USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 422 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 Single : A 7 GLN : amide:sc=-0.00349 X(o=-0.0035,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.868 K(o=-0.87,f=-3.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.925 X(o=-0.93,f=-0.44) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.093 K(o=-0.093,f=-1.5) USER MOD Single : B 12 THR OG1 : rot -7:sc= 0.845 USER MOD Single : B 13 HIS : no HE2:sc= -3.13 K(o=-3.1,f=-1.9) USER MOD Single : B 14 GLN : amide:sc=-0.00397 K(o=-0.004,f=-1.1) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.2) USER MOD Single : B 24 ASN : amide:sc= -2.43 K(o=-2.4,f=-8.1!) USER MOD Single : B 29 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : B 30 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.752 17.971 2.213 1.00 0.00 N ATOM 48 CA GLN A 7 5.878 17.170 1.740 1.00 0.00 C ATOM 49 C GLN A 7 6.219 16.079 2.749 1.00 0.00 C ATOM 50 O GLN A 7 6.524 14.945 2.380 1.00 0.00 O ATOM 51 CB GLN A 7 7.109 18.053 1.526 1.00 0.00 C ATOM 52 CG GLN A 7 7.040 18.699 0.140 1.00 0.00 C ATOM 53 CD GLN A 7 7.667 20.088 0.193 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.750 20.309 -0.349 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.044 21.048 0.821 1.00 0.00 N ATOM 0 HA GLN A 7 5.590 16.711 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.155 18.823 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.017 17.457 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.564 18.080 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.003 18.769 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.147 20.865 1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.455 21.981 0.862 1.00 0.00 H new ATOM 64 N ALA A 8 6.166 16.435 4.029 1.00 0.00 N ATOM 65 CA ALA A 8 6.473 15.478 5.089 1.00 0.00 C ATOM 66 C ALA A 8 5.439 14.357 5.110 1.00 0.00 C ATOM 67 O ALA A 8 5.783 13.175 5.141 1.00 0.00 O ATOM 68 CB ALA A 8 6.482 16.173 6.452 1.00 0.00 C ATOM 0 H ALA A 8 5.916 17.368 4.356 1.00 0.00 H new ATOM 0 HA ALA A 8 7.459 15.059 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.712 15.445 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.238 16.959 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.502 16.611 6.644 1.00 0.00 H new ATOM 74 N GLU A 9 4.166 14.741 5.093 1.00 0.00 N ATOM 75 CA GLU A 9 3.084 13.760 5.111 1.00 0.00 C ATOM 76 C GLU A 9 3.113 12.911 3.844 1.00 0.00 C ATOM 77 O GLU A 9 2.771 11.728 3.863 1.00 0.00 O ATOM 78 CB GLU A 9 1.727 14.461 5.209 1.00 0.00 C ATOM 79 CG GLU A 9 1.518 14.971 6.638 1.00 0.00 C ATOM 80 CD GLU A 9 0.025 15.031 6.941 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.706 15.556 6.119 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.364 14.553 7.994 1.00 0.00 O ATOM 0 H GLU A 9 3.860 15.714 5.067 1.00 0.00 H new ATOM 0 HA GLU A 9 3.226 13.120 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.683 15.292 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.928 13.771 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.018 14.312 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.963 15.959 6.752 1.00 0.00 H new ATOM 89 N GLU A 10 3.526 13.529 2.740 1.00 0.00 N ATOM 90 CA GLU A 10 3.596 12.823 1.464 1.00 0.00 C ATOM 91 C GLU A 10 4.826 11.923 1.419 1.00 0.00 C ATOM 92 O GLU A 10 4.815 10.862 0.798 1.00 0.00 O ATOM 93 CB GLU A 10 3.664 13.817 0.303 1.00 0.00 C ATOM 94 CG GLU A 10 3.005 13.204 -0.934 1.00 0.00 C ATOM 95 CD GLU A 10 1.542 13.629 -0.997 1.00 0.00 C ATOM 96 OE1 GLU A 10 0.791 13.230 -0.124 1.00 0.00 O ATOM 97 OE2 GLU A 10 1.194 14.351 -1.917 1.00 0.00 O ATOM 0 H GLU A 10 3.814 14.507 2.703 1.00 0.00 H new ATOM 0 HA GLU A 10 2.697 12.215 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.160 14.744 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.702 14.070 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.527 13.527 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.077 12.117 -0.896 1.00 0.00 H new ATOM 104 N GLN A 11 5.892 12.361 2.087 1.00 0.00 N ATOM 105 CA GLN A 11 7.130 11.587 2.117 1.00 0.00 C ATOM 106 C GLN A 11 6.894 10.227 2.771 1.00 0.00 C ATOM 107 O GLN A 11 7.522 9.232 2.411 1.00 0.00 O ATOM 108 CB GLN A 11 8.211 12.336 2.902 1.00 0.00 C ATOM 109 CG GLN A 11 9.023 13.210 1.944 1.00 0.00 C ATOM 110 CD GLN A 11 10.224 13.793 2.682 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.142 14.881 3.253 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.346 13.129 2.705 1.00 0.00 N ATOM 0 H GLN A 11 5.924 13.237 2.609 1.00 0.00 H new ATOM 0 HA GLN A 11 7.461 11.443 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.753 12.953 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.866 11.626 3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.358 12.619 1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.400 14.013 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.415 12.228 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.155 13.511 3.196 1.00 0.00 H new ATOM 121 N LYS A 12 5.981 10.200 3.736 1.00 0.00 N ATOM 122 CA LYS A 12 5.665 8.960 4.439 1.00 0.00 C ATOM 123 C LYS A 12 4.547 8.208 3.724 1.00 0.00 C ATOM 124 O LYS A 12 4.585 6.984 3.597 1.00 0.00 O ATOM 125 CB LYS A 12 5.228 9.254 5.875 1.00 0.00 C ATOM 126 CG LYS A 12 6.450 9.240 6.796 1.00 0.00 C ATOM 127 CD LYS A 12 6.265 10.276 7.905 1.00 0.00 C ATOM 128 CE LYS A 12 6.900 11.601 7.478 1.00 0.00 C ATOM 129 NZ LYS A 12 8.310 11.655 7.957 1.00 0.00 N ATOM 0 H LYS A 12 5.451 11.014 4.048 1.00 0.00 H new ATOM 0 HA LYS A 12 6.565 8.345 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.734 10.224 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.503 8.510 6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.581 8.248 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.352 9.460 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.204 10.419 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.724 9.922 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.870 11.698 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.333 12.437 7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.741 12.556 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.327 11.581 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.847 10.865 7.545 1.00 0.00 H new ATOM 143 N LEU A 13 3.550 8.955 3.254 1.00 0.00 N ATOM 144 CA LEU A 13 2.420 8.350 2.551 1.00 0.00 C ATOM 145 C LEU A 13 2.898 7.600 1.309 1.00 0.00 C ATOM 146 O LEU A 13 2.407 6.516 0.994 1.00 0.00 O ATOM 147 CB LEU A 13 1.417 9.424 2.126 1.00 0.00 C ATOM 148 CG LEU A 13 0.399 9.645 3.247 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.389 10.928 2.976 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.565 8.458 3.299 1.00 0.00 C ATOM 0 H LEU A 13 3.501 9.970 3.345 1.00 0.00 H new ATOM 0 HA LEU A 13 1.938 7.650 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.938 10.356 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.907 9.119 1.212 1.00 0.00 H new ATOM 0 HG LEU A 13 0.921 9.734 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.114 11.085 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.297 11.775 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.912 10.840 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.291 8.614 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.087 8.371 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.005 7.543 3.491 1.00 0.00 H new ATOM 162 N ILE A 14 3.863 8.191 0.611 1.00 0.00 N ATOM 163 CA ILE A 14 4.406 7.573 -0.595 1.00 0.00 C ATOM 164 C ILE A 14 5.349 6.429 -0.227 1.00 0.00 C ATOM 165 O ILE A 14 5.271 5.337 -0.788 1.00 0.00 O ATOM 166 CB ILE A 14 5.169 8.610 -1.429 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.227 9.761 -1.792 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.698 7.966 -2.715 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.046 10.968 -2.253 1.00 0.00 C ATOM 0 H ILE A 14 4.282 9.088 0.856 1.00 0.00 H new ATOM 0 HA ILE A 14 3.575 7.181 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 14 6.009 8.987 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.543 9.450 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.617 10.031 -0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.238 8.711 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.370 7.146 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.862 7.582 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.374 11.787 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.711 11.284 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.637 10.694 -3.127 1.00 0.00 H new ATOM 181 N SER A 15 6.246 6.697 0.717 1.00 0.00 N ATOM 182 CA SER A 15 7.212 5.689 1.145 1.00 0.00 C ATOM 183 C SER A 15 6.499 4.447 1.682 1.00 0.00 C ATOM 184 O SER A 15 6.822 3.319 1.307 1.00 0.00 O ATOM 185 CB SER A 15 8.124 6.250 2.236 1.00 0.00 C ATOM 186 OG SER A 15 8.939 5.204 2.749 1.00 0.00 O ATOM 0 H SER A 15 6.325 7.594 1.196 1.00 0.00 H new ATOM 0 HA SER A 15 7.810 5.413 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.747 7.047 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.527 6.687 3.036 1.00 0.00 H new ATOM 0 HG SER A 15 9.527 5.560 3.448 1.00 0.00 H new ATOM 192 N GLU A 16 5.529 4.667 2.563 1.00 0.00 N ATOM 193 CA GLU A 16 4.779 3.559 3.146 1.00 0.00 C ATOM 194 C GLU A 16 3.967 2.840 2.073 1.00 0.00 C ATOM 195 O GLU A 16 3.766 1.627 2.136 1.00 0.00 O ATOM 196 CB GLU A 16 3.829 4.064 4.234 1.00 0.00 C ATOM 197 CG GLU A 16 4.558 4.088 5.581 1.00 0.00 C ATOM 198 CD GLU A 16 5.134 5.478 5.825 1.00 0.00 C ATOM 199 OE1 GLU A 16 6.191 5.764 5.288 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.508 6.237 6.547 1.00 0.00 O ATOM 0 H GLU A 16 5.245 5.592 2.887 1.00 0.00 H new ATOM 0 HA GLU A 16 5.496 2.866 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.472 5.063 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.953 3.418 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.870 3.822 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.356 3.346 5.587 1.00 0.00 H new ATOM 207 N GLU A 17 3.506 3.602 1.086 1.00 0.00 N ATOM 208 CA GLU A 17 2.715 3.029 0.000 1.00 0.00 C ATOM 209 C GLU A 17 3.601 2.196 -0.920 1.00 0.00 C ATOM 210 O GLU A 17 3.205 1.127 -1.387 1.00 0.00 O ATOM 211 CB GLU A 17 2.047 4.136 -0.819 1.00 0.00 C ATOM 212 CG GLU A 17 1.059 3.515 -1.808 1.00 0.00 C ATOM 213 CD GLU A 17 0.621 4.567 -2.820 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.356 5.248 -2.551 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.268 4.679 -3.847 1.00 0.00 O ATOM 0 H GLU A 17 3.664 4.607 1.015 1.00 0.00 H new ATOM 0 HA GLU A 17 1.948 2.393 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.528 4.829 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.801 4.712 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.523 2.673 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.192 3.125 -1.275 1.00 0.00 H new ATOM 222 N ASP A 18 4.806 2.698 -1.177 1.00 0.00 N ATOM 223 CA ASP A 18 5.746 1.991 -2.043 1.00 0.00 C ATOM 224 C ASP A 18 6.109 0.636 -1.447 1.00 0.00 C ATOM 225 O ASP A 18 6.189 -0.369 -2.154 1.00 0.00 O ATOM 226 CB ASP A 18 7.024 2.812 -2.229 1.00 0.00 C ATOM 227 CG ASP A 18 7.757 2.339 -3.479 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.356 1.277 -3.424 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.706 3.044 -4.474 1.00 0.00 O ATOM 0 H ASP A 18 5.152 3.582 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 18 5.264 1.844 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.779 3.870 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.667 2.706 -1.356 1.00 0.00 H new ATOM 234 N LEU A 19 6.323 0.620 -0.134 1.00 0.00 N ATOM 235 CA LEU A 19 6.676 -0.619 0.555 1.00 0.00 C ATOM 236 C LEU A 19 5.551 -1.641 0.418 1.00 0.00 C ATOM 237 O LEU A 19 5.779 -2.792 0.046 1.00 0.00 O ATOM 238 CB LEU A 19 6.930 -0.353 2.040 1.00 0.00 C ATOM 239 CG LEU A 19 7.874 -1.419 2.597 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.746 -0.807 3.694 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.052 -2.571 3.181 1.00 0.00 C ATOM 0 H LEU A 19 6.259 1.440 0.469 1.00 0.00 H new ATOM 0 HA LEU A 19 7.584 -1.012 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.365 0.638 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.988 -0.364 2.588 1.00 0.00 H new ATOM 0 HG LEU A 19 8.511 -1.795 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.419 -1.567 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.331 0.014 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.111 -0.430 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.723 -3.332 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.416 -2.194 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.431 -3.008 2.399 1.00 0.00 H new ATOM 253 N LEU A 20 4.332 -1.203 0.721 1.00 0.00 N ATOM 254 CA LEU A 20 3.172 -2.084 0.628 1.00 0.00 C ATOM 255 C LEU A 20 2.937 -2.502 -0.821 1.00 0.00 C ATOM 256 O LEU A 20 2.466 -3.606 -1.095 1.00 0.00 O ATOM 257 CB LEU A 20 1.920 -1.378 1.156 1.00 0.00 C ATOM 258 CG LEU A 20 1.741 -1.694 2.642 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.734 -0.721 3.255 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.225 -3.127 2.799 1.00 0.00 C ATOM 0 H LEU A 20 4.123 -0.254 1.030 1.00 0.00 H new ATOM 0 HA LEU A 20 3.370 -2.969 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.009 -0.301 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.043 -1.704 0.596 1.00 0.00 H new ATOM 0 HG LEU A 20 2.699 -1.593 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.607 -0.947 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.100 0.300 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.225 -0.821 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.097 -3.354 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.267 -3.227 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.943 -3.822 2.363 1.00 0.00 H new ATOM 272 N ARG A 21 3.273 -1.606 -1.747 1.00 0.00 N ATOM 273 CA ARG A 21 3.097 -1.889 -3.169 1.00 0.00 C ATOM 274 C ARG A 21 3.937 -3.095 -3.578 1.00 0.00 C ATOM 275 O ARG A 21 3.517 -3.916 -4.393 1.00 0.00 O ATOM 276 CB ARG A 21 3.516 -0.682 -4.011 1.00 0.00 C ATOM 277 CG ARG A 21 2.314 0.240 -4.217 1.00 0.00 C ATOM 278 CD ARG A 21 2.796 1.685 -4.360 1.00 0.00 C ATOM 279 NE ARG A 21 3.689 1.819 -5.513 1.00 0.00 N ATOM 280 CZ ARG A 21 4.056 3.015 -5.994 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.630 4.130 -5.446 1.00 0.00 N ATOM 282 NH2 ARG A 21 4.854 3.074 -7.025 1.00 0.00 N ATOM 0 H ARG A 21 3.665 -0.687 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 21 2.042 -2.103 -3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.321 -0.141 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.902 -1.014 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.761 -0.060 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.629 0.156 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.940 2.350 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.316 1.992 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 21 4.043 0.975 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.008 4.096 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.922 5.030 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.193 2.215 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.139 3.979 -7.398 1.00 0.00 H new ATOM 296 N LYS A 22 5.130 -3.192 -2.997 1.00 0.00 N ATOM 297 CA LYS A 22 6.028 -4.303 -3.302 1.00 0.00 C ATOM 298 C LYS A 22 5.497 -5.602 -2.700 1.00 0.00 C ATOM 299 O LYS A 22 5.738 -6.689 -3.226 1.00 0.00 O ATOM 300 CB LYS A 22 7.424 -4.030 -2.741 1.00 0.00 C ATOM 301 CG LYS A 22 8.214 -3.167 -3.729 1.00 0.00 C ATOM 302 CD LYS A 22 9.711 -3.427 -3.552 1.00 0.00 C ATOM 303 CE LYS A 22 10.473 -2.852 -4.748 1.00 0.00 C ATOM 304 NZ LYS A 22 11.830 -3.462 -4.811 1.00 0.00 N ATOM 0 H LYS A 22 5.495 -2.523 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 22 6.083 -4.402 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.348 -3.523 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.947 -4.970 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.913 -3.397 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.995 -2.112 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.064 -2.969 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.898 -4.498 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.929 -3.053 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.553 -1.769 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.349 -3.072 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.348 -3.248 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.743 -4.493 -4.919 1.00 0.00 H new ATOM 318 N ARG A 23 4.772 -5.480 -1.591 1.00 0.00 N ATOM 319 CA ARG A 23 4.213 -6.654 -0.926 1.00 0.00 C ATOM 320 C ARG A 23 2.962 -7.135 -1.658 1.00 0.00 C ATOM 321 O ARG A 23 2.673 -8.331 -1.701 1.00 0.00 O ATOM 322 CB ARG A 23 3.854 -6.321 0.529 1.00 0.00 C ATOM 323 CG ARG A 23 4.315 -7.455 1.453 1.00 0.00 C ATOM 324 CD ARG A 23 3.553 -8.741 1.121 1.00 0.00 C ATOM 325 NE ARG A 23 4.394 -9.652 0.341 1.00 0.00 N ATOM 326 CZ ARG A 23 5.494 -10.223 0.855 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.866 -9.991 2.092 1.00 0.00 N ATOM 328 NH2 ARG A 23 6.206 -11.026 0.112 1.00 0.00 N ATOM 0 H ARG A 23 4.559 -4.591 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 23 4.964 -7.444 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.327 -5.384 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.778 -6.178 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.387 -7.617 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.145 -7.180 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.235 -9.230 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.650 -8.501 0.560 1.00 0.00 H new ATOM 0 HE ARG A 23 4.135 -9.859 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.315 -9.367 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.706 -10.435 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.924 -11.214 -0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.044 -11.465 0.493 1.00 0.00 H new ATOM 342 N ARG A 24 2.225 -6.189 -2.235 1.00 0.00 N ATOM 343 CA ARG A 24 1.003 -6.526 -2.963 1.00 0.00 C ATOM 344 C ARG A 24 1.340 -7.168 -4.307 1.00 0.00 C ATOM 345 O ARG A 24 0.803 -8.218 -4.660 1.00 0.00 O ATOM 346 CB ARG A 24 0.161 -5.273 -3.209 1.00 0.00 C ATOM 347 CG ARG A 24 -1.203 -5.676 -3.776 1.00 0.00 C ATOM 348 CD ARG A 24 -2.190 -4.518 -3.617 1.00 0.00 C ATOM 349 NE ARG A 24 -3.123 -4.477 -4.745 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.762 -4.022 -5.954 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.543 -3.593 -6.182 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.638 -4.005 -6.920 1.00 0.00 N ATOM 0 H ARG A 24 2.448 -5.194 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 24 0.436 -7.231 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.031 -4.721 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.674 -4.608 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.106 -5.942 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.577 -6.559 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.743 -4.630 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.646 -3.576 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.079 -4.805 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.851 -3.602 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.288 -3.251 -7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.588 -4.336 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.373 -3.661 -7.843 1.00 0.00 H new ATOM 366 N GLU A 25 2.235 -6.523 -5.051 1.00 0.00 N ATOM 367 CA GLU A 25 2.638 -7.036 -6.360 1.00 0.00 C ATOM 368 C GLU A 25 3.243 -8.431 -6.229 1.00 0.00 C ATOM 369 O GLU A 25 3.130 -9.259 -7.134 1.00 0.00 O ATOM 370 CB GLU A 25 3.666 -6.105 -7.009 1.00 0.00 C ATOM 371 CG GLU A 25 4.842 -5.879 -6.050 1.00 0.00 C ATOM 372 CD GLU A 25 6.032 -6.732 -6.480 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.806 -7.817 -6.989 1.00 0.00 O ATOM 374 OE2 GLU A 25 7.153 -6.287 -6.293 1.00 0.00 O ATOM 0 H GLU A 25 2.691 -5.654 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 25 1.747 -7.086 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.024 -6.539 -7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.200 -5.152 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.121 -4.825 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.548 -6.136 -5.032 1.00 0.00 H new ATOM 381 N GLN A 26 3.883 -8.685 -5.092 1.00 0.00 N ATOM 382 CA GLN A 26 4.501 -9.985 -4.850 1.00 0.00 C ATOM 383 C GLN A 26 3.429 -11.063 -4.705 1.00 0.00 C ATOM 384 O GLN A 26 3.537 -12.148 -5.276 1.00 0.00 O ATOM 385 CB GLN A 26 5.348 -9.949 -3.575 1.00 0.00 C ATOM 386 CG GLN A 26 6.390 -11.069 -3.624 1.00 0.00 C ATOM 387 CD GLN A 26 7.669 -10.603 -2.935 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.618 -9.968 -1.882 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.823 -10.886 -3.471 1.00 0.00 N ATOM 0 H GLN A 26 3.987 -8.015 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 26 5.140 -10.218 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.842 -8.982 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.711 -10.068 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.004 -11.962 -3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.600 -11.341 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.865 -11.412 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.684 -10.581 -3.018 1.00 0.00 H new ATOM 398 N LEU A 27 2.392 -10.747 -3.934 1.00 0.00 N ATOM 399 CA LEU A 27 1.300 -11.694 -3.717 1.00 0.00 C ATOM 400 C LEU A 27 0.579 -11.981 -5.031 1.00 0.00 C ATOM 401 O LEU A 27 0.224 -13.123 -5.324 1.00 0.00 O ATOM 402 CB LEU A 27 0.295 -11.132 -2.711 1.00 0.00 C ATOM 403 CG LEU A 27 1.014 -10.805 -1.400 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.256 -9.699 -0.662 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.065 -12.058 -0.522 1.00 0.00 C ATOM 0 H LEU A 27 2.284 -9.854 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 27 1.727 -12.617 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.176 -10.235 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.500 -11.856 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 27 2.028 -10.468 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.769 -9.467 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.216 -8.806 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.758 -10.035 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.577 -11.827 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.050 -12.393 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.604 -12.847 -1.046 1.00 0.00 H new ATOM 417 N LYS A 28 0.367 -10.930 -5.818 1.00 0.00 N ATOM 418 CA LYS A 28 -0.312 -11.075 -7.102 1.00 0.00 C ATOM 419 C LYS A 28 0.489 -11.984 -8.029 1.00 0.00 C ATOM 420 O LYS A 28 -0.074 -12.756 -8.806 1.00 0.00 O ATOM 421 CB LYS A 28 -0.491 -9.711 -7.772 1.00 0.00 C ATOM 422 CG LYS A 28 -1.705 -9.753 -8.702 1.00 0.00 C ATOM 423 CD LYS A 28 -1.622 -8.601 -9.703 1.00 0.00 C ATOM 424 CE LYS A 28 -3.020 -8.284 -10.236 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.061 -6.874 -10.717 1.00 0.00 N ATOM 0 H LYS A 28 0.652 -9.977 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.291 -11.518 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.626 -8.938 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.404 -9.452 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.739 -10.706 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.624 -9.678 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.196 -7.720 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.960 -8.868 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.274 -8.964 -11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.762 -8.434 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.012 -6.658 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.837 -6.232 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.363 -6.746 -11.478 1.00 0.00 H new ATOM 439 N HIS A 29 1.811 -11.884 -7.938 1.00 0.00 N ATOM 440 CA HIS A 29 2.687 -12.701 -8.773 1.00 0.00 C ATOM 441 C HIS A 29 2.482 -14.181 -8.470 1.00 0.00 C ATOM 442 O HIS A 29 2.569 -15.030 -9.357 1.00 0.00 O ATOM 443 CB HIS A 29 4.153 -12.340 -8.526 1.00 0.00 C ATOM 444 CG HIS A 29 4.514 -11.124 -9.335 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.128 -10.973 -10.656 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.225 -9.993 -9.021 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.606 -9.791 -11.086 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.281 -9.151 -10.129 1.00 0.00 N ATOM 0 H HIS A 29 2.297 -11.252 -7.301 1.00 0.00 H new ATOM 0 HA HIS A 29 2.437 -12.505 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.317 -12.146 -7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.796 -13.176 -8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.673 -9.787 -8.060 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.461 -9.407 -12.085 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.739 -8.242 -10.195 1.00 0.00 H new ATOM 647 N LYS B 9 -3.812 14.102 -3.645 1.00 0.00 N ATOM 648 CA LYS B 9 -2.668 13.209 -3.479 1.00 0.00 C ATOM 649 C LYS B 9 -2.753 12.477 -2.143 1.00 0.00 C ATOM 650 O LYS B 9 -2.584 11.261 -2.072 1.00 0.00 O ATOM 651 CB LYS B 9 -1.358 13.999 -3.531 1.00 0.00 C ATOM 652 CG LYS B 9 -0.900 14.135 -4.983 1.00 0.00 C ATOM 653 CD LYS B 9 0.398 14.946 -5.036 1.00 0.00 C ATOM 654 CE LYS B 9 1.294 14.407 -6.152 1.00 0.00 C ATOM 655 NZ LYS B 9 2.712 14.764 -5.865 1.00 0.00 N ATOM 0 HA LYS B 9 -2.687 12.485 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.498 14.986 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.592 13.493 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.743 13.149 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.673 14.626 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.174 15.998 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.916 14.886 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.188 13.325 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.989 14.825 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 3.322 14.398 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.806 15.798 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 2.999 14.345 -4.957 1.00 0.00 H new ATOM 669 N ASN B 10 -3.015 13.237 -1.083 1.00 0.00 N ATOM 670 CA ASN B 10 -3.119 12.655 0.253 1.00 0.00 C ATOM 671 C ASN B 10 -4.264 11.647 0.309 1.00 0.00 C ATOM 672 O ASN B 10 -4.133 10.571 0.892 1.00 0.00 O ATOM 673 CB ASN B 10 -3.365 13.748 1.294 1.00 0.00 C ATOM 674 CG ASN B 10 -2.031 14.319 1.759 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.373 13.749 2.630 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.586 15.423 1.224 1.00 0.00 N ATOM 0 H ASN B 10 -3.158 14.246 -1.121 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.179 12.148 0.474 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.982 14.539 0.867 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.913 13.339 2.143 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.694 15.813 1.527 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.130 15.896 0.502 1.00 0.00 H new ATOM 683 N ASP B 11 -5.387 12.009 -0.305 1.00 0.00 N ATOM 684 CA ASP B 11 -6.552 11.128 -0.319 1.00 0.00 C ATOM 685 C ASP B 11 -6.225 9.827 -1.045 1.00 0.00 C ATOM 686 O ASP B 11 -6.532 8.736 -0.565 1.00 0.00 O ATOM 687 CB ASP B 11 -7.731 11.809 -1.019 1.00 0.00 C ATOM 688 CG ASP B 11 -8.989 10.968 -0.834 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.339 10.704 0.304 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.583 10.598 -1.834 1.00 0.00 O ATOM 0 H ASP B 11 -5.515 12.895 -0.794 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.823 10.910 0.714 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.884 12.807 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.516 11.931 -2.080 1.00 0.00 H new ATOM 695 N THR B 12 -5.596 9.955 -2.210 1.00 0.00 N ATOM 696 CA THR B 12 -5.229 8.781 -2.998 1.00 0.00 C ATOM 697 C THR B 12 -4.245 7.909 -2.225 1.00 0.00 C ATOM 698 O THR B 12 -4.244 6.685 -2.351 1.00 0.00 O ATOM 699 CB THR B 12 -4.590 9.201 -4.323 1.00 0.00 C ATOM 700 OG1 THR B 12 -3.519 10.099 -4.067 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.635 9.888 -5.203 1.00 0.00 C ATOM 0 H THR B 12 -5.332 10.848 -2.626 1.00 0.00 H new ATOM 0 HA THR B 12 -6.138 8.214 -3.200 1.00 0.00 H new ATOM 0 HB THR B 12 -4.210 8.319 -4.838 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.508 10.333 -3.115 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.177 10.186 -6.146 1.00 0.00 H new ATOM 0 HG22 THR B 12 -6.455 9.198 -5.400 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.018 10.770 -4.691 1.00 0.00 H new ATOM 709 N HIS B 13 -3.406 8.557 -1.419 1.00 0.00 N ATOM 710 CA HIS B 13 -2.417 7.833 -0.625 1.00 0.00 C ATOM 711 C HIS B 13 -3.103 7.044 0.485 1.00 0.00 C ATOM 712 O HIS B 13 -2.724 5.915 0.792 1.00 0.00 O ATOM 713 CB HIS B 13 -1.416 8.805 0.002 1.00 0.00 C ATOM 714 CG HIS B 13 -0.437 9.263 -1.043 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.259 8.373 -1.846 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.024 10.514 -1.427 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.046 9.093 -2.664 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.913 10.405 -2.452 1.00 0.00 N ATOM 0 H HIS B 13 -3.391 9.570 -1.299 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.889 7.148 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.941 9.662 0.424 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.887 8.320 0.823 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.187 7.356 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.373 11.442 -0.999 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.706 8.663 -3.403 1.00 0.00 H new ATOM 726 N GLN B 14 -4.120 7.657 1.083 1.00 0.00 N ATOM 727 CA GLN B 14 -4.860 7.010 2.163 1.00 0.00 C ATOM 728 C GLN B 14 -5.585 5.771 1.646 1.00 0.00 C ATOM 729 O GLN B 14 -5.503 4.694 2.237 1.00 0.00 O ATOM 730 CB GLN B 14 -5.887 7.975 2.760 1.00 0.00 C ATOM 731 CG GLN B 14 -6.101 7.643 4.238 1.00 0.00 C ATOM 732 CD GLN B 14 -6.947 8.732 4.887 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.805 9.911 4.565 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.827 8.406 5.793 1.00 0.00 N ATOM 0 H GLN B 14 -4.449 8.592 0.842 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.145 6.718 2.932 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.540 9.003 2.654 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.830 7.899 2.219 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.595 6.677 4.337 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.140 7.563 4.746 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.945 7.429 6.061 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -8.397 9.128 6.234 1.00 0.00 H new ATOM 743 N GLN B 15 -6.299 5.938 0.535 1.00 0.00 N ATOM 744 CA GLN B 15 -7.039 4.827 -0.056 1.00 0.00 C ATOM 745 C GLN B 15 -6.087 3.715 -0.481 1.00 0.00 C ATOM 746 O GLN B 15 -6.325 2.539 -0.212 1.00 0.00 O ATOM 747 CB GLN B 15 -7.830 5.300 -1.278 1.00 0.00 C ATOM 748 CG GLN B 15 -8.794 6.413 -0.864 1.00 0.00 C ATOM 749 CD GLN B 15 -10.108 5.799 -0.396 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.992 5.518 -1.205 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.293 5.573 0.876 1.00 0.00 N ATOM 0 H GLN B 15 -6.380 6.821 0.031 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.728 4.445 0.698 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.148 5.663 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.384 4.467 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.355 7.011 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.973 7.085 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.561 5.806 1.547 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.170 5.164 1.199 1.00 0.00 H new ATOM 760 N ASP B 16 -5.001 4.101 -1.147 1.00 0.00 N ATOM 761 CA ASP B 16 -4.013 3.128 -1.609 1.00 0.00 C ATOM 762 C ASP B 16 -3.431 2.354 -0.429 1.00 0.00 C ATOM 763 O ASP B 16 -3.244 1.141 -0.495 1.00 0.00 O ATOM 764 CB ASP B 16 -2.875 3.831 -2.352 1.00 0.00 C ATOM 765 CG ASP B 16 -2.231 2.858 -3.335 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.828 2.608 -4.368 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.149 2.379 -3.039 1.00 0.00 O ATOM 0 H ASP B 16 -4.784 5.071 -1.377 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.516 2.436 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.257 4.702 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.131 4.192 -1.642 1.00 0.00 H new ATOM 772 N ILE B 17 -3.151 3.075 0.652 1.00 0.00 N ATOM 773 CA ILE B 17 -2.594 2.453 1.851 1.00 0.00 C ATOM 774 C ILE B 17 -3.573 1.421 2.414 1.00 0.00 C ATOM 775 O ILE B 17 -3.366 0.213 2.300 1.00 0.00 O ATOM 776 CB ILE B 17 -2.291 3.537 2.918 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.964 4.236 2.580 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.207 2.933 4.337 1.00 0.00 C ATOM 779 CD1 ILE B 17 0.194 3.229 2.600 1.00 0.00 C ATOM 0 H ILE B 17 -3.298 4.082 0.724 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.666 1.947 1.586 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.109 4.257 2.906 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.032 4.702 1.597 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.773 5.033 3.298 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.993 3.723 5.057 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.157 2.460 4.588 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.412 2.188 4.369 1.00 0.00 H new ATOM 0 HD11 ILE B 17 1.126 3.741 2.359 1.00 0.00 H new ATOM 0 HD12 ILE B 17 0.271 2.783 3.592 1.00 0.00 H new ATOM 0 HD13 ILE B 17 0.009 2.447 1.864 1.00 0.00 H new ATOM 791 N ASP B 18 -4.625 1.928 3.055 1.00 0.00 N ATOM 792 CA ASP B 18 -5.630 1.071 3.684 1.00 0.00 C ATOM 793 C ASP B 18 -6.055 -0.080 2.764 1.00 0.00 C ATOM 794 O ASP B 18 -6.391 -1.170 3.227 1.00 0.00 O ATOM 795 CB ASP B 18 -6.866 1.897 4.058 1.00 0.00 C ATOM 796 CG ASP B 18 -6.768 2.338 5.516 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.763 2.931 5.871 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.702 2.073 6.258 1.00 0.00 O ATOM 0 H ASP B 18 -4.804 2.927 3.153 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.178 0.645 4.580 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.943 2.769 3.409 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.770 1.306 3.907 1.00 0.00 H new ATOM 803 N ASP B 19 -6.033 0.176 1.458 1.00 0.00 N ATOM 804 CA ASP B 19 -6.415 -0.848 0.489 1.00 0.00 C ATOM 805 C ASP B 19 -5.339 -1.927 0.410 1.00 0.00 C ATOM 806 O ASP B 19 -5.637 -3.113 0.281 1.00 0.00 O ATOM 807 CB ASP B 19 -6.609 -0.231 -0.898 1.00 0.00 C ATOM 808 CG ASP B 19 -7.201 -1.272 -1.843 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.472 -2.166 -2.240 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.376 -1.162 -2.152 1.00 0.00 O ATOM 0 H ASP B 19 -5.759 1.070 1.051 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.354 -1.292 0.819 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.270 0.634 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.655 0.125 -1.285 1.00 0.00 H new ATOM 815 N LEU B 20 -4.083 -1.498 0.493 1.00 0.00 N ATOM 816 CA LEU B 20 -2.962 -2.432 0.436 1.00 0.00 C ATOM 817 C LEU B 20 -3.006 -3.385 1.625 1.00 0.00 C ATOM 818 O LEU B 20 -2.878 -4.599 1.472 1.00 0.00 O ATOM 819 CB LEU B 20 -1.631 -1.676 0.456 1.00 0.00 C ATOM 820 CG LEU B 20 -1.403 -1.000 -0.895 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.561 0.260 -0.699 1.00 0.00 C ATOM 822 CD2 LEU B 20 -0.666 -1.964 -1.829 1.00 0.00 C ATOM 0 H LEU B 20 -3.817 -0.519 0.599 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.043 -2.999 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.637 -0.930 1.251 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -0.814 -2.364 0.672 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.364 -0.731 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.398 0.742 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.083 0.947 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.400 -0.009 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -0.503 -1.483 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU B 20 0.295 -2.233 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.265 -2.864 -1.969 1.00 0.00 H new ATOM 834 N LYS B 21 -3.184 -2.816 2.813 1.00 0.00 N ATOM 835 CA LYS B 21 -3.240 -3.617 4.033 1.00 0.00 C ATOM 836 C LYS B 21 -4.468 -4.522 4.026 1.00 0.00 C ATOM 837 O LYS B 21 -4.451 -5.621 4.583 1.00 0.00 O ATOM 838 CB LYS B 21 -3.296 -2.711 5.264 1.00 0.00 C ATOM 839 CG LYS B 21 -1.901 -2.151 5.549 1.00 0.00 C ATOM 840 CD LYS B 21 -1.739 -1.924 7.053 1.00 0.00 C ATOM 841 CE LYS B 21 -1.128 -3.172 7.694 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.326 -2.776 8.886 1.00 0.00 N ATOM 0 H LYS B 21 -3.291 -1.812 2.958 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.340 -4.231 4.072 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.000 -1.896 5.097 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.657 -3.272 6.126 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.139 -2.844 5.191 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.757 -1.214 5.012 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.101 -1.059 7.234 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.707 -1.706 7.505 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.916 -3.866 7.987 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.496 -3.692 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.090 -3.624 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.434 -2.129 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.941 -2.298 9.575 1.00 0.00 H new ATOM 856 N ARG B 22 -5.537 -4.049 3.390 1.00 0.00 N ATOM 857 CA ARG B 22 -6.773 -4.824 3.321 1.00 0.00 C ATOM 858 C ARG B 22 -6.666 -5.909 2.251 1.00 0.00 C ATOM 859 O ARG B 22 -7.126 -7.034 2.441 1.00 0.00 O ATOM 860 CB ARG B 22 -7.958 -3.915 2.990 1.00 0.00 C ATOM 861 CG ARG B 22 -9.248 -4.543 3.519 1.00 0.00 C ATOM 862 CD ARG B 22 -9.502 -4.061 4.949 1.00 0.00 C ATOM 863 NE ARG B 22 -10.938 -4.039 5.239 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.635 -5.159 5.474 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.058 -6.337 5.455 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.913 -5.076 5.725 1.00 0.00 N ATOM 0 H ARG B 22 -5.573 -3.144 2.920 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.932 -5.288 4.294 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.811 -2.931 3.436 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.028 -3.769 1.912 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.087 -4.271 2.878 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.171 -5.630 3.499 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.993 -4.717 5.655 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.083 -3.063 5.082 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.423 -3.142 5.263 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.060 -6.413 5.259 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.607 -7.177 5.637 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.372 -4.165 5.741 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.453 -5.922 5.905 1.00 0.00 H new ATOM 880 N GLN B 23 -6.057 -5.554 1.122 1.00 0.00 N ATOM 881 CA GLN B 23 -5.897 -6.504 0.025 1.00 0.00 C ATOM 882 C GLN B 23 -4.782 -7.499 0.336 1.00 0.00 C ATOM 883 O GLN B 23 -4.952 -8.710 0.189 1.00 0.00 O ATOM 884 CB GLN B 23 -5.565 -5.771 -1.275 1.00 0.00 C ATOM 885 CG GLN B 23 -6.860 -5.415 -2.009 1.00 0.00 C ATOM 886 CD GLN B 23 -7.470 -6.681 -2.602 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.556 -7.100 -2.202 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.831 -7.319 -3.543 1.00 0.00 N ATOM 0 H GLN B 23 -5.671 -4.627 0.944 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.838 -7.041 -0.093 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.997 -4.866 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.937 -6.398 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.564 -4.947 -1.321 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.657 -4.692 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.931 -6.972 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.231 -8.165 -3.948 1.00 0.00 H new ATOM 897 N ASN B 24 -3.638 -6.973 0.762 1.00 0.00 N ATOM 898 CA ASN B 24 -2.495 -7.821 1.091 1.00 0.00 C ATOM 899 C ASN B 24 -2.843 -8.773 2.232 1.00 0.00 C ATOM 900 O ASN B 24 -2.436 -9.935 2.237 1.00 0.00 O ATOM 901 CB ASN B 24 -1.295 -6.966 1.507 1.00 0.00 C ATOM 902 CG ASN B 24 -0.862 -6.081 0.341 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.616 -5.880 -0.613 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.321 -5.530 0.363 1.00 0.00 N ATOM 0 H ASN B 24 -3.477 -5.974 0.887 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.241 -8.398 0.202 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.557 -6.349 2.366 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.469 -7.607 1.815 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.620 -4.934 -0.409 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.946 -5.695 1.152 1.00 0.00 H new ATOM 911 N ALA B 25 -3.604 -8.266 3.199 1.00 0.00 N ATOM 912 CA ALA B 25 -4.004 -9.078 4.346 1.00 0.00 C ATOM 913 C ALA B 25 -4.834 -10.273 3.890 1.00 0.00 C ATOM 914 O ALA B 25 -4.572 -11.412 4.276 1.00 0.00 O ATOM 915 CB ALA B 25 -4.829 -8.246 5.329 1.00 0.00 C ATOM 0 H ALA B 25 -3.953 -7.308 3.213 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.099 -9.431 4.839 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.119 -8.866 6.177 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.234 -7.404 5.682 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.724 -7.874 4.829 1.00 0.00 H new ATOM 921 N LEU B 26 -5.838 -10.000 3.062 1.00 0.00 N ATOM 922 CA LEU B 26 -6.706 -11.060 2.554 1.00 0.00 C ATOM 923 C LEU B 26 -5.956 -11.937 1.553 1.00 0.00 C ATOM 924 O LEU B 26 -6.252 -13.122 1.402 1.00 0.00 O ATOM 925 CB LEU B 26 -7.936 -10.461 1.868 1.00 0.00 C ATOM 926 CG LEU B 26 -9.034 -10.223 2.905 1.00 0.00 C ATOM 927 CD1 LEU B 26 -8.784 -8.894 3.618 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.394 -10.177 2.205 1.00 0.00 C ATOM 0 H LEU B 26 -6.070 -9.064 2.730 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.021 -11.669 3.402 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.672 -9.523 1.380 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.296 -11.135 1.090 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.026 -11.033 3.634 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.567 -8.725 4.357 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -7.815 -8.925 4.116 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.791 -8.083 2.889 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.178 -10.007 2.943 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.401 -9.367 1.476 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.574 -11.124 1.696 1.00 0.00 H new ATOM 940 N LEU B 27 -4.981 -11.343 0.869 1.00 0.00 N ATOM 941 CA LEU B 27 -4.198 -12.083 -0.116 1.00 0.00 C ATOM 942 C LEU B 27 -3.249 -13.057 0.577 1.00 0.00 C ATOM 943 O LEU B 27 -3.173 -14.231 0.220 1.00 0.00 O ATOM 944 CB LEU B 27 -3.380 -11.121 -0.982 1.00 0.00 C ATOM 945 CG LEU B 27 -4.204 -10.709 -2.201 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.543 -9.508 -2.882 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.273 -11.877 -3.187 1.00 0.00 C ATOM 0 H LEU B 27 -4.717 -10.364 0.977 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.892 -12.639 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.102 -10.240 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.454 -11.599 -1.300 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.211 -10.439 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.131 -9.214 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.491 -8.675 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.536 -9.778 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.861 -11.584 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.265 -12.146 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.742 -12.734 -2.704 1.00 0.00 H new ATOM 959 N GLU B 28 -2.521 -12.552 1.571 1.00 0.00 N ATOM 960 CA GLU B 28 -1.567 -13.381 2.312 1.00 0.00 C ATOM 961 C GLU B 28 -2.257 -14.600 2.925 1.00 0.00 C ATOM 962 O GLU B 28 -1.782 -15.727 2.792 1.00 0.00 O ATOM 963 CB GLU B 28 -0.910 -12.567 3.429 1.00 0.00 C ATOM 964 CG GLU B 28 0.230 -13.375 4.050 1.00 0.00 C ATOM 965 CD GLU B 28 1.349 -12.432 4.482 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.631 -11.504 3.743 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.907 -12.652 5.544 1.00 0.00 O ATOM 0 H GLU B 28 -2.571 -11.582 1.881 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.808 -13.720 1.607 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.528 -11.627 3.031 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.647 -12.315 4.191 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.136 -13.939 4.908 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.609 -14.100 3.330 1.00 0.00 H new ATOM 974 N GLN B 29 -3.381 -14.362 3.600 1.00 0.00 N ATOM 975 CA GLN B 29 -4.123 -15.457 4.230 1.00 0.00 C ATOM 976 C GLN B 29 -4.533 -16.497 3.190 1.00 0.00 C ATOM 977 O GLN B 29 -4.621 -17.689 3.483 1.00 0.00 O ATOM 978 CB GLN B 29 -5.376 -14.928 4.935 1.00 0.00 C ATOM 979 CG GLN B 29 -6.238 -14.149 3.941 1.00 0.00 C ATOM 980 CD GLN B 29 -7.582 -13.822 4.581 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.674 -12.935 5.430 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.642 -14.493 4.221 1.00 0.00 N ATOM 0 H GLN B 29 -3.794 -13.438 3.725 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.467 -15.922 4.966 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.946 -15.757 5.354 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.092 -14.284 5.767 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.731 -13.231 3.645 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.388 -14.736 3.035 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.566 -15.228 3.518 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.546 -14.283 4.643 1.00 0.00 H new ATOM 991 N GLN B 30 -4.771 -16.032 1.964 1.00 0.00 N ATOM 992 CA GLN B 30 -5.158 -16.932 0.882 1.00 0.00 C ATOM 993 C GLN B 30 -3.916 -17.574 0.271 1.00 0.00 C ATOM 994 O GLN B 30 -3.932 -18.732 -0.145 1.00 0.00 O ATOM 995 CB GLN B 30 -5.914 -16.170 -0.208 1.00 0.00 C ATOM 996 CG GLN B 30 -6.864 -17.125 -0.935 1.00 0.00 C ATOM 997 CD GLN B 30 -8.039 -17.464 -0.025 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.537 -16.604 0.702 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.517 -18.679 -0.023 1.00 0.00 N ATOM 0 H GLN B 30 -4.703 -15.049 1.699 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.808 -17.703 1.295 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.476 -15.347 0.233 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.210 -15.732 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.224 -16.666 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.335 -18.035 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.104 -19.391 -0.626 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.304 -18.917 0.581 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.833 -16.800 0.232 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.572 -17.287 -0.319 1.00 0.00 C ATOM 1010 C VAL B 31 -0.938 -18.299 0.635 1.00 0.00 C ATOM 1011 O VAL B 31 -0.270 -19.242 0.209 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.610 -16.107 -0.543 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.718 -16.607 -1.122 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.244 -15.110 -1.519 1.00 0.00 C ATOM 0 H VAL B 31 -2.804 -15.839 0.573 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.768 -17.776 -1.273 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.420 -15.620 0.414 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.389 -15.762 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.175 -17.312 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.535 -17.103 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.563 -14.274 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.439 -15.606 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.182 -14.741 -1.104 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.155 -18.092 1.931 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.601 -18.991 2.939 1.00 0.00 C ATOM 1026 C ARG B 32 -1.379 -20.303 2.968 1.00 0.00 C ATOM 1027 O ARG B 32 -0.806 -21.379 3.132 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.662 -18.345 4.325 1.00 0.00 C ATOM 1029 CG ARG B 32 0.391 -18.983 5.234 1.00 0.00 C ATOM 1030 CD ARG B 32 0.798 -17.988 6.321 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.163 -18.011 7.427 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.186 -19.002 8.330 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.656 -20.005 8.262 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -1.065 -18.967 9.295 1.00 0.00 N ATOM 0 H ARG B 32 -1.704 -17.318 2.305 1.00 0.00 H new ATOM 0 HA ARG B 32 0.438 -19.190 2.677 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.487 -17.272 4.246 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.655 -18.475 4.755 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.007 -19.891 5.688 1.00 0.00 H new ATOM 0 HG3 ARG B 32 1.263 -19.275 4.649 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.793 -18.233 6.692 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.853 -16.984 5.900 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.836 -17.249 7.513 1.00 0.00 H new ATOM 0 HH11 ARG B 32 1.346 -20.042 7.512 1.00 0.00 H new ATOM 0 HH12 ARG B 32 0.621 -20.748 8.960 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -1.725 -18.191 9.356 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -1.092 -19.715 9.988 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.697 -20.199 2.807 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.552 -21.383 2.816 1.00 0.00 C ATOM 1050 C ALA B 33 -3.266 -22.255 1.598 1.00 0.00 C ATOM 1051 O ALA B 33 -3.013 -23.453 1.720 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.026 -20.979 2.805 1.00 0.00 C ATOM 0 H ALA B 33 -3.191 -19.317 2.670 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.338 -21.946 3.724 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.649 -21.874 2.812 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.245 -20.378 3.687 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.237 -20.397 1.908 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.310 -21.638 0.421 1.00 0.00 N ATOM 1059 CA LEU B 34 -3.056 -22.364 -0.820 1.00 0.00 C ATOM 1060 C LEU B 34 -1.564 -22.641 -0.979 1.00 0.00 C ATOM 1061 O LEU B 34 -0.755 -22.230 -0.147 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.545 -21.558 -2.024 1.00 0.00 C ATOM 1063 CG LEU B 34 -5.002 -21.916 -2.321 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.927 -21.011 -1.505 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.281 -21.717 -3.812 1.00 0.00 C ATOM 0 H LEU B 34 -3.517 -20.647 0.300 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.598 -23.308 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.456 -20.491 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.923 -21.770 -2.894 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.182 -22.957 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.965 -21.266 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.728 -21.151 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.747 -19.970 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.319 -21.972 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.100 -20.676 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.622 -22.361 -4.395 1.00 0.00 H new