USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=5 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 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.16 K(o=-1.2,f=-6!) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.144 (180deg=-0.956) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0998) USER MOD Single : A 26 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.41) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc=-0.00152 (180deg=-0.148) USER MOD Single : A 29 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-1.1) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.4!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -0.969 K(o=-0.97,f=-0.32) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 15 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.91) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.017) USER MOD Single : B 24 ASN : amide:sc= -3.09 K(o=-3.1,f=-15!) USER MOD Single : B 29 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : B 30 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.342 18.382 3.073 1.00 0.00 N ATOM 48 CA GLN A 7 5.342 17.907 2.120 1.00 0.00 C ATOM 49 C GLN A 7 5.995 16.626 2.630 1.00 0.00 C ATOM 50 O GLN A 7 6.373 15.750 1.852 1.00 0.00 O ATOM 51 CB GLN A 7 6.423 18.966 1.903 1.00 0.00 C ATOM 52 CG GLN A 7 7.312 18.554 0.727 1.00 0.00 C ATOM 53 CD GLN A 7 8.071 19.772 0.212 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.508 20.610 -0.492 1.00 0.00 O ATOM 55 NE2 GLN A 7 9.330 19.922 0.524 1.00 0.00 N ATOM 0 HA GLN A 7 4.838 17.708 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.964 19.934 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.024 19.078 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.014 17.781 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.704 18.127 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.797 19.228 1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.846 20.733 0.184 1.00 0.00 H new ATOM 64 N ALA A 8 6.125 16.527 3.950 1.00 0.00 N ATOM 65 CA ALA A 8 6.734 15.349 4.561 1.00 0.00 C ATOM 66 C ALA A 8 5.711 14.226 4.688 1.00 0.00 C ATOM 67 O ALA A 8 6.045 13.046 4.575 1.00 0.00 O ATOM 68 CB ALA A 8 7.277 15.687 5.951 1.00 0.00 C ATOM 0 H ALA A 8 5.820 17.241 4.612 1.00 0.00 H new ATOM 0 HA ALA A 8 7.554 15.024 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.727 14.798 6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.029 16.471 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.461 16.033 6.586 1.00 0.00 H new ATOM 74 N GLU A 9 4.458 14.606 4.921 1.00 0.00 N ATOM 75 CA GLU A 9 3.387 13.623 5.062 1.00 0.00 C ATOM 76 C GLU A 9 3.142 12.909 3.736 1.00 0.00 C ATOM 77 O GLU A 9 2.789 11.731 3.705 1.00 0.00 O ATOM 78 CB GLU A 9 2.092 14.303 5.509 1.00 0.00 C ATOM 79 CG GLU A 9 1.061 13.238 5.892 1.00 0.00 C ATOM 80 CD GLU A 9 -0.325 13.870 5.954 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.536 14.704 6.818 1.00 0.00 O ATOM 82 OE2 GLU A 9 -1.157 13.509 5.137 1.00 0.00 O ATOM 0 H GLU A 9 4.161 15.577 5.015 1.00 0.00 H new ATOM 0 HA GLU A 9 3.693 12.897 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.287 14.957 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.702 14.930 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.071 12.428 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.316 12.800 6.857 1.00 0.00 H new ATOM 89 N GLU A 10 3.333 13.639 2.642 1.00 0.00 N ATOM 90 CA GLU A 10 3.131 13.069 1.313 1.00 0.00 C ATOM 91 C GLU A 10 4.321 12.200 0.919 1.00 0.00 C ATOM 92 O GLU A 10 4.164 11.161 0.279 1.00 0.00 O ATOM 93 CB GLU A 10 2.959 14.179 0.273 1.00 0.00 C ATOM 94 CG GLU A 10 2.137 13.653 -0.905 1.00 0.00 C ATOM 95 CD GLU A 10 2.589 14.339 -2.189 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.424 15.544 -2.282 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.094 13.651 -3.059 1.00 0.00 O ATOM 0 H GLU A 10 3.624 14.616 2.647 1.00 0.00 H new ATOM 0 HA GLU A 10 2.229 12.458 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.461 15.039 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.934 14.521 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.260 12.574 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.077 13.840 -0.734 1.00 0.00 H new ATOM 104 N GLN A 11 5.514 12.638 1.312 1.00 0.00 N ATOM 105 CA GLN A 11 6.730 11.894 0.997 1.00 0.00 C ATOM 106 C GLN A 11 6.692 10.513 1.643 1.00 0.00 C ATOM 107 O GLN A 11 7.226 9.545 1.102 1.00 0.00 O ATOM 108 CB GLN A 11 7.964 12.646 1.499 1.00 0.00 C ATOM 109 CG GLN A 11 8.452 13.609 0.415 1.00 0.00 C ATOM 110 CD GLN A 11 9.275 14.721 1.055 1.00 0.00 C ATOM 111 OE1 GLN A 11 8.958 15.187 2.149 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.327 15.178 0.431 1.00 0.00 N ATOM 0 H GLN A 11 5.664 13.495 1.844 1.00 0.00 H new ATOM 0 HA GLN A 11 6.787 11.787 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.722 13.197 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.754 11.940 1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.054 13.073 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.602 14.033 -0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.590 14.792 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.886 15.921 0.850 1.00 0.00 H new ATOM 121 N LYS A 12 6.055 10.434 2.808 1.00 0.00 N ATOM 122 CA LYS A 12 5.951 9.166 3.525 1.00 0.00 C ATOM 123 C LYS A 12 4.817 8.322 2.951 1.00 0.00 C ATOM 124 O LYS A 12 4.922 7.100 2.852 1.00 0.00 O ATOM 125 CB LYS A 12 5.688 9.411 5.012 1.00 0.00 C ATOM 126 CG LYS A 12 5.911 8.111 5.789 1.00 0.00 C ATOM 127 CD LYS A 12 6.283 8.440 7.237 1.00 0.00 C ATOM 128 CE LYS A 12 7.737 8.910 7.296 1.00 0.00 C ATOM 129 NZ LYS A 12 8.636 7.794 6.887 1.00 0.00 N ATOM 0 H LYS A 12 5.607 11.224 3.272 1.00 0.00 H new ATOM 0 HA LYS A 12 6.895 8.634 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.352 10.190 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.667 9.765 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.009 7.500 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.704 7.527 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.623 9.215 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.148 7.561 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.881 9.767 6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.984 9.239 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.561 7.906 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.215 6.887 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.761 7.809 5.855 1.00 0.00 H new ATOM 143 N LEU A 13 3.730 8.990 2.575 1.00 0.00 N ATOM 144 CA LEU A 13 2.577 8.293 2.010 1.00 0.00 C ATOM 145 C LEU A 13 2.964 7.586 0.714 1.00 0.00 C ATOM 146 O LEU A 13 2.448 6.514 0.397 1.00 0.00 O ATOM 147 CB LEU A 13 1.443 9.281 1.720 1.00 0.00 C ATOM 148 CG LEU A 13 0.685 9.582 3.014 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.120 11.002 2.956 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.462 8.583 3.177 1.00 0.00 C ATOM 0 H LEU A 13 3.623 10.002 2.650 1.00 0.00 H new ATOM 0 HA LEU A 13 2.239 7.556 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.847 10.202 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.764 8.863 0.977 1.00 0.00 H new ATOM 0 HG LEU A 13 1.365 9.496 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.420 11.217 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.937 11.714 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.560 11.089 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.003 8.797 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.142 8.668 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.060 7.571 3.219 1.00 0.00 H new ATOM 162 N ILE A 14 3.879 8.200 -0.030 1.00 0.00 N ATOM 163 CA ILE A 14 4.333 7.624 -1.291 1.00 0.00 C ATOM 164 C ILE A 14 5.258 6.437 -1.028 1.00 0.00 C ATOM 165 O ILE A 14 5.023 5.328 -1.510 1.00 0.00 O ATOM 166 CB ILE A 14 5.082 8.673 -2.121 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.179 9.892 -2.333 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.464 8.086 -3.484 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.037 11.155 -2.410 1.00 0.00 C ATOM 0 H ILE A 14 4.317 9.088 0.215 1.00 0.00 H new ATOM 0 HA ILE A 14 3.457 7.286 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 14 5.987 8.969 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.602 9.775 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.464 9.975 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.996 8.837 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.107 7.218 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.562 7.785 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.395 12.023 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.594 11.273 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.735 11.071 -3.243 1.00 0.00 H new ATOM 181 N SER A 15 6.316 6.686 -0.262 1.00 0.00 N ATOM 182 CA SER A 15 7.278 5.634 0.058 1.00 0.00 C ATOM 183 C SER A 15 6.594 4.490 0.802 1.00 0.00 C ATOM 184 O SER A 15 6.957 3.324 0.646 1.00 0.00 O ATOM 185 CB SER A 15 8.408 6.187 0.926 1.00 0.00 C ATOM 186 OG SER A 15 7.900 6.496 2.219 1.00 0.00 O ATOM 0 H SER A 15 6.529 7.597 0.145 1.00 0.00 H new ATOM 0 HA SER A 15 7.690 5.261 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.213 5.456 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.832 7.080 0.466 1.00 0.00 H new ATOM 0 HG SER A 15 8.623 6.850 2.778 1.00 0.00 H new ATOM 192 N GLU A 16 5.600 4.839 1.613 1.00 0.00 N ATOM 193 CA GLU A 16 4.866 3.834 2.377 1.00 0.00 C ATOM 194 C GLU A 16 3.970 3.015 1.454 1.00 0.00 C ATOM 195 O GLU A 16 3.826 1.803 1.617 1.00 0.00 O ATOM 196 CB GLU A 16 4.002 4.500 3.449 1.00 0.00 C ATOM 197 CG GLU A 16 3.447 3.435 4.395 1.00 0.00 C ATOM 198 CD GLU A 16 2.412 4.064 5.320 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.802 4.561 6.364 1.00 0.00 O ATOM 200 OE2 GLU A 16 1.242 4.041 4.972 1.00 0.00 O ATOM 0 H GLU A 16 5.286 5.799 1.758 1.00 0.00 H new ATOM 0 HA GLU A 16 5.593 3.178 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.593 5.225 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.184 5.048 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.994 2.626 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.255 2.997 4.981 1.00 0.00 H new ATOM 207 N GLU A 17 3.371 3.692 0.479 1.00 0.00 N ATOM 208 CA GLU A 17 2.490 3.021 -0.473 1.00 0.00 C ATOM 209 C GLU A 17 3.301 2.135 -1.412 1.00 0.00 C ATOM 210 O GLU A 17 2.879 1.035 -1.769 1.00 0.00 O ATOM 211 CB GLU A 17 1.715 4.048 -1.301 1.00 0.00 C ATOM 212 CG GLU A 17 0.646 3.334 -2.130 1.00 0.00 C ATOM 213 CD GLU A 17 0.055 4.307 -3.144 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.354 5.380 -2.736 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.021 3.963 -4.315 1.00 0.00 O ATOM 0 H GLU A 17 3.477 4.695 0.327 1.00 0.00 H new ATOM 0 HA GLU A 17 1.788 2.407 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.250 4.784 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.396 4.591 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.081 2.477 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.139 2.950 -1.478 1.00 0.00 H new ATOM 222 N ASP A 18 4.470 2.628 -1.807 1.00 0.00 N ATOM 223 CA ASP A 18 5.342 1.874 -2.707 1.00 0.00 C ATOM 224 C ASP A 18 5.756 0.550 -2.069 1.00 0.00 C ATOM 225 O ASP A 18 5.989 -0.442 -2.761 1.00 0.00 O ATOM 226 CB ASP A 18 6.598 2.683 -3.037 1.00 0.00 C ATOM 227 CG ASP A 18 7.327 2.037 -4.208 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.641 0.863 -4.110 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.562 2.726 -5.188 1.00 0.00 O ATOM 0 H ASP A 18 4.835 3.537 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 18 4.786 1.675 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.327 3.709 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.253 2.728 -2.167 1.00 0.00 H new ATOM 234 N LEU A 19 5.848 0.546 -0.742 1.00 0.00 N ATOM 235 CA LEU A 19 6.237 -0.662 -0.020 1.00 0.00 C ATOM 236 C LEU A 19 5.088 -1.666 0.004 1.00 0.00 C ATOM 237 O LEU A 19 5.297 -2.875 -0.092 1.00 0.00 O ATOM 238 CB LEU A 19 6.631 -0.323 1.419 1.00 0.00 C ATOM 239 CG LEU A 19 8.122 0.008 1.475 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.393 0.951 2.648 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.922 -1.281 1.664 1.00 0.00 C ATOM 0 H LEU A 19 5.661 1.355 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 19 7.091 -1.100 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.046 0.524 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.410 -1.164 2.076 1.00 0.00 H new ATOM 0 HG LEU A 19 8.422 0.491 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.457 1.187 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.822 1.870 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.093 0.469 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.986 -1.046 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.621 -1.763 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.730 -1.954 0.828 1.00 0.00 H new ATOM 253 N LEU A 20 3.868 -1.149 0.134 1.00 0.00 N ATOM 254 CA LEU A 20 2.688 -2.009 0.171 1.00 0.00 C ATOM 255 C LEU A 20 2.473 -2.680 -1.181 1.00 0.00 C ATOM 256 O LEU A 20 2.239 -3.886 -1.261 1.00 0.00 O ATOM 257 CB LEU A 20 1.444 -1.191 0.526 1.00 0.00 C ATOM 258 CG LEU A 20 1.259 -1.172 2.044 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.265 -0.076 2.425 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.724 -2.530 2.509 1.00 0.00 C ATOM 0 H LEU A 20 3.672 -0.151 0.215 1.00 0.00 H new ATOM 0 HA LEU A 20 2.851 -2.773 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.546 -0.173 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.564 -1.622 0.048 1.00 0.00 H new ATOM 0 HG LEU A 20 2.218 -0.974 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.134 -0.064 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.645 0.891 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.694 -0.272 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.592 -2.518 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.234 -2.727 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.433 -3.312 2.239 1.00 0.00 H new ATOM 272 N ARG A 21 2.553 -1.884 -2.244 1.00 0.00 N ATOM 273 CA ARG A 21 2.366 -2.407 -3.597 1.00 0.00 C ATOM 274 C ARG A 21 3.402 -3.486 -3.907 1.00 0.00 C ATOM 275 O ARG A 21 3.140 -4.413 -4.672 1.00 0.00 O ATOM 276 CB ARG A 21 2.490 -1.282 -4.627 1.00 0.00 C ATOM 277 CG ARG A 21 3.825 -0.566 -4.447 1.00 0.00 C ATOM 278 CD ARG A 21 4.052 0.393 -5.617 1.00 0.00 C ATOM 279 NE ARG A 21 5.479 0.506 -5.925 1.00 0.00 N ATOM 280 CZ ARG A 21 5.923 1.101 -7.042 1.00 0.00 C ATOM 281 NH1 ARG A 21 5.092 1.615 -7.916 1.00 0.00 N ATOM 282 NH2 ARG A 21 7.207 1.172 -7.262 1.00 0.00 N ATOM 0 H ARG A 21 2.744 -0.883 -2.198 1.00 0.00 H new ATOM 0 HA ARG A 21 1.368 -2.842 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.418 -1.689 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.668 -0.575 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.831 -0.016 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.636 -1.293 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.513 0.037 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.649 1.376 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 21 6.158 0.120 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.086 1.567 -7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.451 2.063 -8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.863 0.777 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.555 1.622 -8.108 1.00 0.00 H new ATOM 296 N LYS A 22 4.580 -3.353 -3.303 1.00 0.00 N ATOM 297 CA LYS A 22 5.649 -4.323 -3.522 1.00 0.00 C ATOM 298 C LYS A 22 5.301 -5.654 -2.865 1.00 0.00 C ATOM 299 O LYS A 22 5.572 -6.724 -3.412 1.00 0.00 O ATOM 300 CB LYS A 22 6.967 -3.809 -2.939 1.00 0.00 C ATOM 301 CG LYS A 22 8.134 -4.597 -3.537 1.00 0.00 C ATOM 302 CD LYS A 22 8.395 -4.117 -4.965 1.00 0.00 C ATOM 303 CE LYS A 22 9.700 -4.729 -5.479 1.00 0.00 C ATOM 304 NZ LYS A 22 10.857 -3.996 -4.891 1.00 0.00 N ATOM 0 H LYS A 22 4.817 -2.593 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 22 5.760 -4.465 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.083 -2.747 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.962 -3.914 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.028 -4.462 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.905 -5.663 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.567 -4.403 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.457 -3.029 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.750 -5.784 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.736 -4.675 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.724 -4.244 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.692 -2.972 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.964 -4.261 -3.891 1.00 0.00 H new ATOM 318 N ARG A 23 4.695 -5.575 -1.683 1.00 0.00 N ATOM 319 CA ARG A 23 4.311 -6.780 -0.954 1.00 0.00 C ATOM 320 C ARG A 23 3.222 -7.536 -1.709 1.00 0.00 C ATOM 321 O ARG A 23 3.160 -8.765 -1.671 1.00 0.00 O ATOM 322 CB ARG A 23 3.791 -6.419 0.439 1.00 0.00 C ATOM 323 CG ARG A 23 3.749 -7.675 1.311 1.00 0.00 C ATOM 324 CD ARG A 23 5.175 -8.153 1.587 1.00 0.00 C ATOM 325 NE ARG A 23 5.196 -9.098 2.706 1.00 0.00 N ATOM 326 CZ ARG A 23 6.340 -9.482 3.293 1.00 0.00 C ATOM 327 NH1 ARG A 23 7.499 -9.024 2.888 1.00 0.00 N ATOM 328 NH2 ARG A 23 6.296 -10.327 4.286 1.00 0.00 N ATOM 0 H ARG A 23 4.461 -4.700 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 23 5.194 -7.412 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.436 -5.668 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.795 -5.982 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.238 -7.462 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.182 -8.459 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.584 -8.628 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.813 -7.299 1.814 1.00 0.00 H new ATOM 0 HE ARG A 23 4.313 -9.476 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.543 -8.363 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.357 -9.329 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.398 -10.689 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.159 -10.626 4.740 1.00 0.00 H new ATOM 342 N ARG A 24 2.367 -6.787 -2.398 1.00 0.00 N ATOM 343 CA ARG A 24 1.282 -7.394 -3.163 1.00 0.00 C ATOM 344 C ARG A 24 1.838 -8.180 -4.346 1.00 0.00 C ATOM 345 O ARG A 24 1.335 -9.248 -4.693 1.00 0.00 O ATOM 346 CB ARG A 24 0.327 -6.320 -3.685 1.00 0.00 C ATOM 347 CG ARG A 24 -0.984 -6.973 -4.131 1.00 0.00 C ATOM 348 CD ARG A 24 -2.120 -5.955 -4.040 1.00 0.00 C ATOM 349 NE ARG A 24 -1.951 -4.898 -5.042 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.943 -4.056 -5.364 1.00 0.00 C ATOM 351 NH1 ARG A 24 -4.121 -4.141 -4.793 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.733 -3.134 -6.263 1.00 0.00 N ATOM 0 H ARG A 24 2.403 -5.769 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 24 0.741 -8.069 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.132 -5.583 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.783 -5.788 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.891 -7.338 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.204 -7.836 -3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.076 -6.456 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.143 -5.517 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.050 -4.800 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.296 -4.858 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.862 -3.490 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.821 -3.059 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.481 -2.488 -6.515 1.00 0.00 H new ATOM 366 N GLU A 25 2.885 -7.637 -4.961 1.00 0.00 N ATOM 367 CA GLU A 25 3.509 -8.294 -6.106 1.00 0.00 C ATOM 368 C GLU A 25 4.113 -9.631 -5.690 1.00 0.00 C ATOM 369 O GLU A 25 3.982 -10.634 -6.391 1.00 0.00 O ATOM 370 CB GLU A 25 4.610 -7.410 -6.697 1.00 0.00 C ATOM 371 CG GLU A 25 3.987 -6.374 -7.633 1.00 0.00 C ATOM 372 CD GLU A 25 3.392 -7.078 -8.848 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.108 -7.837 -9.478 1.00 0.00 O ATOM 374 OE2 GLU A 25 2.227 -6.849 -9.130 1.00 0.00 O ATOM 0 H GLU A 25 3.316 -6.753 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 25 2.738 -8.463 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.158 -6.910 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.329 -8.022 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.213 -5.814 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.742 -5.654 -7.950 1.00 0.00 H new ATOM 381 N GLN A 26 4.775 -9.633 -4.537 1.00 0.00 N ATOM 382 CA GLN A 26 5.397 -10.853 -4.030 1.00 0.00 C ATOM 383 C GLN A 26 4.331 -11.873 -3.646 1.00 0.00 C ATOM 384 O GLN A 26 4.415 -13.046 -4.009 1.00 0.00 O ATOM 385 CB GLN A 26 6.257 -10.545 -2.801 1.00 0.00 C ATOM 386 CG GLN A 26 7.409 -11.547 -2.722 1.00 0.00 C ATOM 387 CD GLN A 26 8.628 -10.981 -3.443 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.020 -9.836 -3.209 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.258 -11.719 -4.313 1.00 0.00 N ATOM 0 H GLN A 26 4.894 -8.814 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 26 6.026 -11.263 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.648 -9.529 -2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.651 -10.599 -1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.654 -11.754 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.113 -12.494 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.935 -12.667 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.075 -11.349 -4.799 1.00 0.00 H new ATOM 398 N LEU A 27 3.327 -11.412 -2.907 1.00 0.00 N ATOM 399 CA LEU A 27 2.243 -12.292 -2.477 1.00 0.00 C ATOM 400 C LEU A 27 1.482 -12.828 -3.685 1.00 0.00 C ATOM 401 O LEU A 27 1.054 -13.982 -3.706 1.00 0.00 O ATOM 402 CB LEU A 27 1.269 -11.540 -1.569 1.00 0.00 C ATOM 403 CG LEU A 27 1.978 -11.147 -0.272 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.243 -9.974 0.378 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.981 -12.340 0.688 1.00 0.00 C ATOM 0 H LEU A 27 3.240 -10.445 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 27 2.684 -13.123 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.896 -10.650 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.405 -12.166 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 27 3.004 -10.854 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.749 -9.695 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.239 -9.124 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.217 -10.266 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.486 -12.061 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.954 -12.632 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.505 -13.177 0.226 1.00 0.00 H new ATOM 417 N LYS A 28 1.316 -11.974 -4.691 1.00 0.00 N ATOM 418 CA LYS A 28 0.603 -12.367 -5.902 1.00 0.00 C ATOM 419 C LYS A 28 1.438 -13.350 -6.718 1.00 0.00 C ATOM 420 O LYS A 28 0.906 -14.258 -7.358 1.00 0.00 O ATOM 421 CB LYS A 28 0.295 -11.142 -6.766 1.00 0.00 C ATOM 422 CG LYS A 28 -0.805 -11.489 -7.771 1.00 0.00 C ATOM 423 CD LYS A 28 -1.649 -10.245 -8.055 1.00 0.00 C ATOM 424 CE LYS A 28 -2.568 -9.969 -6.863 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.715 -10.921 -6.890 1.00 0.00 N ATOM 0 H LYS A 28 1.662 -11.014 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.330 -12.843 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.022 -10.310 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.194 -10.819 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.363 -11.860 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.435 -12.286 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.002 -9.387 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.241 -10.393 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.014 -10.076 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.932 -8.942 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.468 -10.575 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.081 -10.996 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.397 -11.857 -6.567 1.00 0.00 H new ATOM 439 N HIS A 29 2.755 -13.159 -6.685 1.00 0.00 N ATOM 440 CA HIS A 29 3.662 -14.035 -7.426 1.00 0.00 C ATOM 441 C HIS A 29 3.532 -15.477 -6.942 1.00 0.00 C ATOM 442 O HIS A 29 3.713 -16.422 -7.709 1.00 0.00 O ATOM 443 CB HIS A 29 5.111 -13.578 -7.244 1.00 0.00 C ATOM 444 CG HIS A 29 5.410 -12.462 -8.207 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.002 -12.498 -9.531 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.074 -11.270 -8.051 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.422 -11.361 -10.116 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.081 -10.578 -9.258 1.00 0.00 N ATOM 0 H HIS A 29 3.215 -12.415 -6.160 1.00 0.00 H new ATOM 0 HA HIS A 29 3.392 -13.982 -8.481 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.271 -13.241 -6.220 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.791 -14.412 -7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.522 -10.923 -7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.247 -11.112 -11.152 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.500 -9.667 -9.447 1.00 0.00 H new ATOM 647 N LYS B 9 -4.246 15.059 -2.630 1.00 0.00 N ATOM 648 CA LYS B 9 -3.205 14.060 -2.864 1.00 0.00 C ATOM 649 C LYS B 9 -3.122 13.100 -1.681 1.00 0.00 C ATOM 650 O LYS B 9 -3.010 11.886 -1.855 1.00 0.00 O ATOM 651 CB LYS B 9 -1.843 14.735 -3.063 1.00 0.00 C ATOM 652 CG LYS B 9 -1.557 14.888 -4.559 1.00 0.00 C ATOM 653 CD LYS B 9 -0.338 15.789 -4.757 1.00 0.00 C ATOM 654 CE LYS B 9 -0.437 16.494 -6.112 1.00 0.00 C ATOM 655 NZ LYS B 9 0.273 15.687 -7.144 1.00 0.00 N ATOM 0 HA LYS B 9 -3.463 13.506 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.836 15.712 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.060 14.141 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.377 13.911 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.424 15.315 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.283 16.526 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.576 15.197 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.483 16.623 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.001 17.490 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.206 16.165 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.273 15.586 -6.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.164 14.746 -7.210 1.00 0.00 H new ATOM 669 N ASN B 10 -3.181 13.659 -0.475 1.00 0.00 N ATOM 670 CA ASN B 10 -3.114 12.843 0.734 1.00 0.00 C ATOM 671 C ASN B 10 -4.300 11.887 0.796 1.00 0.00 C ATOM 672 O ASN B 10 -4.190 10.769 1.302 1.00 0.00 O ATOM 673 CB ASN B 10 -3.124 13.731 1.980 1.00 0.00 C ATOM 674 CG ASN B 10 -1.696 14.132 2.332 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.745 13.428 1.993 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.487 15.235 2.998 1.00 0.00 N ATOM 0 H ASN B 10 -3.274 14.661 -0.309 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.187 12.271 0.704 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.729 14.620 1.801 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.580 13.199 2.815 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.535 15.514 3.238 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.275 15.818 3.279 1.00 0.00 H new ATOM 683 N ASP B 11 -5.437 12.339 0.273 1.00 0.00 N ATOM 684 CA ASP B 11 -6.642 11.516 0.271 1.00 0.00 C ATOM 685 C ASP B 11 -6.488 10.351 -0.702 1.00 0.00 C ATOM 686 O ASP B 11 -6.919 9.231 -0.425 1.00 0.00 O ATOM 687 CB ASP B 11 -7.858 12.349 -0.138 1.00 0.00 C ATOM 688 CG ASP B 11 -9.134 11.576 0.175 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.169 10.389 -0.107 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.060 12.180 0.691 1.00 0.00 O ATOM 0 H ASP B 11 -5.549 13.260 -0.150 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.789 11.131 1.280 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.856 13.300 0.395 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.812 12.580 -1.202 1.00 0.00 H new ATOM 695 N THR B 12 -5.869 10.629 -1.845 1.00 0.00 N ATOM 696 CA THR B 12 -5.660 9.597 -2.857 1.00 0.00 C ATOM 697 C THR B 12 -4.664 8.556 -2.358 1.00 0.00 C ATOM 698 O THR B 12 -4.769 7.371 -2.676 1.00 0.00 O ATOM 699 CB THR B 12 -5.129 10.216 -4.152 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.831 11.421 -4.421 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.330 9.235 -5.309 1.00 0.00 C ATOM 0 H THR B 12 -5.506 11.550 -2.093 1.00 0.00 H new ATOM 0 HA THR B 12 -6.619 9.118 -3.052 1.00 0.00 H new ATOM 0 HB THR B 12 -4.066 10.431 -4.043 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.491 11.820 -5.249 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.951 9.677 -6.231 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.790 8.311 -5.101 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.392 9.017 -5.421 1.00 0.00 H new ATOM 709 N HIS B 13 -3.696 9.013 -1.570 1.00 0.00 N ATOM 710 CA HIS B 13 -2.681 8.113 -1.027 1.00 0.00 C ATOM 711 C HIS B 13 -3.305 7.145 -0.029 1.00 0.00 C ATOM 712 O HIS B 13 -2.963 5.963 0.009 1.00 0.00 O ATOM 713 CB HIS B 13 -1.580 8.909 -0.323 1.00 0.00 C ATOM 714 CG HIS B 13 -0.664 9.517 -1.348 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.127 8.744 -2.185 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.397 10.822 -1.682 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.823 9.583 -2.972 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.540 10.862 -2.708 1.00 0.00 N ATOM 0 H HIS B 13 -3.592 9.990 -1.295 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.251 7.553 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.021 9.691 0.295 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.015 8.257 0.343 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.847 11.687 -1.218 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.526 9.262 -3.726 1.00 0.00 H new ATOM 0 HE2 HIS B 13 0.928 11.689 -3.162 1.00 0.00 H new ATOM 726 N GLN B 14 -4.225 7.662 0.777 1.00 0.00 N ATOM 727 CA GLN B 14 -4.898 6.841 1.779 1.00 0.00 C ATOM 728 C GLN B 14 -5.715 5.743 1.107 1.00 0.00 C ATOM 729 O GLN B 14 -5.749 4.603 1.569 1.00 0.00 O ATOM 730 CB GLN B 14 -5.828 7.698 2.639 1.00 0.00 C ATOM 731 CG GLN B 14 -4.994 8.547 3.601 1.00 0.00 C ATOM 732 CD GLN B 14 -5.829 8.889 4.831 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.024 9.162 4.723 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.265 8.889 6.008 1.00 0.00 N ATOM 0 H GLN B 14 -4.521 8.638 0.758 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.133 6.390 2.411 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.438 8.341 2.004 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.513 7.061 3.199 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.096 8.004 3.897 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.666 9.461 3.106 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.275 8.663 6.099 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.815 9.115 6.837 1.00 0.00 H new ATOM 743 N GLN B 15 -6.376 6.101 0.010 1.00 0.00 N ATOM 744 CA GLN B 15 -7.197 5.139 -0.723 1.00 0.00 C ATOM 745 C GLN B 15 -6.336 3.993 -1.248 1.00 0.00 C ATOM 746 O GLN B 15 -6.608 2.824 -0.982 1.00 0.00 O ATOM 747 CB GLN B 15 -7.895 5.818 -1.902 1.00 0.00 C ATOM 748 CG GLN B 15 -9.237 5.133 -2.166 1.00 0.00 C ATOM 749 CD GLN B 15 -9.035 3.978 -3.140 1.00 0.00 C ATOM 750 OE1 GLN B 15 -8.795 2.842 -2.728 1.00 0.00 O ATOM 751 NE2 GLN B 15 -9.119 4.200 -4.423 1.00 0.00 N ATOM 0 H GLN B 15 -6.361 7.040 -0.389 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.946 4.746 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.051 6.875 -1.686 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.266 5.764 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.660 4.765 -1.231 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.948 5.849 -2.577 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.318 5.140 -4.766 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -8.986 3.434 -5.083 1.00 0.00 H new ATOM 760 N ASP B 16 -5.291 4.344 -1.994 1.00 0.00 N ATOM 761 CA ASP B 16 -4.392 3.335 -2.554 1.00 0.00 C ATOM 762 C ASP B 16 -3.751 2.517 -1.437 1.00 0.00 C ATOM 763 O ASP B 16 -3.615 1.298 -1.538 1.00 0.00 O ATOM 764 CB ASP B 16 -3.289 4.000 -3.381 1.00 0.00 C ATOM 765 CG ASP B 16 -2.798 3.028 -4.448 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.739 1.844 -4.161 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.488 3.482 -5.538 1.00 0.00 O ATOM 0 H ASP B 16 -5.047 5.307 -2.223 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.980 2.678 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.668 4.909 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.463 4.295 -2.734 1.00 0.00 H new ATOM 772 N ILE B 17 -3.361 3.205 -0.368 1.00 0.00 N ATOM 773 CA ILE B 17 -2.738 2.539 0.773 1.00 0.00 C ATOM 774 C ILE B 17 -3.717 1.540 1.396 1.00 0.00 C ATOM 775 O ILE B 17 -3.575 0.327 1.246 1.00 0.00 O ATOM 776 CB ILE B 17 -2.304 3.590 1.825 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.971 4.204 1.396 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.140 2.957 3.223 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.638 5.389 2.302 1.00 0.00 C ATOM 0 H ILE B 17 -3.464 4.215 -0.267 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.856 1.998 0.431 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.080 4.354 1.885 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.180 3.456 1.452 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.027 4.531 0.358 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.835 3.723 3.936 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.089 2.524 3.540 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.380 2.176 3.182 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.312 5.826 1.995 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.425 6.140 2.223 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.564 5.048 3.335 1.00 0.00 H new ATOM 791 N ASP B 18 -4.690 2.081 2.127 1.00 0.00 N ATOM 792 CA ASP B 18 -5.683 1.261 2.820 1.00 0.00 C ATOM 793 C ASP B 18 -6.227 0.143 1.922 1.00 0.00 C ATOM 794 O ASP B 18 -6.607 -0.926 2.400 1.00 0.00 O ATOM 795 CB ASP B 18 -6.849 2.135 3.300 1.00 0.00 C ATOM 796 CG ASP B 18 -6.652 2.501 4.767 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.987 3.488 5.028 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.170 1.785 5.609 1.00 0.00 O ATOM 0 H ASP B 18 -4.812 3.086 2.255 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.185 0.802 3.674 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.910 3.040 2.695 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.791 1.602 3.172 1.00 0.00 H new ATOM 803 N ASP B 19 -6.259 0.404 0.618 1.00 0.00 N ATOM 804 CA ASP B 19 -6.755 -0.586 -0.335 1.00 0.00 C ATOM 805 C ASP B 19 -5.735 -1.707 -0.510 1.00 0.00 C ATOM 806 O ASP B 19 -6.092 -2.881 -0.613 1.00 0.00 O ATOM 807 CB ASP B 19 -7.027 0.061 -1.694 1.00 0.00 C ATOM 808 CG ASP B 19 -7.733 -0.939 -2.604 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.939 -1.075 -2.477 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.059 -1.553 -3.414 1.00 0.00 O ATOM 0 H ASP B 19 -5.951 1.282 0.200 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.685 -0.996 0.058 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.643 0.951 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.090 0.384 -2.149 1.00 0.00 H new ATOM 815 N LEU B 20 -4.460 -1.330 -0.542 1.00 0.00 N ATOM 816 CA LEU B 20 -3.389 -2.311 -0.705 1.00 0.00 C ATOM 817 C LEU B 20 -3.349 -3.256 0.492 1.00 0.00 C ATOM 818 O LEU B 20 -3.158 -4.463 0.342 1.00 0.00 O ATOM 819 CB LEU B 20 -2.035 -1.608 -0.828 1.00 0.00 C ATOM 820 CG LEU B 20 -1.885 -1.028 -2.234 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.745 -0.009 -2.248 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.572 -2.156 -3.220 1.00 0.00 C ATOM 0 H LEU B 20 -4.144 -0.364 -0.458 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.587 -2.880 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.957 -0.814 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.228 -2.313 -0.626 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.814 -0.537 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.639 0.404 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.967 0.795 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.184 -0.499 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.465 -1.743 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.643 -2.647 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.385 -2.883 -3.212 1.00 0.00 H new ATOM 834 N LYS B 21 -3.532 -2.692 1.681 1.00 0.00 N ATOM 835 CA LYS B 21 -3.516 -3.490 2.904 1.00 0.00 C ATOM 836 C LYS B 21 -4.652 -4.509 2.890 1.00 0.00 C ATOM 837 O LYS B 21 -4.463 -5.675 3.236 1.00 0.00 O ATOM 838 CB LYS B 21 -3.668 -2.592 4.133 1.00 0.00 C ATOM 839 CG LYS B 21 -2.349 -1.866 4.401 1.00 0.00 C ATOM 840 CD LYS B 21 -1.522 -2.664 5.413 1.00 0.00 C ATOM 841 CE LYS B 21 -0.610 -1.713 6.191 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.406 -2.237 7.571 1.00 0.00 N ATOM 0 H LYS B 21 -3.692 -1.695 1.825 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.560 -4.011 2.952 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.467 -1.869 3.971 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.949 -3.189 5.000 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.791 -1.748 3.472 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.544 -0.865 4.784 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.182 -3.195 6.099 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.925 -3.417 4.898 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.349 -1.615 5.683 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.053 -0.718 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.214 -1.591 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.324 -2.309 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.035 -3.178 7.523 1.00 0.00 H new ATOM 856 N ARG B 22 -5.834 -4.053 2.486 1.00 0.00 N ATOM 857 CA ARG B 22 -7.000 -4.929 2.430 1.00 0.00 C ATOM 858 C ARG B 22 -6.762 -6.076 1.452 1.00 0.00 C ATOM 859 O ARG B 22 -7.263 -7.184 1.637 1.00 0.00 O ATOM 860 CB ARG B 22 -8.236 -4.144 1.987 1.00 0.00 C ATOM 861 CG ARG B 22 -8.836 -3.415 3.191 1.00 0.00 C ATOM 862 CD ARG B 22 -9.694 -4.387 4.001 1.00 0.00 C ATOM 863 NE ARG B 22 -11.050 -4.466 3.447 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.917 -5.418 3.818 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.589 -6.332 4.701 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.109 -5.438 3.291 1.00 0.00 N ATOM 0 H ARG B 22 -6.009 -3.091 2.195 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.164 -5.334 3.429 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.966 -3.427 1.212 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.973 -4.820 1.553 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.041 -3.008 3.816 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.441 -2.573 2.855 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.235 -5.376 3.996 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.739 -4.062 5.040 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.342 -3.774 2.757 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.659 -6.327 5.119 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.264 -7.048 4.969 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.374 -4.733 2.603 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.776 -6.158 3.567 1.00 0.00 H new ATOM 880 N GLN B 23 -5.988 -5.796 0.406 1.00 0.00 N ATOM 881 CA GLN B 23 -5.689 -6.811 -0.601 1.00 0.00 C ATOM 882 C GLN B 23 -4.602 -7.756 -0.097 1.00 0.00 C ATOM 883 O GLN B 23 -4.768 -8.974 -0.100 1.00 0.00 O ATOM 884 CB GLN B 23 -5.218 -6.155 -1.900 1.00 0.00 C ATOM 885 CG GLN B 23 -6.424 -5.888 -2.804 1.00 0.00 C ATOM 886 CD GLN B 23 -6.758 -7.148 -3.592 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.860 -7.687 -3.479 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.864 -7.658 -4.394 1.00 0.00 N ATOM 0 H GLN B 23 -5.561 -4.886 0.234 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.602 -7.376 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.700 -5.221 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.505 -6.803 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.281 -5.584 -2.204 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.205 -5.067 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.951 -7.213 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.078 -8.501 -4.926 1.00 0.00 H new ATOM 897 N ASN B 24 -3.483 -7.177 0.332 1.00 0.00 N ATOM 898 CA ASN B 24 -2.368 -7.976 0.834 1.00 0.00 C ATOM 899 C ASN B 24 -2.781 -8.743 2.087 1.00 0.00 C ATOM 900 O ASN B 24 -2.373 -9.885 2.295 1.00 0.00 O ATOM 901 CB ASN B 24 -1.174 -7.078 1.171 1.00 0.00 C ATOM 902 CG ASN B 24 -0.480 -6.630 -0.114 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.806 -7.101 -1.206 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.468 -5.738 -0.049 1.00 0.00 N ATOM 0 H ASN B 24 -3.325 -6.169 0.343 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.083 -8.682 0.054 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.510 -6.208 1.735 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.470 -7.617 1.806 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.939 -5.431 -0.900 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.739 -5.347 0.853 1.00 0.00 H new ATOM 911 N ALA B 25 -3.598 -8.101 2.917 1.00 0.00 N ATOM 912 CA ALA B 25 -4.064 -8.732 4.151 1.00 0.00 C ATOM 913 C ALA B 25 -4.875 -9.985 3.835 1.00 0.00 C ATOM 914 O ALA B 25 -4.572 -11.076 4.319 1.00 0.00 O ATOM 915 CB ALA B 25 -4.935 -7.763 4.953 1.00 0.00 C ATOM 0 H ALA B 25 -3.948 -7.156 2.762 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.189 -9.005 4.741 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.273 -8.250 5.868 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.354 -6.876 5.207 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.800 -7.472 4.356 1.00 0.00 H new ATOM 921 N LEU B 26 -5.909 -9.815 3.017 1.00 0.00 N ATOM 922 CA LEU B 26 -6.760 -10.939 2.640 1.00 0.00 C ATOM 923 C LEU B 26 -5.970 -11.951 1.816 1.00 0.00 C ATOM 924 O LEU B 26 -6.143 -13.161 1.961 1.00 0.00 O ATOM 925 CB LEU B 26 -7.958 -10.455 1.820 1.00 0.00 C ATOM 926 CG LEU B 26 -9.154 -11.374 2.071 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.406 -10.770 1.433 1.00 0.00 C ATOM 928 CD2 LEU B 26 -8.880 -12.746 1.451 1.00 0.00 C ATOM 0 H LEU B 26 -6.176 -8.920 2.606 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.116 -11.412 3.555 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.210 -9.430 2.094 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.707 -10.449 0.759 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.309 -11.482 3.144 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.258 -11.426 1.612 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -10.602 -9.792 1.872 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.251 -10.662 0.360 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.732 -13.402 1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.725 -12.636 0.378 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -7.988 -13.178 1.904 1.00 0.00 H new ATOM 940 N LEU B 27 -5.101 -11.439 0.949 1.00 0.00 N ATOM 941 CA LEU B 27 -4.285 -12.307 0.104 1.00 0.00 C ATOM 942 C LEU B 27 -3.364 -13.168 0.960 1.00 0.00 C ATOM 943 O LEU B 27 -3.369 -14.395 0.864 1.00 0.00 O ATOM 944 CB LEU B 27 -3.436 -11.473 -0.858 1.00 0.00 C ATOM 945 CG LEU B 27 -4.229 -11.206 -2.140 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.532 -10.117 -2.954 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.305 -12.492 -2.968 1.00 0.00 C ATOM 0 H LEU B 27 -4.944 -10.440 0.813 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.956 -12.949 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.156 -10.530 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.511 -11.999 -1.093 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.236 -10.878 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.097 -9.927 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.476 -9.202 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.525 -10.444 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.869 -12.304 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.298 -12.819 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.802 -13.269 -2.388 1.00 0.00 H new ATOM 959 N GLU B 28 -2.571 -12.509 1.804 1.00 0.00 N ATOM 960 CA GLU B 28 -1.641 -13.219 2.683 1.00 0.00 C ATOM 961 C GLU B 28 -2.393 -14.201 3.578 1.00 0.00 C ATOM 962 O GLU B 28 -1.970 -15.342 3.765 1.00 0.00 O ATOM 963 CB GLU B 28 -0.876 -12.222 3.561 1.00 0.00 C ATOM 964 CG GLU B 28 0.190 -12.960 4.374 1.00 0.00 C ATOM 965 CD GLU B 28 1.440 -12.094 4.489 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.321 -10.980 4.974 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.497 -12.556 4.091 1.00 0.00 O ATOM 0 H GLU B 28 -2.553 -11.494 1.898 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.937 -13.770 2.059 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.408 -11.459 2.938 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.566 -11.708 4.230 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.194 -13.195 5.367 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.435 -13.908 3.895 1.00 0.00 H new ATOM 974 N GLN B 29 -3.515 -13.744 4.129 1.00 0.00 N ATOM 975 CA GLN B 29 -4.330 -14.586 5.009 1.00 0.00 C ATOM 976 C GLN B 29 -4.722 -15.886 4.304 1.00 0.00 C ATOM 977 O GLN B 29 -4.872 -16.930 4.937 1.00 0.00 O ATOM 978 CB GLN B 29 -5.603 -13.846 5.427 1.00 0.00 C ATOM 979 CG GLN B 29 -6.090 -14.388 6.772 1.00 0.00 C ATOM 980 CD GLN B 29 -7.566 -14.048 6.952 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.300 -13.902 5.975 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.050 -13.915 8.157 1.00 0.00 N ATOM 0 H GLN B 29 -3.881 -12.803 3.985 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.735 -14.819 5.892 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.406 -12.777 5.504 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.376 -13.974 4.670 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.947 -15.468 6.815 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.505 -13.956 7.584 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.442 -14.036 8.967 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.036 -13.690 8.289 1.00 0.00 H new ATOM 991 N GLN B 30 -4.876 -15.806 2.985 1.00 0.00 N ATOM 992 CA GLN B 30 -5.242 -16.979 2.197 1.00 0.00 C ATOM 993 C GLN B 30 -3.988 -17.747 1.789 1.00 0.00 C ATOM 994 O GLN B 30 -3.992 -18.976 1.706 1.00 0.00 O ATOM 995 CB GLN B 30 -6.004 -16.565 0.937 1.00 0.00 C ATOM 996 CG GLN B 30 -6.995 -17.665 0.555 1.00 0.00 C ATOM 997 CD GLN B 30 -8.207 -17.603 1.477 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.715 -16.522 1.774 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.706 -18.711 1.955 1.00 0.00 N ATOM 0 H GLN B 30 -4.754 -14.950 2.444 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.881 -17.614 2.810 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.534 -15.628 1.111 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.306 -16.389 0.118 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.308 -17.543 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.517 -18.642 0.631 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.286 -19.607 1.709 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.516 -18.680 2.574 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.913 -17.004 1.540 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.648 -17.616 1.145 1.00 0.00 C ATOM 1010 C VAL B 31 -1.026 -18.354 2.328 1.00 0.00 C ATOM 1011 O VAL B 31 -0.365 -19.380 2.161 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.674 -16.538 0.646 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.618 -17.194 0.145 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.324 -15.751 -0.499 1.00 0.00 C ATOM 0 H VAL B 31 -2.892 -15.986 1.604 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.843 -18.327 0.342 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.438 -15.861 1.467 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.304 -16.424 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.083 -17.750 0.959 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.386 -17.876 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.633 -14.986 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.564 -16.430 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.238 -15.277 -0.142 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.248 -17.822 3.526 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.709 -18.436 4.735 1.00 0.00 C ATOM 1026 C ARG B 32 -1.333 -19.809 4.959 1.00 0.00 C ATOM 1027 O ARG B 32 -0.658 -20.759 5.354 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.988 -17.555 5.954 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.144 -18.037 7.137 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.533 -17.255 8.392 1.00 0.00 C ATOM 1031 NE ARG B 32 0.415 -17.520 9.479 1.00 0.00 N ATOM 1032 CZ ARG B 32 0.380 -18.653 10.195 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.509 -19.585 9.950 1.00 0.00 N ATOM 1034 NH2 ARG B 32 1.250 -18.832 11.152 1.00 0.00 N ATOM 0 H ARG B 32 -1.793 -16.974 3.685 1.00 0.00 H new ATOM 0 HA ARG B 32 0.368 -18.544 4.606 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.753 -16.515 5.726 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.047 -17.594 6.209 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.299 -19.104 7.298 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.916 -17.898 6.922 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.552 -16.188 8.171 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.540 -17.534 8.704 1.00 0.00 H new ATOM 0 HE ARG B 32 1.124 -16.820 9.697 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -1.191 -19.455 9.203 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.518 -20.440 10.507 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.947 -18.114 11.349 1.00 0.00 H new ATOM 0 HH22 ARG B 32 1.233 -19.690 11.703 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.635 -19.903 4.697 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.347 -21.166 4.872 1.00 0.00 C ATOM 1050 C ALA B 33 -2.795 -22.224 3.923 1.00 0.00 C ATOM 1051 O ALA B 33 -2.360 -23.294 4.347 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.841 -20.981 4.598 1.00 0.00 C ATOM 0 H ALA B 33 -3.212 -19.130 4.367 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.205 -21.492 5.902 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.356 -21.932 4.733 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.250 -20.245 5.291 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.983 -20.634 3.575 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.816 -21.909 2.631 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.315 -22.839 1.622 1.00 0.00 C ATOM 1060 C LEU B 34 -0.805 -23.007 1.761 1.00 0.00 C ATOM 1061 O LEU B 34 -0.240 -24.015 1.334 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.634 -22.325 0.211 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.021 -22.805 -0.242 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.051 -24.335 -0.298 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.091 -22.308 0.739 1.00 0.00 C ATOM 0 H LEU B 34 -3.170 -21.027 2.260 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.805 -23.800 1.775 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.599 -21.236 0.199 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.876 -22.676 -0.489 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.227 -22.404 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.038 -24.668 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.300 -24.688 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.836 -24.740 0.691 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.072 -22.652 0.412 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.882 -22.700 1.734 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.080 -21.218 0.769 1.00 0.00 H new