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= -0.661 K(o=-0.66,f=-3.2!) USER MOD Single : A 11 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.34) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.199) USER MOD Single : A 15 SER OG : rot 89:sc= 0.977 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0663 K(o=-0.066,f=-0.85) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -1.04 F(o=-1.7,f=-1) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.077) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HE2:sc= 0.386 K(o=0.39,f=-4.3!) USER MOD Single : B 14 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.64) USER MOD Single : B 15 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.39) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= 0.0261 K(o=0.026,f=-4.3!) USER MOD Single : B 24 ASN : amide:sc= -2.12 K(o=-2.1,f=-13!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0.0043) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 3.904 18.165 1.708 1.00 0.00 N ATOM 48 CA GLN A 7 5.030 17.659 0.926 1.00 0.00 C ATOM 49 C GLN A 7 5.820 16.630 1.731 1.00 0.00 C ATOM 50 O GLN A 7 6.202 15.579 1.215 1.00 0.00 O ATOM 51 CB GLN A 7 5.964 18.804 0.531 1.00 0.00 C ATOM 52 CG GLN A 7 6.633 18.479 -0.807 1.00 0.00 C ATOM 53 CD GLN A 7 7.805 17.533 -0.573 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.406 17.531 0.502 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.171 16.719 -1.525 1.00 0.00 N ATOM 0 HA GLN A 7 4.630 17.189 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.402 19.735 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.721 18.952 1.301 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.912 18.021 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.981 19.395 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.674 16.720 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.954 16.082 -1.378 1.00 0.00 H new ATOM 64 N ALA A 8 6.058 16.945 3.000 1.00 0.00 N ATOM 65 CA ALA A 8 6.803 16.041 3.872 1.00 0.00 C ATOM 66 C ALA A 8 6.041 14.733 4.057 1.00 0.00 C ATOM 67 O ALA A 8 6.591 13.646 3.880 1.00 0.00 O ATOM 68 CB ALA A 8 7.031 16.684 5.240 1.00 0.00 C ATOM 0 H ALA A 8 5.750 17.810 3.445 1.00 0.00 H new ATOM 0 HA ALA A 8 7.766 15.837 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.588 15.997 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.599 17.606 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.069 16.908 5.701 1.00 0.00 H new ATOM 74 N GLU A 9 4.765 14.852 4.414 1.00 0.00 N ATOM 75 CA GLU A 9 3.929 13.672 4.622 1.00 0.00 C ATOM 76 C GLU A 9 3.792 12.883 3.324 1.00 0.00 C ATOM 77 O GLU A 9 3.695 11.657 3.334 1.00 0.00 O ATOM 78 CB GLU A 9 2.537 14.080 5.108 1.00 0.00 C ATOM 79 CG GLU A 9 2.565 14.282 6.625 1.00 0.00 C ATOM 80 CD GLU A 9 2.223 12.969 7.320 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.258 12.341 6.915 1.00 0.00 O ATOM 82 OE2 GLU A 9 2.929 12.610 8.247 1.00 0.00 O ATOM 0 H GLU A 9 4.291 15.743 4.564 1.00 0.00 H new ATOM 0 HA GLU A 9 4.407 13.049 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.223 14.999 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.809 13.312 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.551 14.626 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.852 15.054 6.913 1.00 0.00 H new ATOM 89 N GLU A 10 3.785 13.603 2.205 1.00 0.00 N ATOM 90 CA GLU A 10 3.659 12.961 0.899 1.00 0.00 C ATOM 91 C GLU A 10 4.842 12.031 0.649 1.00 0.00 C ATOM 92 O GLU A 10 4.679 10.914 0.160 1.00 0.00 O ATOM 93 CB GLU A 10 3.608 14.012 -0.212 1.00 0.00 C ATOM 94 CG GLU A 10 3.075 13.372 -1.497 1.00 0.00 C ATOM 95 CD GLU A 10 3.608 14.135 -2.706 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.751 15.342 -2.605 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.863 13.500 -3.715 1.00 0.00 O ATOM 0 H GLU A 10 3.864 14.619 2.175 1.00 0.00 H new ATOM 0 HA GLU A 10 2.734 12.384 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.967 14.841 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.603 14.424 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.381 12.327 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.985 13.385 -1.497 1.00 0.00 H new ATOM 104 N GLN A 11 6.036 12.506 0.993 1.00 0.00 N ATOM 105 CA GLN A 11 7.248 11.710 0.805 1.00 0.00 C ATOM 106 C GLN A 11 7.166 10.416 1.611 1.00 0.00 C ATOM 107 O GLN A 11 7.600 9.357 1.159 1.00 0.00 O ATOM 108 CB GLN A 11 8.481 12.498 1.250 1.00 0.00 C ATOM 109 CG GLN A 11 9.048 13.275 0.060 1.00 0.00 C ATOM 110 CD GLN A 11 10.095 12.424 -0.651 1.00 0.00 C ATOM 111 OE1 GLN A 11 11.022 11.916 -0.021 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.001 12.237 -1.938 1.00 0.00 N ATOM 0 H GLN A 11 6.191 13.429 1.399 1.00 0.00 H new ATOM 0 HA GLN A 11 7.334 11.473 -0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.216 13.185 2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.236 11.819 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.247 13.538 -0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.494 14.209 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.232 12.658 -2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.696 11.669 -2.423 1.00 0.00 H new ATOM 121 N LYS A 12 6.601 10.517 2.810 1.00 0.00 N ATOM 122 CA LYS A 12 6.464 9.350 3.677 1.00 0.00 C ATOM 123 C LYS A 12 5.276 8.497 3.239 1.00 0.00 C ATOM 124 O LYS A 12 5.286 7.274 3.381 1.00 0.00 O ATOM 125 CB LYS A 12 6.255 9.783 5.130 1.00 0.00 C ATOM 126 CG LYS A 12 6.749 8.682 6.068 1.00 0.00 C ATOM 127 CD LYS A 12 5.599 7.722 6.381 1.00 0.00 C ATOM 128 CE LYS A 12 5.801 7.116 7.771 1.00 0.00 C ATOM 129 NZ LYS A 12 7.091 6.368 7.803 1.00 0.00 N ATOM 0 H LYS A 12 6.234 11.385 3.201 1.00 0.00 H new ATOM 0 HA LYS A 12 7.381 8.765 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.794 10.710 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.199 9.984 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.574 8.139 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.132 9.120 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.648 8.252 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.557 6.932 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.805 7.903 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.974 6.448 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.122 5.765 8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.169 5.774 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.883 7.042 7.828 1.00 0.00 H new ATOM 143 N LEU A 13 4.252 9.159 2.706 1.00 0.00 N ATOM 144 CA LEU A 13 3.058 8.454 2.250 1.00 0.00 C ATOM 145 C LEU A 13 3.375 7.595 1.029 1.00 0.00 C ATOM 146 O LEU A 13 2.996 6.426 0.959 1.00 0.00 O ATOM 147 CB LEU A 13 1.956 9.452 1.884 1.00 0.00 C ATOM 148 CG LEU A 13 1.178 9.837 3.145 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.723 11.294 3.038 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.046 8.930 3.283 1.00 0.00 C ATOM 0 H LEU A 13 4.224 10.171 2.580 1.00 0.00 H new ATOM 0 HA LEU A 13 2.716 7.814 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.392 10.340 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.283 9.013 1.148 1.00 0.00 H new ATOM 0 HG LEU A 13 1.819 9.720 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.169 11.569 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.594 11.941 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.081 11.412 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.601 9.202 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.687 9.049 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.277 7.892 3.358 1.00 0.00 H new ATOM 162 N ILE A 14 4.073 8.191 0.065 1.00 0.00 N ATOM 163 CA ILE A 14 4.438 7.474 -1.155 1.00 0.00 C ATOM 164 C ILE A 14 5.330 6.278 -0.822 1.00 0.00 C ATOM 165 O ILE A 14 5.071 5.154 -1.254 1.00 0.00 O ATOM 166 CB ILE A 14 5.180 8.405 -2.122 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.299 9.617 -2.432 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.493 7.664 -3.425 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.182 10.811 -2.798 1.00 0.00 C ATOM 0 H ILE A 14 4.394 9.158 0.103 1.00 0.00 H new ATOM 0 HA ILE A 14 3.522 7.121 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 14 6.112 8.731 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.622 9.387 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.680 9.860 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.020 8.332 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.119 6.798 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.563 7.334 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.554 11.674 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.841 11.046 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.782 10.565 -3.674 1.00 0.00 H new ATOM 181 N SER A 15 6.387 6.535 -0.058 1.00 0.00 N ATOM 182 CA SER A 15 7.320 5.476 0.320 1.00 0.00 C ATOM 183 C SER A 15 6.599 4.356 1.069 1.00 0.00 C ATOM 184 O SER A 15 6.985 3.189 0.990 1.00 0.00 O ATOM 185 CB SER A 15 8.431 6.034 1.210 1.00 0.00 C ATOM 186 OG SER A 15 8.888 7.267 0.675 1.00 0.00 O ATOM 0 H SER A 15 6.619 7.458 0.309 1.00 0.00 H new ATOM 0 HA SER A 15 7.752 5.074 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.061 6.180 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.255 5.323 1.271 1.00 0.00 H new ATOM 0 HG SER A 15 8.350 8.001 1.038 1.00 0.00 H new ATOM 192 N GLU A 16 5.546 4.723 1.793 1.00 0.00 N ATOM 193 CA GLU A 16 4.776 3.742 2.552 1.00 0.00 C ATOM 194 C GLU A 16 4.006 2.824 1.607 1.00 0.00 C ATOM 195 O GLU A 16 4.165 1.602 1.637 1.00 0.00 O ATOM 196 CB GLU A 16 3.786 4.443 3.486 1.00 0.00 C ATOM 197 CG GLU A 16 4.440 4.664 4.851 1.00 0.00 C ATOM 198 CD GLU A 16 3.524 5.514 5.724 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.966 6.469 5.207 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.393 5.198 6.894 1.00 0.00 O ATOM 0 H GLU A 16 5.208 5.682 1.870 1.00 0.00 H new ATOM 0 HA GLU A 16 5.474 3.151 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.480 5.398 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.885 3.840 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.632 3.705 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.404 5.158 4.728 1.00 0.00 H new ATOM 207 N GLU A 17 3.168 3.426 0.766 1.00 0.00 N ATOM 208 CA GLU A 17 2.372 2.655 -0.187 1.00 0.00 C ATOM 209 C GLU A 17 3.280 1.866 -1.128 1.00 0.00 C ATOM 210 O GLU A 17 2.929 0.775 -1.582 1.00 0.00 O ATOM 211 CB GLU A 17 1.479 3.583 -1.016 1.00 0.00 C ATOM 212 CG GLU A 17 2.338 4.645 -1.709 1.00 0.00 C ATOM 213 CD GLU A 17 1.467 5.463 -2.655 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.638 6.214 -2.167 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.642 5.328 -3.856 1.00 0.00 O ATOM 0 H GLU A 17 3.023 4.435 0.724 1.00 0.00 H new ATOM 0 HA GLU A 17 1.748 1.963 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.929 3.005 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.740 4.062 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.799 5.297 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.148 4.169 -2.262 1.00 0.00 H new ATOM 222 N ASP A 18 4.453 2.427 -1.411 1.00 0.00 N ATOM 223 CA ASP A 18 5.408 1.766 -2.297 1.00 0.00 C ATOM 224 C ASP A 18 5.847 0.431 -1.703 1.00 0.00 C ATOM 225 O ASP A 18 5.967 -0.570 -2.410 1.00 0.00 O ATOM 226 CB ASP A 18 6.642 2.647 -2.505 1.00 0.00 C ATOM 227 CG ASP A 18 7.363 2.219 -3.779 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.939 1.145 -3.778 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.326 2.972 -4.738 1.00 0.00 O ATOM 0 H ASP A 18 4.763 3.327 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 18 4.917 1.595 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.347 3.694 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.312 2.562 -1.649 1.00 0.00 H new ATOM 234 N LEU A 19 6.082 0.427 -0.394 1.00 0.00 N ATOM 235 CA LEU A 19 6.505 -0.791 0.290 1.00 0.00 C ATOM 236 C LEU A 19 5.416 -1.855 0.198 1.00 0.00 C ATOM 237 O LEU A 19 5.700 -3.046 0.079 1.00 0.00 O ATOM 238 CB LEU A 19 6.797 -0.504 1.766 1.00 0.00 C ATOM 239 CG LEU A 19 7.815 -1.519 2.290 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.580 -0.912 3.467 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.084 -2.780 2.755 1.00 0.00 C ATOM 0 H LEU A 19 5.988 1.244 0.209 1.00 0.00 H new ATOM 0 HA LEU A 19 7.412 -1.153 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.184 0.508 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.877 -0.562 2.348 1.00 0.00 H new ATOM 0 HG LEU A 19 8.515 -1.776 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.305 -1.635 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.100 -0.013 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.880 -0.656 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.808 -3.504 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.385 -2.523 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.537 -3.213 1.918 1.00 0.00 H new ATOM 253 N LEU A 20 4.164 -1.407 0.252 1.00 0.00 N ATOM 254 CA LEU A 20 3.033 -2.327 0.172 1.00 0.00 C ATOM 255 C LEU A 20 2.973 -2.976 -1.208 1.00 0.00 C ATOM 256 O LEU A 20 2.611 -4.144 -1.347 1.00 0.00 O ATOM 257 CB LEU A 20 1.719 -1.587 0.435 1.00 0.00 C ATOM 258 CG LEU A 20 1.386 -1.651 1.926 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.343 -0.584 2.263 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.827 -3.035 2.263 1.00 0.00 C ATOM 0 H LEU A 20 3.909 -0.424 0.350 1.00 0.00 H new ATOM 0 HA LEU A 20 3.171 -3.097 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.804 -0.549 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.914 -2.035 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 20 2.290 -1.471 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.106 -0.630 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.740 0.402 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.561 -0.763 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.589 -3.082 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.077 -3.214 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.570 -3.796 2.023 1.00 0.00 H new ATOM 272 N ARG A 21 3.333 -2.202 -2.229 1.00 0.00 N ATOM 273 CA ARG A 21 3.319 -2.709 -3.599 1.00 0.00 C ATOM 274 C ARG A 21 4.299 -3.868 -3.747 1.00 0.00 C ATOM 275 O ARG A 21 4.013 -4.861 -4.417 1.00 0.00 O ATOM 276 CB ARG A 21 3.703 -1.604 -4.585 1.00 0.00 C ATOM 277 CG ARG A 21 2.723 -0.436 -4.454 1.00 0.00 C ATOM 278 CD ARG A 21 2.521 0.218 -5.822 1.00 0.00 C ATOM 279 NE ARG A 21 3.810 0.563 -6.428 1.00 0.00 N ATOM 280 CZ ARG A 21 3.899 1.281 -7.556 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.826 1.713 -8.173 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.076 1.557 -8.048 1.00 0.00 N ATOM 0 H ARG A 21 3.635 -1.232 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 21 2.309 -3.055 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.719 -1.263 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.689 -1.991 -5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.769 -0.790 -4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.106 0.296 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.976 -0.461 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.912 1.116 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 21 4.668 0.246 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.902 1.504 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.915 2.258 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.917 1.227 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.155 2.103 -8.906 1.00 0.00 H new ATOM 296 N LYS A 22 5.460 -3.728 -3.113 1.00 0.00 N ATOM 297 CA LYS A 22 6.483 -4.770 -3.179 1.00 0.00 C ATOM 298 C LYS A 22 5.961 -6.069 -2.575 1.00 0.00 C ATOM 299 O LYS A 22 6.169 -7.153 -3.120 1.00 0.00 O ATOM 300 CB LYS A 22 7.738 -4.335 -2.418 1.00 0.00 C ATOM 301 CG LYS A 22 8.910 -5.238 -2.809 1.00 0.00 C ATOM 302 CD LYS A 22 9.863 -5.381 -1.620 1.00 0.00 C ATOM 303 CE LYS A 22 9.474 -6.612 -0.800 1.00 0.00 C ATOM 304 NZ LYS A 22 9.920 -6.431 0.610 1.00 0.00 N ATOM 0 H LYS A 22 5.715 -2.914 -2.554 1.00 0.00 H new ATOM 0 HA LYS A 22 6.732 -4.932 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.973 -3.296 -2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.563 -4.393 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.542 -6.218 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.439 -4.816 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.890 -5.475 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.821 -4.488 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.395 -6.759 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.932 -7.505 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.656 -7.268 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.953 -6.311 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.463 -5.588 1.013 1.00 0.00 H new ATOM 318 N ARG A 23 5.280 -5.948 -1.438 1.00 0.00 N ATOM 319 CA ARG A 23 4.729 -7.120 -0.765 1.00 0.00 C ATOM 320 C ARG A 23 3.539 -7.671 -1.543 1.00 0.00 C ATOM 321 O ARG A 23 3.308 -8.879 -1.579 1.00 0.00 O ATOM 322 CB ARG A 23 4.276 -6.760 0.653 1.00 0.00 C ATOM 323 CG ARG A 23 4.477 -7.964 1.576 1.00 0.00 C ATOM 324 CD ARG A 23 3.292 -8.920 1.436 1.00 0.00 C ATOM 325 NE ARG A 23 3.162 -9.761 2.627 1.00 0.00 N ATOM 326 CZ ARG A 23 4.026 -10.749 2.900 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.037 -11.009 2.104 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.861 -11.465 3.978 1.00 0.00 N ATOM 0 H ARG A 23 5.098 -5.061 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 23 5.511 -7.878 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.845 -5.907 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.227 -6.465 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.404 -8.478 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.569 -7.631 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.375 -8.351 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.427 -9.547 0.555 1.00 0.00 H new ATOM 0 HE ARG A 23 2.389 -9.590 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.177 -10.455 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.683 -11.765 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.080 -11.271 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.513 -12.219 4.194 1.00 0.00 H new ATOM 342 N ARG A 24 2.788 -6.769 -2.168 1.00 0.00 N ATOM 343 CA ARG A 24 1.620 -7.171 -2.948 1.00 0.00 C ATOM 344 C ARG A 24 2.040 -8.060 -4.114 1.00 0.00 C ATOM 345 O ARG A 24 1.345 -9.009 -4.473 1.00 0.00 O ATOM 346 CB ARG A 24 0.893 -5.941 -3.494 1.00 0.00 C ATOM 347 CG ARG A 24 -0.431 -6.369 -4.132 1.00 0.00 C ATOM 348 CD ARG A 24 -1.067 -5.173 -4.842 1.00 0.00 C ATOM 349 NE ARG A 24 -2.476 -5.439 -5.140 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.276 -4.513 -5.687 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.830 -3.315 -5.978 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.524 -4.809 -5.935 1.00 0.00 N ATOM 0 H ARG A 24 2.964 -5.764 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 24 0.950 -7.726 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.708 -5.229 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.517 -5.435 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.260 -7.178 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.107 -6.753 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.984 -4.285 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.528 -4.963 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.861 -6.359 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.857 -3.073 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.456 -2.625 -6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.882 -5.738 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.141 -4.111 -6.351 1.00 0.00 H new ATOM 366 N GLU A 25 3.189 -7.739 -4.702 1.00 0.00 N ATOM 367 CA GLU A 25 3.698 -8.513 -5.831 1.00 0.00 C ATOM 368 C GLU A 25 4.144 -9.898 -5.373 1.00 0.00 C ATOM 369 O GLU A 25 3.840 -10.906 -6.010 1.00 0.00 O ATOM 370 CB GLU A 25 4.886 -7.797 -6.479 1.00 0.00 C ATOM 371 CG GLU A 25 4.387 -6.566 -7.237 1.00 0.00 C ATOM 372 CD GLU A 25 5.558 -5.629 -7.516 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.940 -4.907 -6.611 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.053 -5.647 -8.631 1.00 0.00 O ATOM 0 H GLU A 25 3.780 -6.957 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 25 2.892 -8.613 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.606 -7.501 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.404 -8.472 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.918 -6.868 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.626 -6.050 -6.652 1.00 0.00 H new ATOM 381 N GLN A 26 4.872 -9.934 -4.258 1.00 0.00 N ATOM 382 CA GLN A 26 5.360 -11.201 -3.718 1.00 0.00 C ATOM 383 C GLN A 26 4.192 -12.116 -3.358 1.00 0.00 C ATOM 384 O GLN A 26 4.289 -13.338 -3.458 1.00 0.00 O ATOM 385 CB GLN A 26 6.205 -10.958 -2.467 1.00 0.00 C ATOM 386 CG GLN A 26 7.632 -10.590 -2.879 1.00 0.00 C ATOM 387 CD GLN A 26 8.601 -10.986 -1.770 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.238 -10.128 -1.157 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.751 -12.248 -1.473 1.00 0.00 N ATOM 0 H GLN A 26 5.134 -9.110 -3.716 1.00 0.00 H new ATOM 0 HA GLN A 26 5.971 -11.678 -4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.769 -10.156 -1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.214 -11.851 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.897 -11.099 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.701 -9.519 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.223 -12.958 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.396 -12.525 -0.733 1.00 0.00 H new ATOM 398 N LEU A 27 3.086 -11.507 -2.939 1.00 0.00 N ATOM 399 CA LEU A 27 1.901 -12.276 -2.565 1.00 0.00 C ATOM 400 C LEU A 27 1.297 -12.954 -3.790 1.00 0.00 C ATOM 401 O LEU A 27 1.111 -14.171 -3.815 1.00 0.00 O ATOM 402 CB LEU A 27 0.849 -11.364 -1.931 1.00 0.00 C ATOM 403 CG LEU A 27 1.161 -11.180 -0.444 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.241 -10.109 0.141 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.933 -12.503 0.290 1.00 0.00 C ATOM 0 H LEU A 27 2.985 -10.496 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 27 2.206 -13.034 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.840 -10.397 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.144 -11.796 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 27 2.200 -10.871 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.463 -9.978 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.401 -9.167 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.798 -10.418 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.155 -12.374 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.106 -12.811 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.588 -13.268 -0.127 1.00 0.00 H new ATOM 417 N LYS A 28 0.990 -12.152 -4.805 1.00 0.00 N ATOM 418 CA LYS A 28 0.403 -12.684 -6.033 1.00 0.00 C ATOM 419 C LYS A 28 1.357 -13.669 -6.702 1.00 0.00 C ATOM 420 O LYS A 28 0.929 -14.609 -7.373 1.00 0.00 O ATOM 421 CB LYS A 28 0.086 -11.550 -7.013 1.00 0.00 C ATOM 422 CG LYS A 28 1.348 -10.726 -7.273 1.00 0.00 C ATOM 423 CD LYS A 28 1.102 -9.771 -8.444 1.00 0.00 C ATOM 424 CE LYS A 28 1.250 -10.534 -9.763 1.00 0.00 C ATOM 425 NZ LYS A 28 0.574 -9.776 -10.853 1.00 0.00 N ATOM 0 H LYS A 28 1.135 -11.142 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.519 -13.200 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.291 -11.961 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.699 -10.913 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.617 -10.162 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.186 -11.386 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.104 -9.339 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.811 -8.944 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.305 -10.670 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.813 -11.528 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.674 -10.294 -11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.435 -9.668 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.011 -8.837 -10.945 1.00 0.00 H new ATOM 439 N HIS A 29 2.656 -13.445 -6.515 1.00 0.00 N ATOM 440 CA HIS A 29 3.663 -14.321 -7.109 1.00 0.00 C ATOM 441 C HIS A 29 3.586 -15.716 -6.494 1.00 0.00 C ATOM 442 O HIS A 29 3.836 -16.719 -7.163 1.00 0.00 O ATOM 443 CB HIS A 29 5.065 -13.752 -6.886 1.00 0.00 C ATOM 444 CG HIS A 29 5.325 -12.655 -7.881 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.901 -11.416 -7.750 1.00 0.00 N flip ATOM 446 CD2 HIS A 29 4.974 -12.771 -9.215 1.00 0.00 C flip ATOM 447 CE1 HIS A 29 5.908 -10.770 -8.984 1.00 0.00 C flip ATOM 448 NE2 HIS A 29 5.337 -11.631 -9.831 1.00 0.00 N flip ATOM 0 H HIS A 29 3.033 -12.674 -5.964 1.00 0.00 H new ATOM 0 HA HIS A 29 3.465 -14.386 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.155 -13.366 -5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.810 -14.540 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.496 -13.622 -9.677 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.292 -9.786 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.194 -11.447 -10.824 1.00 0.00 H new ATOM 647 N LYS B 9 -4.466 15.317 -1.877 1.00 0.00 N ATOM 648 CA LYS B 9 -3.217 14.594 -2.100 1.00 0.00 C ATOM 649 C LYS B 9 -3.050 13.490 -1.061 1.00 0.00 C ATOM 650 O LYS B 9 -2.811 12.331 -1.398 1.00 0.00 O ATOM 651 CB LYS B 9 -2.023 15.548 -2.011 1.00 0.00 C ATOM 652 CG LYS B 9 -0.879 15.015 -2.875 1.00 0.00 C ATOM 653 CD LYS B 9 0.338 15.932 -2.730 1.00 0.00 C ATOM 654 CE LYS B 9 0.311 16.993 -3.833 1.00 0.00 C ATOM 655 NZ LYS B 9 0.863 16.416 -5.090 1.00 0.00 N ATOM 0 HA LYS B 9 -3.255 14.153 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.313 16.543 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.697 15.644 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.622 14.000 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.189 14.966 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.332 16.410 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS B 9 1.256 15.348 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.710 17.338 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.896 17.862 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.845 17.136 -5.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.843 16.108 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.287 15.600 -5.380 1.00 0.00 H new ATOM 669 N ASN B 10 -3.180 13.865 0.209 1.00 0.00 N ATOM 670 CA ASN B 10 -3.042 12.900 1.296 1.00 0.00 C ATOM 671 C ASN B 10 -4.119 11.825 1.193 1.00 0.00 C ATOM 672 O ASN B 10 -3.884 10.658 1.506 1.00 0.00 O ATOM 673 CB ASN B 10 -3.166 13.599 2.651 1.00 0.00 C ATOM 674 CG ASN B 10 -2.159 14.742 2.730 1.00 0.00 C ATOM 675 OD1 ASN B 10 -2.496 15.847 3.153 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.930 14.541 2.341 1.00 0.00 N ATOM 0 H ASN B 10 -3.379 14.820 0.509 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.058 12.439 1.214 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.178 13.982 2.783 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.987 12.887 3.457 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.250 15.300 2.388 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -0.649 13.625 1.990 1.00 0.00 H new ATOM 683 N ASP B 11 -5.305 12.232 0.750 1.00 0.00 N ATOM 684 CA ASP B 11 -6.417 11.296 0.609 1.00 0.00 C ATOM 685 C ASP B 11 -6.086 10.230 -0.430 1.00 0.00 C ATOM 686 O ASP B 11 -6.400 9.053 -0.255 1.00 0.00 O ATOM 687 CB ASP B 11 -7.687 12.034 0.180 1.00 0.00 C ATOM 688 CG ASP B 11 -8.399 12.578 1.413 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.445 11.873 2.408 1.00 0.00 O ATOM 690 OD2 ASP B 11 -8.888 13.695 1.346 1.00 0.00 O ATOM 0 H ASP B 11 -5.520 13.193 0.485 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.583 10.822 1.576 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.435 12.850 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.346 11.359 -0.366 1.00 0.00 H new ATOM 695 N THR B 12 -5.445 10.657 -1.516 1.00 0.00 N ATOM 696 CA THR B 12 -5.073 9.731 -2.582 1.00 0.00 C ATOM 697 C THR B 12 -4.112 8.671 -2.053 1.00 0.00 C ATOM 698 O THR B 12 -4.128 7.521 -2.493 1.00 0.00 O ATOM 699 CB THR B 12 -4.400 10.482 -3.734 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.178 11.622 -4.071 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.288 9.561 -4.950 1.00 0.00 C ATOM 0 H THR B 12 -5.175 11.627 -1.680 1.00 0.00 H new ATOM 0 HA THR B 12 -5.982 9.251 -2.944 1.00 0.00 H new ATOM 0 HB THR B 12 -3.403 10.799 -3.429 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.748 12.105 -4.807 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.809 10.097 -5.769 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.692 8.686 -4.690 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.284 9.242 -5.258 1.00 0.00 H new ATOM 709 N HIS B 13 -3.275 9.072 -1.102 1.00 0.00 N ATOM 710 CA HIS B 13 -2.308 8.151 -0.512 1.00 0.00 C ATOM 711 C HIS B 13 -2.982 7.271 0.535 1.00 0.00 C ATOM 712 O HIS B 13 -2.620 6.109 0.720 1.00 0.00 O ATOM 713 CB HIS B 13 -1.165 8.924 0.147 1.00 0.00 C ATOM 714 CG HIS B 13 -0.372 9.646 -0.907 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.396 8.972 -1.844 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.218 10.981 -1.186 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.973 9.895 -2.635 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.632 11.135 -2.277 1.00 0.00 N ATOM 0 H HIS B 13 -3.245 10.019 -0.725 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.909 7.525 -1.310 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.563 9.637 0.869 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.519 8.240 0.697 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.504 7.961 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.685 11.789 -0.642 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.631 9.661 -3.459 1.00 0.00 H new ATOM 726 N GLN B 14 -3.968 7.842 1.221 1.00 0.00 N ATOM 727 CA GLN B 14 -4.693 7.105 2.254 1.00 0.00 C ATOM 728 C GLN B 14 -5.537 6.001 1.628 1.00 0.00 C ATOM 729 O GLN B 14 -5.587 4.877 2.130 1.00 0.00 O ATOM 730 CB GLN B 14 -5.608 8.047 3.040 1.00 0.00 C ATOM 731 CG GLN B 14 -5.994 7.393 4.367 1.00 0.00 C ATOM 732 CD GLN B 14 -4.762 7.288 5.261 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.034 8.264 5.443 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.483 6.150 5.834 1.00 0.00 N ATOM 0 H GLN B 14 -4.282 8.803 1.083 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.960 6.663 2.929 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.101 8.995 3.223 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.503 8.271 2.459 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.767 7.980 4.863 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -6.412 6.402 4.188 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.086 5.342 5.683 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.661 6.069 6.433 1.00 0.00 H new ATOM 743 N GLN B 15 -6.203 6.331 0.525 1.00 0.00 N ATOM 744 CA GLN B 15 -7.046 5.360 -0.166 1.00 0.00 C ATOM 745 C GLN B 15 -6.191 4.265 -0.797 1.00 0.00 C ATOM 746 O GLN B 15 -6.443 3.076 -0.605 1.00 0.00 O ATOM 747 CB GLN B 15 -7.869 6.044 -1.258 1.00 0.00 C ATOM 748 CG GLN B 15 -8.975 6.883 -0.615 1.00 0.00 C ATOM 749 CD GLN B 15 -9.998 7.276 -1.676 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.465 6.431 -2.441 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.378 8.520 -1.770 1.00 0.00 N ATOM 0 H GLN B 15 -6.176 7.255 0.093 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.719 4.917 0.568 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.226 6.678 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.304 5.297 -1.922 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.460 6.317 0.180 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.549 7.776 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.992 9.220 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.061 8.793 -2.477 1.00 0.00 H new ATOM 760 N ASP B 16 -5.178 4.681 -1.553 1.00 0.00 N ATOM 761 CA ASP B 16 -4.287 3.726 -2.212 1.00 0.00 C ATOM 762 C ASP B 16 -3.604 2.833 -1.179 1.00 0.00 C ATOM 763 O ASP B 16 -3.432 1.632 -1.389 1.00 0.00 O ATOM 764 CB ASP B 16 -3.217 4.462 -3.021 1.00 0.00 C ATOM 765 CG ASP B 16 -2.766 3.585 -4.184 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.220 2.526 -3.926 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.973 3.986 -5.317 1.00 0.00 O ATOM 0 H ASP B 16 -4.954 5.661 -1.724 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.889 3.112 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.614 5.405 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.367 4.705 -2.384 1.00 0.00 H new ATOM 772 N ILE B 17 -3.222 3.438 -0.058 1.00 0.00 N ATOM 773 CA ILE B 17 -2.562 2.695 1.011 1.00 0.00 C ATOM 774 C ILE B 17 -3.516 1.644 1.582 1.00 0.00 C ATOM 775 O ILE B 17 -3.374 0.447 1.335 1.00 0.00 O ATOM 776 CB ILE B 17 -2.108 3.669 2.128 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.788 4.321 1.713 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.907 2.936 3.471 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.483 5.494 2.647 1.00 0.00 C ATOM 0 H ILE B 17 -3.356 4.431 0.133 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.685 2.190 0.606 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.886 4.421 2.263 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.020 3.590 1.754 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.850 4.670 0.682 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.589 3.650 4.231 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.845 2.474 3.777 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.144 2.166 3.355 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.458 5.959 2.352 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.286 6.228 2.584 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.403 5.132 3.672 1.00 0.00 H new ATOM 791 N ASP B 18 -4.470 2.118 2.381 1.00 0.00 N ATOM 792 CA ASP B 18 -5.439 1.241 3.035 1.00 0.00 C ATOM 793 C ASP B 18 -6.014 0.200 2.067 1.00 0.00 C ATOM 794 O ASP B 18 -6.379 -0.905 2.466 1.00 0.00 O ATOM 795 CB ASP B 18 -6.588 2.068 3.623 1.00 0.00 C ATOM 796 CG ASP B 18 -6.318 2.354 5.096 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.164 1.403 5.846 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.268 3.518 5.455 1.00 0.00 O ATOM 0 H ASP B 18 -4.593 3.108 2.592 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.911 0.714 3.830 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.692 3.004 3.075 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.529 1.529 3.514 1.00 0.00 H new ATOM 803 N ASP B 19 -6.084 0.568 0.791 1.00 0.00 N ATOM 804 CA ASP B 19 -6.612 -0.341 -0.224 1.00 0.00 C ATOM 805 C ASP B 19 -5.593 -1.434 -0.538 1.00 0.00 C ATOM 806 O ASP B 19 -5.949 -2.592 -0.752 1.00 0.00 O ATOM 807 CB ASP B 19 -6.944 0.420 -1.510 1.00 0.00 C ATOM 808 CG ASP B 19 -7.677 -0.506 -2.476 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.010 -1.271 -3.154 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.895 -0.436 -2.525 1.00 0.00 O ATOM 0 H ASP B 19 -5.786 1.477 0.437 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.522 -0.793 0.170 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.563 1.288 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.029 0.793 -1.971 1.00 0.00 H new ATOM 815 N LEU B 20 -4.321 -1.048 -0.561 1.00 0.00 N ATOM 816 CA LEU B 20 -3.250 -2.001 -0.847 1.00 0.00 C ATOM 817 C LEU B 20 -3.208 -3.087 0.222 1.00 0.00 C ATOM 818 O LEU B 20 -3.087 -4.274 -0.082 1.00 0.00 O ATOM 819 CB LEU B 20 -1.897 -1.289 -0.887 1.00 0.00 C ATOM 820 CG LEU B 20 -1.707 -0.632 -2.255 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.549 0.367 -2.186 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.388 -1.707 -3.296 1.00 0.00 C ATOM 0 H LEU B 20 -4.007 -0.093 -0.387 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.450 -2.453 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.847 -0.536 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.094 -2.001 -0.699 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.622 -0.110 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.414 0.835 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.773 1.133 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.365 -0.155 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.252 -1.240 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.473 -2.228 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.211 -2.420 -3.346 1.00 0.00 H new ATOM 834 N LYS B 21 -3.313 -2.667 1.480 1.00 0.00 N ATOM 835 CA LYS B 21 -3.287 -3.611 2.593 1.00 0.00 C ATOM 836 C LYS B 21 -4.492 -4.543 2.527 1.00 0.00 C ATOM 837 O LYS B 21 -4.416 -5.709 2.917 1.00 0.00 O ATOM 838 CB LYS B 21 -3.304 -2.867 3.930 1.00 0.00 C ATOM 839 CG LYS B 21 -1.874 -2.490 4.324 1.00 0.00 C ATOM 840 CD LYS B 21 -1.854 -2.018 5.779 1.00 0.00 C ATOM 841 CE LYS B 21 -2.378 -0.583 5.860 1.00 0.00 C ATOM 842 NZ LYS B 21 -2.524 -0.188 7.289 1.00 0.00 N ATOM 0 H LYS B 21 -3.416 -1.689 1.752 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.370 -4.195 2.517 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.919 -1.970 3.851 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.752 -3.494 4.701 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.213 -3.348 4.200 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.501 -1.702 3.670 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.469 -2.676 6.394 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.839 -2.068 6.174 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.692 0.095 5.352 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -3.338 -0.506 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -2.880 0.787 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.194 -0.829 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.599 -0.246 7.762 1.00 0.00 H new ATOM 856 N ARG B 22 -5.606 -4.015 2.028 1.00 0.00 N ATOM 857 CA ARG B 22 -6.826 -4.806 1.912 1.00 0.00 C ATOM 858 C ARG B 22 -6.608 -5.984 0.968 1.00 0.00 C ATOM 859 O ARG B 22 -7.072 -7.096 1.220 1.00 0.00 O ATOM 860 CB ARG B 22 -7.971 -3.944 1.377 1.00 0.00 C ATOM 861 CG ARG B 22 -8.574 -3.126 2.523 1.00 0.00 C ATOM 862 CD ARG B 22 -9.445 -4.033 3.393 1.00 0.00 C ATOM 863 NE ARG B 22 -10.819 -4.070 2.887 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.717 -4.964 3.329 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.402 -5.852 4.241 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.927 -4.949 2.840 1.00 0.00 N ATOM 0 H ARG B 22 -5.689 -3.053 1.701 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.084 -5.178 2.904 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.605 -3.279 0.595 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.736 -4.576 0.926 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.780 -2.681 3.123 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.170 -2.305 2.124 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.030 -5.041 3.406 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.440 -3.673 4.422 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.102 -3.395 2.176 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.459 -5.872 4.629 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.100 -6.522 4.563 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.182 -4.263 2.130 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.618 -5.624 3.168 1.00 0.00 H new ATOM 880 N GLN B 23 -5.890 -5.727 -0.122 1.00 0.00 N ATOM 881 CA GLN B 23 -5.609 -6.772 -1.102 1.00 0.00 C ATOM 882 C GLN B 23 -4.511 -7.696 -0.588 1.00 0.00 C ATOM 883 O GLN B 23 -4.555 -8.910 -0.790 1.00 0.00 O ATOM 884 CB GLN B 23 -5.162 -6.157 -2.430 1.00 0.00 C ATOM 885 CG GLN B 23 -6.386 -5.898 -3.311 1.00 0.00 C ATOM 886 CD GLN B 23 -6.686 -7.141 -4.142 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.257 -7.244 -5.292 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.403 -8.099 -3.624 1.00 0.00 N ATOM 0 H GLN B 23 -5.496 -4.814 -0.348 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.524 -7.343 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.627 -5.225 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.470 -6.828 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.246 -5.645 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.203 -5.046 -3.965 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.758 -8.013 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.609 -8.935 -4.171 1.00 0.00 H new ATOM 897 N ASN B 24 -3.524 -7.107 0.082 1.00 0.00 N ATOM 898 CA ASN B 24 -2.414 -7.884 0.624 1.00 0.00 C ATOM 899 C ASN B 24 -2.901 -8.785 1.754 1.00 0.00 C ATOM 900 O ASN B 24 -2.411 -9.900 1.935 1.00 0.00 O ATOM 901 CB ASN B 24 -1.322 -6.955 1.164 1.00 0.00 C ATOM 902 CG ASN B 24 -0.450 -6.450 0.014 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.715 -6.738 -1.156 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.586 -5.704 0.278 1.00 0.00 N ATOM 0 H ASN B 24 -3.470 -6.104 0.261 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.005 -8.495 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.775 -6.112 1.685 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.708 -7.486 1.891 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.174 -5.361 -0.481 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.808 -5.464 1.244 1.00 0.00 H new ATOM 911 N ALA B 25 -3.873 -8.287 2.513 1.00 0.00 N ATOM 912 CA ALA B 25 -4.425 -9.053 3.628 1.00 0.00 C ATOM 913 C ALA B 25 -5.329 -10.167 3.110 1.00 0.00 C ATOM 914 O ALA B 25 -5.279 -11.300 3.589 1.00 0.00 O ATOM 915 CB ALA B 25 -5.234 -8.145 4.554 1.00 0.00 C ATOM 0 H ALA B 25 -4.292 -7.366 2.379 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.593 -9.487 4.183 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.637 -8.733 5.379 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.589 -7.361 4.949 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.054 -7.693 3.995 1.00 0.00 H new ATOM 921 N LEU B 26 -6.157 -9.832 2.123 1.00 0.00 N ATOM 922 CA LEU B 26 -7.073 -10.810 1.542 1.00 0.00 C ATOM 923 C LEU B 26 -6.296 -11.970 0.926 1.00 0.00 C ATOM 924 O LEU B 26 -6.680 -13.133 1.058 1.00 0.00 O ATOM 925 CB LEU B 26 -7.937 -10.160 0.460 1.00 0.00 C ATOM 926 CG LEU B 26 -9.121 -9.446 1.112 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.669 -8.386 0.155 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.220 -10.465 1.426 1.00 0.00 C ATOM 0 H LEU B 26 -6.213 -8.900 1.712 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.713 -11.185 2.341 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.343 -9.450 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.295 -10.917 -0.238 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.793 -8.967 2.035 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.513 -7.877 0.620 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.887 -7.660 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.997 -8.864 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.065 -9.957 1.891 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.547 -10.943 0.503 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.831 -11.221 2.108 1.00 0.00 H new ATOM 940 N LEU B 27 -5.198 -11.640 0.254 1.00 0.00 N ATOM 941 CA LEU B 27 -4.368 -12.661 -0.379 1.00 0.00 C ATOM 942 C LEU B 27 -3.735 -13.562 0.677 1.00 0.00 C ATOM 943 O LEU B 27 -3.908 -14.779 0.661 1.00 0.00 O ATOM 944 CB LEU B 27 -3.261 -12.012 -1.210 1.00 0.00 C ATOM 945 CG LEU B 27 -3.866 -11.388 -2.469 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.801 -10.562 -3.192 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.367 -12.497 -3.396 1.00 0.00 C ATOM 0 H LEU B 27 -4.864 -10.684 0.134 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.007 -13.258 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.751 -11.249 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.513 -12.756 -1.484 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.699 -10.742 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.232 -10.117 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.443 -9.772 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.968 -11.207 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.798 -12.054 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.534 -13.142 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.126 -13.086 -2.881 1.00 0.00 H new ATOM 959 N GLU B 28 -2.999 -12.946 1.599 1.00 0.00 N ATOM 960 CA GLU B 28 -2.337 -13.696 2.667 1.00 0.00 C ATOM 961 C GLU B 28 -3.361 -14.473 3.493 1.00 0.00 C ATOM 962 O GLU B 28 -3.158 -15.642 3.821 1.00 0.00 O ATOM 963 CB GLU B 28 -1.570 -12.740 3.587 1.00 0.00 C ATOM 964 CG GLU B 28 -0.766 -13.543 4.614 1.00 0.00 C ATOM 965 CD GLU B 28 0.561 -12.844 4.886 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.448 -12.955 4.056 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.671 -12.208 5.921 1.00 0.00 O ATOM 0 H GLU B 28 -2.846 -11.938 1.630 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.641 -14.398 2.207 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.901 -12.112 2.998 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.266 -12.074 4.097 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.334 -13.640 5.539 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.587 -14.552 4.242 1.00 0.00 H new ATOM 974 N GLN B 29 -4.466 -13.807 3.826 1.00 0.00 N ATOM 975 CA GLN B 29 -5.525 -14.436 4.619 1.00 0.00 C ATOM 976 C GLN B 29 -6.000 -15.733 3.963 1.00 0.00 C ATOM 977 O GLN B 29 -6.422 -16.669 4.642 1.00 0.00 O ATOM 978 CB GLN B 29 -6.718 -13.487 4.763 1.00 0.00 C ATOM 979 CG GLN B 29 -7.716 -14.067 5.767 1.00 0.00 C ATOM 980 CD GLN B 29 -8.722 -12.991 6.164 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.451 -12.170 7.039 1.00 0.00 O ATOM 982 NE2 GLN B 29 -9.882 -12.948 5.564 1.00 0.00 N ATOM 0 H GLN B 29 -4.652 -12.839 3.562 1.00 0.00 H new ATOM 0 HA GLN B 29 -5.113 -14.662 5.603 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.378 -12.507 5.098 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.201 -13.344 3.796 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -8.234 -14.920 5.329 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.190 -14.432 6.649 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.106 -13.629 4.838 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.563 -12.234 5.821 1.00 0.00 H new ATOM 991 N GLN B 30 -5.922 -15.778 2.636 1.00 0.00 N ATOM 992 CA GLN B 30 -6.343 -16.966 1.899 1.00 0.00 C ATOM 993 C GLN B 30 -5.167 -17.923 1.720 1.00 0.00 C ATOM 994 O GLN B 30 -5.336 -19.142 1.700 1.00 0.00 O ATOM 995 CB GLN B 30 -6.886 -16.579 0.523 1.00 0.00 C ATOM 996 CG GLN B 30 -8.193 -15.802 0.689 1.00 0.00 C ATOM 997 CD GLN B 30 -8.713 -15.381 -0.682 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.102 -14.555 -1.359 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.820 -15.907 -1.135 1.00 0.00 N ATOM 0 H GLN B 30 -5.575 -15.015 2.054 1.00 0.00 H new ATOM 0 HA GLN B 30 -7.129 -17.458 2.472 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.155 -15.971 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -7.056 -17.473 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -8.934 -16.420 1.197 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -8.029 -14.923 1.313 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -10.326 -16.592 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.178 -15.633 -2.050 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.971 -17.353 1.592 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.765 -18.158 1.416 1.00 0.00 C ATOM 1010 C VAL B 31 -2.404 -18.866 2.722 1.00 0.00 C ATOM 1011 O VAL B 31 -1.854 -19.968 2.713 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.595 -17.269 0.972 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.349 -18.127 0.724 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.970 -16.534 -0.320 1.00 0.00 C ATOM 0 H VAL B 31 -3.812 -16.346 1.607 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.959 -18.906 0.647 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.382 -16.545 1.758 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.476 -17.488 0.409 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -0.076 -18.646 1.643 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.560 -18.858 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.138 -15.903 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -2.189 -17.261 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.849 -15.914 -0.144 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.716 -18.220 3.843 1.00 0.00 N ATOM 1025 CA ARG B 32 -2.413 -18.799 5.151 1.00 0.00 C ATOM 1026 C ARG B 32 -3.131 -20.139 5.334 1.00 0.00 C ATOM 1027 O ARG B 32 -2.674 -21.001 6.085 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.830 -17.842 6.275 1.00 0.00 C ATOM 1029 CG ARG B 32 -4.340 -17.557 6.201 1.00 0.00 C ATOM 1030 CD ARG B 32 -5.005 -17.922 7.532 1.00 0.00 C ATOM 1031 NE ARG B 32 -6.142 -17.041 7.805 1.00 0.00 N ATOM 1032 CZ ARG B 32 -7.343 -17.228 7.237 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -7.554 -18.212 6.394 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -8.321 -16.414 7.525 1.00 0.00 N ATOM 0 H ARG B 32 -3.172 -17.308 3.874 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.337 -18.963 5.199 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.582 -18.277 7.243 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.272 -16.909 6.193 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -4.510 -16.504 5.976 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -4.788 -18.132 5.391 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -5.341 -18.958 7.503 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -4.278 -17.845 8.340 1.00 0.00 H new ATOM 0 HE ARG B 32 -6.017 -16.259 8.448 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -6.797 -18.853 6.159 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -8.475 -18.335 5.974 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -8.169 -15.644 8.177 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -9.238 -16.547 7.099 1.00 0.00 H new ATOM 1048 N ALA B 33 -4.257 -20.303 4.645 1.00 0.00 N ATOM 1049 CA ALA B 33 -5.025 -21.541 4.746 1.00 0.00 C ATOM 1050 C ALA B 33 -4.676 -22.479 3.596 1.00 0.00 C ATOM 1051 O ALA B 33 -4.352 -23.648 3.804 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.526 -21.247 4.712 1.00 0.00 C ATOM 0 H ALA B 33 -4.655 -19.604 4.018 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.772 -22.017 5.693 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -7.082 -22.182 4.788 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.789 -20.599 5.548 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.778 -20.750 3.775 1.00 0.00 H new ATOM 1058 N LEU B 34 -4.748 -21.953 2.377 1.00 0.00 N ATOM 1059 CA LEU B 34 -4.439 -22.750 1.193 1.00 0.00 C ATOM 1060 C LEU B 34 -2.931 -22.809 0.970 1.00 0.00 C ATOM 1061 O LEU B 34 -2.355 -21.943 0.313 1.00 0.00 O ATOM 1062 CB LEU B 34 -5.102 -22.149 -0.047 1.00 0.00 C ATOM 1063 CG LEU B 34 -6.618 -22.328 0.048 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -7.315 -21.173 -0.673 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -7.017 -23.652 -0.609 1.00 0.00 C ATOM 0 H LEU B 34 -5.015 -20.988 2.183 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.823 -23.757 1.357 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -4.854 -21.091 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.723 -22.635 -0.946 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.917 -22.336 1.096 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.395 -21.301 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.031 -20.229 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.016 -21.165 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -8.097 -23.781 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -6.717 -23.643 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.521 -24.476 -0.097 1.00 0.00 H new