USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=4 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 Set 1.1: B 23 GLN : amide:sc= -5.44 X(o=-9.3,f=-9.7!) USER MOD Set 1.2: B 24 ASN : amide:sc= -3.88 K(o=-9.3,f=-20!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 12 LYS NZ :NH3+ -145:sc=-0.00062 (180deg=-0.0618) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.5 X(o=-2.5,f=-2.4) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -2.52 K(o=-2.5,f=-7.9!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -2.45 X(o=-2.5,f=-2.3!) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.8!) USER MOD Single : B 21 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0428) USER MOD Single : B 29 GLN : amide:sc= -0.0216 K(o=-0.022,f=-1.9!) USER MOD Single : B 30 GLN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 3.787 18.359 2.362 1.00 0.00 N ATOM 48 CA GLN A 7 4.990 17.823 1.734 1.00 0.00 C ATOM 49 C GLN A 7 5.612 16.739 2.610 1.00 0.00 C ATOM 50 O GLN A 7 6.202 15.781 2.113 1.00 0.00 O ATOM 51 CB GLN A 7 6.019 18.933 1.509 1.00 0.00 C ATOM 52 CG GLN A 7 6.874 18.598 0.285 1.00 0.00 C ATOM 53 CD GLN A 7 8.261 19.208 0.452 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.098 18.674 1.181 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.558 20.306 -0.187 1.00 0.00 N ATOM 0 HA GLN A 7 4.704 17.394 0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.513 19.887 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.652 19.040 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.952 17.517 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.402 18.984 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.865 20.748 -0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.483 20.722 -0.083 1.00 0.00 H new ATOM 64 N ALA A 8 5.471 16.905 3.923 1.00 0.00 N ATOM 65 CA ALA A 8 6.023 15.937 4.867 1.00 0.00 C ATOM 66 C ALA A 8 5.267 14.614 4.778 1.00 0.00 C ATOM 67 O ALA A 8 5.859 13.558 4.568 1.00 0.00 O ATOM 68 CB ALA A 8 5.929 16.469 6.297 1.00 0.00 C ATOM 0 H ALA A 8 4.985 17.691 4.354 1.00 0.00 H new ATOM 0 HA ALA A 8 7.070 15.776 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.345 15.734 6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.490 17.400 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.885 16.652 6.549 1.00 0.00 H new ATOM 74 N GLU A 9 3.949 14.688 4.944 1.00 0.00 N ATOM 75 CA GLU A 9 3.116 13.489 4.882 1.00 0.00 C ATOM 76 C GLU A 9 3.220 12.830 3.509 1.00 0.00 C ATOM 77 O GLU A 9 3.114 11.611 3.380 1.00 0.00 O ATOM 78 CB GLU A 9 1.651 13.838 5.162 1.00 0.00 C ATOM 79 CG GLU A 9 1.178 14.911 4.178 1.00 0.00 C ATOM 80 CD GLU A 9 -0.322 15.128 4.343 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.788 15.074 5.469 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.983 15.345 3.341 1.00 0.00 O ATOM 0 H GLU A 9 3.439 15.554 5.120 1.00 0.00 H new ATOM 0 HA GLU A 9 3.474 12.794 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.031 12.947 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.542 14.196 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.713 15.844 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.402 14.606 3.156 1.00 0.00 H new ATOM 89 N GLU A 10 3.426 13.653 2.483 1.00 0.00 N ATOM 90 CA GLU A 10 3.540 13.141 1.119 1.00 0.00 C ATOM 91 C GLU A 10 4.726 12.188 1.000 1.00 0.00 C ATOM 92 O GLU A 10 4.574 11.030 0.610 1.00 0.00 O ATOM 93 CB GLU A 10 3.726 14.293 0.129 1.00 0.00 C ATOM 94 CG GLU A 10 3.533 13.776 -1.299 1.00 0.00 C ATOM 95 CD GLU A 10 4.351 14.626 -2.263 1.00 0.00 C ATOM 96 OE1 GLU A 10 4.304 15.839 -2.141 1.00 0.00 O ATOM 97 OE2 GLU A 10 5.014 14.052 -3.112 1.00 0.00 O ATOM 0 H GLU A 10 3.517 14.665 2.568 1.00 0.00 H new ATOM 0 HA GLU A 10 2.620 12.605 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.009 15.087 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.721 14.724 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.843 12.733 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.478 13.813 -1.571 1.00 0.00 H new ATOM 104 N GLN A 11 5.911 12.689 1.340 1.00 0.00 N ATOM 105 CA GLN A 11 7.122 11.874 1.267 1.00 0.00 C ATOM 106 C GLN A 11 7.015 10.664 2.192 1.00 0.00 C ATOM 107 O GLN A 11 7.586 9.607 1.921 1.00 0.00 O ATOM 108 CB GLN A 11 8.349 12.700 1.662 1.00 0.00 C ATOM 109 CG GLN A 11 8.133 13.311 3.049 1.00 0.00 C ATOM 110 CD GLN A 11 9.439 13.926 3.542 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.173 14.542 2.769 1.00 0.00 O ATOM 112 NE2 GLN A 11 9.775 13.796 4.796 1.00 0.00 N ATOM 0 H GLN A 11 6.059 13.644 1.665 1.00 0.00 H new ATOM 0 HA GLN A 11 7.231 11.531 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.238 12.070 1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.520 13.488 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.354 14.072 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.793 12.546 3.746 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.167 13.286 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.646 14.205 5.136 1.00 0.00 H new ATOM 121 N LYS A 12 6.280 10.830 3.289 1.00 0.00 N ATOM 122 CA LYS A 12 6.107 9.743 4.250 1.00 0.00 C ATOM 123 C LYS A 12 5.088 8.731 3.734 1.00 0.00 C ATOM 124 O LYS A 12 5.188 7.534 4.008 1.00 0.00 O ATOM 125 CB LYS A 12 5.631 10.290 5.597 1.00 0.00 C ATOM 126 CG LYS A 12 6.209 9.439 6.730 1.00 0.00 C ATOM 127 CD LYS A 12 5.404 8.146 6.859 1.00 0.00 C ATOM 128 CE LYS A 12 5.519 7.613 8.290 1.00 0.00 C ATOM 129 NZ LYS A 12 4.606 8.382 9.181 1.00 0.00 N ATOM 0 H LYS A 12 5.800 11.696 3.533 1.00 0.00 H new ATOM 0 HA LYS A 12 7.071 9.252 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.945 11.327 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.542 10.280 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.256 9.210 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.178 9.994 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.359 8.330 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.773 7.403 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.263 6.554 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.547 7.702 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.043 8.487 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.433 9.323 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.703 7.874 9.275 1.00 0.00 H new ATOM 143 N LEU A 13 4.106 9.224 2.987 1.00 0.00 N ATOM 144 CA LEU A 13 3.069 8.355 2.438 1.00 0.00 C ATOM 145 C LEU A 13 3.622 7.525 1.283 1.00 0.00 C ATOM 146 O LEU A 13 3.342 6.331 1.168 1.00 0.00 O ATOM 147 CB LEU A 13 1.888 9.183 1.931 1.00 0.00 C ATOM 148 CG LEU A 13 1.063 9.679 3.120 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.258 10.913 2.705 1.00 0.00 C ATOM 150 CD2 LEU A 13 0.104 8.573 3.572 1.00 0.00 C ATOM 0 H LEU A 13 4.005 10.211 2.749 1.00 0.00 H new ATOM 0 HA LEU A 13 2.733 7.692 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.248 10.030 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.266 8.581 1.269 1.00 0.00 H new ATOM 0 HG LEU A 13 1.731 9.941 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.330 11.266 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.939 11.700 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.410 10.653 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.484 8.925 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.563 8.312 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.676 7.694 3.868 1.00 0.00 H new ATOM 162 N ILE A 14 4.408 8.172 0.429 1.00 0.00 N ATOM 163 CA ILE A 14 4.999 7.486 -0.719 1.00 0.00 C ATOM 164 C ILE A 14 5.946 6.385 -0.250 1.00 0.00 C ATOM 165 O ILE A 14 5.857 5.239 -0.692 1.00 0.00 O ATOM 166 CB ILE A 14 5.771 8.481 -1.594 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.829 9.610 -2.026 1.00 0.00 C ATOM 168 CG2 ILE A 14 6.324 7.773 -2.841 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.645 10.869 -2.324 1.00 0.00 C ATOM 0 H ILE A 14 4.650 9.160 0.506 1.00 0.00 H new ATOM 0 HA ILE A 14 4.193 7.042 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 14 6.603 8.890 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.267 9.310 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.102 9.813 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.870 8.490 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.996 6.971 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.499 7.356 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.975 11.672 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.187 11.171 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.354 10.662 -3.125 1.00 0.00 H new ATOM 181 N SER A 15 6.862 6.747 0.644 1.00 0.00 N ATOM 182 CA SER A 15 7.833 5.782 1.159 1.00 0.00 C ATOM 183 C SER A 15 7.124 4.598 1.815 1.00 0.00 C ATOM 184 O SER A 15 7.484 3.440 1.595 1.00 0.00 O ATOM 185 CB SER A 15 8.750 6.444 2.188 1.00 0.00 C ATOM 186 OG SER A 15 9.645 5.471 2.713 1.00 0.00 O ATOM 0 H SER A 15 6.954 7.689 1.024 1.00 0.00 H new ATOM 0 HA SER A 15 8.426 5.425 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.309 7.257 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.158 6.882 2.992 1.00 0.00 H new ATOM 0 HG SER A 15 10.236 5.892 3.372 1.00 0.00 H new ATOM 192 N GLU A 16 6.107 4.901 2.618 1.00 0.00 N ATOM 193 CA GLU A 16 5.350 3.854 3.298 1.00 0.00 C ATOM 194 C GLU A 16 4.560 3.031 2.285 1.00 0.00 C ATOM 195 O GLU A 16 4.567 1.801 2.320 1.00 0.00 O ATOM 196 CB GLU A 16 4.379 4.465 4.310 1.00 0.00 C ATOM 197 CG GLU A 16 3.807 3.361 5.201 1.00 0.00 C ATOM 198 CD GLU A 16 3.241 3.978 6.476 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.027 4.414 7.300 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.028 4.004 6.610 1.00 0.00 O ATOM 0 H GLU A 16 5.791 5.851 2.812 1.00 0.00 H new ATOM 0 HA GLU A 16 6.057 3.210 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.893 5.209 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.572 4.981 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.026 2.818 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.585 2.639 5.448 1.00 0.00 H new ATOM 207 N GLU A 17 3.881 3.729 1.378 1.00 0.00 N ATOM 208 CA GLU A 17 3.088 3.060 0.351 1.00 0.00 C ATOM 209 C GLU A 17 3.986 2.213 -0.545 1.00 0.00 C ATOM 210 O GLU A 17 3.579 1.164 -1.044 1.00 0.00 O ATOM 211 CB GLU A 17 2.350 4.086 -0.510 1.00 0.00 C ATOM 212 CG GLU A 17 1.238 3.387 -1.296 1.00 0.00 C ATOM 213 CD GLU A 17 0.958 4.163 -2.579 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.953 5.382 -2.522 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.753 3.527 -3.599 1.00 0.00 O ATOM 0 H GLU A 17 3.864 4.748 1.333 1.00 0.00 H new ATOM 0 HA GLU A 17 2.362 2.418 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.928 4.869 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.046 4.569 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.533 2.365 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.334 3.325 -0.691 1.00 0.00 H new ATOM 222 N ASP A 18 5.216 2.681 -0.743 1.00 0.00 N ATOM 223 CA ASP A 18 6.170 1.960 -1.582 1.00 0.00 C ATOM 224 C ASP A 18 6.457 0.581 -0.996 1.00 0.00 C ATOM 225 O ASP A 18 6.563 -0.408 -1.720 1.00 0.00 O ATOM 226 CB ASP A 18 7.483 2.737 -1.692 1.00 0.00 C ATOM 227 CG ASP A 18 8.272 2.239 -2.898 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.908 2.593 -4.007 1.00 0.00 O ATOM 229 OD2 ASP A 18 9.228 1.508 -2.695 1.00 0.00 O ATOM 0 H ASP A 18 5.573 3.547 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 18 5.730 1.851 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.279 3.803 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.070 2.609 -0.783 1.00 0.00 H new ATOM 234 N LEU A 19 6.576 0.527 0.328 1.00 0.00 N ATOM 235 CA LEU A 19 6.846 -0.737 1.007 1.00 0.00 C ATOM 236 C LEU A 19 5.698 -1.715 0.775 1.00 0.00 C ATOM 237 O LEU A 19 5.910 -2.859 0.369 1.00 0.00 O ATOM 238 CB LEU A 19 7.014 -0.513 2.512 1.00 0.00 C ATOM 239 CG LEU A 19 7.999 -1.538 3.074 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.396 -1.140 4.496 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.340 -2.918 3.099 1.00 0.00 C ATOM 0 H LEU A 19 6.491 1.334 0.946 1.00 0.00 H new ATOM 0 HA LEU A 19 7.768 -1.151 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.377 0.497 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.051 -0.605 3.014 1.00 0.00 H new ATOM 0 HG LEU A 19 8.888 -1.569 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.098 -1.871 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.866 -0.157 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.507 -1.108 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.042 -3.649 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.451 -2.885 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.057 -3.204 2.086 1.00 0.00 H new ATOM 253 N LEU A 20 4.481 -1.249 1.034 1.00 0.00 N ATOM 254 CA LEU A 20 3.300 -2.087 0.846 1.00 0.00 C ATOM 255 C LEU A 20 3.144 -2.458 -0.625 1.00 0.00 C ATOM 256 O LEU A 20 2.665 -3.540 -0.960 1.00 0.00 O ATOM 257 CB LEU A 20 2.042 -1.354 1.313 1.00 0.00 C ATOM 258 CG LEU A 20 1.790 -1.663 2.790 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.786 -0.658 3.358 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.222 -3.079 2.923 1.00 0.00 C ATOM 0 H LEU A 20 4.286 -0.306 1.371 1.00 0.00 H new ATOM 0 HA LEU A 20 3.430 -2.992 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.160 -0.280 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.185 -1.663 0.715 1.00 0.00 H new ATOM 0 HG LEU A 20 2.727 -1.592 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.606 -0.878 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.187 0.351 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.152 -0.730 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.042 -3.301 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.284 -3.148 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.935 -3.797 2.518 1.00 0.00 H new ATOM 272 N ARG A 21 3.557 -1.544 -1.501 1.00 0.00 N ATOM 273 CA ARG A 21 3.462 -1.781 -2.939 1.00 0.00 C ATOM 274 C ARG A 21 4.306 -2.988 -3.335 1.00 0.00 C ATOM 275 O ARG A 21 3.942 -3.752 -4.229 1.00 0.00 O ATOM 276 CB ARG A 21 3.948 -0.556 -3.717 1.00 0.00 C ATOM 277 CG ARG A 21 2.812 0.463 -3.829 1.00 0.00 C ATOM 278 CD ARG A 21 3.378 1.814 -4.268 1.00 0.00 C ATOM 279 NE ARG A 21 4.159 1.674 -5.501 1.00 0.00 N ATOM 280 CZ ARG A 21 4.650 2.734 -6.159 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.452 3.955 -5.724 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.337 2.546 -7.252 1.00 0.00 N ATOM 0 H ARG A 21 3.957 -0.642 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 21 2.417 -1.972 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.804 -0.108 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.283 -0.853 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.069 0.117 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.304 0.564 -2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.563 2.521 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.007 2.224 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 21 4.335 0.740 -5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.916 4.112 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.834 4.748 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.496 1.600 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.715 3.345 -7.761 1.00 0.00 H new ATOM 296 N LYS A 22 5.437 -3.150 -2.654 1.00 0.00 N ATOM 297 CA LYS A 22 6.328 -4.272 -2.937 1.00 0.00 C ATOM 298 C LYS A 22 5.680 -5.584 -2.514 1.00 0.00 C ATOM 299 O LYS A 22 5.725 -6.578 -3.239 1.00 0.00 O ATOM 300 CB LYS A 22 7.654 -4.106 -2.188 1.00 0.00 C ATOM 301 CG LYS A 22 8.707 -5.029 -2.804 1.00 0.00 C ATOM 302 CD LYS A 22 10.090 -4.388 -2.667 1.00 0.00 C ATOM 303 CE LYS A 22 11.069 -5.074 -3.621 1.00 0.00 C ATOM 304 NZ LYS A 22 12.422 -5.110 -3.003 1.00 0.00 N ATOM 0 H LYS A 22 5.756 -2.528 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 22 6.518 -4.289 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.987 -3.070 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.520 -4.343 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.693 -5.998 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.480 -5.207 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.033 -3.323 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.444 -4.478 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.731 -6.087 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.105 -4.538 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.088 -5.576 -3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.744 -4.139 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.381 -5.640 -2.109 1.00 0.00 H new ATOM 318 N ARG A 23 5.068 -5.573 -1.332 1.00 0.00 N ATOM 319 CA ARG A 23 4.406 -6.769 -0.818 1.00 0.00 C ATOM 320 C ARG A 23 3.197 -7.115 -1.682 1.00 0.00 C ATOM 321 O ARG A 23 2.972 -8.276 -2.025 1.00 0.00 O ATOM 322 CB ARG A 23 3.943 -6.547 0.624 1.00 0.00 C ATOM 323 CG ARG A 23 4.022 -7.866 1.395 1.00 0.00 C ATOM 324 CD ARG A 23 2.707 -8.631 1.235 1.00 0.00 C ATOM 325 NE ARG A 23 2.775 -9.925 1.920 1.00 0.00 N ATOM 326 CZ ARG A 23 3.515 -10.941 1.453 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.217 -10.821 0.352 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.537 -12.069 2.107 1.00 0.00 N ATOM 0 H ARG A 23 5.017 -4.760 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 23 5.121 -7.591 -0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.567 -5.794 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.921 -6.168 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.852 -8.467 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.216 -7.672 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.885 -8.041 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.496 -8.785 0.177 1.00 0.00 H new ATOM 0 HE ARG A 23 2.242 -10.057 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.207 -9.943 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.773 -11.606 0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.995 -12.172 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.096 -12.848 1.761 1.00 0.00 H new ATOM 342 N ARG A 24 2.421 -6.092 -2.028 1.00 0.00 N ATOM 343 CA ARG A 24 1.232 -6.290 -2.853 1.00 0.00 C ATOM 344 C ARG A 24 1.614 -6.879 -4.209 1.00 0.00 C ATOM 345 O ARG A 24 0.883 -7.687 -4.780 1.00 0.00 O ATOM 346 CB ARG A 24 0.506 -4.954 -3.071 1.00 0.00 C ATOM 347 CG ARG A 24 -1.015 -5.160 -2.987 1.00 0.00 C ATOM 348 CD ARG A 24 -1.681 -4.727 -4.297 1.00 0.00 C ATOM 349 NE ARG A 24 -1.264 -3.373 -4.674 1.00 0.00 N ATOM 350 CZ ARG A 24 -1.956 -2.633 -5.552 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.043 -3.093 -6.123 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.539 -1.432 -5.846 1.00 0.00 N ATOM 0 H ARG A 24 2.591 -5.125 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 24 0.571 -6.983 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.825 -4.231 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.772 -4.541 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.237 -6.208 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.422 -4.584 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.420 -5.427 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.765 -4.760 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.420 -2.981 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.377 -4.031 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.554 -2.513 -6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.694 -1.064 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.058 -0.861 -6.513 1.00 0.00 H new ATOM 366 N GLU A 25 2.770 -6.459 -4.718 1.00 0.00 N ATOM 367 CA GLU A 25 3.245 -6.945 -6.010 1.00 0.00 C ATOM 368 C GLU A 25 3.458 -8.456 -5.970 1.00 0.00 C ATOM 369 O GLU A 25 3.053 -9.179 -6.878 1.00 0.00 O ATOM 370 CB GLU A 25 4.563 -6.267 -6.387 1.00 0.00 C ATOM 371 CG GLU A 25 4.271 -4.976 -7.154 1.00 0.00 C ATOM 372 CD GLU A 25 5.529 -4.525 -7.889 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.512 -4.245 -7.224 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.490 -4.467 -9.107 1.00 0.00 O ATOM 0 H GLU A 25 3.389 -5.790 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 25 2.487 -6.705 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.141 -6.047 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.167 -6.937 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.460 -5.138 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.941 -4.198 -6.465 1.00 0.00 H new ATOM 381 N GLN A 26 4.104 -8.922 -4.903 1.00 0.00 N ATOM 382 CA GLN A 26 4.372 -10.352 -4.751 1.00 0.00 C ATOM 383 C GLN A 26 3.065 -11.138 -4.698 1.00 0.00 C ATOM 384 O GLN A 26 2.931 -12.189 -5.324 1.00 0.00 O ATOM 385 CB GLN A 26 5.163 -10.614 -3.468 1.00 0.00 C ATOM 386 CG GLN A 26 6.568 -10.020 -3.605 1.00 0.00 C ATOM 387 CD GLN A 26 7.116 -9.688 -2.222 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.083 -8.533 -1.795 1.00 0.00 O ATOM 389 NE2 GLN A 26 7.623 -10.640 -1.488 1.00 0.00 N ATOM 0 H GLN A 26 4.448 -8.340 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 26 4.956 -10.678 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.650 -10.170 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.226 -11.686 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.226 -10.728 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.536 -9.121 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.651 -11.597 -1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.992 -10.428 -0.561 1.00 0.00 H new ATOM 398 N LEU A 27 2.105 -10.617 -3.941 1.00 0.00 N ATOM 399 CA LEU A 27 0.809 -11.277 -3.810 1.00 0.00 C ATOM 400 C LEU A 27 0.058 -11.251 -5.138 1.00 0.00 C ATOM 401 O LEU A 27 -0.698 -12.168 -5.458 1.00 0.00 O ATOM 402 CB LEU A 27 -0.041 -10.582 -2.744 1.00 0.00 C ATOM 403 CG LEU A 27 0.719 -10.563 -1.418 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.000 -9.645 -0.428 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.778 -11.980 -0.844 1.00 0.00 C ATOM 0 H LEU A 27 2.197 -9.749 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 27 0.988 -12.311 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.274 -9.564 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.990 -11.104 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 27 1.731 -10.194 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.543 -9.633 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.044 -8.635 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.012 -10.013 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.320 -11.967 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.235 -12.347 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.291 -12.636 -1.547 1.00 0.00 H new ATOM 417 N LYS A 28 0.275 -10.187 -5.907 1.00 0.00 N ATOM 418 CA LYS A 28 -0.387 -10.046 -7.202 1.00 0.00 C ATOM 419 C LYS A 28 0.337 -10.869 -8.264 1.00 0.00 C ATOM 420 O LYS A 28 -0.280 -11.384 -9.196 1.00 0.00 O ATOM 421 CB LYS A 28 -0.407 -8.579 -7.635 1.00 0.00 C ATOM 422 CG LYS A 28 -1.366 -8.409 -8.815 1.00 0.00 C ATOM 423 CD LYS A 28 -1.925 -6.985 -8.815 1.00 0.00 C ATOM 424 CE LYS A 28 -3.005 -6.859 -7.738 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.983 -5.806 -8.136 1.00 0.00 N ATOM 0 H LYS A 28 0.897 -9.417 -5.660 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.410 -10.408 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.721 -7.948 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.596 -8.259 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.846 -8.607 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.180 -9.131 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.125 -6.269 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.343 -6.747 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.515 -7.813 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.551 -6.605 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.717 -5.720 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.490 -4.896 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.425 -6.067 -9.041 1.00 0.00 H new ATOM 439 N HIS A 29 1.653 -10.982 -8.113 1.00 0.00 N ATOM 440 CA HIS A 29 2.457 -11.743 -9.067 1.00 0.00 C ATOM 441 C HIS A 29 2.026 -13.207 -9.083 1.00 0.00 C ATOM 442 O HIS A 29 2.101 -13.877 -10.113 1.00 0.00 O ATOM 443 CB HIS A 29 3.940 -11.666 -8.700 1.00 0.00 C ATOM 444 CG HIS A 29 4.473 -10.301 -9.044 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.123 -9.645 -10.215 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.331 -9.459 -8.383 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.763 -8.461 -10.221 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.513 -8.297 -9.129 1.00 0.00 N ATOM 0 H HIS A 29 2.182 -10.562 -7.349 1.00 0.00 H new ATOM 0 HA HIS A 29 2.304 -11.308 -10.055 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.073 -11.862 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.499 -12.432 -9.238 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.795 -9.666 -7.430 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.680 -7.732 -11.013 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.095 -7.493 -8.892 1.00 0.00 H new ATOM 647 N LYS B 9 -3.888 13.798 -4.058 1.00 0.00 N ATOM 648 CA LYS B 9 -2.760 12.870 -4.070 1.00 0.00 C ATOM 649 C LYS B 9 -2.570 12.247 -2.691 1.00 0.00 C ATOM 650 O LYS B 9 -2.299 11.052 -2.566 1.00 0.00 O ATOM 651 CB LYS B 9 -1.473 13.597 -4.472 1.00 0.00 C ATOM 652 CG LYS B 9 -1.302 13.528 -5.992 1.00 0.00 C ATOM 653 CD LYS B 9 -0.431 12.324 -6.353 1.00 0.00 C ATOM 654 CE LYS B 9 -0.770 11.855 -7.769 1.00 0.00 C ATOM 655 NZ LYS B 9 0.068 10.671 -8.115 1.00 0.00 N ATOM 0 HA LYS B 9 -2.975 12.086 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.513 14.637 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.615 13.141 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.276 13.444 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.843 14.446 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.623 12.593 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.597 11.515 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.827 11.597 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.593 12.660 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.162 10.352 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.074 10.932 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.122 9.902 -7.441 1.00 0.00 H new ATOM 669 N ASN B 10 -2.715 13.070 -1.657 1.00 0.00 N ATOM 670 CA ASN B 10 -2.558 12.591 -0.287 1.00 0.00 C ATOM 671 C ASN B 10 -3.746 11.721 0.112 1.00 0.00 C ATOM 672 O ASN B 10 -3.598 10.741 0.841 1.00 0.00 O ATOM 673 CB ASN B 10 -2.451 13.769 0.684 1.00 0.00 C ATOM 674 CG ASN B 10 -0.987 14.155 0.859 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.273 13.556 1.663 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.492 15.128 0.146 1.00 0.00 N ATOM 0 H ASN B 10 -2.939 14.062 -1.739 1.00 0.00 H new ATOM 0 HA ASN B 10 -1.643 12.000 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.019 14.619 0.305 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.884 13.500 1.647 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.487 15.393 0.254 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.084 15.624 -0.520 1.00 0.00 H new ATOM 683 N ASP B 11 -4.926 12.093 -0.376 1.00 0.00 N ATOM 684 CA ASP B 11 -6.139 11.340 -0.065 1.00 0.00 C ATOM 685 C ASP B 11 -6.029 9.915 -0.601 1.00 0.00 C ATOM 686 O ASP B 11 -6.491 8.962 0.026 1.00 0.00 O ATOM 687 CB ASP B 11 -7.363 12.015 -0.689 1.00 0.00 C ATOM 688 CG ASP B 11 -8.633 11.376 -0.136 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.646 11.054 1.041 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.572 11.218 -0.898 1.00 0.00 O ATOM 0 H ASP B 11 -5.069 12.901 -0.981 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.253 11.315 1.019 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.355 13.083 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.334 11.913 -1.774 1.00 0.00 H new ATOM 695 N THR B 12 -5.408 9.784 -1.770 1.00 0.00 N ATOM 696 CA THR B 12 -5.237 8.471 -2.388 1.00 0.00 C ATOM 697 C THR B 12 -4.174 7.665 -1.646 1.00 0.00 C ATOM 698 O THR B 12 -4.232 6.436 -1.596 1.00 0.00 O ATOM 699 CB THR B 12 -4.819 8.619 -3.852 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.580 9.656 -4.459 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.066 7.304 -4.592 1.00 0.00 C ATOM 0 H THR B 12 -5.019 10.561 -2.304 1.00 0.00 H new ATOM 0 HA THR B 12 -6.192 7.948 -2.334 1.00 0.00 H new ATOM 0 HB THR B 12 -3.759 8.868 -3.903 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.312 9.753 -5.397 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.768 7.412 -5.635 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.482 6.510 -4.127 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.125 7.052 -4.542 1.00 0.00 H new ATOM 709 N HIS B 13 -3.202 8.370 -1.071 1.00 0.00 N ATOM 710 CA HIS B 13 -2.126 7.712 -0.333 1.00 0.00 C ATOM 711 C HIS B 13 -2.690 6.899 0.829 1.00 0.00 C ATOM 712 O HIS B 13 -2.328 5.739 1.031 1.00 0.00 O ATOM 713 CB HIS B 13 -1.144 8.749 0.218 1.00 0.00 C ATOM 714 CG HIS B 13 -0.055 9.002 -0.789 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.895 8.045 -1.108 1.00 0.00 N ATOM 716 CD2 HIS B 13 0.248 10.102 -1.551 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.718 8.584 -2.028 1.00 0.00 C ATOM 718 NE2 HIS B 13 1.369 9.836 -2.333 1.00 0.00 N ATOM 0 H HIS B 13 -3.137 9.387 -1.101 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.607 7.046 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.669 9.678 0.442 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.712 8.394 1.154 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.300 11.033 -1.545 1.00 0.00 H new ATOM 0 HE1 HIS B 13 2.558 8.066 -2.466 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.825 10.463 -2.996 1.00 0.00 H new ATOM 726 N GLN B 14 -3.579 7.526 1.591 1.00 0.00 N ATOM 727 CA GLN B 14 -4.192 6.861 2.737 1.00 0.00 C ATOM 728 C GLN B 14 -5.066 5.699 2.276 1.00 0.00 C ATOM 729 O GLN B 14 -4.970 4.586 2.796 1.00 0.00 O ATOM 730 CB GLN B 14 -5.052 7.847 3.532 1.00 0.00 C ATOM 731 CG GLN B 14 -4.164 8.957 4.099 1.00 0.00 C ATOM 732 CD GLN B 14 -4.707 9.403 5.452 1.00 0.00 C ATOM 733 OE1 GLN B 14 -5.858 9.822 5.561 1.00 0.00 O ATOM 734 NE2 GLN B 14 -3.936 9.336 6.504 1.00 0.00 N ATOM 0 H GLN B 14 -3.890 8.485 1.439 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.392 6.483 3.373 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.822 8.275 2.890 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -5.565 7.328 4.342 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.140 8.599 4.207 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.135 9.802 3.411 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -2.981 8.989 6.415 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.289 9.631 7.414 1.00 0.00 H new ATOM 743 N GLN B 15 -5.921 5.969 1.293 1.00 0.00 N ATOM 744 CA GLN B 15 -6.812 4.937 0.767 1.00 0.00 C ATOM 745 C GLN B 15 -6.004 3.792 0.166 1.00 0.00 C ATOM 746 O GLN B 15 -6.296 2.619 0.397 1.00 0.00 O ATOM 747 CB GLN B 15 -7.730 5.519 -0.309 1.00 0.00 C ATOM 748 CG GLN B 15 -8.747 6.460 0.339 1.00 0.00 C ATOM 749 CD GLN B 15 -9.168 7.526 -0.667 1.00 0.00 C ATOM 750 OE1 GLN B 15 -9.260 8.706 -0.328 1.00 0.00 O ATOM 751 NE2 GLN B 15 -9.431 7.178 -1.897 1.00 0.00 N ATOM 0 H GLN B 15 -6.016 6.882 0.849 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.416 4.561 1.593 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.141 6.059 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.246 4.716 -0.835 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.618 5.896 0.673 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.313 6.929 1.222 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.355 6.200 -2.178 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -9.713 7.884 -2.578 1.00 0.00 H new ATOM 760 N ASP B 16 -4.980 4.146 -0.607 1.00 0.00 N ATOM 761 CA ASP B 16 -4.129 3.139 -1.237 1.00 0.00 C ATOM 762 C ASP B 16 -3.448 2.279 -0.175 1.00 0.00 C ATOM 763 O ASP B 16 -3.310 1.068 -0.328 1.00 0.00 O ATOM 764 CB ASP B 16 -3.056 3.805 -2.101 1.00 0.00 C ATOM 765 CG ASP B 16 -2.448 2.774 -3.045 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.118 2.405 -3.996 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.324 2.369 -2.804 1.00 0.00 O ATOM 0 H ASP B 16 -4.721 5.111 -0.811 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.761 2.511 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.492 4.624 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.280 4.236 -1.468 1.00 0.00 H new ATOM 772 N ILE B 17 -3.030 2.928 0.909 1.00 0.00 N ATOM 773 CA ILE B 17 -2.369 2.223 2.002 1.00 0.00 C ATOM 774 C ILE B 17 -3.322 1.195 2.615 1.00 0.00 C ATOM 775 O ILE B 17 -3.183 -0.009 2.409 1.00 0.00 O ATOM 776 CB ILE B 17 -1.910 3.235 3.082 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.595 3.881 2.636 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.695 2.550 4.448 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.377 5.183 3.407 1.00 0.00 C ATOM 0 H ILE B 17 -3.136 3.932 1.053 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.495 1.702 1.611 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.691 3.987 3.197 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.236 3.198 2.813 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.621 4.081 1.565 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.374 3.291 5.180 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.629 2.095 4.778 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -0.930 1.779 4.352 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.559 5.642 3.089 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.202 5.866 3.208 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.332 4.970 4.475 1.00 0.00 H new ATOM 791 N ASP B 18 -4.271 1.700 3.402 1.00 0.00 N ATOM 792 CA ASP B 18 -5.237 0.846 4.091 1.00 0.00 C ATOM 793 C ASP B 18 -5.818 -0.224 3.158 1.00 0.00 C ATOM 794 O ASP B 18 -6.132 -1.335 3.587 1.00 0.00 O ATOM 795 CB ASP B 18 -6.382 1.695 4.657 1.00 0.00 C ATOM 796 CG ASP B 18 -6.123 1.996 6.130 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.056 2.504 6.432 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.997 1.714 6.933 1.00 0.00 O ATOM 0 H ASP B 18 -4.391 2.697 3.578 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.707 0.344 4.901 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.469 2.626 4.096 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.329 1.166 4.545 1.00 0.00 H new ATOM 803 N ASP B 19 -5.949 0.124 1.881 1.00 0.00 N ATOM 804 CA ASP B 19 -6.487 -0.817 0.899 1.00 0.00 C ATOM 805 C ASP B 19 -5.488 -1.939 0.641 1.00 0.00 C ATOM 806 O ASP B 19 -5.863 -3.098 0.468 1.00 0.00 O ATOM 807 CB ASP B 19 -6.789 -0.102 -0.419 1.00 0.00 C ATOM 808 CG ASP B 19 -7.537 -1.047 -1.353 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.593 -1.518 -0.966 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.042 -1.287 -2.443 1.00 0.00 O ATOM 0 H ASP B 19 -5.695 1.037 1.504 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.410 -1.236 1.301 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.387 0.790 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.861 0.229 -0.886 1.00 0.00 H new ATOM 815 N LEU B 20 -4.208 -1.579 0.621 1.00 0.00 N ATOM 816 CA LEU B 20 -3.152 -2.560 0.387 1.00 0.00 C ATOM 817 C LEU B 20 -3.148 -3.611 1.492 1.00 0.00 C ATOM 818 O LEU B 20 -3.324 -4.803 1.239 1.00 0.00 O ATOM 819 CB LEU B 20 -1.784 -1.874 0.351 1.00 0.00 C ATOM 820 CG LEU B 20 -1.611 -1.145 -0.981 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.671 0.047 -0.795 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.015 -2.106 -2.011 1.00 0.00 C ATOM 0 H LEU B 20 -3.878 -0.624 0.763 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.345 -3.040 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.698 -1.168 1.177 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -0.992 -2.612 0.479 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.581 -0.790 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.549 0.566 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.093 0.732 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.300 -0.306 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -0.891 -1.588 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.045 -2.459 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.684 -2.956 -2.145 1.00 0.00 H new ATOM 834 N LYS B 21 -2.942 -3.152 2.726 1.00 0.00 N ATOM 835 CA LYS B 21 -2.910 -4.052 3.879 1.00 0.00 C ATOM 836 C LYS B 21 -4.212 -4.846 3.988 1.00 0.00 C ATOM 837 O LYS B 21 -4.224 -5.982 4.459 1.00 0.00 O ATOM 838 CB LYS B 21 -2.704 -3.253 5.170 1.00 0.00 C ATOM 839 CG LYS B 21 -1.209 -3.163 5.486 1.00 0.00 C ATOM 840 CD LYS B 21 -0.825 -4.266 6.476 1.00 0.00 C ATOM 841 CE LYS B 21 0.269 -3.753 7.414 1.00 0.00 C ATOM 842 NZ LYS B 21 1.606 -4.113 6.862 1.00 0.00 N ATOM 0 H LYS B 21 -2.796 -2.168 2.953 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.081 -4.745 3.738 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.124 -2.253 5.061 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.232 -3.732 5.994 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -0.627 -3.264 4.570 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -0.974 -2.185 5.907 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.698 -4.572 7.052 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.474 -5.146 5.938 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.189 -2.672 7.526 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.145 -4.186 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.035 -4.857 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 1.497 -4.460 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 2.220 -3.274 6.864 1.00 0.00 H new ATOM 856 N ARG B 22 -5.305 -4.230 3.550 1.00 0.00 N ATOM 857 CA ARG B 22 -6.610 -4.885 3.607 1.00 0.00 C ATOM 858 C ARG B 22 -6.630 -6.125 2.718 1.00 0.00 C ATOM 859 O ARG B 22 -6.769 -7.250 3.199 1.00 0.00 O ATOM 860 CB ARG B 22 -7.717 -3.929 3.151 1.00 0.00 C ATOM 861 CG ARG B 22 -8.195 -3.092 4.340 1.00 0.00 C ATOM 862 CD ARG B 22 -9.052 -3.951 5.276 1.00 0.00 C ATOM 863 NE ARG B 22 -10.445 -3.992 4.816 1.00 0.00 N ATOM 864 CZ ARG B 22 -10.922 -4.971 4.031 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.160 -5.953 3.614 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.177 -4.942 3.671 1.00 0.00 N ATOM 0 H ARG B 22 -5.316 -3.289 3.156 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.787 -5.177 4.642 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.345 -3.277 2.360 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.550 -4.494 2.733 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.338 -2.693 4.882 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.773 -2.239 3.985 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.649 -4.963 5.320 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.010 -3.547 6.288 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.077 -3.245 5.105 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -9.177 -5.987 3.885 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.550 -6.683 3.018 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.781 -4.182 3.986 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.554 -5.679 3.075 1.00 0.00 H new ATOM 880 N GLN B 23 -6.495 -5.907 1.412 1.00 0.00 N ATOM 881 CA GLN B 23 -6.506 -7.017 0.463 1.00 0.00 C ATOM 882 C GLN B 23 -5.259 -7.884 0.618 1.00 0.00 C ATOM 883 O GLN B 23 -5.281 -9.078 0.318 1.00 0.00 O ATOM 884 CB GLN B 23 -6.584 -6.497 -0.977 1.00 0.00 C ATOM 885 CG GLN B 23 -5.398 -5.563 -1.268 1.00 0.00 C ATOM 886 CD GLN B 23 -4.647 -6.050 -2.505 1.00 0.00 C ATOM 887 OE1 GLN B 23 -3.447 -6.309 -2.448 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.292 -6.190 -3.631 1.00 0.00 N ATOM 0 H GLN B 23 -6.378 -4.985 0.991 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.387 -7.622 0.677 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.577 -7.334 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -7.522 -5.964 -1.129 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.755 -4.545 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.726 -5.536 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.288 -5.975 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -4.800 -6.514 -4.464 1.00 0.00 H new ATOM 897 N ASN B 24 -4.170 -7.280 1.092 1.00 0.00 N ATOM 898 CA ASN B 24 -2.928 -8.024 1.279 1.00 0.00 C ATOM 899 C ASN B 24 -3.108 -9.096 2.349 1.00 0.00 C ATOM 900 O ASN B 24 -2.505 -10.167 2.282 1.00 0.00 O ATOM 901 CB ASN B 24 -1.793 -7.084 1.695 1.00 0.00 C ATOM 902 CG ASN B 24 -1.221 -6.381 0.463 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.739 -6.529 -0.646 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.174 -5.615 0.593 1.00 0.00 N ATOM 0 H ASN B 24 -4.123 -6.294 1.349 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.673 -8.496 0.330 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.163 -6.346 2.407 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.009 -7.648 2.200 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.215 -5.140 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.256 -5.491 1.509 1.00 0.00 H new ATOM 911 N ALA B 25 -3.949 -8.795 3.335 1.00 0.00 N ATOM 912 CA ALA B 25 -4.208 -9.742 4.415 1.00 0.00 C ATOM 913 C ALA B 25 -5.097 -10.877 3.916 1.00 0.00 C ATOM 914 O ALA B 25 -4.822 -12.053 4.154 1.00 0.00 O ATOM 915 CB ALA B 25 -4.901 -9.043 5.586 1.00 0.00 C ATOM 0 H ALA B 25 -4.457 -7.914 3.409 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.252 -10.145 4.751 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.086 -9.764 6.382 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.262 -8.244 5.962 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.849 -8.622 5.249 1.00 0.00 H new ATOM 921 N LEU B 26 -6.168 -10.508 3.218 1.00 0.00 N ATOM 922 CA LEU B 26 -7.094 -11.503 2.682 1.00 0.00 C ATOM 923 C LEU B 26 -6.432 -12.290 1.556 1.00 0.00 C ATOM 924 O LEU B 26 -6.689 -13.481 1.378 1.00 0.00 O ATOM 925 CB LEU B 26 -8.355 -10.825 2.141 1.00 0.00 C ATOM 926 CG LEU B 26 -9.392 -10.710 3.259 1.00 0.00 C ATOM 927 CD1 LEU B 26 -8.941 -9.654 4.269 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.740 -10.299 2.661 1.00 0.00 C ATOM 0 H LEU B 26 -6.415 -9.540 3.012 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.366 -12.181 3.491 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.111 -9.836 1.754 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.763 -11.401 1.310 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.493 -11.672 3.761 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.681 -9.573 5.065 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -7.980 -9.944 4.694 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.840 -8.691 3.768 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.481 -10.216 3.456 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.637 -9.337 2.159 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -11.063 -11.051 1.941 1.00 0.00 H new ATOM 940 N LEU B 27 -5.573 -11.611 0.801 1.00 0.00 N ATOM 941 CA LEU B 27 -4.873 -12.257 -0.306 1.00 0.00 C ATOM 942 C LEU B 27 -3.981 -13.379 0.215 1.00 0.00 C ATOM 943 O LEU B 27 -3.974 -14.486 -0.321 1.00 0.00 O ATOM 944 CB LEU B 27 -4.011 -11.243 -1.061 1.00 0.00 C ATOM 945 CG LEU B 27 -4.886 -10.445 -2.027 1.00 0.00 C ATOM 946 CD1 LEU B 27 -4.206 -9.113 -2.352 1.00 0.00 C ATOM 947 CD2 LEU B 27 -5.079 -11.244 -3.318 1.00 0.00 C ATOM 0 H LEU B 27 -5.346 -10.625 0.932 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.621 -12.670 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.522 -10.570 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.222 -11.758 -1.610 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.855 -10.256 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.830 -8.544 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.066 -8.542 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.237 -9.302 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.703 -10.676 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.109 -11.433 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.563 -12.194 -3.089 1.00 0.00 H new ATOM 959 N GLU B 28 -3.229 -13.078 1.272 1.00 0.00 N ATOM 960 CA GLU B 28 -2.330 -14.065 1.871 1.00 0.00 C ATOM 961 C GLU B 28 -3.109 -15.307 2.306 1.00 0.00 C ATOM 962 O GLU B 28 -2.684 -16.437 2.071 1.00 0.00 O ATOM 963 CB GLU B 28 -1.620 -13.464 3.089 1.00 0.00 C ATOM 964 CG GLU B 28 -0.580 -14.453 3.621 1.00 0.00 C ATOM 965 CD GLU B 28 0.633 -13.688 4.142 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.450 -13.289 3.329 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.726 -13.514 5.346 1.00 0.00 O ATOM 0 H GLU B 28 -3.223 -12.166 1.729 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.591 -14.350 1.122 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.137 -12.526 2.814 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.347 -13.232 3.868 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.012 -15.057 4.419 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.278 -15.139 2.830 1.00 0.00 H new ATOM 974 N GLN B 29 -4.256 -15.079 2.944 1.00 0.00 N ATOM 975 CA GLN B 29 -5.096 -16.183 3.412 1.00 0.00 C ATOM 976 C GLN B 29 -5.467 -17.108 2.253 1.00 0.00 C ATOM 977 O GLN B 29 -5.540 -18.326 2.411 1.00 0.00 O ATOM 978 CB GLN B 29 -6.379 -15.646 4.047 1.00 0.00 C ATOM 979 CG GLN B 29 -6.140 -15.375 5.533 1.00 0.00 C ATOM 980 CD GLN B 29 -7.312 -14.584 6.102 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.629 -13.497 5.621 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.985 -15.072 7.109 1.00 0.00 N ATOM 0 H GLN B 29 -4.623 -14.150 3.148 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.527 -16.743 4.154 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.690 -14.730 3.545 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.187 -16.367 3.924 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.027 -16.316 6.071 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.213 -14.818 5.667 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.723 -15.973 7.509 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.773 -14.552 7.496 1.00 0.00 H new ATOM 991 N GLN B 30 -5.691 -16.512 1.085 1.00 0.00 N ATOM 992 CA GLN B 30 -6.046 -17.288 -0.100 1.00 0.00 C ATOM 993 C GLN B 30 -4.792 -17.875 -0.740 1.00 0.00 C ATOM 994 O GLN B 30 -4.802 -18.993 -1.254 1.00 0.00 O ATOM 995 CB GLN B 30 -6.765 -16.408 -1.123 1.00 0.00 C ATOM 996 CG GLN B 30 -8.207 -16.170 -0.671 1.00 0.00 C ATOM 997 CD GLN B 30 -9.119 -17.217 -1.302 1.00 0.00 C ATOM 998 OE1 GLN B 30 -9.716 -16.978 -2.352 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.262 -18.376 -0.719 1.00 0.00 N ATOM 0 H GLN B 30 -5.634 -15.505 0.934 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.711 -18.095 0.210 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.244 -15.456 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.754 -16.888 -2.102 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -8.272 -16.224 0.416 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -8.529 -15.170 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.767 -18.574 0.151 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.868 -19.084 -1.133 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.709 -17.104 -0.697 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.440 -17.548 -1.270 1.00 0.00 C ATOM 1010 C VAL B 31 -1.857 -18.694 -0.441 1.00 0.00 C ATOM 1011 O VAL B 31 -1.182 -19.578 -0.967 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.441 -16.384 -1.312 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.133 -16.836 -1.970 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -2.041 -15.225 -2.121 1.00 0.00 C ATOM 0 H VAL B 31 -3.683 -16.176 -0.275 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.623 -17.899 -2.286 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.235 -16.056 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.569 -16.002 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.298 -17.657 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.334 -17.171 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.332 -14.397 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -2.251 -15.561 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.966 -14.893 -1.650 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.124 -18.664 0.862 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.620 -19.703 1.757 1.00 0.00 C ATOM 1026 C ARG B 32 -2.157 -21.073 1.351 1.00 0.00 C ATOM 1027 O ARG B 32 -1.480 -22.089 1.496 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.039 -19.414 3.201 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.321 -20.379 4.146 1.00 0.00 C ATOM 1030 CD ARG B 32 0.054 -19.813 4.504 1.00 0.00 C ATOM 1031 NE ARG B 32 0.604 -20.498 5.678 1.00 0.00 N ATOM 1032 CZ ARG B 32 1.906 -20.437 5.995 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.753 -19.755 5.261 1.00 0.00 N ATOM 1034 NH2 ARG B 32 2.338 -21.067 7.053 1.00 0.00 N ATOM 0 H ARG B 32 -2.680 -17.941 1.318 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.532 -19.706 1.685 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.795 -18.384 3.462 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.119 -19.522 3.306 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.912 -20.527 5.050 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.213 -21.355 3.673 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.732 -19.928 3.658 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -0.027 -18.745 4.704 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.024 -21.038 6.273 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.425 -19.259 4.432 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.739 -19.721 5.519 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.687 -21.600 7.630 1.00 0.00 H new ATOM 0 HH22 ARG B 32 3.326 -21.027 7.302 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.386 -21.088 0.842 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.010 -22.340 0.418 1.00 0.00 C ATOM 1050 C ALA B 33 -3.911 -22.505 -1.094 1.00 0.00 C ATOM 1051 O ALA B 33 -3.173 -23.355 -1.594 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.483 -22.369 0.827 1.00 0.00 C ATOM 0 H ALA B 33 -3.965 -20.258 0.714 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.481 -23.159 0.906 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.932 -23.308 0.503 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.561 -22.284 1.911 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.007 -21.536 0.359 1.00 0.00 H new ATOM 1058 N LEU B 34 -4.665 -21.682 -1.819 1.00 0.00 N ATOM 1059 CA LEU B 34 -4.662 -21.741 -3.280 1.00 0.00 C ATOM 1060 C LEU B 34 -5.136 -23.109 -3.759 1.00 0.00 C ATOM 1061 O LEU B 34 -4.375 -24.077 -3.759 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.259 -21.479 -3.830 1.00 0.00 C ATOM 1063 CG LEU B 34 -2.809 -20.075 -3.435 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -1.305 -19.930 -3.687 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.567 -19.044 -4.275 1.00 0.00 C ATOM 0 H LEU B 34 -5.281 -20.972 -1.424 1.00 0.00 H new ATOM 0 HA LEU B 34 -5.341 -20.971 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.560 -22.219 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -3.258 -21.580 -4.915 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.018 -19.910 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.984 -18.927 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.764 -20.665 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.096 -20.094 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.247 -18.040 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.357 -19.210 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.638 -19.146 -4.098 1.00 0.00 H new