USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN : amide:sc= -0.831 X(o=-1.8,f=-2) USER MOD Set 1.2: A 11 GLN : amide:sc= -0.952 K(o=-1.8,f=-4.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.00061) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.289) USER MOD Single : A 29 HIS : no HE2:sc= -3.51 K(o=-3.5,f=-6.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0708 X(o=-0.071,f=-0.079) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.442 K(o=-0.44,f=-3.7!) USER MOD Single : B 12 THR OG1 : rot 23:sc= 0.575 USER MOD Single : B 13 HIS : no HD1:sc= -4.41 K(o=-4.4,f=-3.7) USER MOD Single : B 14 GLN : amide:sc= -0.0774 K(o=-0.077,f=-1.8!) USER MOD Single : B 15 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.61) USER MOD Single : B 24 ASN : amide:sc= -4 K(o=-4,f=-9.9!) USER MOD Single : B 29 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.2) USER MOD Single : B 30 GLN : amide:sc= -0.0165 K(o=-0.017,f=-0.52) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 2.434 26.933 3.081 1.00 0.00 C HETATM 2 O ACE A 2 1.326 27.380 3.374 1.00 0.00 O HETATM 3 CH3 ACE A 2 3.586 27.862 2.713 1.00 0.00 C HETATM 0 H1 ACE A 2 4.409 27.716 3.413 1.00 0.00 H new HETATM 0 H2 ACE A 2 3.925 27.638 1.702 1.00 0.00 H new HETATM 0 H3 ACE A 2 3.248 28.897 2.761 1.00 0.00 H new ATOM 7 N CYS A 3 2.711 25.632 3.063 1.00 0.00 N ATOM 8 CA CYS A 3 1.690 24.642 3.398 1.00 0.00 C ATOM 9 C CYS A 3 1.766 24.277 4.876 1.00 0.00 C ATOM 10 O CYS A 3 0.816 24.478 5.632 1.00 0.00 O ATOM 11 CB CYS A 3 1.879 23.375 2.561 1.00 0.00 C ATOM 12 SG CYS A 3 1.618 23.763 0.812 1.00 0.00 S ATOM 0 H CYS A 3 3.622 25.241 2.823 1.00 0.00 H new ATOM 0 HA CYS A 3 0.715 25.078 3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.882 22.974 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.177 22.606 2.883 1.00 0.00 H new ATOM 17 N GLY A 4 2.913 23.737 5.280 1.00 0.00 N ATOM 18 CA GLY A 4 3.110 23.344 6.673 1.00 0.00 C ATOM 19 C GLY A 4 3.918 22.055 6.761 1.00 0.00 C ATOM 20 O GLY A 4 5.147 22.069 6.694 1.00 0.00 O ATOM 0 H GLY A 4 3.712 23.563 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.626 24.140 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.143 23.207 7.157 1.00 0.00 H new ATOM 24 N GLY A 5 3.213 20.937 6.914 1.00 0.00 N ATOM 25 CA GLY A 5 3.873 19.638 7.011 1.00 0.00 C ATOM 26 C GLY A 5 3.266 18.648 6.025 1.00 0.00 C ATOM 27 O GLY A 5 3.191 17.449 6.292 1.00 0.00 O ATOM 0 H GLY A 5 2.195 20.903 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.939 19.751 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.778 19.252 8.026 1.00 0.00 H new ATOM 31 N VAL A 6 2.830 19.165 4.879 1.00 0.00 N ATOM 32 CA VAL A 6 2.228 18.317 3.852 1.00 0.00 C ATOM 33 C VAL A 6 3.296 17.455 3.184 1.00 0.00 C ATOM 34 O VAL A 6 3.041 16.314 2.799 1.00 0.00 O ATOM 35 CB VAL A 6 1.536 19.172 2.786 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.750 18.270 1.835 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.576 20.154 3.463 1.00 0.00 C ATOM 0 H VAL A 6 2.881 20.155 4.639 1.00 0.00 H new ATOM 0 HA VAL A 6 1.490 17.676 4.334 1.00 0.00 H new ATOM 0 HB VAL A 6 2.288 19.725 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.259 18.880 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.431 17.570 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.001 17.715 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.083 20.763 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.174 19.599 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.134 20.800 4.140 1.00 0.00 H new ATOM 47 N GLN A 7 4.493 18.016 3.051 1.00 0.00 N ATOM 48 CA GLN A 7 5.598 17.293 2.428 1.00 0.00 C ATOM 49 C GLN A 7 5.984 16.081 3.271 1.00 0.00 C ATOM 50 O GLN A 7 6.235 14.996 2.746 1.00 0.00 O ATOM 51 CB GLN A 7 6.817 18.204 2.276 1.00 0.00 C ATOM 52 CG GLN A 7 7.696 17.697 1.131 1.00 0.00 C ATOM 53 CD GLN A 7 8.641 16.621 1.655 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.270 16.792 2.699 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.780 15.510 0.984 1.00 0.00 N ATOM 0 H GLN A 7 4.723 18.960 3.362 1.00 0.00 H new ATOM 0 HA GLN A 7 5.270 16.961 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.497 19.227 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.387 18.224 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.074 17.293 0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.267 18.521 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.259 15.368 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.410 14.784 1.325 1.00 0.00 H new ATOM 64 N ALA A 8 6.028 16.283 4.584 1.00 0.00 N ATOM 65 CA ALA A 8 6.384 15.200 5.500 1.00 0.00 C ATOM 66 C ALA A 8 5.342 14.087 5.439 1.00 0.00 C ATOM 67 O ALA A 8 5.676 12.903 5.460 1.00 0.00 O ATOM 68 CB ALA A 8 6.475 15.720 6.934 1.00 0.00 C ATOM 0 H ALA A 8 5.825 17.175 5.036 1.00 0.00 H new ATOM 0 HA ALA A 8 7.354 14.807 5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.741 14.901 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.237 16.497 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.512 16.134 7.233 1.00 0.00 H new ATOM 74 N GLU A 9 4.076 14.485 5.365 1.00 0.00 N ATOM 75 CA GLU A 9 2.986 13.516 5.302 1.00 0.00 C ATOM 76 C GLU A 9 3.035 12.742 3.989 1.00 0.00 C ATOM 77 O GLU A 9 2.877 11.521 3.963 1.00 0.00 O ATOM 78 CB GLU A 9 1.633 14.222 5.413 1.00 0.00 C ATOM 79 CG GLU A 9 1.374 14.603 6.872 1.00 0.00 C ATOM 80 CD GLU A 9 -0.063 15.089 7.023 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.963 14.288 6.833 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.243 16.258 7.326 1.00 0.00 O ATOM 0 H GLU A 9 3.781 15.461 5.347 1.00 0.00 H new ATOM 0 HA GLU A 9 3.104 12.825 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.624 15.114 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.839 13.569 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.549 13.744 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.068 15.384 7.184 1.00 0.00 H new ATOM 89 N GLU A 10 3.257 13.467 2.896 1.00 0.00 N ATOM 90 CA GLU A 10 3.325 12.840 1.579 1.00 0.00 C ATOM 91 C GLU A 10 4.573 11.969 1.469 1.00 0.00 C ATOM 92 O GLU A 10 4.571 10.940 0.794 1.00 0.00 O ATOM 93 CB GLU A 10 3.358 13.904 0.480 1.00 0.00 C ATOM 94 CG GLU A 10 1.929 14.234 0.045 1.00 0.00 C ATOM 95 CD GLU A 10 1.967 15.150 -1.174 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.192 14.647 -2.262 1.00 0.00 O ATOM 97 OE2 GLU A 10 1.770 16.341 -1.001 1.00 0.00 O ATOM 0 H GLU A 10 3.392 14.478 2.895 1.00 0.00 H new ATOM 0 HA GLU A 10 2.437 12.220 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.855 14.803 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.935 13.544 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.389 13.317 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.392 14.718 0.861 1.00 0.00 H new ATOM 104 N GLN A 11 5.638 12.395 2.141 1.00 0.00 N ATOM 105 CA GLN A 11 6.893 11.648 2.113 1.00 0.00 C ATOM 106 C GLN A 11 6.697 10.253 2.700 1.00 0.00 C ATOM 107 O GLN A 11 7.338 9.291 2.279 1.00 0.00 O ATOM 108 CB GLN A 11 7.970 12.378 2.919 1.00 0.00 C ATOM 109 CG GLN A 11 9.330 11.732 2.655 1.00 0.00 C ATOM 110 CD GLN A 11 9.886 12.238 1.328 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.288 12.017 0.273 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.005 12.909 1.316 1.00 0.00 N ATOM 0 H GLN A 11 5.659 13.244 2.706 1.00 0.00 H new ATOM 0 HA GLN A 11 7.210 11.565 1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.996 13.432 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.735 12.335 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.020 11.969 3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.230 10.647 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.500 13.092 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.385 13.251 0.433 1.00 0.00 H new ATOM 121 N LYS A 12 5.799 10.157 3.677 1.00 0.00 N ATOM 122 CA LYS A 12 5.522 8.874 4.317 1.00 0.00 C ATOM 123 C LYS A 12 4.394 8.148 3.591 1.00 0.00 C ATOM 124 O LYS A 12 4.426 6.930 3.424 1.00 0.00 O ATOM 125 CB LYS A 12 5.119 9.081 5.779 1.00 0.00 C ATOM 126 CG LYS A 12 6.253 9.788 6.525 1.00 0.00 C ATOM 127 CD LYS A 12 5.871 9.949 7.999 1.00 0.00 C ATOM 128 CE LYS A 12 5.073 11.241 8.182 1.00 0.00 C ATOM 129 NZ LYS A 12 4.706 11.400 9.616 1.00 0.00 N ATOM 0 H LYS A 12 5.257 10.941 4.039 1.00 0.00 H new ATOM 0 HA LYS A 12 6.430 8.273 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.207 9.675 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.904 8.121 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.175 9.212 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.443 10.764 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.280 9.094 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.768 9.973 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.663 12.095 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.174 11.216 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.163 12.279 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.128 10.590 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.570 11.442 10.193 1.00 0.00 H new ATOM 143 N LEU A 13 3.395 8.913 3.159 1.00 0.00 N ATOM 144 CA LEU A 13 2.256 8.334 2.452 1.00 0.00 C ATOM 145 C LEU A 13 2.712 7.679 1.152 1.00 0.00 C ATOM 146 O LEU A 13 2.139 6.685 0.707 1.00 0.00 O ATOM 147 CB LEU A 13 1.222 9.415 2.128 1.00 0.00 C ATOM 148 CG LEU A 13 0.342 9.664 3.354 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.399 10.992 3.191 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.674 8.527 3.490 1.00 0.00 C ATOM 0 H LEU A 13 3.350 9.924 3.284 1.00 0.00 H new ATOM 0 HA LEU A 13 1.805 7.582 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.724 10.337 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.607 9.104 1.283 1.00 0.00 H new ATOM 0 HG LEU A 13 0.966 9.705 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.026 11.169 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.324 11.802 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.024 10.953 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.302 8.703 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.297 8.487 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.147 7.580 3.607 1.00 0.00 H new ATOM 162 N ILE A 14 3.750 8.248 0.547 1.00 0.00 N ATOM 163 CA ILE A 14 4.279 7.714 -0.706 1.00 0.00 C ATOM 164 C ILE A 14 5.254 6.572 -0.427 1.00 0.00 C ATOM 165 O ILE A 14 5.132 5.483 -0.988 1.00 0.00 O ATOM 166 CB ILE A 14 5.001 8.814 -1.493 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.036 9.977 -1.739 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.482 8.263 -2.840 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.829 11.271 -1.918 1.00 0.00 C ATOM 0 H ILE A 14 4.239 9.071 0.899 1.00 0.00 H new ATOM 0 HA ILE A 14 3.443 7.339 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 14 5.860 9.160 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.434 9.782 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.346 10.074 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.994 9.050 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.169 7.434 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.626 7.912 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.141 12.098 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.412 11.468 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.501 11.171 -2.771 1.00 0.00 H new ATOM 181 N SER A 15 6.229 6.836 0.439 1.00 0.00 N ATOM 182 CA SER A 15 7.229 5.827 0.780 1.00 0.00 C ATOM 183 C SER A 15 6.565 4.576 1.352 1.00 0.00 C ATOM 184 O SER A 15 6.969 3.452 1.055 1.00 0.00 O ATOM 185 CB SER A 15 8.218 6.379 1.807 1.00 0.00 C ATOM 186 OG SER A 15 9.223 5.406 2.061 1.00 0.00 O ATOM 0 H SER A 15 6.348 7.731 0.914 1.00 0.00 H new ATOM 0 HA SER A 15 7.761 5.565 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.671 7.298 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.698 6.631 2.731 1.00 0.00 H new ATOM 0 HG SER A 15 9.860 5.757 2.718 1.00 0.00 H new ATOM 192 N GLU A 16 5.541 4.786 2.174 1.00 0.00 N ATOM 193 CA GLU A 16 4.827 3.668 2.782 1.00 0.00 C ATOM 194 C GLU A 16 4.000 2.934 1.733 1.00 0.00 C ATOM 195 O GLU A 16 3.841 1.713 1.786 1.00 0.00 O ATOM 196 CB GLU A 16 3.899 4.164 3.893 1.00 0.00 C ATOM 197 CG GLU A 16 3.543 2.999 4.820 1.00 0.00 C ATOM 198 CD GLU A 16 2.228 2.372 4.369 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.189 2.929 4.687 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.278 1.344 3.714 1.00 0.00 O ATOM 0 H GLU A 16 5.190 5.708 2.432 1.00 0.00 H new ATOM 0 HA GLU A 16 5.565 2.987 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.385 4.958 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.993 4.589 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.338 2.253 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.456 3.352 5.848 1.00 0.00 H new ATOM 207 N GLU A 17 3.473 3.692 0.775 1.00 0.00 N ATOM 208 CA GLU A 17 2.663 3.108 -0.288 1.00 0.00 C ATOM 209 C GLU A 17 3.532 2.276 -1.224 1.00 0.00 C ATOM 210 O GLU A 17 3.143 1.191 -1.656 1.00 0.00 O ATOM 211 CB GLU A 17 1.966 4.205 -1.096 1.00 0.00 C ATOM 212 CG GLU A 17 0.960 3.572 -2.060 1.00 0.00 C ATOM 213 CD GLU A 17 0.439 4.633 -3.021 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.051 4.816 -4.061 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.565 5.249 -2.704 1.00 0.00 O ATOM 0 H GLU A 17 3.591 4.703 0.713 1.00 0.00 H new ATOM 0 HA GLU A 17 1.912 2.468 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.456 4.897 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.703 4.785 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.433 2.763 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.132 3.134 -1.502 1.00 0.00 H new ATOM 222 N ASP A 18 4.716 2.797 -1.532 1.00 0.00 N ATOM 223 CA ASP A 18 5.640 2.095 -2.420 1.00 0.00 C ATOM 224 C ASP A 18 6.050 0.760 -1.809 1.00 0.00 C ATOM 225 O ASP A 18 6.236 -0.232 -2.515 1.00 0.00 O ATOM 226 CB ASP A 18 6.894 2.937 -2.664 1.00 0.00 C ATOM 227 CG ASP A 18 7.533 2.528 -3.986 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.294 1.574 -3.982 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.252 3.173 -4.982 1.00 0.00 O ATOM 0 H ASP A 18 5.057 3.693 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 18 5.131 1.922 -3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.635 3.996 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.602 2.798 -1.847 1.00 0.00 H new ATOM 234 N LEU A 19 6.183 0.743 -0.485 1.00 0.00 N ATOM 235 CA LEU A 19 6.566 -0.481 0.218 1.00 0.00 C ATOM 236 C LEU A 19 5.511 -1.560 0.005 1.00 0.00 C ATOM 237 O LEU A 19 5.811 -2.664 -0.448 1.00 0.00 O ATOM 238 CB LEU A 19 6.716 -0.215 1.716 1.00 0.00 C ATOM 239 CG LEU A 19 7.794 -1.134 2.291 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.515 -0.420 3.438 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.145 -2.415 2.818 1.00 0.00 C ATOM 0 H LEU A 19 6.034 1.552 0.118 1.00 0.00 H new ATOM 0 HA LEU A 19 7.521 -0.819 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.983 0.828 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.767 -0.388 2.224 1.00 0.00 H new ATOM 0 HG LEU A 19 8.511 -1.384 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.284 -1.075 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.978 0.493 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.797 -0.169 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.914 -3.070 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.427 -2.164 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.631 -2.924 2.003 1.00 0.00 H new ATOM 253 N LEU A 20 4.267 -1.223 0.331 1.00 0.00 N ATOM 254 CA LEU A 20 3.163 -2.164 0.166 1.00 0.00 C ATOM 255 C LEU A 20 2.949 -2.482 -1.314 1.00 0.00 C ATOM 256 O LEU A 20 2.458 -3.554 -1.667 1.00 0.00 O ATOM 257 CB LEU A 20 1.873 -1.580 0.743 1.00 0.00 C ATOM 258 CG LEU A 20 1.752 -1.971 2.217 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.891 -0.941 2.950 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.098 -3.351 2.325 1.00 0.00 C ATOM 0 H LEU A 20 3.999 -0.314 0.708 1.00 0.00 H new ATOM 0 HA LEU A 20 3.417 -3.079 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.876 -0.495 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.012 -1.950 0.186 1.00 0.00 H new ATOM 0 HG LEU A 20 2.744 -2.001 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.805 -1.220 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.355 0.042 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.101 -0.910 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.011 -3.631 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.106 -3.320 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.711 -4.086 1.803 1.00 0.00 H new ATOM 272 N ARG A 21 3.322 -1.534 -2.178 1.00 0.00 N ATOM 273 CA ARG A 21 3.168 -1.715 -3.622 1.00 0.00 C ATOM 274 C ARG A 21 3.891 -2.978 -4.090 1.00 0.00 C ATOM 275 O ARG A 21 3.316 -3.824 -4.773 1.00 0.00 O ATOM 276 CB ARG A 21 3.736 -0.501 -4.368 1.00 0.00 C ATOM 277 CG ARG A 21 2.798 -0.105 -5.512 1.00 0.00 C ATOM 278 CD ARG A 21 2.818 1.416 -5.690 1.00 0.00 C ATOM 279 NE ARG A 21 2.731 1.772 -7.107 1.00 0.00 N ATOM 280 CZ ARG A 21 1.583 1.689 -7.796 1.00 0.00 C ATOM 281 NH1 ARG A 21 0.475 1.280 -7.224 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.567 2.022 -9.057 1.00 0.00 N ATOM 0 H ARG A 21 3.730 -0.640 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 21 2.105 -1.815 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.857 0.335 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.725 -0.736 -4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.108 -0.593 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.784 -0.443 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.985 1.862 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.733 1.825 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 21 3.572 2.094 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.477 1.018 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.388 1.224 -7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.423 2.342 -9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.699 1.962 -9.589 1.00 0.00 H new ATOM 296 N LYS A 22 5.162 -3.090 -3.714 1.00 0.00 N ATOM 297 CA LYS A 22 5.961 -4.250 -4.099 1.00 0.00 C ATOM 298 C LYS A 22 5.479 -5.497 -3.362 1.00 0.00 C ATOM 299 O LYS A 22 5.553 -6.610 -3.883 1.00 0.00 O ATOM 300 CB LYS A 22 7.438 -4.019 -3.769 1.00 0.00 C ATOM 301 CG LYS A 22 7.910 -2.720 -4.426 1.00 0.00 C ATOM 302 CD LYS A 22 9.424 -2.584 -4.260 1.00 0.00 C ATOM 303 CE LYS A 22 9.848 -1.153 -4.594 1.00 0.00 C ATOM 304 NZ LYS A 22 11.247 -1.155 -5.106 1.00 0.00 N ATOM 0 H LYS A 22 5.657 -2.400 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 22 5.847 -4.393 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.576 -3.964 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.037 -4.858 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.648 -2.719 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.406 -1.867 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.712 -2.831 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.937 -3.289 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.177 -0.729 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.775 -0.524 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.535 -0.182 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.882 -1.543 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.302 -1.741 -5.963 1.00 0.00 H new ATOM 318 N ARG A 23 4.983 -5.297 -2.143 1.00 0.00 N ATOM 319 CA ARG A 23 4.490 -6.410 -1.339 1.00 0.00 C ATOM 320 C ARG A 23 3.322 -7.099 -2.040 1.00 0.00 C ATOM 321 O ARG A 23 3.272 -8.325 -2.135 1.00 0.00 O ATOM 322 CB ARG A 23 4.028 -5.915 0.033 1.00 0.00 C ATOM 323 CG ARG A 23 4.291 -6.996 1.083 1.00 0.00 C ATOM 324 CD ARG A 23 3.203 -8.068 1.000 1.00 0.00 C ATOM 325 NE ARG A 23 2.902 -8.603 2.329 1.00 0.00 N ATOM 326 CZ ARG A 23 3.779 -9.350 3.013 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.956 -9.646 2.513 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.458 -9.794 4.196 1.00 0.00 N ATOM 0 H ARG A 23 4.912 -4.384 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 23 5.306 -7.121 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.557 -5.000 0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.966 -5.672 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.271 -7.445 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.305 -6.554 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.300 -7.644 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.529 -8.874 0.343 1.00 0.00 H new ATOM 0 HE ARG A 23 1.994 -8.400 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.217 -9.306 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.609 -10.216 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.545 -9.572 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.119 -10.363 4.724 1.00 0.00 H new ATOM 342 N ARG A 24 2.385 -6.293 -2.529 1.00 0.00 N ATOM 343 CA ARG A 24 1.217 -6.830 -3.221 1.00 0.00 C ATOM 344 C ARG A 24 1.638 -7.533 -4.510 1.00 0.00 C ATOM 345 O ARG A 24 1.008 -8.499 -4.939 1.00 0.00 O ATOM 346 CB ARG A 24 0.234 -5.709 -3.564 1.00 0.00 C ATOM 347 CG ARG A 24 -1.074 -6.318 -4.075 1.00 0.00 C ATOM 348 CD ARG A 24 -2.252 -5.449 -3.627 1.00 0.00 C ATOM 349 NE ARG A 24 -3.448 -5.756 -4.416 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.564 -5.399 -5.703 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.604 -4.753 -6.321 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.654 -5.700 -6.355 1.00 0.00 N ATOM 0 H ARG A 24 2.410 -5.276 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 24 0.733 -7.546 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.043 -5.096 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.663 -5.053 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.054 -6.389 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.190 -7.332 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.454 -5.618 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.997 -4.395 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.217 -6.257 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.748 -4.512 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.714 -4.491 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.407 -6.202 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.753 -5.433 -7.335 1.00 0.00 H new ATOM 366 N GLU A 25 2.710 -7.036 -5.121 1.00 0.00 N ATOM 367 CA GLU A 25 3.210 -7.624 -6.363 1.00 0.00 C ATOM 368 C GLU A 25 3.609 -9.080 -6.142 1.00 0.00 C ATOM 369 O GLU A 25 3.339 -9.945 -6.975 1.00 0.00 O ATOM 370 CB GLU A 25 4.425 -6.848 -6.874 1.00 0.00 C ATOM 371 CG GLU A 25 4.509 -6.974 -8.396 1.00 0.00 C ATOM 372 CD GLU A 25 5.957 -6.804 -8.842 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.818 -7.434 -8.249 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.184 -6.049 -9.773 1.00 0.00 O ATOM 0 H GLU A 25 3.245 -6.236 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 25 2.411 -7.574 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.345 -5.799 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.335 -7.234 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.132 -7.947 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.881 -6.219 -8.869 1.00 0.00 H new ATOM 381 N GLN A 26 4.253 -9.340 -5.008 1.00 0.00 N ATOM 382 CA GLN A 26 4.684 -10.696 -4.683 1.00 0.00 C ATOM 383 C GLN A 26 3.473 -11.595 -4.455 1.00 0.00 C ATOM 384 O GLN A 26 3.385 -12.692 -5.006 1.00 0.00 O ATOM 385 CB GLN A 26 5.549 -10.696 -3.421 1.00 0.00 C ATOM 386 CG GLN A 26 6.482 -11.909 -3.440 1.00 0.00 C ATOM 387 CD GLN A 26 7.336 -11.914 -2.179 1.00 0.00 C ATOM 388 OE1 GLN A 26 6.811 -11.938 -1.066 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.636 -11.894 -2.285 1.00 0.00 N ATOM 0 H GLN A 26 4.486 -8.638 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 26 5.268 -11.075 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.132 -9.777 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.916 -10.725 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.899 -12.828 -3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.120 -11.877 -4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.072 -11.874 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.216 -11.898 -1.446 1.00 0.00 H new ATOM 398 N LEU A 27 2.540 -11.115 -3.638 1.00 0.00 N ATOM 399 CA LEU A 27 1.333 -11.881 -3.343 1.00 0.00 C ATOM 400 C LEU A 27 0.502 -12.066 -4.608 1.00 0.00 C ATOM 401 O LEU A 27 -0.130 -13.104 -4.809 1.00 0.00 O ATOM 402 CB LEU A 27 0.486 -11.164 -2.289 1.00 0.00 C ATOM 403 CG LEU A 27 1.321 -10.943 -1.027 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.705 -9.814 -0.198 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.341 -12.229 -0.200 1.00 0.00 C ATOM 0 H LEU A 27 2.595 -10.209 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 27 1.636 -12.855 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.135 -10.208 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.398 -11.756 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 27 2.339 -10.673 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.300 -9.657 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.689 -8.897 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.313 -10.083 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.936 -12.074 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.322 -12.497 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.779 -13.034 -0.790 1.00 0.00 H new ATOM 417 N LYS A 28 0.512 -11.045 -5.459 1.00 0.00 N ATOM 418 CA LYS A 28 -0.242 -11.099 -6.709 1.00 0.00 C ATOM 419 C LYS A 28 0.470 -11.989 -7.724 1.00 0.00 C ATOM 420 O LYS A 28 -0.165 -12.638 -8.556 1.00 0.00 O ATOM 421 CB LYS A 28 -0.400 -9.697 -7.301 1.00 0.00 C ATOM 422 CG LYS A 28 -1.604 -9.672 -8.244 1.00 0.00 C ATOM 423 CD LYS A 28 -1.584 -8.378 -9.061 1.00 0.00 C ATOM 424 CE LYS A 28 -2.990 -8.088 -9.590 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.492 -9.269 -10.345 1.00 0.00 N ATOM 0 H LYS A 28 1.028 -10.178 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.226 -11.513 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.535 -8.967 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.504 -9.415 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.577 -10.535 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.529 -9.739 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.239 -7.550 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.883 -8.470 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.661 -7.861 -8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.973 -7.211 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.288 -8.982 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.728 -9.653 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.812 -9.998 -9.676 1.00 0.00 H new ATOM 439 N HIS A 29 1.799 -12.012 -7.645 1.00 0.00 N ATOM 440 CA HIS A 29 2.594 -12.825 -8.563 1.00 0.00 C ATOM 441 C HIS A 29 2.245 -14.303 -8.404 1.00 0.00 C ATOM 442 O HIS A 29 2.282 -15.070 -9.365 1.00 0.00 O ATOM 443 CB HIS A 29 4.087 -12.634 -8.292 1.00 0.00 C ATOM 444 CG HIS A 29 4.596 -11.467 -9.094 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.298 -11.308 -10.438 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.383 -10.394 -8.755 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.896 -10.177 -10.856 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.571 -9.581 -9.869 1.00 0.00 N ATOM 0 H HIS A 29 2.343 -11.484 -6.963 1.00 0.00 H new ATOM 0 HA HIS A 29 2.366 -12.504 -9.580 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.255 -12.460 -7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.635 -13.538 -8.558 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.729 -11.934 -11.007 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.794 -10.209 -7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.837 -9.798 -11.866 1.00 0.00 H new ATOM 456 N LYS A 30 1.908 -14.691 -7.178 1.00 0.00 N ATOM 457 CA LYS A 30 1.553 -16.080 -6.900 1.00 0.00 C ATOM 458 C LYS A 30 0.131 -16.369 -7.370 1.00 0.00 C ATOM 459 O LYS A 30 -0.106 -17.298 -8.142 1.00 0.00 O ATOM 460 CB LYS A 30 1.650 -16.370 -5.401 1.00 0.00 C ATOM 461 CG LYS A 30 3.095 -16.727 -5.044 1.00 0.00 C ATOM 462 CD LYS A 30 3.105 -17.656 -3.828 1.00 0.00 C ATOM 463 CE LYS A 30 4.547 -18.029 -3.484 1.00 0.00 C ATOM 464 NZ LYS A 30 4.560 -18.898 -2.274 1.00 0.00 N ATOM 0 H LYS A 30 1.873 -14.071 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 30 2.253 -16.720 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.327 -15.500 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.985 -17.191 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.581 -17.213 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.662 -15.821 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.632 -17.165 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.526 -18.555 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.010 -18.549 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.134 -17.128 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.541 -19.152 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.134 -18.387 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.014 -19.763 -2.462 1.00 0.00 H new ATOM 478 N LEU A 31 -0.812 -15.559 -6.897 1.00 0.00 N ATOM 479 CA LEU A 31 -2.213 -15.731 -7.273 1.00 0.00 C ATOM 480 C LEU A 31 -2.384 -15.572 -8.782 1.00 0.00 C ATOM 481 O LEU A 31 -3.045 -16.379 -9.434 1.00 0.00 O ATOM 482 CB LEU A 31 -3.086 -14.694 -6.564 1.00 0.00 C ATOM 483 CG LEU A 31 -4.511 -15.235 -6.427 1.00 0.00 C ATOM 484 CD1 LEU A 31 -5.132 -14.715 -5.130 1.00 0.00 C ATOM 485 CD2 LEU A 31 -5.350 -14.766 -7.619 1.00 0.00 C ATOM 0 H LEU A 31 -0.635 -14.784 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.521 -16.733 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.675 -14.469 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.092 -13.761 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.486 -16.325 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.147 -15.100 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.534 -15.048 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.158 -13.625 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.365 -15.151 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.375 -13.676 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.908 -15.137 -8.544 1.00 0.00 H new ATOM 497 N GLU A 32 -1.778 -14.519 -9.323 1.00 0.00 N ATOM 498 CA GLU A 32 -1.865 -14.253 -10.758 1.00 0.00 C ATOM 499 C GLU A 32 -1.290 -15.419 -11.560 1.00 0.00 C ATOM 500 O GLU A 32 -1.719 -15.692 -12.681 1.00 0.00 O ATOM 501 CB GLU A 32 -1.097 -12.979 -11.114 1.00 0.00 C ATOM 502 CG GLU A 32 -1.453 -12.548 -12.539 1.00 0.00 C ATOM 503 CD GLU A 32 -0.609 -11.340 -12.931 1.00 0.00 C ATOM 504 OE1 GLU A 32 -0.979 -10.239 -12.561 1.00 0.00 O ATOM 505 OE2 GLU A 32 0.395 -11.535 -13.596 1.00 0.00 O ATOM 0 H GLU A 32 -1.226 -13.841 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.918 -14.127 -11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.344 -12.184 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.024 -13.154 -11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.276 -13.369 -13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.513 -12.300 -12.601 1.00 0.00 H new ATOM 512 N GLN A 33 -0.310 -16.104 -10.972 1.00 0.00 N ATOM 513 CA GLN A 33 0.319 -17.243 -11.642 1.00 0.00 C ATOM 514 C GLN A 33 -0.712 -18.327 -11.940 1.00 0.00 C ATOM 515 O GLN A 33 -0.614 -19.039 -12.938 1.00 0.00 O ATOM 516 CB GLN A 33 1.425 -17.834 -10.765 1.00 0.00 C ATOM 517 CG GLN A 33 2.235 -18.845 -11.578 1.00 0.00 C ATOM 518 CD GLN A 33 3.201 -18.103 -12.496 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.950 -17.966 -13.693 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.304 -17.609 -12.001 1.00 0.00 N ATOM 0 H GLN A 33 0.062 -15.895 -10.046 1.00 0.00 H new ATOM 0 HA GLN A 33 0.748 -16.886 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.076 -17.041 -10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.991 -18.319 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.787 -19.506 -10.910 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.567 -19.473 -12.167 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.513 -17.722 -11.009 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.956 -17.110 -12.606 1.00 0.00 H new ATOM 529 N LEU A 34 -1.705 -18.442 -11.059 1.00 0.00 N ATOM 530 CA LEU A 34 -2.759 -19.440 -11.228 1.00 0.00 C ATOM 531 C LEU A 34 -2.171 -20.850 -11.211 1.00 0.00 C ATOM 532 O LEU A 34 -2.206 -21.535 -10.190 1.00 0.00 O ATOM 533 CB LEU A 34 -3.506 -19.217 -12.547 1.00 0.00 C ATOM 534 CG LEU A 34 -4.216 -17.863 -12.508 1.00 0.00 C ATOM 535 CD1 LEU A 34 -4.243 -17.260 -13.913 1.00 0.00 C ATOM 536 CD2 LEU A 34 -5.650 -18.052 -12.008 1.00 0.00 C ATOM 0 H LEU A 34 -1.801 -17.861 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.458 -19.333 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.807 -19.249 -13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.231 -20.015 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.681 -17.193 -11.835 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.749 -16.295 -13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.222 -17.124 -14.270 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.777 -17.930 -14.586 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.156 -17.087 -11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.185 -18.723 -12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.632 -18.481 -11.006 1.00 0.00 H new HETATM 548 N NH2 A 35 -1.625 -21.331 -12.296 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 2.713 22.995 -4.759 1.00 0.00 C HETATM 553 O ACE B 2 1.571 23.087 -4.310 1.00 0.00 O HETATM 554 CH3 ACE B 2 3.010 23.299 -6.225 1.00 0.00 C HETATM 0 H1 ACE B 2 3.727 24.117 -6.289 1.00 0.00 H new HETATM 0 H2 ACE B 2 3.427 22.413 -6.703 1.00 0.00 H new HETATM 0 H3 ACE B 2 2.088 23.584 -6.731 1.00 0.00 H new ATOM 558 N CYS B 3 3.758 22.630 -4.019 1.00 0.00 N ATOM 559 CA CYS B 3 3.606 22.311 -2.601 1.00 0.00 C ATOM 560 C CYS B 3 2.652 21.134 -2.417 1.00 0.00 C ATOM 561 O CYS B 3 1.439 21.311 -2.296 1.00 0.00 O ATOM 562 CB CYS B 3 3.061 23.519 -1.834 1.00 0.00 C ATOM 563 SG CYS B 3 3.377 23.302 -0.065 1.00 0.00 S ATOM 0 H CYS B 3 4.711 22.548 -4.374 1.00 0.00 H new ATOM 0 HA CYS B 3 4.589 22.047 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS B 3 3.536 24.434 -2.190 1.00 0.00 H new ATOM 0 HB3 CYS B 3 1.991 23.625 -2.013 1.00 0.00 H new ATOM 568 N GLY B 4 3.215 19.930 -2.397 1.00 0.00 N ATOM 569 CA GLY B 4 2.407 18.725 -2.227 1.00 0.00 C ATOM 570 C GLY B 4 1.469 18.533 -3.412 1.00 0.00 C ATOM 571 O GLY B 4 1.435 19.346 -4.335 1.00 0.00 O ATOM 0 H GLY B 4 4.216 19.762 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY B 4 3.058 17.856 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY B 4 1.828 18.797 -1.306 1.00 0.00 H new ATOM 575 N GLY B 5 0.704 17.445 -3.376 1.00 0.00 N ATOM 576 CA GLY B 5 -0.237 17.151 -4.453 1.00 0.00 C ATOM 577 C GLY B 5 -1.668 17.453 -4.018 1.00 0.00 C ATOM 578 O GLY B 5 -2.614 16.794 -4.446 1.00 0.00 O ATOM 0 H GLY B 5 0.716 16.759 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY B 5 0.013 17.744 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -0.153 16.103 -4.740 1.00 0.00 H new ATOM 582 N MET B 6 -1.811 18.462 -3.161 1.00 0.00 N ATOM 583 CA MET B 6 -3.131 18.853 -2.670 1.00 0.00 C ATOM 584 C MET B 6 -3.791 17.695 -1.926 1.00 0.00 C ATOM 585 O MET B 6 -3.209 16.621 -1.774 1.00 0.00 O ATOM 586 CB MET B 6 -4.033 19.282 -3.829 1.00 0.00 C ATOM 587 CG MET B 6 -3.768 20.750 -4.166 1.00 0.00 C ATOM 588 SD MET B 6 -5.235 21.463 -4.953 1.00 0.00 S ATOM 589 CE MET B 6 -4.919 23.186 -4.505 1.00 0.00 C ATOM 0 H MET B 6 -1.038 19.019 -2.795 1.00 0.00 H new ATOM 0 HA MET B 6 -2.997 19.693 -1.988 1.00 0.00 H new ATOM 0 HB2 MET B 6 -3.843 18.658 -4.702 1.00 0.00 H new ATOM 0 HB3 MET B 6 -5.080 19.143 -3.560 1.00 0.00 H new ATOM 0 HG2 MET B 6 -3.523 21.304 -3.260 1.00 0.00 H new ATOM 0 HG3 MET B 6 -2.909 20.832 -4.832 1.00 0.00 H new ATOM 0 HE1 MET B 6 -5.717 23.816 -4.897 1.00 0.00 H new ATOM 0 HE2 MET B 6 -4.883 23.279 -3.420 1.00 0.00 H new ATOM 0 HE3 MET B 6 -3.966 23.503 -4.928 1.00 0.00 H new ATOM 599 N ARG B 7 -5.017 17.928 -1.464 1.00 0.00 N ATOM 600 CA ARG B 7 -5.756 16.901 -0.734 1.00 0.00 C ATOM 601 C ARG B 7 -6.050 15.703 -1.635 1.00 0.00 C ATOM 602 O ARG B 7 -6.171 14.572 -1.164 1.00 0.00 O ATOM 603 CB ARG B 7 -7.078 17.464 -0.212 1.00 0.00 C ATOM 604 CG ARG B 7 -6.857 18.090 1.167 1.00 0.00 C ATOM 605 CD ARG B 7 -8.168 18.070 1.953 1.00 0.00 C ATOM 606 NE ARG B 7 -9.133 19.009 1.374 1.00 0.00 N ATOM 607 CZ ARG B 7 -10.337 19.224 1.924 1.00 0.00 C ATOM 608 NH1 ARG B 7 -10.706 18.600 3.016 1.00 0.00 N ATOM 609 NH2 ARG B 7 -11.153 20.072 1.362 1.00 0.00 N ATOM 0 H ARG B 7 -5.516 18.810 -1.580 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.138 16.579 0.104 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.466 18.211 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.823 16.671 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.088 17.540 1.709 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -6.501 19.114 1.060 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.585 17.063 1.949 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -7.978 18.332 2.994 1.00 0.00 H new ATOM 0 HE ARG B 7 -8.881 19.515 0.525 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -10.073 17.937 3.463 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -11.626 18.778 3.419 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -10.873 20.563 0.513 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -12.071 20.244 1.771 1.00 0.00 H new ATOM 623 N ARG B 8 -6.166 15.961 -2.937 1.00 0.00 N ATOM 624 CA ARG B 8 -6.450 14.894 -3.896 1.00 0.00 C ATOM 625 C ARG B 8 -5.369 13.817 -3.844 1.00 0.00 C ATOM 626 O ARG B 8 -5.661 12.633 -3.677 1.00 0.00 O ATOM 627 CB ARG B 8 -6.522 15.458 -5.317 1.00 0.00 C ATOM 628 CG ARG B 8 -7.917 16.034 -5.567 1.00 0.00 C ATOM 629 CD ARG B 8 -8.840 14.931 -6.085 1.00 0.00 C ATOM 630 NE ARG B 8 -9.842 15.482 -7.000 1.00 0.00 N ATOM 631 CZ ARG B 8 -9.551 15.801 -8.270 1.00 0.00 C ATOM 632 NH1 ARG B 8 -8.344 15.629 -8.753 1.00 0.00 N ATOM 633 NH2 ARG B 8 -10.486 16.289 -9.037 1.00 0.00 N ATOM 0 H ARG B 8 -6.069 16.889 -3.349 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.410 14.453 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.767 16.233 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.305 14.674 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.318 16.455 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.862 16.847 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.253 14.169 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.336 14.441 -5.247 1.00 0.00 H new ATOM 0 HE ARG B 8 -10.793 15.628 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.607 15.247 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.142 15.878 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -11.428 16.425 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -10.275 16.535 -10.004 1.00 0.00 H new ATOM 647 N LYS B 9 -4.117 14.241 -3.991 1.00 0.00 N ATOM 648 CA LYS B 9 -2.999 13.302 -3.959 1.00 0.00 C ATOM 649 C LYS B 9 -2.920 12.611 -2.601 1.00 0.00 C ATOM 650 O LYS B 9 -2.546 11.444 -2.503 1.00 0.00 O ATOM 651 CB LYS B 9 -1.679 14.030 -4.224 1.00 0.00 C ATOM 652 CG LYS B 9 -0.621 13.018 -4.671 1.00 0.00 C ATOM 653 CD LYS B 9 -0.899 12.592 -6.114 1.00 0.00 C ATOM 654 CE LYS B 9 0.323 11.862 -6.676 1.00 0.00 C ATOM 655 NZ LYS B 9 0.440 10.522 -6.034 1.00 0.00 N ATOM 0 H LYS B 9 -3.852 15.216 -4.132 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.165 12.557 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.818 14.790 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.348 14.545 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS B 9 0.373 13.458 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.635 12.148 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.773 11.941 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.127 13.466 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.229 11.753 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.225 12.445 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.270 10.026 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.548 10.638 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.417 9.966 -6.232 1.00 0.00 H new ATOM 669 N ASN B 10 -3.280 13.349 -1.556 1.00 0.00 N ATOM 670 CA ASN B 10 -3.249 12.802 -0.202 1.00 0.00 C ATOM 671 C ASN B 10 -4.395 11.815 0.002 1.00 0.00 C ATOM 672 O ASN B 10 -4.263 10.828 0.723 1.00 0.00 O ATOM 673 CB ASN B 10 -3.367 13.922 0.832 1.00 0.00 C ATOM 674 CG ASN B 10 -2.111 14.785 0.792 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.577 15.069 -0.280 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.600 15.225 1.910 1.00 0.00 N ATOM 0 H ASN B 10 -3.594 14.318 -1.618 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.298 12.286 -0.071 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.247 14.531 0.625 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.499 13.499 1.828 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.760 15.803 1.894 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.041 14.991 2.799 1.00 0.00 H new ATOM 683 N ASP B 11 -5.522 12.095 -0.647 1.00 0.00 N ATOM 684 CA ASP B 11 -6.691 11.226 -0.532 1.00 0.00 C ATOM 685 C ASP B 11 -6.399 9.859 -1.141 1.00 0.00 C ATOM 686 O ASP B 11 -6.718 8.823 -0.557 1.00 0.00 O ATOM 687 CB ASP B 11 -7.891 11.845 -1.252 1.00 0.00 C ATOM 688 CG ASP B 11 -9.155 11.067 -0.896 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.469 10.995 0.280 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.787 10.556 -1.805 1.00 0.00 O ATOM 0 H ASP B 11 -5.651 12.907 -1.251 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.922 11.111 0.527 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.002 12.891 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.731 11.826 -2.330 1.00 0.00 H new ATOM 695 N THR B 12 -5.788 9.867 -2.321 1.00 0.00 N ATOM 696 CA THR B 12 -5.454 8.622 -3.006 1.00 0.00 C ATOM 697 C THR B 12 -4.472 7.803 -2.174 1.00 0.00 C ATOM 698 O THR B 12 -4.500 6.573 -2.187 1.00 0.00 O ATOM 699 CB THR B 12 -4.829 8.910 -4.372 1.00 0.00 C ATOM 700 OG1 THR B 12 -3.917 9.994 -4.254 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.928 9.272 -5.372 1.00 0.00 C ATOM 0 H THR B 12 -5.516 10.714 -2.820 1.00 0.00 H new ATOM 0 HA THR B 12 -6.376 8.057 -3.142 1.00 0.00 H new ATOM 0 HB THR B 12 -4.299 8.025 -4.724 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.620 10.071 -3.323 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.481 9.477 -6.345 1.00 0.00 H new ATOM 0 HG22 THR B 12 -6.627 8.440 -5.461 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.460 10.157 -5.023 1.00 0.00 H new ATOM 709 N HIS B 13 -3.602 8.502 -1.449 1.00 0.00 N ATOM 710 CA HIS B 13 -2.611 7.832 -0.612 1.00 0.00 C ATOM 711 C HIS B 13 -3.298 7.015 0.477 1.00 0.00 C ATOM 712 O HIS B 13 -2.988 5.843 0.684 1.00 0.00 O ATOM 713 CB HIS B 13 -1.684 8.857 0.044 1.00 0.00 C ATOM 714 CG HIS B 13 -0.564 9.198 -0.900 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.291 8.235 -1.413 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.145 10.392 -1.431 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.172 8.861 -2.214 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.951 10.178 -2.261 1.00 0.00 N ATOM 0 H HIS B 13 -3.563 9.521 -1.424 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.026 7.169 -1.249 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.243 9.756 0.301 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.281 8.456 0.974 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.598 11.353 -1.234 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.962 8.360 -2.754 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.473 10.876 -2.791 1.00 0.00 H new ATOM 726 N GLN B 14 -4.232 7.655 1.170 1.00 0.00 N ATOM 727 CA GLN B 14 -4.964 6.987 2.243 1.00 0.00 C ATOM 728 C GLN B 14 -5.758 5.807 1.696 1.00 0.00 C ATOM 729 O GLN B 14 -5.756 4.717 2.271 1.00 0.00 O ATOM 730 CB GLN B 14 -5.926 7.963 2.922 1.00 0.00 C ATOM 731 CG GLN B 14 -5.164 8.799 3.952 1.00 0.00 C ATOM 732 CD GLN B 14 -6.034 9.966 4.406 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.920 10.409 3.675 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.832 10.495 5.581 1.00 0.00 N ATOM 0 H GLN B 14 -4.500 8.626 1.012 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.237 6.627 2.971 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.385 8.614 2.178 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.733 7.415 3.408 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.891 8.181 4.807 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.236 9.171 3.519 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.098 10.128 6.186 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.408 11.276 5.895 1.00 0.00 H new ATOM 743 N GLN B 15 -6.442 6.036 0.578 1.00 0.00 N ATOM 744 CA GLN B 15 -7.244 4.985 -0.042 1.00 0.00 C ATOM 745 C GLN B 15 -6.351 3.859 -0.552 1.00 0.00 C ATOM 746 O GLN B 15 -6.569 2.687 -0.248 1.00 0.00 O ATOM 747 CB GLN B 15 -8.055 5.547 -1.212 1.00 0.00 C ATOM 748 CG GLN B 15 -9.293 4.677 -1.437 1.00 0.00 C ATOM 749 CD GLN B 15 -10.135 5.273 -2.562 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.511 4.573 -3.502 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.457 6.536 -2.520 1.00 0.00 N ATOM 0 H GLN B 15 -6.458 6.930 0.087 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.923 4.594 0.715 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.352 6.574 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.444 5.570 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.995 3.660 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.880 4.617 -0.521 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.145 7.116 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.020 6.944 -3.266 1.00 0.00 H new ATOM 760 N ASP B 16 -5.337 4.227 -1.333 1.00 0.00 N ATOM 761 CA ASP B 16 -4.410 3.240 -1.887 1.00 0.00 C ATOM 762 C ASP B 16 -3.731 2.454 -0.767 1.00 0.00 C ATOM 763 O ASP B 16 -3.583 1.236 -0.845 1.00 0.00 O ATOM 764 CB ASP B 16 -3.338 3.927 -2.734 1.00 0.00 C ATOM 765 CG ASP B 16 -2.747 2.926 -3.720 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.502 2.119 -4.239 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.549 2.979 -3.941 1.00 0.00 O ATOM 0 H ASP B 16 -5.137 5.192 -1.595 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.984 2.557 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.770 4.771 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.553 4.327 -2.092 1.00 0.00 H new ATOM 772 N ILE B 17 -3.324 3.171 0.277 1.00 0.00 N ATOM 773 CA ILE B 17 -2.664 2.539 1.415 1.00 0.00 C ATOM 774 C ILE B 17 -3.611 1.539 2.082 1.00 0.00 C ATOM 775 O ILE B 17 -3.452 0.325 1.958 1.00 0.00 O ATOM 776 CB ILE B 17 -2.224 3.619 2.438 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.917 4.276 1.963 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.015 3.020 3.846 1.00 0.00 C ATOM 779 CD1 ILE B 17 0.206 3.233 1.872 1.00 0.00 C ATOM 0 H ILE B 17 -3.438 4.181 0.359 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.782 2.006 1.061 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.018 4.363 2.502 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.070 4.741 0.989 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.630 5.069 2.653 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.707 3.807 4.534 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.948 2.577 4.195 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.242 2.253 3.804 1.00 0.00 H new ATOM 0 HD11 ILE B 17 1.124 3.715 1.534 1.00 0.00 H new ATOM 0 HD12 ILE B 17 0.370 2.788 2.853 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.077 2.455 1.163 1.00 0.00 H new ATOM 791 N ASP B 18 -4.576 2.079 2.825 1.00 0.00 N ATOM 792 CA ASP B 18 -5.537 1.258 3.557 1.00 0.00 C ATOM 793 C ASP B 18 -6.087 0.113 2.698 1.00 0.00 C ATOM 794 O ASP B 18 -6.440 -0.949 3.209 1.00 0.00 O ATOM 795 CB ASP B 18 -6.703 2.125 4.046 1.00 0.00 C ATOM 796 CG ASP B 18 -6.437 2.592 5.473 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.624 1.798 6.380 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.048 3.737 5.638 1.00 0.00 O ATOM 0 H ASP B 18 -4.712 3.084 2.935 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.010 0.823 4.406 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.828 2.986 3.389 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.632 1.556 4.007 1.00 0.00 H new ATOM 803 N ASP B 19 -6.152 0.343 1.389 1.00 0.00 N ATOM 804 CA ASP B 19 -6.657 -0.676 0.472 1.00 0.00 C ATOM 805 C ASP B 19 -5.621 -1.783 0.289 1.00 0.00 C ATOM 806 O ASP B 19 -5.960 -2.962 0.203 1.00 0.00 O ATOM 807 CB ASP B 19 -6.984 -0.062 -0.890 1.00 0.00 C ATOM 808 CG ASP B 19 -7.678 -1.099 -1.768 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.849 -1.350 -1.539 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.029 -1.626 -2.656 1.00 0.00 O ATOM 0 H ASP B 19 -5.865 1.214 0.943 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.567 -1.096 0.902 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.627 0.809 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.070 0.284 -1.373 1.00 0.00 H new ATOM 815 N LEU B 20 -4.352 -1.387 0.232 1.00 0.00 N ATOM 816 CA LEU B 20 -3.270 -2.352 0.060 1.00 0.00 C ATOM 817 C LEU B 20 -3.199 -3.291 1.259 1.00 0.00 C ATOM 818 O LEU B 20 -2.981 -4.493 1.113 1.00 0.00 O ATOM 819 CB LEU B 20 -1.928 -1.630 -0.089 1.00 0.00 C ATOM 820 CG LEU B 20 -1.816 -1.044 -1.496 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.753 0.055 -1.509 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.417 -2.149 -2.478 1.00 0.00 C ATOM 0 H LEU B 20 -4.050 -0.415 0.302 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.473 -2.929 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.846 -0.837 0.654 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.108 -2.324 0.093 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.777 -0.623 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.674 0.473 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.035 0.842 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.208 -0.365 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.337 -1.732 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.456 -2.569 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.174 -2.933 -2.470 1.00 0.00 H new ATOM 834 N LYS B 21 -3.390 -2.726 2.448 1.00 0.00 N ATOM 835 CA LYS B 21 -3.347 -3.518 3.674 1.00 0.00 C ATOM 836 C LYS B 21 -4.487 -4.531 3.693 1.00 0.00 C ATOM 837 O LYS B 21 -4.294 -5.699 4.029 1.00 0.00 O ATOM 838 CB LYS B 21 -3.466 -2.611 4.901 1.00 0.00 C ATOM 839 CG LYS B 21 -2.176 -1.804 5.068 1.00 0.00 C ATOM 840 CD LYS B 21 -1.226 -2.548 6.009 1.00 0.00 C ATOM 841 CE LYS B 21 -0.028 -1.655 6.338 1.00 0.00 C ATOM 842 NZ LYS B 21 0.416 -1.913 7.735 1.00 0.00 N ATOM 0 H LYS B 21 -3.574 -1.733 2.589 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.393 -4.044 3.702 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.316 -1.938 4.788 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.650 -3.210 5.793 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.701 -1.654 4.099 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.402 -0.816 5.469 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.748 -2.826 6.925 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.886 -3.473 5.543 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.788 -1.853 5.643 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.300 -0.606 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.230 -1.306 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.363 -1.703 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.691 -2.911 7.833 1.00 0.00 H new ATOM 856 N ARG B 22 -5.679 -4.067 3.330 1.00 0.00 N ATOM 857 CA ARG B 22 -6.851 -4.938 3.306 1.00 0.00 C ATOM 858 C ARG B 22 -6.673 -6.047 2.273 1.00 0.00 C ATOM 859 O ARG B 22 -7.174 -7.160 2.443 1.00 0.00 O ATOM 860 CB ARG B 22 -8.108 -4.136 2.966 1.00 0.00 C ATOM 861 CG ARG B 22 -9.345 -5.011 3.177 1.00 0.00 C ATOM 862 CD ARG B 22 -10.513 -4.141 3.650 1.00 0.00 C ATOM 863 NE ARG B 22 -10.589 -4.132 5.113 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.113 -5.152 5.807 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.584 -6.217 5.200 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.155 -5.087 7.110 1.00 0.00 N ATOM 0 H ARG B 22 -5.859 -3.103 3.051 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.960 -5.380 4.296 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.166 -3.248 3.595 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.065 -3.793 1.932 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.608 -5.517 2.248 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.134 -5.786 3.914 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.388 -3.123 3.281 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -11.447 -4.519 3.234 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.231 -3.323 5.620 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.555 -6.279 4.182 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.979 -6.983 5.746 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.791 -4.265 7.592 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.552 -5.858 7.647 1.00 0.00 H new ATOM 880 N GLN B 23 -5.958 -5.730 1.198 1.00 0.00 N ATOM 881 CA GLN B 23 -5.721 -6.707 0.138 1.00 0.00 C ATOM 882 C GLN B 23 -4.577 -7.643 0.517 1.00 0.00 C ATOM 883 O GLN B 23 -4.713 -8.864 0.465 1.00 0.00 O ATOM 884 CB GLN B 23 -5.372 -6.000 -1.174 1.00 0.00 C ATOM 885 CG GLN B 23 -6.656 -5.678 -1.937 1.00 0.00 C ATOM 886 CD GLN B 23 -7.264 -6.968 -2.479 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.930 -7.405 -3.580 1.00 0.00 O ATOM 888 NE2 GLN B 23 -8.147 -7.610 -1.763 1.00 0.00 N ATOM 0 H GLN B 23 -5.536 -4.815 1.037 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.635 -7.287 0.007 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.818 -5.084 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.725 -6.634 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.366 -5.177 -1.279 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.442 -4.992 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -8.424 -7.248 -0.850 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.560 -8.473 -2.116 1.00 0.00 H new ATOM 897 N ASN B 24 -3.446 -7.054 0.897 1.00 0.00 N ATOM 898 CA ASN B 24 -2.280 -7.843 1.283 1.00 0.00 C ATOM 899 C ASN B 24 -2.589 -8.694 2.510 1.00 0.00 C ATOM 900 O ASN B 24 -2.068 -9.800 2.664 1.00 0.00 O ATOM 901 CB ASN B 24 -1.094 -6.929 1.596 1.00 0.00 C ATOM 902 CG ASN B 24 -0.758 -6.085 0.371 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.601 -5.882 -0.504 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.437 -5.574 0.256 1.00 0.00 N ATOM 0 H ASN B 24 -3.313 -6.044 0.946 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.026 -8.494 0.447 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.334 -6.283 2.440 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.229 -7.526 1.887 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.673 -5.007 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.135 -5.742 0.980 1.00 0.00 H new ATOM 911 N ALA B 25 -3.439 -8.165 3.384 1.00 0.00 N ATOM 912 CA ALA B 25 -3.812 -8.882 4.601 1.00 0.00 C ATOM 913 C ALA B 25 -4.654 -10.109 4.264 1.00 0.00 C ATOM 914 O ALA B 25 -4.407 -11.206 4.764 1.00 0.00 O ATOM 915 CB ALA B 25 -4.608 -7.971 5.537 1.00 0.00 C ATOM 0 H ALA B 25 -3.880 -7.251 3.276 1.00 0.00 H new ATOM 0 HA ALA B 25 -2.895 -9.199 5.097 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -4.877 -8.522 6.438 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.001 -7.107 5.807 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.514 -7.634 5.033 1.00 0.00 H new ATOM 921 N LEU B 26 -5.656 -9.909 3.412 1.00 0.00 N ATOM 922 CA LEU B 26 -6.535 -11.007 3.014 1.00 0.00 C ATOM 923 C LEU B 26 -5.820 -11.937 2.039 1.00 0.00 C ATOM 924 O LEU B 26 -5.970 -13.158 2.100 1.00 0.00 O ATOM 925 CB LEU B 26 -7.802 -10.464 2.348 1.00 0.00 C ATOM 926 CG LEU B 26 -8.815 -10.073 3.425 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.738 -8.979 2.883 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.648 -11.298 3.808 1.00 0.00 C ATOM 0 H LEU B 26 -5.879 -9.009 2.988 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.806 -11.562 3.912 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.559 -9.599 1.730 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.230 -11.218 1.687 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.288 -9.702 4.304 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.460 -8.700 3.650 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.145 -8.107 2.608 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.266 -9.351 2.005 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.371 -11.021 4.576 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.176 -11.668 2.929 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.992 -12.079 4.192 1.00 0.00 H new ATOM 940 N LEU B 27 -5.041 -11.346 1.140 1.00 0.00 N ATOM 941 CA LEU B 27 -4.304 -12.129 0.151 1.00 0.00 C ATOM 942 C LEU B 27 -3.271 -13.018 0.837 1.00 0.00 C ATOM 943 O LEU B 27 -3.193 -14.218 0.577 1.00 0.00 O ATOM 944 CB LEU B 27 -3.590 -11.207 -0.840 1.00 0.00 C ATOM 945 CG LEU B 27 -4.621 -10.535 -1.747 1.00 0.00 C ATOM 946 CD1 LEU B 27 -4.041 -9.234 -2.302 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.970 -11.473 -2.905 1.00 0.00 C ATOM 0 H LEU B 27 -4.903 -10.338 1.074 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.020 -12.752 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.017 -10.452 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.881 -11.779 -1.439 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.521 -10.315 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.776 -8.755 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.792 -8.566 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.141 -9.453 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.705 -10.994 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.070 -11.693 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.384 -12.401 -2.510 1.00 0.00 H new ATOM 959 N GLU B 28 -2.479 -12.416 1.718 1.00 0.00 N ATOM 960 CA GLU B 28 -1.448 -13.160 2.441 1.00 0.00 C ATOM 961 C GLU B 28 -2.077 -14.281 3.270 1.00 0.00 C ATOM 962 O GLU B 28 -1.545 -15.388 3.349 1.00 0.00 O ATOM 963 CB GLU B 28 -0.674 -12.218 3.372 1.00 0.00 C ATOM 964 CG GLU B 28 0.461 -12.982 4.064 1.00 0.00 C ATOM 965 CD GLU B 28 1.706 -12.105 4.136 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.263 -11.813 3.091 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.085 -11.737 5.235 1.00 0.00 O ATOM 0 H GLU B 28 -2.528 -11.424 1.949 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.766 -13.595 1.711 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.267 -11.383 2.802 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.347 -11.796 4.118 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.154 -13.277 5.068 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.682 -13.898 3.516 1.00 0.00 H new ATOM 974 N GLN B 29 -3.213 -13.973 3.891 1.00 0.00 N ATOM 975 CA GLN B 29 -3.919 -14.950 4.725 1.00 0.00 C ATOM 976 C GLN B 29 -4.177 -16.251 3.964 1.00 0.00 C ATOM 977 O GLN B 29 -3.857 -17.339 4.445 1.00 0.00 O ATOM 978 CB GLN B 29 -5.258 -14.378 5.194 1.00 0.00 C ATOM 979 CG GLN B 29 -5.626 -14.986 6.549 1.00 0.00 C ATOM 980 CD GLN B 29 -6.264 -16.353 6.336 1.00 0.00 C ATOM 981 OE1 GLN B 29 -5.576 -17.375 6.340 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.553 -16.437 6.147 1.00 0.00 N ATOM 0 H GLN B 29 -3.665 -13.060 3.835 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.283 -15.164 5.584 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.193 -13.293 5.276 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.035 -14.597 4.462 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -4.736 -15.081 7.171 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.316 -14.329 7.079 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.124 -15.592 6.143 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.989 -17.348 6.003 1.00 0.00 H new ATOM 991 N GLN B 30 -4.763 -16.131 2.776 1.00 0.00 N ATOM 992 CA GLN B 30 -5.062 -17.312 1.967 1.00 0.00 C ATOM 993 C GLN B 30 -3.774 -17.942 1.436 1.00 0.00 C ATOM 994 O GLN B 30 -3.702 -19.154 1.231 1.00 0.00 O ATOM 995 CB GLN B 30 -5.969 -16.947 0.789 1.00 0.00 C ATOM 996 CG GLN B 30 -5.338 -15.810 -0.017 1.00 0.00 C ATOM 997 CD GLN B 30 -6.046 -15.688 -1.362 1.00 0.00 C ATOM 998 OE1 GLN B 30 -5.614 -16.274 -2.354 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.119 -14.951 -1.456 1.00 0.00 N ATOM 0 H GLN B 30 -5.037 -15.243 2.356 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.577 -18.030 2.605 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.120 -17.818 0.151 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.951 -16.645 1.154 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -5.416 -14.873 0.534 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -4.276 -16.003 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.478 -14.465 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -7.599 -14.861 -2.351 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.757 -17.110 1.220 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.476 -17.605 0.717 1.00 0.00 C ATOM 1010 C VAL B 31 -0.747 -18.383 1.813 1.00 0.00 C ATOM 1011 O VAL B 31 -0.068 -19.374 1.543 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.598 -16.439 0.242 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.718 -16.972 -0.335 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.339 -15.651 -0.844 1.00 0.00 C ATOM 0 H VAL B 31 -2.792 -16.104 1.382 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.670 -18.267 -0.127 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.383 -15.790 1.091 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.334 -16.137 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.252 -17.532 0.433 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.506 -17.627 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.716 -14.823 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.557 -16.308 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.272 -15.261 -0.438 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.896 -17.925 3.052 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.246 -18.586 4.181 1.00 0.00 C ATOM 1026 C ARG B 32 -0.886 -19.950 4.431 1.00 0.00 C ATOM 1027 O ARG B 32 -0.199 -20.936 4.698 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.366 -17.730 5.450 1.00 0.00 C ATOM 1029 CG ARG B 32 0.951 -16.987 5.700 1.00 0.00 C ATOM 1030 CD ARG B 32 2.021 -17.983 6.152 1.00 0.00 C ATOM 1031 NE ARG B 32 1.880 -18.284 7.579 1.00 0.00 N ATOM 1032 CZ ARG B 32 2.342 -17.461 8.532 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.935 -16.332 8.228 1.00 0.00 N ATOM 1034 NH2 ARG B 32 2.195 -17.790 9.787 1.00 0.00 N ATOM 0 H ARG B 32 -1.454 -17.108 3.300 1.00 0.00 H new ATOM 0 HA ARG B 32 0.808 -18.717 3.938 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.183 -17.016 5.342 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.606 -18.362 6.305 1.00 0.00 H new ATOM 0 HG2 ARG B 32 1.273 -16.479 4.791 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.809 -16.219 6.461 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.938 -18.902 5.572 1.00 0.00 H new ATOM 0 HD3 ARG B 32 3.012 -17.572 5.958 1.00 0.00 H new ATOM 0 HE ARG B 32 1.415 -19.148 7.857 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.052 -16.065 7.251 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.279 -15.721 8.969 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.733 -18.665 10.034 1.00 0.00 H new ATOM 0 HH22 ARG B 32 2.542 -17.172 10.520 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.213 -19.993 4.344 1.00 0.00 N ATOM 1049 CA ALA B 33 -2.943 -21.239 4.561 1.00 0.00 C ATOM 1050 C ALA B 33 -2.680 -22.215 3.419 1.00 0.00 C ATOM 1051 O ALA B 33 -2.368 -23.385 3.643 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.446 -20.971 4.655 1.00 0.00 C ATOM 0 H ALA B 33 -2.800 -19.188 4.127 1.00 0.00 H new ATOM 0 HA ALA B 33 -2.595 -21.674 5.498 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -4.974 -21.911 4.817 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.644 -20.296 5.488 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.793 -20.515 3.728 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.811 -21.720 2.192 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.587 -22.557 1.017 1.00 0.00 C ATOM 1060 C LEU B 34 -1.136 -22.456 0.561 1.00 0.00 C ATOM 1061 O LEU B 34 -0.339 -23.368 0.780 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.503 -22.125 -0.132 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.874 -22.780 0.033 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.578 -22.192 1.258 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.719 -22.516 -1.216 1.00 0.00 C ATOM 0 H LEU B 34 -3.068 -20.755 1.986 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.811 -23.588 1.291 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.606 -21.040 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -3.064 -22.411 -1.088 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.749 -23.854 0.167 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.556 -22.660 1.375 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.977 -22.380 2.148 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.703 -21.117 1.125 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.697 -22.983 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.844 -21.442 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.219 -22.935 -2.089 1.00 0.00 H new HETATM 1077 N NH2 B 35 -0.738 -21.385 -0.071 1.00 0.00 N TER 1080 NH2 B 35