USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=6 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: A 11 GLN :FLIP amide:sc= -0.597 F(o=-0.88,f=0.41) USER MOD Set 1.2: A 15 SER OG : rot -101:sc= 1 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.621 K(o=-0.62,f=-4.1!) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.406 (180deg=-1.61!) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.82 F(o=-1.6,f=-0.82) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.3!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -0.998 X(o=-1,f=-0.55) USER MOD Single : B 14 GLN : amide:sc= -2.31 K(o=-2.3,f=-3.7!) USER MOD Single : B 15 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.3!) USER MOD Single : B 21 LYS NZ :NH3+ 166:sc=-0.00576 (180deg=-0.193) USER MOD Single : B 23 GLN : amide:sc= 0.0297 K(o=0.03,f=-3.4!) USER MOD Single : B 24 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.5!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.600 18.207 2.672 1.00 0.00 N ATOM 48 CA GLN A 7 5.622 17.657 1.784 1.00 0.00 C ATOM 49 C GLN A 7 6.280 16.435 2.419 1.00 0.00 C ATOM 50 O GLN A 7 6.559 15.443 1.744 1.00 0.00 O ATOM 51 CB GLN A 7 6.698 18.706 1.495 1.00 0.00 C ATOM 52 CG GLN A 7 6.047 19.953 0.894 1.00 0.00 C ATOM 53 CD GLN A 7 6.077 19.863 -0.627 1.00 0.00 C ATOM 54 OE1 GLN A 7 5.096 19.457 -1.252 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.156 20.220 -1.269 1.00 0.00 N ATOM 0 HA GLN A 7 5.137 17.366 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.225 18.965 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.439 18.302 0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.018 20.042 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.575 20.847 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.969 20.556 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.186 20.163 -2.287 1.00 0.00 H new ATOM 64 N ALA A 8 6.521 16.516 3.723 1.00 0.00 N ATOM 65 CA ALA A 8 7.144 15.409 4.444 1.00 0.00 C ATOM 66 C ALA A 8 6.137 14.285 4.667 1.00 0.00 C ATOM 67 O ALA A 8 6.457 13.106 4.513 1.00 0.00 O ATOM 68 CB ALA A 8 7.672 15.881 5.799 1.00 0.00 C ATOM 0 H ALA A 8 6.298 17.328 4.299 1.00 0.00 H new ATOM 0 HA ALA A 8 7.974 15.040 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.133 15.043 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.413 16.666 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.847 16.271 6.395 1.00 0.00 H new ATOM 74 N GLU A 9 4.916 14.666 5.029 1.00 0.00 N ATOM 75 CA GLU A 9 3.862 13.685 5.272 1.00 0.00 C ATOM 76 C GLU A 9 3.569 12.893 4.001 1.00 0.00 C ATOM 77 O GLU A 9 3.366 11.679 4.040 1.00 0.00 O ATOM 78 CB GLU A 9 2.579 14.379 5.732 1.00 0.00 C ATOM 79 CG GLU A 9 1.820 13.462 6.694 1.00 0.00 C ATOM 80 CD GLU A 9 2.427 13.572 8.089 1.00 0.00 C ATOM 81 OE1 GLU A 9 3.639 13.672 8.180 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.671 13.555 9.046 1.00 0.00 O ATOM 0 H GLU A 9 4.633 15.637 5.160 1.00 0.00 H new ATOM 0 HA GLU A 9 4.207 13.007 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.819 15.321 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.954 14.619 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.766 13.739 6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.869 12.431 6.345 1.00 0.00 H new ATOM 89 N GLU A 10 3.550 13.596 2.872 1.00 0.00 N ATOM 90 CA GLU A 10 3.282 12.952 1.589 1.00 0.00 C ATOM 91 C GLU A 10 4.388 11.955 1.256 1.00 0.00 C ATOM 92 O GLU A 10 4.145 10.919 0.639 1.00 0.00 O ATOM 93 CB GLU A 10 3.197 13.994 0.474 1.00 0.00 C ATOM 94 CG GLU A 10 2.550 13.367 -0.764 1.00 0.00 C ATOM 95 CD GLU A 10 2.846 14.228 -1.986 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.814 15.440 -1.853 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.101 13.663 -3.037 1.00 0.00 O ATOM 0 H GLU A 10 3.715 14.601 2.818 1.00 0.00 H new ATOM 0 HA GLU A 10 2.329 12.428 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.613 14.852 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.193 14.362 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.933 12.358 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.473 13.280 -0.620 1.00 0.00 H new ATOM 104 N GLN A 11 5.608 12.284 1.671 1.00 0.00 N ATOM 105 CA GLN A 11 6.752 11.413 1.414 1.00 0.00 C ATOM 106 C GLN A 11 6.563 10.068 2.109 1.00 0.00 C ATOM 107 O GLN A 11 7.007 9.031 1.616 1.00 0.00 O ATOM 108 CB GLN A 11 8.043 12.060 1.921 1.00 0.00 C ATOM 109 CG GLN A 11 9.240 11.445 1.196 1.00 0.00 C ATOM 110 CD GLN A 11 9.789 10.281 2.013 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.636 9.062 1.575 1.00 0.00 O flip ATOM 112 NE2 GLN A 11 10.374 10.484 3.077 1.00 0.00 N flip ATOM 0 H GLN A 11 5.830 13.139 2.182 1.00 0.00 H new ATOM 0 HA GLN A 11 6.823 11.259 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.014 13.136 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.139 11.910 2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.940 11.099 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.015 12.197 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.494 11.437 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.739 9.699 3.616 1.00 0.00 H new ATOM 121 N LYS A 12 5.899 10.098 3.261 1.00 0.00 N ATOM 122 CA LYS A 12 5.656 8.875 4.021 1.00 0.00 C ATOM 123 C LYS A 12 4.586 8.027 3.339 1.00 0.00 C ATOM 124 O LYS A 12 4.708 6.805 3.246 1.00 0.00 O ATOM 125 CB LYS A 12 5.196 9.208 5.441 1.00 0.00 C ATOM 126 CG LYS A 12 5.494 8.026 6.365 1.00 0.00 C ATOM 127 CD LYS A 12 6.882 8.197 6.983 1.00 0.00 C ATOM 128 CE LYS A 12 6.781 9.078 8.229 1.00 0.00 C ATOM 129 NZ LYS A 12 7.849 8.696 9.197 1.00 0.00 N ATOM 0 H LYS A 12 5.523 10.946 3.686 1.00 0.00 H new ATOM 0 HA LYS A 12 6.591 8.316 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.707 10.101 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.128 9.427 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.740 7.966 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.447 7.092 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.297 7.224 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.561 8.649 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.883 10.128 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.800 8.963 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.780 9.295 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.732 7.699 9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.781 8.827 8.755 1.00 0.00 H new ATOM 143 N LEU A 13 3.535 8.690 2.863 1.00 0.00 N ATOM 144 CA LEU A 13 2.444 7.989 2.191 1.00 0.00 C ATOM 145 C LEU A 13 2.953 7.292 0.933 1.00 0.00 C ATOM 146 O LEU A 13 2.573 6.162 0.633 1.00 0.00 O ATOM 147 CB LEU A 13 1.335 8.969 1.804 1.00 0.00 C ATOM 148 CG LEU A 13 0.516 9.330 3.045 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.150 10.692 2.839 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.560 8.267 3.271 1.00 0.00 C ATOM 0 H LEU A 13 3.416 9.701 2.929 1.00 0.00 H new ATOM 0 HA LEU A 13 2.046 7.246 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.767 9.869 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.690 8.524 1.046 1.00 0.00 H new ATOM 0 HG LEU A 13 1.173 9.374 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.733 10.949 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.616 11.451 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.807 10.648 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.144 8.523 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.217 8.223 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.087 7.296 3.417 1.00 0.00 H new ATOM 162 N ILE A 14 3.820 7.984 0.198 1.00 0.00 N ATOM 163 CA ILE A 14 4.381 7.429 -1.029 1.00 0.00 C ATOM 164 C ILE A 14 5.307 6.258 -0.709 1.00 0.00 C ATOM 165 O ILE A 14 5.138 5.154 -1.227 1.00 0.00 O ATOM 166 CB ILE A 14 5.169 8.500 -1.792 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.266 9.707 -2.054 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.657 7.933 -3.129 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.122 10.968 -2.182 1.00 0.00 C ATOM 0 H ILE A 14 4.147 8.922 0.429 1.00 0.00 H new ATOM 0 HA ILE A 14 3.556 7.079 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 14 6.028 8.806 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.690 9.552 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.550 9.822 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.216 8.699 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.302 7.074 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.800 7.623 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.478 11.827 -2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.678 11.125 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.820 10.851 -3.011 1.00 0.00 H new ATOM 181 N SER A 15 6.292 6.515 0.146 1.00 0.00 N ATOM 182 CA SER A 15 7.249 5.479 0.527 1.00 0.00 C ATOM 183 C SER A 15 6.536 4.296 1.178 1.00 0.00 C ATOM 184 O SER A 15 6.942 3.145 1.018 1.00 0.00 O ATOM 185 CB SER A 15 8.281 6.038 1.506 1.00 0.00 C ATOM 186 OG SER A 15 7.609 6.686 2.578 1.00 0.00 O ATOM 0 H SER A 15 6.449 7.422 0.585 1.00 0.00 H new ATOM 0 HA SER A 15 7.751 5.141 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.909 5.234 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.939 6.741 0.996 1.00 0.00 H new ATOM 0 HG SER A 15 7.626 7.656 2.436 1.00 0.00 H new ATOM 192 N GLU A 16 5.469 4.594 1.912 1.00 0.00 N ATOM 193 CA GLU A 16 4.703 3.547 2.585 1.00 0.00 C ATOM 194 C GLU A 16 3.859 2.775 1.576 1.00 0.00 C ATOM 195 O GLU A 16 3.777 1.547 1.621 1.00 0.00 O ATOM 196 CB GLU A 16 3.782 4.153 3.645 1.00 0.00 C ATOM 197 CG GLU A 16 3.183 3.034 4.500 1.00 0.00 C ATOM 198 CD GLU A 16 4.060 2.806 5.727 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.241 2.559 5.547 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.537 2.881 6.826 1.00 0.00 O ATOM 0 H GLU A 16 5.117 5.540 2.056 1.00 0.00 H new ATOM 0 HA GLU A 16 5.409 2.869 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.340 4.846 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.987 4.725 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.171 3.299 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.109 2.116 3.917 1.00 0.00 H new ATOM 207 N GLU A 17 3.233 3.511 0.663 1.00 0.00 N ATOM 208 CA GLU A 17 2.394 2.891 -0.359 1.00 0.00 C ATOM 209 C GLU A 17 3.243 2.045 -1.304 1.00 0.00 C ATOM 210 O GLU A 17 2.819 0.982 -1.759 1.00 0.00 O ATOM 211 CB GLU A 17 1.661 3.960 -1.171 1.00 0.00 C ATOM 212 CG GLU A 17 0.630 3.293 -2.084 1.00 0.00 C ATOM 213 CD GLU A 17 0.265 4.243 -3.219 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.017 5.395 -2.934 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.274 3.805 -4.358 1.00 0.00 O ATOM 0 H GLU A 17 3.289 4.528 0.609 1.00 0.00 H new ATOM 0 HA GLU A 17 1.666 2.255 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.167 4.665 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.373 4.531 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.033 2.365 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.261 3.032 -1.514 1.00 0.00 H new ATOM 222 N ASP A 18 4.447 2.529 -1.593 1.00 0.00 N ATOM 223 CA ASP A 18 5.352 1.812 -2.486 1.00 0.00 C ATOM 224 C ASP A 18 5.743 0.468 -1.880 1.00 0.00 C ATOM 225 O ASP A 18 5.883 -0.531 -2.585 1.00 0.00 O ATOM 226 CB ASP A 18 6.619 2.633 -2.737 1.00 0.00 C ATOM 227 CG ASP A 18 7.254 2.198 -4.054 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.869 1.144 -4.072 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.118 2.925 -5.024 1.00 0.00 O ATOM 0 H ASP A 18 4.816 3.406 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 18 4.833 1.648 -3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.376 3.695 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.324 2.494 -1.917 1.00 0.00 H new ATOM 234 N LEU A 19 5.920 0.455 -0.561 1.00 0.00 N ATOM 235 CA LEU A 19 6.295 -0.773 0.135 1.00 0.00 C ATOM 236 C LEU A 19 5.206 -1.828 -0.023 1.00 0.00 C ATOM 237 O LEU A 19 5.487 -2.996 -0.289 1.00 0.00 O ATOM 238 CB LEU A 19 6.513 -0.500 1.625 1.00 0.00 C ATOM 239 CG LEU A 19 7.603 -1.429 2.161 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.956 -0.717 2.105 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.286 -1.803 3.612 1.00 0.00 C ATOM 0 H LEU A 19 5.811 1.271 0.042 1.00 0.00 H new ATOM 0 HA LEU A 19 7.222 -1.139 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.801 0.540 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.584 -0.657 2.174 1.00 0.00 H new ATOM 0 HG LEU A 19 7.642 -2.331 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.732 -1.380 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.184 -0.449 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.918 0.186 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.062 -2.465 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.247 -0.899 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.322 -2.311 3.655 1.00 0.00 H new ATOM 253 N LEU A 20 3.957 -1.401 0.143 1.00 0.00 N ATOM 254 CA LEU A 20 2.827 -2.316 0.015 1.00 0.00 C ATOM 255 C LEU A 20 2.690 -2.800 -1.427 1.00 0.00 C ATOM 256 O LEU A 20 2.248 -3.920 -1.680 1.00 0.00 O ATOM 257 CB LEU A 20 1.528 -1.623 0.434 1.00 0.00 C ATOM 258 CG LEU A 20 1.299 -1.832 1.932 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.486 -0.662 2.492 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.531 -3.137 2.153 1.00 0.00 C ATOM 0 H LEU A 20 3.703 -0.438 0.364 1.00 0.00 H new ATOM 0 HA LEU A 20 3.011 -3.170 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.582 -0.558 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.689 -2.026 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 20 2.261 -1.884 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.323 -0.810 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.031 0.268 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.476 -0.610 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.367 -3.287 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.431 -3.084 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.108 -3.971 1.754 1.00 0.00 H new ATOM 272 N ARG A 21 3.074 -1.939 -2.367 1.00 0.00 N ATOM 273 CA ARG A 21 2.990 -2.286 -3.784 1.00 0.00 C ATOM 274 C ARG A 21 3.863 -3.500 -4.091 1.00 0.00 C ATOM 275 O ARG A 21 3.419 -4.459 -4.720 1.00 0.00 O ATOM 276 CB ARG A 21 3.449 -1.112 -4.650 1.00 0.00 C ATOM 277 CG ARG A 21 2.284 -0.142 -4.856 1.00 0.00 C ATOM 278 CD ARG A 21 2.792 1.128 -5.539 1.00 0.00 C ATOM 279 NE ARG A 21 1.678 2.026 -5.853 1.00 0.00 N ATOM 280 CZ ARG A 21 1.795 3.025 -6.739 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.926 3.250 -7.366 1.00 0.00 N ATOM 282 NH2 ARG A 21 0.768 3.793 -6.978 1.00 0.00 N ATOM 0 H ARG A 21 3.442 -1.007 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 21 1.950 -2.521 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.283 -0.598 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.808 -1.475 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.510 -0.610 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.829 0.105 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.504 1.637 -4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.325 0.867 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 21 0.784 1.886 -5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.737 2.659 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.994 4.016 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.114 3.631 -6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.847 4.556 -7.650 1.00 0.00 H new ATOM 296 N LYS A 22 5.112 -3.446 -3.639 1.00 0.00 N ATOM 297 CA LYS A 22 6.044 -4.546 -3.870 1.00 0.00 C ATOM 298 C LYS A 22 5.540 -5.820 -3.199 1.00 0.00 C ATOM 299 O LYS A 22 5.601 -6.907 -3.773 1.00 0.00 O ATOM 300 CB LYS A 22 7.428 -4.203 -3.313 1.00 0.00 C ATOM 301 CG LYS A 22 8.504 -4.869 -4.174 1.00 0.00 C ATOM 302 CD LYS A 22 9.774 -4.017 -4.156 1.00 0.00 C ATOM 303 CE LYS A 22 10.711 -4.518 -3.054 1.00 0.00 C ATOM 304 NZ LYS A 22 11.921 -3.651 -2.999 1.00 0.00 N ATOM 0 H LYS A 22 5.500 -2.661 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 22 6.116 -4.705 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.571 -3.122 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.511 -4.543 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.719 -5.869 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.146 -4.985 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.273 -4.069 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.520 -2.971 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.198 -4.506 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.999 -5.551 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.558 -3.991 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.414 -3.684 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.637 -2.672 -2.794 1.00 0.00 H new ATOM 318 N ARG A 23 5.041 -5.672 -1.974 1.00 0.00 N ATOM 319 CA ARG A 23 4.526 -6.818 -1.230 1.00 0.00 C ATOM 320 C ARG A 23 3.281 -7.378 -1.907 1.00 0.00 C ATOM 321 O ARG A 23 3.022 -8.580 -1.869 1.00 0.00 O ATOM 322 CB ARG A 23 4.175 -6.411 0.204 1.00 0.00 C ATOM 323 CG ARG A 23 3.868 -7.663 1.028 1.00 0.00 C ATOM 324 CD ARG A 23 5.153 -8.167 1.689 1.00 0.00 C ATOM 325 NE ARG A 23 4.843 -9.080 2.793 1.00 0.00 N ATOM 326 CZ ARG A 23 4.279 -8.653 3.932 1.00 0.00 C ATOM 327 NH1 ARG A 23 3.979 -7.389 4.112 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.027 -9.512 4.883 1.00 0.00 N ATOM 0 H ARG A 23 4.983 -4.781 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 23 5.302 -7.583 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.004 -5.862 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.314 -5.743 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.120 -7.437 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.447 -8.439 0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.772 -8.677 0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.732 -7.322 2.061 1.00 0.00 H new ATOM 0 HE ARG A 23 5.063 -10.071 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.174 -6.709 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.550 -7.086 4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.259 -10.497 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.598 -9.198 5.754 1.00 0.00 H new ATOM 342 N ARG A 24 2.510 -6.490 -2.529 1.00 0.00 N ATOM 343 CA ARG A 24 1.288 -6.902 -3.214 1.00 0.00 C ATOM 344 C ARG A 24 1.619 -7.807 -4.398 1.00 0.00 C ATOM 345 O ARG A 24 1.143 -8.938 -4.484 1.00 0.00 O ATOM 346 CB ARG A 24 0.519 -5.681 -3.721 1.00 0.00 C ATOM 347 CG ARG A 24 -0.882 -6.105 -4.163 1.00 0.00 C ATOM 348 CD ARG A 24 -1.480 -5.029 -5.071 1.00 0.00 C ATOM 349 NE ARG A 24 -2.888 -5.318 -5.357 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.723 -4.387 -5.838 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.314 -3.164 -6.078 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.967 -4.704 -6.074 1.00 0.00 N ATOM 0 H ARG A 24 2.707 -5.490 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 24 0.671 -7.448 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.451 -4.929 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.052 -5.224 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.835 -7.057 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.519 -6.256 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.393 -4.053 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.917 -4.978 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.244 -6.258 -5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.344 -2.906 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.966 -2.471 -6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.295 -5.653 -5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.611 -4.003 -6.440 1.00 0.00 H new ATOM 366 N GLU A 25 2.439 -7.292 -5.310 1.00 0.00 N ATOM 367 CA GLU A 25 2.827 -8.060 -6.491 1.00 0.00 C ATOM 368 C GLU A 25 3.565 -9.333 -6.085 1.00 0.00 C ATOM 369 O GLU A 25 3.481 -10.359 -6.761 1.00 0.00 O ATOM 370 CB GLU A 25 3.731 -7.224 -7.404 1.00 0.00 C ATOM 371 CG GLU A 25 4.944 -6.726 -6.613 1.00 0.00 C ATOM 372 CD GLU A 25 5.926 -6.051 -7.564 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.542 -5.075 -8.187 1.00 0.00 O ATOM 374 OE2 GLU A 25 7.049 -6.521 -7.656 1.00 0.00 O ATOM 0 H GLU A 25 2.844 -6.357 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 25 1.918 -8.327 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.060 -7.823 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.175 -6.378 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.626 -6.024 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.428 -7.560 -6.105 1.00 0.00 H new ATOM 381 N GLN A 26 4.293 -9.255 -4.974 1.00 0.00 N ATOM 382 CA GLN A 26 5.044 -10.407 -4.485 1.00 0.00 C ATOM 383 C GLN A 26 4.103 -11.428 -3.855 1.00 0.00 C ATOM 384 O GLN A 26 4.336 -12.634 -3.922 1.00 0.00 O ATOM 385 CB GLN A 26 6.077 -9.970 -3.445 1.00 0.00 C ATOM 386 CG GLN A 26 7.349 -9.501 -4.154 1.00 0.00 C ATOM 387 CD GLN A 26 8.165 -10.713 -4.592 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.615 -11.793 -4.806 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.455 -10.596 -4.739 1.00 0.00 N ATOM 0 H GLN A 26 4.378 -8.416 -4.401 1.00 0.00 H new ATOM 0 HA GLN A 26 5.555 -10.861 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.672 -9.165 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.306 -10.798 -2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.091 -8.891 -5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.940 -8.874 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.909 -9.700 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.010 -11.400 -5.032 1.00 0.00 H new ATOM 398 N LEU A 27 3.033 -10.930 -3.240 1.00 0.00 N ATOM 399 CA LEU A 27 2.059 -11.805 -2.598 1.00 0.00 C ATOM 400 C LEU A 27 1.289 -12.605 -3.645 1.00 0.00 C ATOM 401 O LEU A 27 0.898 -13.748 -3.411 1.00 0.00 O ATOM 402 CB LEU A 27 1.067 -10.986 -1.770 1.00 0.00 C ATOM 403 CG LEU A 27 1.617 -10.798 -0.355 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.993 -9.550 0.274 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.268 -12.023 0.494 1.00 0.00 C ATOM 0 H LEU A 27 2.821 -9.935 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 27 2.601 -12.488 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.900 -10.016 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.103 -11.493 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 27 2.700 -10.681 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.385 -9.416 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.239 -8.677 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.090 -9.667 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.659 -11.890 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.185 -12.139 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.711 -12.913 0.047 1.00 0.00 H new ATOM 417 N LYS A 28 1.078 -11.988 -4.805 1.00 0.00 N ATOM 418 CA LYS A 28 0.354 -12.648 -5.886 1.00 0.00 C ATOM 419 C LYS A 28 1.256 -13.651 -6.597 1.00 0.00 C ATOM 420 O LYS A 28 0.800 -14.688 -7.078 1.00 0.00 O ATOM 421 CB LYS A 28 -0.145 -11.619 -6.904 1.00 0.00 C ATOM 422 CG LYS A 28 -1.467 -12.097 -7.510 1.00 0.00 C ATOM 423 CD LYS A 28 -1.186 -12.880 -8.793 1.00 0.00 C ATOM 424 CE LYS A 28 -0.878 -11.905 -9.930 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.015 -10.954 -10.089 1.00 0.00 N ATOM 0 H LYS A 28 1.394 -11.042 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.498 -13.170 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.283 -10.652 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.598 -11.480 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.000 -12.726 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.110 -11.244 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.344 -13.556 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.047 -13.496 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.040 -11.358 -9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.715 -12.452 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.081 -10.655 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.900 -11.421 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.857 -10.121 -9.487 1.00 0.00 H new ATOM 439 N HIS A 29 2.545 -13.330 -6.658 1.00 0.00 N ATOM 440 CA HIS A 29 3.510 -14.210 -7.314 1.00 0.00 C ATOM 441 C HIS A 29 3.647 -15.518 -6.540 1.00 0.00 C ATOM 442 O HIS A 29 3.767 -16.594 -7.126 1.00 0.00 O ATOM 443 CB HIS A 29 4.880 -13.534 -7.398 1.00 0.00 C ATOM 444 CG HIS A 29 4.873 -12.522 -8.509 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.341 -11.232 -8.579 1.00 0.00 N flip ATOM 446 CD2 HIS A 29 4.327 -12.793 -9.756 1.00 0.00 C flip ATOM 447 CE1 HIS A 29 5.092 -10.711 -9.846 1.00 0.00 C flip ATOM 448 NE2 HIS A 29 4.480 -11.692 -10.513 1.00 0.00 N flip ATOM 0 H HIS A 29 2.944 -12.477 -6.266 1.00 0.00 H new ATOM 0 HA HIS A 29 3.147 -14.419 -8.320 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.116 -13.048 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.655 -14.280 -7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.864 -13.719 -10.063 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.341 -9.725 -10.211 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.166 -11.616 -11.481 1.00 0.00 H new ATOM 647 N LYS B 9 -4.168 15.213 -2.629 1.00 0.00 N ATOM 648 CA LYS B 9 -3.062 14.270 -2.774 1.00 0.00 C ATOM 649 C LYS B 9 -3.105 13.227 -1.662 1.00 0.00 C ATOM 650 O LYS B 9 -2.945 12.031 -1.904 1.00 0.00 O ATOM 651 CB LYS B 9 -1.720 15.002 -2.716 1.00 0.00 C ATOM 652 CG LYS B 9 -1.480 15.731 -4.040 1.00 0.00 C ATOM 653 CD LYS B 9 -0.853 14.765 -5.049 1.00 0.00 C ATOM 654 CE LYS B 9 -0.343 15.550 -6.257 1.00 0.00 C ATOM 655 NZ LYS B 9 0.806 14.825 -6.872 1.00 0.00 N ATOM 0 HA LYS B 9 -3.165 13.778 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.717 15.714 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.914 14.292 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.421 16.120 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.823 16.586 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.032 14.219 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.589 14.026 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.142 15.673 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.034 16.549 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.153 15.359 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.570 14.729 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.497 13.880 -7.178 1.00 0.00 H new ATOM 669 N ASN B 10 -3.322 13.694 -0.435 1.00 0.00 N ATOM 670 CA ASN B 10 -3.385 12.795 0.713 1.00 0.00 C ATOM 671 C ASN B 10 -4.606 11.886 0.614 1.00 0.00 C ATOM 672 O ASN B 10 -4.585 10.743 1.073 1.00 0.00 O ATOM 673 CB ASN B 10 -3.463 13.595 2.015 1.00 0.00 C ATOM 674 CG ASN B 10 -2.082 14.142 2.360 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.080 13.439 2.238 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.969 15.369 2.788 1.00 0.00 N ATOM 0 H ASN B 10 -3.456 14.680 -0.212 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.480 12.187 0.714 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.174 14.414 1.909 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.827 12.960 2.823 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -1.050 15.745 3.021 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.800 15.952 2.889 1.00 0.00 H new ATOM 683 N ASP B 11 -5.673 12.405 0.009 1.00 0.00 N ATOM 684 CA ASP B 11 -6.902 11.631 -0.146 1.00 0.00 C ATOM 685 C ASP B 11 -6.641 10.374 -0.972 1.00 0.00 C ATOM 686 O ASP B 11 -6.908 9.258 -0.530 1.00 0.00 O ATOM 687 CB ASP B 11 -7.978 12.469 -0.839 1.00 0.00 C ATOM 688 CG ASP B 11 -9.311 11.731 -0.788 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.658 11.246 0.277 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.966 11.659 -1.815 1.00 0.00 O ATOM 0 H ASP B 11 -5.712 13.348 -0.378 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.248 11.346 0.848 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.069 13.439 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.695 12.659 -1.874 1.00 0.00 H new ATOM 695 N THR B 12 -6.116 10.573 -2.178 1.00 0.00 N ATOM 696 CA THR B 12 -5.819 9.450 -3.063 1.00 0.00 C ATOM 697 C THR B 12 -4.785 8.528 -2.426 1.00 0.00 C ATOM 698 O THR B 12 -4.806 7.313 -2.627 1.00 0.00 O ATOM 699 CB THR B 12 -5.286 9.953 -4.408 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.937 8.840 -5.221 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.051 10.830 -4.186 1.00 0.00 C ATOM 0 H THR B 12 -5.889 11.490 -2.562 1.00 0.00 H new ATOM 0 HA THR B 12 -6.744 8.896 -3.227 1.00 0.00 H new ATOM 0 HB THR B 12 -6.058 10.543 -4.903 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.597 9.159 -6.083 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.678 11.184 -5.147 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.318 11.684 -3.564 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.276 10.247 -3.688 1.00 0.00 H new ATOM 709 N HIS B 13 -3.878 9.120 -1.655 1.00 0.00 N ATOM 710 CA HIS B 13 -2.834 8.348 -0.987 1.00 0.00 C ATOM 711 C HIS B 13 -3.448 7.362 -0.002 1.00 0.00 C ATOM 712 O HIS B 13 -3.177 6.162 -0.048 1.00 0.00 O ATOM 713 CB HIS B 13 -1.880 9.276 -0.234 1.00 0.00 C ATOM 714 CG HIS B 13 -0.807 9.763 -1.169 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.072 8.898 -1.965 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.333 11.022 -1.444 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.797 9.642 -2.675 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.680 10.943 -2.396 1.00 0.00 N ATOM 0 H HIS B 13 -3.844 10.124 -1.478 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.280 7.801 -1.750 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.429 10.123 0.178 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.431 8.748 0.607 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.691 11.935 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.503 9.236 -3.384 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.217 11.713 -2.795 1.00 0.00 H new ATOM 726 N GLN B 14 -4.279 7.887 0.894 1.00 0.00 N ATOM 727 CA GLN B 14 -4.934 7.052 1.901 1.00 0.00 C ATOM 728 C GLN B 14 -5.763 5.953 1.240 1.00 0.00 C ATOM 729 O GLN B 14 -5.921 4.861 1.786 1.00 0.00 O ATOM 730 CB GLN B 14 -5.851 7.903 2.783 1.00 0.00 C ATOM 731 CG GLN B 14 -6.143 7.157 4.086 1.00 0.00 C ATOM 732 CD GLN B 14 -7.435 6.359 3.943 1.00 0.00 C ATOM 733 OE1 GLN B 14 -8.301 6.704 3.138 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.618 5.300 4.683 1.00 0.00 N ATOM 0 H GLN B 14 -4.515 8.878 0.945 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.155 6.596 2.512 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.379 8.861 2.998 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.782 8.117 2.258 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.316 6.489 4.327 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -6.231 7.865 4.910 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.901 5.014 5.350 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -8.478 4.758 4.595 1.00 0.00 H new ATOM 743 N GLN B 15 -6.291 6.255 0.056 1.00 0.00 N ATOM 744 CA GLN B 15 -7.103 5.285 -0.673 1.00 0.00 C ATOM 745 C GLN B 15 -6.232 4.145 -1.195 1.00 0.00 C ATOM 746 O GLN B 15 -6.597 2.974 -1.100 1.00 0.00 O ATOM 747 CB GLN B 15 -7.808 5.955 -1.852 1.00 0.00 C ATOM 748 CG GLN B 15 -9.011 6.751 -1.344 1.00 0.00 C ATOM 749 CD GLN B 15 -9.788 7.315 -2.528 1.00 0.00 C ATOM 750 OE1 GLN B 15 -9.783 6.735 -3.614 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.463 8.423 -2.382 1.00 0.00 N ATOM 0 H GLN B 15 -6.173 7.152 -0.414 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.848 4.886 0.015 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.116 6.616 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.134 5.202 -2.570 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.657 6.110 -0.744 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.676 7.561 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.467 8.903 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -10.987 8.809 -3.168 1.00 0.00 H new ATOM 760 N ASP B 16 -5.078 4.504 -1.748 1.00 0.00 N ATOM 761 CA ASP B 16 -4.159 3.502 -2.287 1.00 0.00 C ATOM 762 C ASP B 16 -3.676 2.569 -1.181 1.00 0.00 C ATOM 763 O ASP B 16 -3.676 1.348 -1.335 1.00 0.00 O ATOM 764 CB ASP B 16 -2.948 4.178 -2.933 1.00 0.00 C ATOM 765 CG ASP B 16 -2.453 3.331 -4.101 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.317 2.133 -3.921 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.218 3.893 -5.157 1.00 0.00 O ATOM 0 H ASP B 16 -4.758 5.468 -1.835 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.697 2.925 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.218 5.175 -3.282 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.153 4.302 -2.198 1.00 0.00 H new ATOM 772 N ILE B 17 -3.262 3.159 -0.063 1.00 0.00 N ATOM 773 CA ILE B 17 -2.773 2.375 1.072 1.00 0.00 C ATOM 774 C ILE B 17 -3.853 1.404 1.556 1.00 0.00 C ATOM 775 O ILE B 17 -3.744 0.190 1.385 1.00 0.00 O ATOM 776 CB ILE B 17 -2.349 3.325 2.224 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.922 3.814 1.965 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.394 2.617 3.596 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.963 5.140 1.204 1.00 0.00 C ATOM 0 H ILE B 17 -3.254 4.168 0.083 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.907 1.795 0.753 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.049 4.160 2.250 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.394 3.942 2.910 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.371 3.070 1.390 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.090 3.315 4.376 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.408 2.271 3.794 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.715 1.764 3.588 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.054 5.486 1.021 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.475 4.998 0.252 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.498 5.883 1.796 1.00 0.00 H new ATOM 791 N ASP B 18 -4.878 1.964 2.195 1.00 0.00 N ATOM 792 CA ASP B 18 -5.969 1.164 2.750 1.00 0.00 C ATOM 793 C ASP B 18 -6.467 0.108 1.754 1.00 0.00 C ATOM 794 O ASP B 18 -6.950 -0.954 2.147 1.00 0.00 O ATOM 795 CB ASP B 18 -7.139 2.070 3.144 1.00 0.00 C ATOM 796 CG ASP B 18 -6.999 2.477 4.608 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.080 3.222 4.910 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.813 2.041 5.404 1.00 0.00 O ATOM 0 H ASP B 18 -4.976 2.969 2.342 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.579 0.651 3.629 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.156 2.956 2.509 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.084 1.549 2.989 1.00 0.00 H new ATOM 803 N ASP B 19 -6.341 0.413 0.465 1.00 0.00 N ATOM 804 CA ASP B 19 -6.779 -0.518 -0.572 1.00 0.00 C ATOM 805 C ASP B 19 -5.761 -1.641 -0.743 1.00 0.00 C ATOM 806 O ASP B 19 -6.119 -2.792 -0.994 1.00 0.00 O ATOM 807 CB ASP B 19 -6.954 0.209 -1.908 1.00 0.00 C ATOM 808 CG ASP B 19 -7.605 -0.729 -2.919 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.879 -1.457 -3.575 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.819 -0.705 -3.024 1.00 0.00 O ATOM 0 H ASP B 19 -5.945 1.286 0.116 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.736 -0.940 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.570 1.098 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.986 0.546 -2.280 1.00 0.00 H new ATOM 815 N LEU B 20 -4.485 -1.292 -0.604 1.00 0.00 N ATOM 816 CA LEU B 20 -3.416 -2.278 -0.743 1.00 0.00 C ATOM 817 C LEU B 20 -3.398 -3.220 0.457 1.00 0.00 C ATOM 818 O LEU B 20 -3.193 -4.425 0.316 1.00 0.00 O ATOM 819 CB LEU B 20 -2.056 -1.583 -0.848 1.00 0.00 C ATOM 820 CG LEU B 20 -1.934 -0.898 -2.209 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.816 0.144 -2.158 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.606 -1.944 -3.276 1.00 0.00 C ATOM 0 H LEU B 20 -4.168 -0.345 -0.398 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.604 -2.850 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.949 -0.849 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.254 -2.310 -0.722 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.876 -0.408 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.729 0.632 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.047 0.889 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.127 -0.345 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.519 -1.458 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.664 -2.433 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.402 -2.688 -3.313 1.00 0.00 H new ATOM 834 N LYS B 21 -3.615 -2.653 1.641 1.00 0.00 N ATOM 835 CA LYS B 21 -3.622 -3.447 2.867 1.00 0.00 C ATOM 836 C LYS B 21 -4.733 -4.493 2.820 1.00 0.00 C ATOM 837 O LYS B 21 -4.534 -5.647 3.200 1.00 0.00 O ATOM 838 CB LYS B 21 -3.836 -2.549 4.086 1.00 0.00 C ATOM 839 CG LYS B 21 -2.486 -2.004 4.562 1.00 0.00 C ATOM 840 CD LYS B 21 -1.924 -2.915 5.656 1.00 0.00 C ATOM 841 CE LYS B 21 -0.590 -2.354 6.151 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.840 -1.132 6.969 1.00 0.00 N ATOM 0 H LYS B 21 -3.787 -1.657 1.778 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.656 -3.946 2.949 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.503 -1.726 3.832 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.315 -3.112 4.886 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.789 -1.949 3.726 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.606 -0.990 4.944 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.630 -2.986 6.483 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.785 -3.924 5.268 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.066 -3.102 6.746 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.053 -2.113 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.021 -0.886 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.100 -0.343 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.616 -1.314 7.637 1.00 0.00 H new ATOM 856 N ARG B 22 -5.904 -4.074 2.349 1.00 0.00 N ATOM 857 CA ARG B 22 -7.043 -4.983 2.254 1.00 0.00 C ATOM 858 C ARG B 22 -6.731 -6.133 1.301 1.00 0.00 C ATOM 859 O ARG B 22 -7.173 -7.263 1.505 1.00 0.00 O ATOM 860 CB ARG B 22 -8.281 -4.239 1.747 1.00 0.00 C ATOM 861 CG ARG B 22 -9.532 -5.062 2.054 1.00 0.00 C ATOM 862 CD ARG B 22 -9.875 -4.941 3.539 1.00 0.00 C ATOM 863 NE ARG B 22 -10.803 -3.829 3.767 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.236 -3.502 4.993 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.844 -4.168 6.054 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.063 -2.502 5.135 1.00 0.00 N ATOM 0 H ARG B 22 -6.089 -3.123 2.031 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.239 -5.380 3.250 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.351 -3.261 2.223 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.201 -4.067 0.674 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.368 -4.712 1.448 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.365 -6.107 1.793 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.321 -5.871 3.892 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.964 -4.785 4.116 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.130 -3.287 2.967 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.198 -4.951 5.955 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.186 -3.903 6.978 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.374 -1.977 4.317 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.398 -2.245 6.064 1.00 0.00 H new ATOM 880 N GLN B 23 -5.964 -5.830 0.259 1.00 0.00 N ATOM 881 CA GLN B 23 -5.593 -6.846 -0.723 1.00 0.00 C ATOM 882 C GLN B 23 -4.515 -7.765 -0.157 1.00 0.00 C ATOM 883 O GLN B 23 -4.659 -8.988 -0.154 1.00 0.00 O ATOM 884 CB GLN B 23 -5.071 -6.190 -2.003 1.00 0.00 C ATOM 885 CG GLN B 23 -6.231 -5.972 -2.978 1.00 0.00 C ATOM 886 CD GLN B 23 -6.300 -7.138 -3.959 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.511 -6.940 -5.155 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.134 -8.356 -3.519 1.00 0.00 N ATOM 0 H GLN B 23 -5.590 -4.900 0.072 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.483 -7.431 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.596 -5.237 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.310 -6.821 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.169 -5.889 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.094 -5.036 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.959 -8.521 -2.528 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.179 -9.143 -4.167 1.00 0.00 H new ATOM 897 N ASN B 24 -3.430 -7.160 0.322 1.00 0.00 N ATOM 898 CA ASN B 24 -2.327 -7.931 0.890 1.00 0.00 C ATOM 899 C ASN B 24 -2.802 -8.730 2.100 1.00 0.00 C ATOM 900 O ASN B 24 -2.309 -9.824 2.373 1.00 0.00 O ATOM 901 CB ASN B 24 -1.192 -7.001 1.320 1.00 0.00 C ATOM 902 CG ASN B 24 -0.695 -6.207 0.116 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.416 -6.040 -0.868 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.509 -5.703 0.136 1.00 0.00 N ATOM 0 H ASN B 24 -3.292 -6.149 0.329 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.964 -8.616 0.123 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.540 -6.321 2.098 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.375 -7.582 1.747 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.852 -5.171 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.106 -5.841 0.951 1.00 0.00 H new ATOM 911 N ALA B 25 -3.766 -8.169 2.824 1.00 0.00 N ATOM 912 CA ALA B 25 -4.304 -8.837 4.006 1.00 0.00 C ATOM 913 C ALA B 25 -5.009 -10.131 3.611 1.00 0.00 C ATOM 914 O ALA B 25 -4.859 -11.161 4.266 1.00 0.00 O ATOM 915 CB ALA B 25 -5.300 -7.928 4.729 1.00 0.00 C ATOM 0 H ALA B 25 -4.187 -7.263 2.617 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.472 -9.064 4.672 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.691 -8.442 5.607 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.798 -7.012 5.039 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.122 -7.682 4.057 1.00 0.00 H new ATOM 921 N LEU B 26 -5.782 -10.064 2.532 1.00 0.00 N ATOM 922 CA LEU B 26 -6.509 -11.236 2.052 1.00 0.00 C ATOM 923 C LEU B 26 -5.537 -12.288 1.530 1.00 0.00 C ATOM 924 O LEU B 26 -5.640 -13.469 1.862 1.00 0.00 O ATOM 925 CB LEU B 26 -7.475 -10.847 0.930 1.00 0.00 C ATOM 926 CG LEU B 26 -8.612 -11.867 0.858 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.653 -11.550 1.933 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.268 -11.800 -0.523 1.00 0.00 C ATOM 0 H LEU B 26 -5.921 -9.220 1.977 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.074 -11.647 2.889 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.877 -9.850 1.112 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -6.946 -10.808 -0.022 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.213 -12.868 1.024 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.463 -12.278 1.881 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.186 -11.597 2.917 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.053 -10.549 1.768 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.079 -12.526 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.666 -10.799 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.527 -12.027 -1.289 1.00 0.00 H new ATOM 940 N LEU B 27 -4.590 -11.844 0.707 1.00 0.00 N ATOM 941 CA LEU B 27 -3.598 -12.756 0.142 1.00 0.00 C ATOM 942 C LEU B 27 -2.760 -13.383 1.251 1.00 0.00 C ATOM 943 O LEU B 27 -2.560 -14.596 1.288 1.00 0.00 O ATOM 944 CB LEU B 27 -2.674 -12.009 -0.822 1.00 0.00 C ATOM 945 CG LEU B 27 -3.332 -11.927 -2.199 1.00 0.00 C ATOM 946 CD1 LEU B 27 -4.244 -10.700 -2.258 1.00 0.00 C ATOM 947 CD2 LEU B 27 -2.248 -11.807 -3.274 1.00 0.00 C ATOM 0 H LEU B 27 -4.488 -10.871 0.419 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.128 -13.540 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.470 -11.007 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.715 -12.523 -0.895 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.922 -12.827 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.713 -10.642 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.015 -10.783 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.655 -9.800 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.715 -11.748 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -1.659 -10.907 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -1.597 -12.680 -3.233 1.00 0.00 H new ATOM 959 N GLU B 28 -2.275 -12.539 2.158 1.00 0.00 N ATOM 960 CA GLU B 28 -1.457 -13.013 3.275 1.00 0.00 C ATOM 961 C GLU B 28 -2.237 -14.023 4.116 1.00 0.00 C ATOM 962 O GLU B 28 -1.708 -15.064 4.508 1.00 0.00 O ATOM 963 CB GLU B 28 -1.037 -11.837 4.160 1.00 0.00 C ATOM 964 CG GLU B 28 -0.072 -12.324 5.246 1.00 0.00 C ATOM 965 CD GLU B 28 0.975 -11.249 5.519 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.600 -10.093 5.609 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.139 -11.601 5.634 1.00 0.00 O ATOM 0 H GLU B 28 -2.431 -11.531 2.144 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.569 -13.495 2.867 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.559 -11.067 3.555 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.916 -11.383 4.618 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.621 -12.551 6.160 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.414 -13.247 4.928 1.00 0.00 H new ATOM 974 N GLN B 29 -3.500 -13.702 4.387 1.00 0.00 N ATOM 975 CA GLN B 29 -4.355 -14.585 5.183 1.00 0.00 C ATOM 976 C GLN B 29 -4.421 -15.978 4.561 1.00 0.00 C ATOM 977 O GLN B 29 -4.514 -16.985 5.262 1.00 0.00 O ATOM 978 CB GLN B 29 -5.771 -14.014 5.277 1.00 0.00 C ATOM 979 CG GLN B 29 -6.540 -14.734 6.386 1.00 0.00 C ATOM 980 CD GLN B 29 -8.035 -14.499 6.207 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.770 -15.403 5.810 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.536 -13.323 6.477 1.00 0.00 N ATOM 0 H GLN B 29 -3.953 -12.845 4.071 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.923 -14.657 6.181 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.730 -12.945 5.484 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.287 -14.135 4.325 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.324 -15.802 6.358 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.218 -14.369 7.361 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.928 -12.573 6.806 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.535 -13.155 6.359 1.00 0.00 H new ATOM 991 N GLN B 30 -4.364 -16.021 3.232 1.00 0.00 N ATOM 992 CA GLN B 30 -4.408 -17.293 2.518 1.00 0.00 C ATOM 993 C GLN B 30 -3.014 -17.911 2.461 1.00 0.00 C ATOM 994 O GLN B 30 -2.855 -19.131 2.507 1.00 0.00 O ATOM 995 CB GLN B 30 -4.924 -17.092 1.092 1.00 0.00 C ATOM 996 CG GLN B 30 -6.398 -16.684 1.135 1.00 0.00 C ATOM 997 CD GLN B 30 -6.926 -16.532 -0.288 1.00 0.00 C ATOM 998 OE1 GLN B 30 -7.102 -15.416 -0.776 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.191 -17.599 -0.989 1.00 0.00 N ATOM 0 H GLN B 30 -4.288 -15.199 2.633 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.084 -17.960 3.053 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.338 -16.324 0.587 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.807 -18.012 0.519 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.979 -17.435 1.671 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.511 -15.746 1.678 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.045 -18.524 -0.585 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -7.544 -17.509 -1.942 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.006 -17.049 2.366 1.00 0.00 N ATOM 1009 CA VAL B 31 -0.621 -17.507 2.307 1.00 0.00 C ATOM 1010 C VAL B 31 -0.189 -18.050 3.668 1.00 0.00 C ATOM 1011 O VAL B 31 0.610 -18.984 3.754 1.00 0.00 O ATOM 1012 CB VAL B 31 0.302 -16.349 1.902 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.741 -16.855 1.755 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.170 -15.759 0.566 1.00 0.00 C ATOM 0 H VAL B 31 -2.120 -16.036 2.328 1.00 0.00 H new ATOM 0 HA VAL B 31 -0.549 -18.301 1.563 1.00 0.00 H new ATOM 0 HB VAL B 31 0.269 -15.580 2.674 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.390 -16.028 1.467 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.080 -17.269 2.705 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.778 -17.629 0.988 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.486 -14.937 0.279 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.142 -16.531 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.190 -15.389 0.672 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.728 -17.455 4.728 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.394 -17.885 6.083 1.00 0.00 C ATOM 1026 C ARG B 32 -0.875 -19.314 6.322 1.00 0.00 C ATOM 1027 O ARG B 32 -0.200 -20.110 6.974 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.046 -16.962 7.114 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.181 -16.912 8.375 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.673 -17.963 9.373 1.00 0.00 C ATOM 1031 NE ARG B 32 0.429 -18.427 10.218 1.00 0.00 N ATOM 1032 CZ ARG B 32 0.218 -19.075 11.374 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.997 -19.324 11.802 1.00 0.00 N ATOM 1034 NH2 ARG B 32 1.240 -19.466 12.085 1.00 0.00 N ATOM 0 H ARG B 32 -1.391 -16.682 4.677 1.00 0.00 H new ATOM 0 HA ARG B 32 0.690 -17.842 6.192 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.161 -15.960 6.700 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.045 -17.322 7.360 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.863 -17.097 8.121 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.229 -15.919 8.823 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.462 -17.540 9.995 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.107 -18.807 8.836 1.00 0.00 H new ATOM 0 HE ARG B 32 1.388 -18.252 9.918 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -1.803 -19.024 11.253 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.136 -19.818 12.684 1.00 0.00 H new ATOM 0 HH21 ARG B 32 2.189 -19.278 11.761 1.00 0.00 H new ATOM 0 HH22 ARG B 32 1.090 -19.959 12.965 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.050 -19.626 5.784 1.00 0.00 N ATOM 1049 CA ALA B 33 -2.618 -20.962 5.943 1.00 0.00 C ATOM 1050 C ALA B 33 -1.819 -21.981 5.133 1.00 0.00 C ATOM 1051 O ALA B 33 -1.611 -23.114 5.566 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.074 -20.986 5.472 1.00 0.00 C ATOM 0 H ALA B 33 -2.623 -18.981 5.240 1.00 0.00 H new ATOM 0 HA ALA B 33 -2.574 -21.221 7.001 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -4.481 -21.989 5.598 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.659 -20.281 6.062 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.121 -20.705 4.420 1.00 0.00 H new ATOM 1058 N LEU B 34 -1.373 -21.560 3.954 1.00 0.00 N ATOM 1059 CA LEU B 34 -0.595 -22.441 3.086 1.00 0.00 C ATOM 1060 C LEU B 34 0.859 -22.490 3.545 1.00 0.00 C ATOM 1061 O LEU B 34 1.544 -23.497 3.365 1.00 0.00 O ATOM 1062 CB LEU B 34 -0.644 -21.946 1.639 1.00 0.00 C ATOM 1063 CG LEU B 34 -2.001 -22.295 1.026 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -2.381 -21.234 -0.009 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -1.917 -23.664 0.346 1.00 0.00 C ATOM 0 H LEU B 34 -1.534 -20.625 3.579 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.029 -23.439 3.143 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.485 -20.868 1.607 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.157 -22.404 1.059 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.757 -22.325 1.810 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.348 -21.482 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.441 -20.259 0.475 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.625 -21.204 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -2.884 -23.913 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -1.161 -23.635 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.646 -24.420 1.083 1.00 0.00 H new