USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0.552 (180deg=0.552) USER MOD Single : A 15 SER OG : rot 117:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0705) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -1.79 F(o=-2.6,f=-1.8) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -2.11 K(o=-2.1,f=-10!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-2) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : B 24 ASN : amide:sc= -2.08 K(o=-2.1,f=-9.8!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 5.325 17.942 0.356 1.00 0.00 N ATOM 48 CA GLN A 7 6.298 16.894 0.061 1.00 0.00 C ATOM 49 C GLN A 7 6.569 16.053 1.303 1.00 0.00 C ATOM 50 O GLN A 7 6.834 14.854 1.214 1.00 0.00 O ATOM 51 CB GLN A 7 7.613 17.505 -0.426 1.00 0.00 C ATOM 52 CG GLN A 7 8.271 16.567 -1.442 1.00 0.00 C ATOM 53 CD GLN A 7 7.885 16.991 -2.855 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.655 17.350 -3.105 1.00 0.00 O flip ATOM 55 NE2 GLN A 7 8.723 17.000 -3.757 1.00 0.00 N flip ATOM 0 HA GLN A 7 5.882 16.260 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.427 18.478 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.283 17.671 0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.355 16.593 -1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.956 15.539 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.684 16.720 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.456 17.288 -4.698 1.00 0.00 H new ATOM 64 N ALA A 8 6.501 16.695 2.466 1.00 0.00 N ATOM 65 CA ALA A 8 6.742 15.998 3.726 1.00 0.00 C ATOM 66 C ALA A 8 5.642 14.973 3.984 1.00 0.00 C ATOM 67 O ALA A 8 5.913 13.799 4.240 1.00 0.00 O ATOM 68 CB ALA A 8 6.782 16.990 4.889 1.00 0.00 C ATOM 0 H ALA A 8 6.283 17.687 2.562 1.00 0.00 H new ATOM 0 HA ALA A 8 7.704 15.490 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.963 16.452 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.583 17.711 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.829 17.515 4.952 1.00 0.00 H new ATOM 74 N GLU A 9 4.396 15.431 3.913 1.00 0.00 N ATOM 75 CA GLU A 9 3.253 14.547 4.140 1.00 0.00 C ATOM 76 C GLU A 9 3.232 13.429 3.103 1.00 0.00 C ATOM 77 O GLU A 9 2.805 12.309 3.385 1.00 0.00 O ATOM 78 CB GLU A 9 1.942 15.332 4.053 1.00 0.00 C ATOM 79 CG GLU A 9 1.624 15.946 5.418 1.00 0.00 C ATOM 80 CD GLU A 9 2.496 17.178 5.637 1.00 0.00 C ATOM 81 OE1 GLU A 9 2.218 18.192 5.021 1.00 0.00 O ATOM 82 OE2 GLU A 9 3.427 17.087 6.419 1.00 0.00 O ATOM 0 H GLU A 9 4.151 16.399 3.702 1.00 0.00 H new ATOM 0 HA GLU A 9 3.352 14.118 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.024 16.116 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.131 14.674 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.570 16.220 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.802 15.216 6.208 1.00 0.00 H new ATOM 89 N GLU A 10 3.695 13.747 1.898 1.00 0.00 N ATOM 90 CA GLU A 10 3.725 12.760 0.820 1.00 0.00 C ATOM 91 C GLU A 10 4.946 11.854 0.956 1.00 0.00 C ATOM 92 O GLU A 10 4.913 10.687 0.573 1.00 0.00 O ATOM 93 CB GLU A 10 3.772 13.459 -0.541 1.00 0.00 C ATOM 94 CG GLU A 10 2.345 13.709 -1.034 1.00 0.00 C ATOM 95 CD GLU A 10 2.340 13.789 -2.557 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.548 12.764 -3.186 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.130 14.875 -3.072 1.00 0.00 O ATOM 0 H GLU A 10 4.051 14.668 1.643 1.00 0.00 H new ATOM 0 HA GLU A 10 2.819 12.158 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.311 14.403 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.314 12.844 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.687 12.907 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.959 14.636 -0.609 1.00 0.00 H new ATOM 104 N GLN A 11 6.025 12.406 1.506 1.00 0.00 N ATOM 105 CA GLN A 11 7.256 11.636 1.686 1.00 0.00 C ATOM 106 C GLN A 11 7.005 10.417 2.571 1.00 0.00 C ATOM 107 O GLN A 11 7.610 9.361 2.383 1.00 0.00 O ATOM 108 CB GLN A 11 8.338 12.503 2.333 1.00 0.00 C ATOM 109 CG GLN A 11 9.110 13.254 1.245 1.00 0.00 C ATOM 110 CD GLN A 11 10.336 12.443 0.837 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.420 11.961 -0.291 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.299 12.263 1.697 1.00 0.00 N ATOM 0 H GLN A 11 6.074 13.371 1.832 1.00 0.00 H new ATOM 0 HA GLN A 11 7.590 11.306 0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.885 13.211 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.019 11.880 2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.468 13.423 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.415 14.234 1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.229 12.663 2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.123 11.722 1.434 1.00 0.00 H new ATOM 121 N LYS A 12 6.105 10.575 3.536 1.00 0.00 N ATOM 122 CA LYS A 12 5.781 9.479 4.447 1.00 0.00 C ATOM 123 C LYS A 12 4.658 8.610 3.881 1.00 0.00 C ATOM 124 O LYS A 12 4.555 7.426 4.201 1.00 0.00 O ATOM 125 CB LYS A 12 5.354 10.023 5.814 1.00 0.00 C ATOM 126 CG LYS A 12 4.214 11.029 5.638 1.00 0.00 C ATOM 127 CD LYS A 12 3.331 11.022 6.887 1.00 0.00 C ATOM 128 CE LYS A 12 2.608 12.365 7.010 1.00 0.00 C ATOM 129 NZ LYS A 12 1.556 12.461 5.959 1.00 0.00 N ATOM 0 H LYS A 12 5.592 11.439 3.708 1.00 0.00 H new ATOM 0 HA LYS A 12 6.678 8.871 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.033 9.204 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.201 10.501 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.618 12.027 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.622 10.774 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.605 10.211 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.939 10.842 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.159 12.459 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.319 13.184 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.064 13.374 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.996 12.389 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.872 11.687 6.081 1.00 0.00 H new ATOM 143 N LEU A 13 3.816 9.207 3.037 1.00 0.00 N ATOM 144 CA LEU A 13 2.705 8.469 2.439 1.00 0.00 C ATOM 145 C LEU A 13 3.188 7.644 1.249 1.00 0.00 C ATOM 146 O LEU A 13 2.758 6.510 1.046 1.00 0.00 O ATOM 147 CB LEU A 13 1.615 9.431 1.967 1.00 0.00 C ATOM 148 CG LEU A 13 0.743 9.841 3.157 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.027 11.116 2.811 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.245 8.716 3.472 1.00 0.00 C ATOM 0 H LEU A 13 3.880 10.185 2.755 1.00 0.00 H new ATOM 0 HA LEU A 13 2.298 7.804 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.066 10.313 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.003 8.955 1.201 1.00 0.00 H new ATOM 0 HG LEU A 13 1.375 10.025 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.648 11.408 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.677 11.916 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.661 10.934 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.867 9.005 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.877 8.533 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.305 7.808 3.719 1.00 0.00 H new ATOM 162 N ILE A 14 4.089 8.229 0.467 1.00 0.00 N ATOM 163 CA ILE A 14 4.631 7.546 -0.705 1.00 0.00 C ATOM 164 C ILE A 14 5.624 6.470 -0.276 1.00 0.00 C ATOM 165 O ILE A 14 5.746 5.425 -0.916 1.00 0.00 O ATOM 166 CB ILE A 14 5.346 8.549 -1.620 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.344 9.610 -2.078 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.922 7.832 -2.846 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.091 10.774 -2.731 1.00 0.00 C ATOM 0 H ILE A 14 4.458 9.167 0.620 1.00 0.00 H new ATOM 0 HA ILE A 14 3.804 7.085 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 14 6.162 9.017 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.637 9.176 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.764 9.968 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.427 8.555 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.635 7.074 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.114 7.356 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.375 11.529 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.780 11.214 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.651 10.410 -3.592 1.00 0.00 H new ATOM 181 N SER A 15 6.343 6.747 0.798 1.00 0.00 N ATOM 182 CA SER A 15 7.337 5.803 1.289 1.00 0.00 C ATOM 183 C SER A 15 6.667 4.581 1.915 1.00 0.00 C ATOM 184 O SER A 15 7.082 3.445 1.687 1.00 0.00 O ATOM 185 CB SER A 15 8.240 6.465 2.330 1.00 0.00 C ATOM 186 OG SER A 15 9.139 7.351 1.677 1.00 0.00 O ATOM 0 H SER A 15 6.261 7.606 1.342 1.00 0.00 H new ATOM 0 HA SER A 15 7.937 5.485 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.638 7.010 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.795 5.706 2.882 1.00 0.00 H new ATOM 0 HG SER A 15 8.968 8.269 1.975 1.00 0.00 H new ATOM 192 N GLU A 16 5.632 4.826 2.714 1.00 0.00 N ATOM 193 CA GLU A 16 4.922 3.731 3.376 1.00 0.00 C ATOM 194 C GLU A 16 4.165 2.872 2.363 1.00 0.00 C ATOM 195 O GLU A 16 4.211 1.642 2.420 1.00 0.00 O ATOM 196 CB GLU A 16 3.937 4.273 4.423 1.00 0.00 C ATOM 197 CG GLU A 16 2.891 5.171 3.755 1.00 0.00 C ATOM 198 CD GLU A 16 2.118 5.934 4.827 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.737 6.355 5.790 1.00 0.00 O ATOM 200 OE2 GLU A 16 0.919 6.086 4.668 1.00 0.00 O ATOM 0 H GLU A 16 5.269 5.757 2.918 1.00 0.00 H new ATOM 0 HA GLU A 16 5.669 3.112 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.444 3.444 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.478 4.837 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.377 5.870 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.207 4.569 3.157 1.00 0.00 H new ATOM 207 N GLU A 17 3.467 3.525 1.437 1.00 0.00 N ATOM 208 CA GLU A 17 2.707 2.796 0.423 1.00 0.00 C ATOM 209 C GLU A 17 3.646 2.014 -0.492 1.00 0.00 C ATOM 210 O GLU A 17 3.295 0.950 -1.001 1.00 0.00 O ATOM 211 CB GLU A 17 1.855 3.753 -0.419 1.00 0.00 C ATOM 212 CG GLU A 17 2.749 4.795 -1.094 1.00 0.00 C ATOM 213 CD GLU A 17 3.200 4.277 -2.454 1.00 0.00 C ATOM 214 OE1 GLU A 17 2.340 3.982 -3.269 1.00 0.00 O ATOM 215 OE2 GLU A 17 4.398 4.182 -2.663 1.00 0.00 O ATOM 0 H GLU A 17 3.411 4.541 1.367 1.00 0.00 H new ATOM 0 HA GLU A 17 2.047 2.100 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.302 3.193 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.118 4.249 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.206 5.733 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.616 5.005 -0.468 1.00 0.00 H new ATOM 222 N ASP A 18 4.846 2.553 -0.692 1.00 0.00 N ATOM 223 CA ASP A 18 5.831 1.893 -1.545 1.00 0.00 C ATOM 224 C ASP A 18 6.222 0.544 -0.951 1.00 0.00 C ATOM 225 O ASP A 18 6.414 -0.436 -1.672 1.00 0.00 O ATOM 226 CB ASP A 18 7.086 2.758 -1.686 1.00 0.00 C ATOM 227 CG ASP A 18 8.003 2.156 -2.745 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.696 2.295 -3.917 1.00 0.00 O ATOM 229 OD2 ASP A 18 9.001 1.564 -2.367 1.00 0.00 O ATOM 0 H ASP A 18 5.157 3.433 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 18 5.383 1.745 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.810 3.775 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.607 2.819 -0.731 1.00 0.00 H new ATOM 234 N LEU A 19 6.332 0.505 0.374 1.00 0.00 N ATOM 235 CA LEU A 19 6.698 -0.730 1.063 1.00 0.00 C ATOM 236 C LEU A 19 5.612 -1.785 0.862 1.00 0.00 C ATOM 237 O LEU A 19 5.895 -2.924 0.487 1.00 0.00 O ATOM 238 CB LEU A 19 6.883 -0.471 2.567 1.00 0.00 C ATOM 239 CG LEU A 19 8.377 -0.342 2.911 1.00 0.00 C ATOM 240 CD1 LEU A 19 9.105 -1.644 2.570 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.997 0.815 2.118 1.00 0.00 C ATOM 0 H LEU A 19 6.175 1.305 0.987 1.00 0.00 H new ATOM 0 HA LEU A 19 7.637 -1.091 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.358 0.441 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.441 -1.286 3.140 1.00 0.00 H new ATOM 0 HG LEU A 19 8.478 -0.142 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.162 -1.545 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.674 -2.463 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.998 -1.852 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.055 0.901 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.889 0.623 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.488 1.745 2.373 1.00 0.00 H new ATOM 253 N LEU A 20 4.368 -1.390 1.115 1.00 0.00 N ATOM 254 CA LEU A 20 3.243 -2.308 0.958 1.00 0.00 C ATOM 255 C LEU A 20 3.125 -2.757 -0.494 1.00 0.00 C ATOM 256 O LEU A 20 2.728 -3.887 -0.780 1.00 0.00 O ATOM 257 CB LEU A 20 1.936 -1.631 1.380 1.00 0.00 C ATOM 258 CG LEU A 20 1.679 -1.898 2.864 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.812 -0.779 3.442 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.954 -3.237 3.021 1.00 0.00 C ATOM 0 H LEU A 20 4.114 -0.452 1.426 1.00 0.00 H new ATOM 0 HA LEU A 20 3.422 -3.175 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.994 -0.558 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.108 -2.011 0.782 1.00 0.00 H new ATOM 0 HG LEU A 20 2.629 -1.932 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.629 -0.970 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.327 0.175 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.139 -0.744 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.770 -3.429 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.004 -3.201 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.571 -4.035 2.609 1.00 0.00 H new ATOM 272 N ARG A 21 3.479 -1.859 -1.409 1.00 0.00 N ATOM 273 CA ARG A 21 3.415 -2.169 -2.834 1.00 0.00 C ATOM 274 C ARG A 21 4.359 -3.321 -3.167 1.00 0.00 C ATOM 275 O ARG A 21 4.059 -4.164 -4.012 1.00 0.00 O ATOM 276 CB ARG A 21 3.802 -0.941 -3.667 1.00 0.00 C ATOM 277 CG ARG A 21 2.536 -0.186 -4.103 1.00 0.00 C ATOM 278 CD ARG A 21 2.685 1.313 -3.813 1.00 0.00 C ATOM 279 NE ARG A 21 2.835 2.071 -5.059 1.00 0.00 N ATOM 280 CZ ARG A 21 4.011 2.180 -5.695 1.00 0.00 C ATOM 281 NH1 ARG A 21 5.096 1.611 -5.227 1.00 0.00 N ATOM 282 NH2 ARG A 21 4.078 2.868 -6.803 1.00 0.00 N ATOM 0 H ARG A 21 3.810 -0.919 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 21 2.392 -2.458 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.446 -0.283 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.372 -1.250 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.360 -0.342 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.668 -0.581 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.812 1.671 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.552 1.480 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 21 2.016 2.532 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.057 1.072 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.979 1.708 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.241 3.316 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.967 2.957 -7.295 1.00 0.00 H new ATOM 296 N LYS A 22 5.502 -3.349 -2.486 1.00 0.00 N ATOM 297 CA LYS A 22 6.486 -4.403 -2.712 1.00 0.00 C ATOM 298 C LYS A 22 5.943 -5.742 -2.225 1.00 0.00 C ATOM 299 O LYS A 22 6.229 -6.791 -2.804 1.00 0.00 O ATOM 300 CB LYS A 22 7.786 -4.091 -1.967 1.00 0.00 C ATOM 301 CG LYS A 22 8.711 -3.278 -2.873 1.00 0.00 C ATOM 302 CD LYS A 22 9.993 -2.929 -2.115 1.00 0.00 C ATOM 303 CE LYS A 22 10.896 -4.163 -2.041 1.00 0.00 C ATOM 304 NZ LYS A 22 11.604 -4.338 -3.340 1.00 0.00 N ATOM 0 H LYS A 22 5.768 -2.662 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 22 6.687 -4.456 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.570 -3.533 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.276 -5.017 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.951 -3.848 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.209 -2.367 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.514 -2.114 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.751 -2.582 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.619 -4.050 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.302 -5.049 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.654 -5.350 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.086 -3.834 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.567 -3.952 -3.265 1.00 0.00 H new ATOM 318 N ARG A 23 5.154 -5.693 -1.156 1.00 0.00 N ATOM 319 CA ARG A 23 4.570 -6.908 -0.597 1.00 0.00 C ATOM 320 C ARG A 23 3.350 -7.333 -1.408 1.00 0.00 C ATOM 321 O ARG A 23 3.082 -8.523 -1.578 1.00 0.00 O ATOM 322 CB ARG A 23 4.145 -6.680 0.857 1.00 0.00 C ATOM 323 CG ARG A 23 3.756 -8.018 1.490 1.00 0.00 C ATOM 324 CD ARG A 23 2.756 -7.775 2.622 1.00 0.00 C ATOM 325 NE ARG A 23 2.721 -8.920 3.534 1.00 0.00 N ATOM 326 CZ ARG A 23 1.812 -9.022 4.514 1.00 0.00 C ATOM 327 NH1 ARG A 23 0.904 -8.095 4.701 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.829 -10.068 5.297 1.00 0.00 N ATOM 0 H ARG A 23 4.906 -4.835 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 23 5.326 -7.692 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.960 -6.223 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.304 -5.988 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.318 -8.674 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.643 -8.522 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.032 -6.874 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.763 -7.604 2.207 1.00 0.00 H new ATOM 0 HE ARG A 23 3.410 -9.663 3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.880 -7.275 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.222 -8.193 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.529 -10.797 5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.142 -10.156 6.046 1.00 0.00 H new ATOM 342 N ARG A 24 2.614 -6.344 -1.909 1.00 0.00 N ATOM 343 CA ARG A 24 1.422 -6.621 -2.705 1.00 0.00 C ATOM 344 C ARG A 24 1.796 -7.383 -3.971 1.00 0.00 C ATOM 345 O ARG A 24 1.155 -8.372 -4.333 1.00 0.00 O ATOM 346 CB ARG A 24 0.723 -5.317 -3.097 1.00 0.00 C ATOM 347 CG ARG A 24 -0.629 -5.635 -3.740 1.00 0.00 C ATOM 348 CD ARG A 24 -1.057 -4.469 -4.632 1.00 0.00 C ATOM 349 NE ARG A 24 -2.514 -4.322 -4.625 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.121 -3.202 -5.043 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.430 -2.176 -5.481 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.425 -3.130 -5.014 1.00 0.00 N ATOM 0 H ARG A 24 2.819 -5.353 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 24 0.746 -7.226 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.580 -4.690 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.345 -4.754 -3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.558 -6.550 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.378 -5.810 -2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.591 -3.547 -4.283 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.708 -4.636 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.086 -5.098 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.411 -2.221 -5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.912 -1.333 -5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.972 -3.922 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.896 -2.282 -5.330 1.00 0.00 H new ATOM 366 N GLU A 25 2.843 -6.913 -4.643 1.00 0.00 N ATOM 367 CA GLU A 25 3.300 -7.556 -5.872 1.00 0.00 C ATOM 368 C GLU A 25 3.845 -8.948 -5.571 1.00 0.00 C ATOM 369 O GLU A 25 3.654 -9.886 -6.346 1.00 0.00 O ATOM 370 CB GLU A 25 4.398 -6.723 -6.536 1.00 0.00 C ATOM 371 CG GLU A 25 3.764 -5.562 -7.305 1.00 0.00 C ATOM 372 CD GLU A 25 4.638 -5.207 -8.503 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.420 -5.780 -9.558 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.510 -4.368 -8.348 1.00 0.00 O ATOM 0 H GLU A 25 3.387 -6.097 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 25 2.449 -7.636 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.086 -6.341 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.982 -7.346 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.764 -5.837 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.655 -4.696 -6.652 1.00 0.00 H new ATOM 381 N GLN A 26 4.527 -9.072 -4.436 1.00 0.00 N ATOM 382 CA GLN A 26 5.101 -10.355 -4.038 1.00 0.00 C ATOM 383 C GLN A 26 4.004 -11.401 -3.860 1.00 0.00 C ATOM 384 O GLN A 26 4.092 -12.510 -4.388 1.00 0.00 O ATOM 385 CB GLN A 26 5.871 -10.212 -2.724 1.00 0.00 C ATOM 386 CG GLN A 26 6.993 -11.251 -2.672 1.00 0.00 C ATOM 387 CD GLN A 26 7.695 -11.177 -1.320 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.682 -10.137 -0.663 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.311 -12.232 -0.861 1.00 0.00 N ATOM 0 H GLN A 26 4.695 -8.308 -3.781 1.00 0.00 H new ATOM 0 HA GLN A 26 5.783 -10.676 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.287 -9.208 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.196 -10.348 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.585 -12.250 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.708 -11.070 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.321 -13.094 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.782 -12.195 0.043 1.00 0.00 H new ATOM 398 N LEU A 27 2.968 -11.035 -3.110 1.00 0.00 N ATOM 399 CA LEU A 27 1.855 -11.949 -2.867 1.00 0.00 C ATOM 400 C LEU A 27 1.166 -12.309 -4.180 1.00 0.00 C ATOM 401 O LEU A 27 0.977 -13.482 -4.500 1.00 0.00 O ATOM 402 CB LEU A 27 0.832 -11.311 -1.925 1.00 0.00 C ATOM 403 CG LEU A 27 1.466 -11.104 -0.548 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.603 -10.142 0.270 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.559 -12.448 0.177 1.00 0.00 C ATOM 0 H LEU A 27 2.875 -10.122 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 27 2.256 -12.852 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.495 -10.356 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.048 -11.949 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 27 2.465 -10.685 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.054 -9.994 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.536 -9.185 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.396 -10.561 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.011 -12.302 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.560 -12.867 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.173 -13.134 -0.406 1.00 0.00 H new ATOM 417 N LYS A 28 0.793 -11.281 -4.938 1.00 0.00 N ATOM 418 CA LYS A 28 0.125 -11.493 -6.219 1.00 0.00 C ATOM 419 C LYS A 28 1.038 -12.253 -7.175 1.00 0.00 C ATOM 420 O LYS A 28 0.579 -13.045 -7.997 1.00 0.00 O ATOM 421 CB LYS A 28 -0.255 -10.153 -6.853 1.00 0.00 C ATOM 422 CG LYS A 28 -1.140 -10.398 -8.077 1.00 0.00 C ATOM 423 CD LYS A 28 -0.860 -9.328 -9.133 1.00 0.00 C ATOM 424 CE LYS A 28 -1.844 -9.484 -10.294 1.00 0.00 C ATOM 425 NZ LYS A 28 -1.193 -9.047 -11.561 1.00 0.00 N ATOM 0 H LYS A 28 0.940 -10.302 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.777 -12.076 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.782 -9.533 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.644 -9.609 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.945 -11.389 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.191 -10.374 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.955 -8.335 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.164 -9.420 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.163 -10.523 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.738 -8.889 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.862 -9.153 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.909 -8.050 -11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.352 -9.633 -11.739 1.00 0.00 H new ATOM 439 N HIS A 29 2.339 -12.002 -7.057 1.00 0.00 N ATOM 440 CA HIS A 29 3.318 -12.665 -7.915 1.00 0.00 C ATOM 441 C HIS A 29 3.277 -14.176 -7.701 1.00 0.00 C ATOM 442 O HIS A 29 3.317 -14.954 -8.654 1.00 0.00 O ATOM 443 CB HIS A 29 4.730 -12.158 -7.612 1.00 0.00 C ATOM 444 CG HIS A 29 5.040 -10.975 -8.490 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.646 -9.771 -8.227 1.00 0.00 N flip ATOM 446 CD2 HIS A 29 4.716 -10.949 -9.837 1.00 0.00 C flip ATOM 447 CE1 HIS A 29 5.699 -9.008 -9.389 1.00 0.00 C flip ATOM 448 NE2 HIS A 29 5.125 -9.765 -10.330 1.00 0.00 N flip ATOM 0 H HIS A 29 2.738 -11.350 -6.382 1.00 0.00 H new ATOM 0 HA HIS A 29 3.066 -12.436 -8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.808 -11.875 -6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.457 -12.952 -7.784 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.225 -11.736 -10.391 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.114 -8.018 -9.506 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.011 -9.480 -11.303 1.00 0.00 H new ATOM 647 N LYS B 9 -4.750 14.877 -2.572 1.00 0.00 N ATOM 648 CA LYS B 9 -3.575 14.039 -2.793 1.00 0.00 C ATOM 649 C LYS B 9 -3.331 13.136 -1.588 1.00 0.00 C ATOM 650 O LYS B 9 -3.148 11.926 -1.726 1.00 0.00 O ATOM 651 CB LYS B 9 -2.335 14.904 -3.025 1.00 0.00 C ATOM 652 CG LYS B 9 -2.343 15.429 -4.462 1.00 0.00 C ATOM 653 CD LYS B 9 -1.916 14.313 -5.418 1.00 0.00 C ATOM 654 CE LYS B 9 -0.390 14.220 -5.446 1.00 0.00 C ATOM 655 NZ LYS B 9 0.141 15.082 -6.539 1.00 0.00 N ATOM 0 HA LYS B 9 -3.760 13.427 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.322 15.737 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.432 14.321 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -3.339 15.785 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.666 16.279 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -2.343 13.363 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.297 14.512 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.022 14.535 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.081 13.186 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.179 15.019 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.242 14.761 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.143 16.069 -6.372 1.00 0.00 H new ATOM 669 N ASN B 10 -3.331 13.738 -0.401 1.00 0.00 N ATOM 670 CA ASN B 10 -3.108 12.981 0.828 1.00 0.00 C ATOM 671 C ASN B 10 -4.231 11.971 1.042 1.00 0.00 C ATOM 672 O ASN B 10 -4.011 10.879 1.566 1.00 0.00 O ATOM 673 CB ASN B 10 -3.048 13.922 2.032 1.00 0.00 C ATOM 674 CG ASN B 10 -1.616 14.402 2.233 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.819 13.742 2.899 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.239 15.527 1.691 1.00 0.00 N ATOM 0 H ASN B 10 -3.481 14.738 -0.264 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.159 12.454 0.732 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.709 14.774 1.874 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.399 13.408 2.927 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.283 15.860 1.819 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.900 16.074 1.139 1.00 0.00 H new ATOM 683 N ASP B 11 -5.438 12.349 0.630 1.00 0.00 N ATOM 684 CA ASP B 11 -6.594 11.471 0.781 1.00 0.00 C ATOM 685 C ASP B 11 -6.433 10.226 -0.087 1.00 0.00 C ATOM 686 O ASP B 11 -6.889 9.140 0.269 1.00 0.00 O ATOM 687 CB ASP B 11 -7.877 12.198 0.375 1.00 0.00 C ATOM 688 CG ASP B 11 -8.449 12.930 1.583 1.00 0.00 C ATOM 689 OD1 ASP B 11 -7.672 13.505 2.327 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.658 12.906 1.748 1.00 0.00 O ATOM 0 H ASP B 11 -5.640 13.248 0.193 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.660 11.179 1.829 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.669 12.906 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.606 11.485 -0.010 1.00 0.00 H new ATOM 695 N THR B 12 -5.778 10.398 -1.232 1.00 0.00 N ATOM 696 CA THR B 12 -5.561 9.281 -2.149 1.00 0.00 C ATOM 697 C THR B 12 -4.555 8.298 -1.562 1.00 0.00 C ATOM 698 O THR B 12 -4.659 7.087 -1.763 1.00 0.00 O ATOM 699 CB THR B 12 -5.037 9.788 -3.495 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.864 10.849 -3.954 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.054 8.648 -4.514 1.00 0.00 C ATOM 0 H THR B 12 -5.392 11.289 -1.545 1.00 0.00 H new ATOM 0 HA THR B 12 -6.516 8.777 -2.298 1.00 0.00 H new ATOM 0 HB THR B 12 -4.015 10.149 -3.375 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.529 11.176 -4.815 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.681 9.011 -5.472 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.419 7.835 -4.161 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.074 8.285 -4.636 1.00 0.00 H new ATOM 709 N HIS B 13 -3.578 8.830 -0.835 1.00 0.00 N ATOM 710 CA HIS B 13 -2.553 7.990 -0.221 1.00 0.00 C ATOM 711 C HIS B 13 -3.161 7.124 0.877 1.00 0.00 C ATOM 712 O HIS B 13 -2.756 5.979 1.082 1.00 0.00 O ATOM 713 CB HIS B 13 -1.443 8.853 0.383 1.00 0.00 C ATOM 714 CG HIS B 13 -0.532 9.338 -0.711 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.301 8.480 -1.412 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.312 10.588 -1.235 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.979 9.219 -2.310 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.644 10.510 -2.244 1.00 0.00 N ATOM 0 H HIS B 13 -3.473 9.829 -0.657 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.133 7.351 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.875 9.701 0.913 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.876 8.276 1.114 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.805 11.493 -0.913 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.706 8.817 -3.000 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.010 11.275 -2.811 1.00 0.00 H new ATOM 726 N GLN B 14 -4.138 7.686 1.583 1.00 0.00 N ATOM 727 CA GLN B 14 -4.799 6.957 2.663 1.00 0.00 C ATOM 728 C GLN B 14 -5.561 5.758 2.108 1.00 0.00 C ATOM 729 O GLN B 14 -5.458 4.646 2.628 1.00 0.00 O ATOM 730 CB GLN B 14 -5.778 7.871 3.403 1.00 0.00 C ATOM 731 CG GLN B 14 -5.907 7.410 4.856 1.00 0.00 C ATOM 732 CD GLN B 14 -6.531 8.524 5.690 1.00 0.00 C ATOM 733 OE1 GLN B 14 -5.907 9.033 6.621 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.736 8.938 5.410 1.00 0.00 N ATOM 0 H GLN B 14 -4.487 8.632 1.430 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.031 6.611 3.355 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.427 8.902 3.367 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.753 7.849 2.915 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.523 6.512 4.910 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.927 7.149 5.254 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -8.254 8.517 4.639 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -8.161 9.683 5.962 1.00 0.00 H new ATOM 743 N GLN B 15 -6.329 5.997 1.049 1.00 0.00 N ATOM 744 CA GLN B 15 -7.107 4.927 0.429 1.00 0.00 C ATOM 745 C GLN B 15 -6.182 3.866 -0.157 1.00 0.00 C ATOM 746 O GLN B 15 -6.448 2.669 -0.060 1.00 0.00 O ATOM 747 CB GLN B 15 -7.993 5.487 -0.685 1.00 0.00 C ATOM 748 CG GLN B 15 -9.098 6.353 -0.074 1.00 0.00 C ATOM 749 CD GLN B 15 -10.361 6.240 -0.921 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.452 6.029 -0.393 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.276 6.370 -2.217 1.00 0.00 N ATOM 0 H GLN B 15 -6.430 6.910 0.606 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.733 4.477 1.199 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.394 6.079 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.432 4.671 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.303 6.032 0.947 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.774 7.392 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.371 6.545 -2.654 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.115 6.297 -2.793 1.00 0.00 H new ATOM 760 N ASP B 16 -5.087 4.319 -0.765 1.00 0.00 N ATOM 761 CA ASP B 16 -4.123 3.399 -1.365 1.00 0.00 C ATOM 762 C ASP B 16 -3.559 2.451 -0.309 1.00 0.00 C ATOM 763 O ASP B 16 -3.359 1.265 -0.563 1.00 0.00 O ATOM 764 CB ASP B 16 -2.968 4.175 -2.005 1.00 0.00 C ATOM 765 CG ASP B 16 -2.387 3.362 -3.158 1.00 0.00 C ATOM 766 OD1 ASP B 16 -1.999 2.230 -2.921 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.336 3.886 -4.258 1.00 0.00 O ATOM 0 H ASP B 16 -4.847 5.306 -0.855 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.642 2.822 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.321 5.140 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.196 4.377 -1.263 1.00 0.00 H new ATOM 772 N ILE B 17 -3.314 2.993 0.878 1.00 0.00 N ATOM 773 CA ILE B 17 -2.779 2.194 1.977 1.00 0.00 C ATOM 774 C ILE B 17 -3.773 1.094 2.353 1.00 0.00 C ATOM 775 O ILE B 17 -3.572 -0.082 2.047 1.00 0.00 O ATOM 776 CB ILE B 17 -2.497 3.101 3.204 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.161 3.833 3.005 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.446 2.285 4.515 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.008 2.824 2.900 1.00 0.00 C ATOM 0 H ILE B 17 -3.475 3.974 1.105 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.844 1.732 1.659 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.312 3.820 3.285 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.204 4.442 2.102 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.983 4.512 3.839 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.247 2.954 5.352 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.402 1.785 4.670 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.653 1.540 4.449 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.931 3.358 2.759 1.00 0.00 H new ATOM 0 HD12 ILE B 17 0.044 2.234 3.815 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.180 2.162 2.051 1.00 0.00 H new ATOM 791 N ASP B 18 -4.832 1.498 3.053 1.00 0.00 N ATOM 792 CA ASP B 18 -5.852 0.562 3.519 1.00 0.00 C ATOM 793 C ASP B 18 -6.277 -0.412 2.412 1.00 0.00 C ATOM 794 O ASP B 18 -6.659 -1.550 2.681 1.00 0.00 O ATOM 795 CB ASP B 18 -7.085 1.327 4.015 1.00 0.00 C ATOM 796 CG ASP B 18 -7.006 1.504 5.528 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.027 2.066 5.989 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.928 1.075 6.202 1.00 0.00 O ATOM 0 H ASP B 18 -5.006 2.470 3.310 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.416 -0.013 4.336 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.141 2.300 3.528 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.992 0.785 3.750 1.00 0.00 H new ATOM 803 N ASP B 19 -6.198 0.051 1.168 1.00 0.00 N ATOM 804 CA ASP B 19 -6.571 -0.788 0.032 1.00 0.00 C ATOM 805 C ASP B 19 -5.511 -1.861 -0.201 1.00 0.00 C ATOM 806 O ASP B 19 -5.827 -3.007 -0.520 1.00 0.00 O ATOM 807 CB ASP B 19 -6.718 0.057 -1.236 1.00 0.00 C ATOM 808 CG ASP B 19 -7.296 -0.801 -2.358 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.683 -1.802 -2.688 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.343 -0.442 -2.870 1.00 0.00 O ATOM 0 H ASP B 19 -5.884 0.990 0.922 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.526 -1.261 0.259 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.370 0.909 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.749 0.457 -1.533 1.00 0.00 H new ATOM 815 N LEU B 20 -4.250 -1.474 -0.033 1.00 0.00 N ATOM 816 CA LEU B 20 -3.144 -2.408 -0.222 1.00 0.00 C ATOM 817 C LEU B 20 -3.219 -3.529 0.808 1.00 0.00 C ATOM 818 O LEU B 20 -2.904 -4.683 0.518 1.00 0.00 O ATOM 819 CB LEU B 20 -1.803 -1.687 -0.076 1.00 0.00 C ATOM 820 CG LEU B 20 -1.492 -0.921 -1.363 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.379 0.094 -1.098 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.038 -1.904 -2.444 1.00 0.00 C ATOM 0 H LEU B 20 -3.970 -0.530 0.231 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.222 -2.827 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.838 -1.000 0.769 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.012 -2.407 0.131 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.387 -0.398 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.158 0.639 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.701 0.795 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.517 -0.428 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -0.816 -1.359 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.143 -2.427 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.831 -2.627 -2.634 1.00 0.00 H new ATOM 834 N LYS B 21 -3.642 -3.173 2.019 1.00 0.00 N ATOM 835 CA LYS B 21 -3.758 -4.154 3.096 1.00 0.00 C ATOM 836 C LYS B 21 -4.927 -5.098 2.834 1.00 0.00 C ATOM 837 O LYS B 21 -4.890 -6.272 3.203 1.00 0.00 O ATOM 838 CB LYS B 21 -3.977 -3.450 4.436 1.00 0.00 C ATOM 839 CG LYS B 21 -2.824 -2.481 4.700 1.00 0.00 C ATOM 840 CD LYS B 21 -2.750 -2.168 6.196 1.00 0.00 C ATOM 841 CE LYS B 21 -1.978 -3.278 6.913 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.206 -2.693 8.046 1.00 0.00 N ATOM 0 H LYS B 21 -3.908 -2.223 2.278 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.831 -4.726 3.132 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.924 -2.910 4.424 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.039 -4.185 5.239 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.884 -2.918 4.362 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.971 -1.562 4.133 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.258 -1.208 6.353 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.754 -2.083 6.611 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -2.669 -4.036 7.282 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.302 -3.775 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.681 -3.446 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.537 -1.985 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.861 -2.239 8.714 1.00 0.00 H new ATOM 856 N ARG B 22 -5.967 -4.571 2.192 1.00 0.00 N ATOM 857 CA ARG B 22 -7.146 -5.372 1.884 1.00 0.00 C ATOM 858 C ARG B 22 -6.780 -6.534 0.965 1.00 0.00 C ATOM 859 O ARG B 22 -7.052 -7.695 1.269 1.00 0.00 O ATOM 860 CB ARG B 22 -8.210 -4.512 1.199 1.00 0.00 C ATOM 861 CG ARG B 22 -8.992 -3.728 2.254 1.00 0.00 C ATOM 862 CD ARG B 22 -10.431 -3.527 1.780 1.00 0.00 C ATOM 863 NE ARG B 22 -10.959 -2.247 2.260 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.229 -2.028 3.556 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.031 -2.959 4.459 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.699 -0.868 3.925 1.00 0.00 N ATOM 0 H ARG B 22 -6.017 -3.602 1.878 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.541 -5.763 2.822 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.740 -3.825 0.495 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.887 -5.143 0.624 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.982 -4.265 3.202 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.518 -2.762 2.430 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.468 -3.556 0.691 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -11.056 -4.343 2.142 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.127 -1.499 1.587 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.665 -3.870 4.181 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.243 -2.772 5.439 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.858 -0.138 3.231 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.908 -0.691 4.908 1.00 0.00 H new ATOM 880 N GLN B 23 -6.158 -6.206 -0.164 1.00 0.00 N ATOM 881 CA GLN B 23 -5.757 -7.230 -1.126 1.00 0.00 C ATOM 882 C GLN B 23 -4.694 -8.141 -0.521 1.00 0.00 C ATOM 883 O GLN B 23 -4.754 -9.364 -0.652 1.00 0.00 O ATOM 884 CB GLN B 23 -5.197 -6.584 -2.394 1.00 0.00 C ATOM 885 CG GLN B 23 -6.344 -6.277 -3.360 1.00 0.00 C ATOM 886 CD GLN B 23 -6.632 -7.507 -4.213 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.688 -8.128 -4.084 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.750 -7.901 -5.089 1.00 0.00 N ATOM 0 H GLN B 23 -5.922 -5.251 -0.434 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.639 -7.818 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.664 -5.667 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.477 -7.252 -2.868 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.236 -5.990 -2.803 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.081 -5.433 -3.997 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.875 -7.388 -5.198 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -5.935 -8.722 -5.666 1.00 0.00 H new ATOM 897 N ASN B 24 -3.717 -7.531 0.146 1.00 0.00 N ATOM 898 CA ASN B 24 -2.640 -8.294 0.769 1.00 0.00 C ATOM 899 C ASN B 24 -3.193 -9.199 1.866 1.00 0.00 C ATOM 900 O ASN B 24 -2.680 -10.291 2.107 1.00 0.00 O ATOM 901 CB ASN B 24 -1.599 -7.352 1.378 1.00 0.00 C ATOM 902 CG ASN B 24 -0.856 -6.612 0.267 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.271 -6.632 -0.893 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.231 -5.952 0.556 1.00 0.00 N ATOM 0 H ASN B 24 -3.649 -6.521 0.268 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.170 -8.904 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.086 -6.637 2.041 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.893 -7.919 1.985 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.735 -5.454 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.577 -5.934 1.515 1.00 0.00 H new ATOM 911 N ALA B 25 -4.246 -8.730 2.529 1.00 0.00 N ATOM 912 CA ALA B 25 -4.865 -9.503 3.602 1.00 0.00 C ATOM 913 C ALA B 25 -5.684 -10.655 3.027 1.00 0.00 C ATOM 914 O ALA B 25 -5.756 -11.737 3.611 1.00 0.00 O ATOM 915 CB ALA B 25 -5.781 -8.613 4.445 1.00 0.00 C ATOM 0 H ALA B 25 -4.685 -7.828 2.345 1.00 0.00 H new ATOM 0 HA ALA B 25 -4.068 -9.902 4.230 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.234 -9.206 5.240 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.198 -7.803 4.884 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.565 -8.195 3.813 1.00 0.00 H new ATOM 921 N LEU B 26 -6.301 -10.409 1.875 1.00 0.00 N ATOM 922 CA LEU B 26 -7.115 -11.432 1.226 1.00 0.00 C ATOM 923 C LEU B 26 -6.232 -12.409 0.457 1.00 0.00 C ATOM 924 O LEU B 26 -6.490 -13.613 0.428 1.00 0.00 O ATOM 925 CB LEU B 26 -8.110 -10.791 0.256 1.00 0.00 C ATOM 926 CG LEU B 26 -9.400 -10.446 1.000 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.204 -9.430 0.187 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.232 -11.717 1.192 1.00 0.00 C ATOM 0 H LEU B 26 -6.254 -9.521 1.376 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.660 -11.969 2.003 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.679 -9.891 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.324 -11.474 -0.566 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.155 -10.019 1.973 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.124 -9.185 0.718 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.613 -8.525 0.049 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.450 -9.855 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.152 -11.473 1.722 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.476 -12.143 0.219 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.661 -12.442 1.772 1.00 0.00 H new ATOM 940 N LEU B 27 -5.184 -11.878 -0.166 1.00 0.00 N ATOM 941 CA LEU B 27 -4.264 -12.710 -0.935 1.00 0.00 C ATOM 942 C LEU B 27 -3.581 -13.727 -0.028 1.00 0.00 C ATOM 943 O LEU B 27 -3.623 -14.932 -0.276 1.00 0.00 O ATOM 944 CB LEU B 27 -3.197 -11.847 -1.611 1.00 0.00 C ATOM 945 CG LEU B 27 -3.708 -11.379 -2.975 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.954 -10.114 -3.395 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.474 -12.479 -4.013 1.00 0.00 C ATOM 0 H LEU B 27 -4.952 -10.885 -0.154 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.841 -13.233 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.960 -10.987 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.276 -12.417 -1.732 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.774 -11.163 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.317 -9.780 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.119 -9.330 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.888 -10.331 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.838 -12.146 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.408 -12.695 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.009 -13.380 -3.715 1.00 0.00 H new ATOM 959 N GLU B 28 -2.949 -13.226 1.032 1.00 0.00 N ATOM 960 CA GLU B 28 -2.254 -14.096 1.982 1.00 0.00 C ATOM 961 C GLU B 28 -3.223 -15.110 2.590 1.00 0.00 C ATOM 962 O GLU B 28 -2.907 -16.292 2.718 1.00 0.00 O ATOM 963 CB GLU B 28 -1.627 -13.263 3.103 1.00 0.00 C ATOM 964 CG GLU B 28 -0.792 -14.166 4.019 1.00 0.00 C ATOM 965 CD GLU B 28 0.485 -13.440 4.431 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.115 -12.853 3.566 1.00 0.00 O ATOM 967 OE2 GLU B 28 0.817 -13.485 5.605 1.00 0.00 O ATOM 0 H GLU B 28 -2.903 -12.232 1.254 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.470 -14.629 1.443 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.999 -12.480 2.678 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.408 -12.767 3.680 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.369 -14.437 4.903 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.544 -15.094 3.503 1.00 0.00 H new ATOM 974 N GLN B 29 -4.409 -14.631 2.961 1.00 0.00 N ATOM 975 CA GLN B 29 -5.427 -15.498 3.556 1.00 0.00 C ATOM 976 C GLN B 29 -5.738 -16.678 2.635 1.00 0.00 C ATOM 977 O GLN B 29 -6.060 -17.775 3.093 1.00 0.00 O ATOM 978 CB GLN B 29 -6.716 -14.715 3.812 1.00 0.00 C ATOM 979 CG GLN B 29 -7.634 -15.526 4.729 1.00 0.00 C ATOM 980 CD GLN B 29 -8.725 -14.619 5.289 1.00 0.00 C ATOM 981 OE1 GLN B 29 -9.560 -14.110 4.541 1.00 0.00 O ATOM 982 NE2 GLN B 29 -8.768 -14.386 6.572 1.00 0.00 N ATOM 0 H GLN B 29 -4.688 -13.655 2.862 1.00 0.00 H new ATOM 0 HA GLN B 29 -5.033 -15.871 4.501 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.485 -13.753 4.270 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.220 -14.506 2.868 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -8.081 -16.351 4.175 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.057 -15.964 5.543 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.076 -14.808 7.191 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.494 -13.782 6.957 1.00 0.00 H new ATOM 991 N GLN B 30 -5.628 -16.440 1.331 1.00 0.00 N ATOM 992 CA GLN B 30 -5.890 -17.487 0.350 1.00 0.00 C ATOM 993 C GLN B 30 -4.610 -18.268 0.065 1.00 0.00 C ATOM 994 O GLN B 30 -4.617 -19.495 -0.014 1.00 0.00 O ATOM 995 CB GLN B 30 -6.407 -16.884 -0.957 1.00 0.00 C ATOM 996 CG GLN B 30 -7.354 -17.875 -1.637 1.00 0.00 C ATOM 997 CD GLN B 30 -8.789 -17.584 -1.209 1.00 0.00 C ATOM 998 OE1 GLN B 30 -9.495 -18.475 -0.736 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.266 -16.377 -1.344 1.00 0.00 N ATOM 0 H GLN B 30 -5.362 -15.540 0.932 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.647 -18.155 0.760 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.927 -15.947 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.572 -16.651 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.263 -17.796 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.083 -18.896 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.682 -15.639 -1.736 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.223 -16.172 -1.058 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.509 -17.536 -0.081 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.216 -18.159 -0.351 1.00 0.00 C ATOM 1010 C VAL B 31 -1.822 -19.082 0.802 1.00 0.00 C ATOM 1011 O VAL B 31 -1.157 -20.100 0.602 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.139 -17.080 -0.533 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.199 -17.732 -0.896 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.558 -16.123 -1.657 1.00 0.00 C ATOM 0 H VAL B 31 -3.485 -16.518 -0.018 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.298 -18.745 -1.266 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.028 -16.527 0.400 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.957 -16.960 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.502 -18.410 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.091 -18.291 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.794 -15.357 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.673 -16.681 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.505 -15.650 -1.398 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.239 -18.715 2.010 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.924 -19.513 3.192 1.00 0.00 C ATOM 1026 C ARG B 32 -2.751 -20.800 3.221 1.00 0.00 C ATOM 1027 O ARG B 32 -2.346 -21.797 3.818 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.206 -18.715 4.466 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.267 -19.182 5.581 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.769 -18.655 6.925 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.042 -19.285 8.031 1.00 0.00 N ATOM 1032 CZ ARG B 32 -1.314 -19.006 9.314 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -2.252 -18.149 9.640 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.633 -19.597 10.257 1.00 0.00 N ATOM 0 H ARG B 32 -2.791 -17.878 2.196 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.865 -19.768 3.144 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.065 -17.650 4.279 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.244 -18.850 4.770 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.221 -20.271 5.600 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.255 -18.823 5.393 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.641 -17.573 6.968 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -2.836 -18.854 7.024 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.305 -19.957 7.818 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -2.790 -17.681 8.911 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -2.443 -17.951 10.622 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.099 -20.265 10.015 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.833 -19.391 11.236 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.916 -20.770 2.573 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.787 -21.943 2.543 1.00 0.00 C ATOM 1050 C ALA B 33 -4.584 -22.746 1.258 1.00 0.00 C ATOM 1051 O ALA B 33 -5.493 -23.441 0.800 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.254 -21.520 2.637 1.00 0.00 C ATOM 0 H ALA B 33 -4.274 -19.959 2.069 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.528 -22.567 3.398 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.890 -22.405 2.613 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.418 -20.980 3.570 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.501 -20.873 1.795 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.388 -22.650 0.683 1.00 0.00 N ATOM 1059 CA LEU B 34 -3.083 -23.378 -0.546 1.00 0.00 C ATOM 1060 C LEU B 34 -1.754 -24.119 -0.406 1.00 0.00 C ATOM 1061 O LEU B 34 -0.713 -23.640 -0.856 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.004 -22.414 -1.741 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.303 -22.461 -2.561 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.513 -23.873 -3.119 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.496 -22.075 -1.679 1.00 0.00 C ATOM 0 H LEU B 34 -2.621 -22.082 1.043 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.883 -24.097 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.829 -21.399 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.158 -22.680 -2.375 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.225 -21.753 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.435 -23.901 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.672 -24.140 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.581 -24.583 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.412 -22.111 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.573 -22.773 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.352 -21.065 -1.294 1.00 0.00 H new