USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= -0.0892 X(o=-0.089,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.034) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.89 K(o=-1.9,f=-7.4!) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0128) USER MOD Single : A 29 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.9) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.484 K(o=-0.48,f=-4.5!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-8.2!) USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 15 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.2) USER MOD Single : B 24 ASN : amide:sc= -6.18! C(o=-6.2!,f=-12!) USER MOD Single : B 29 GLN : amide:sc= -2.79 X(o=-2.8,f=-2.9!) USER MOD Single : B 30 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.484 18.048 3.830 1.00 0.00 N ATOM 48 CA GLN A 7 5.481 17.570 2.876 1.00 0.00 C ATOM 49 C GLN A 7 6.129 16.285 3.382 1.00 0.00 C ATOM 50 O GLN A 7 6.503 15.410 2.600 1.00 0.00 O ATOM 51 CB GLN A 7 6.569 18.625 2.662 1.00 0.00 C ATOM 52 CG GLN A 7 7.467 18.203 1.498 1.00 0.00 C ATOM 53 CD GLN A 7 8.890 18.691 1.751 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.416 19.508 0.993 1.00 0.00 O ATOM 55 NE2 GLN A 7 9.550 18.236 2.779 1.00 0.00 N ATOM 0 HA GLN A 7 4.974 17.375 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.115 19.594 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.162 18.741 3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.457 17.118 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.089 18.619 0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.114 17.560 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.502 18.556 2.956 1.00 0.00 H new ATOM 64 N ALA A 8 6.259 16.181 4.702 1.00 0.00 N ATOM 65 CA ALA A 8 6.863 14.997 5.307 1.00 0.00 C ATOM 66 C ALA A 8 5.915 13.806 5.212 1.00 0.00 C ATOM 67 O ALA A 8 6.313 12.706 4.828 1.00 0.00 O ATOM 68 CB ALA A 8 7.191 15.258 6.779 1.00 0.00 C ATOM 0 H ALA A 8 5.958 16.893 5.367 1.00 0.00 H new ATOM 0 HA ALA A 8 7.781 14.773 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.640 14.366 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.891 16.090 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.276 15.504 7.318 1.00 0.00 H new ATOM 74 N GLU A 9 4.654 14.039 5.567 1.00 0.00 N ATOM 75 CA GLU A 9 3.651 12.979 5.519 1.00 0.00 C ATOM 76 C GLU A 9 3.412 12.535 4.079 1.00 0.00 C ATOM 77 O GLU A 9 3.130 11.367 3.813 1.00 0.00 O ATOM 78 CB GLU A 9 2.330 13.463 6.118 1.00 0.00 C ATOM 79 CG GLU A 9 2.315 13.179 7.620 1.00 0.00 C ATOM 80 CD GLU A 9 0.943 13.523 8.191 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.087 12.654 8.186 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.769 14.651 8.622 1.00 0.00 O ATOM 0 H GLU A 9 4.305 14.942 5.888 1.00 0.00 H new ATOM 0 HA GLU A 9 4.025 12.137 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.207 14.531 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.493 12.960 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.544 12.129 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.086 13.766 8.119 1.00 0.00 H new ATOM 89 N GLU A 10 3.527 13.484 3.154 1.00 0.00 N ATOM 90 CA GLU A 10 3.319 13.184 1.740 1.00 0.00 C ATOM 91 C GLU A 10 4.350 12.170 1.254 1.00 0.00 C ATOM 92 O GLU A 10 4.019 11.216 0.549 1.00 0.00 O ATOM 93 CB GLU A 10 3.439 14.457 0.899 1.00 0.00 C ATOM 94 CG GLU A 10 2.507 14.360 -0.311 1.00 0.00 C ATOM 95 CD GLU A 10 2.163 15.763 -0.802 1.00 0.00 C ATOM 96 OE1 GLU A 10 1.666 16.542 -0.006 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.405 16.037 -1.966 1.00 0.00 O ATOM 0 H GLU A 10 3.760 14.457 3.354 1.00 0.00 H new ATOM 0 HA GLU A 10 2.318 12.768 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.181 15.329 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.469 14.591 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.986 13.792 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.597 13.825 -0.041 1.00 0.00 H new ATOM 104 N GLN A 11 5.603 12.388 1.641 1.00 0.00 N ATOM 105 CA GLN A 11 6.681 11.486 1.241 1.00 0.00 C ATOM 106 C GLN A 11 6.475 10.104 1.852 1.00 0.00 C ATOM 107 O GLN A 11 6.822 9.085 1.256 1.00 0.00 O ATOM 108 CB GLN A 11 8.034 12.034 1.695 1.00 0.00 C ATOM 109 CG GLN A 11 8.554 13.034 0.660 1.00 0.00 C ATOM 110 CD GLN A 11 9.250 12.282 -0.469 1.00 0.00 C ATOM 111 OE1 GLN A 11 8.734 12.206 -1.584 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.405 11.716 -0.247 1.00 0.00 N ATOM 0 H GLN A 11 5.896 13.172 2.224 1.00 0.00 H new ATOM 0 HA GLN A 11 6.667 11.408 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.934 12.519 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.746 11.218 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.729 13.625 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.248 13.731 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.834 11.778 0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.878 11.212 -0.997 1.00 0.00 H new ATOM 121 N LYS A 12 5.905 10.082 3.054 1.00 0.00 N ATOM 122 CA LYS A 12 5.655 8.820 3.745 1.00 0.00 C ATOM 123 C LYS A 12 4.517 8.060 3.072 1.00 0.00 C ATOM 124 O LYS A 12 4.568 6.838 2.927 1.00 0.00 O ATOM 125 CB LYS A 12 5.287 9.075 5.209 1.00 0.00 C ATOM 126 CG LYS A 12 5.557 7.813 6.031 1.00 0.00 C ATOM 127 CD LYS A 12 5.071 8.025 7.466 1.00 0.00 C ATOM 128 CE LYS A 12 6.027 8.972 8.195 1.00 0.00 C ATOM 129 NZ LYS A 12 5.664 9.028 9.639 1.00 0.00 N ATOM 0 H LYS A 12 5.610 10.914 3.565 1.00 0.00 H new ATOM 0 HA LYS A 12 6.567 8.225 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.869 9.909 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.236 9.355 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.046 6.960 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.623 7.584 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.063 8.441 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.020 7.070 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.055 8.628 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.974 9.969 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.313 9.671 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.689 9.375 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.736 8.076 10.052 1.00 0.00 H new ATOM 143 N LEU A 13 3.488 8.797 2.663 1.00 0.00 N ATOM 144 CA LEU A 13 2.337 8.184 2.004 1.00 0.00 C ATOM 145 C LEU A 13 2.763 7.504 0.706 1.00 0.00 C ATOM 146 O LEU A 13 2.267 6.433 0.358 1.00 0.00 O ATOM 147 CB LEU A 13 1.277 9.240 1.688 1.00 0.00 C ATOM 148 CG LEU A 13 0.402 9.472 2.921 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.163 10.893 2.888 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.751 8.465 2.924 1.00 0.00 C ATOM 0 H LEU A 13 3.426 9.809 2.774 1.00 0.00 H new ATOM 0 HA LEU A 13 1.919 7.440 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.756 10.172 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.662 8.913 0.849 1.00 0.00 H new ATOM 0 HG LEU A 13 1.002 9.342 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.786 11.057 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.657 11.611 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.763 11.025 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.375 8.629 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.350 8.596 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.349 7.452 2.949 1.00 0.00 H new ATOM 162 N ILE A 14 3.690 8.142 -0.004 1.00 0.00 N ATOM 163 CA ILE A 14 4.181 7.593 -1.267 1.00 0.00 C ATOM 164 C ILE A 14 5.113 6.414 -1.007 1.00 0.00 C ATOM 165 O ILE A 14 4.927 5.324 -1.550 1.00 0.00 O ATOM 166 CB ILE A 14 4.935 8.668 -2.056 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.021 9.878 -2.264 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.357 8.112 -3.420 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.858 11.082 -2.702 1.00 0.00 C ATOM 0 H ILE A 14 4.113 9.029 0.269 1.00 0.00 H new ATOM 0 HA ILE A 14 3.323 7.253 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 14 5.823 8.967 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.267 9.652 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.489 10.108 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.893 8.881 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.007 7.249 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.472 7.810 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.207 11.943 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.595 11.312 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.369 10.849 -3.636 1.00 0.00 H new ATOM 181 N SER A 15 6.127 6.645 -0.177 1.00 0.00 N ATOM 182 CA SER A 15 7.093 5.598 0.143 1.00 0.00 C ATOM 183 C SER A 15 6.398 4.391 0.769 1.00 0.00 C ATOM 184 O SER A 15 6.817 3.249 0.581 1.00 0.00 O ATOM 185 CB SER A 15 8.149 6.123 1.117 1.00 0.00 C ATOM 186 OG SER A 15 9.273 5.255 1.103 1.00 0.00 O ATOM 0 H SER A 15 6.300 7.539 0.282 1.00 0.00 H new ATOM 0 HA SER A 15 7.572 5.294 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.451 7.132 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.734 6.184 2.123 1.00 0.00 H new ATOM 0 HG SER A 15 9.952 5.589 1.725 1.00 0.00 H new ATOM 192 N GLU A 16 5.328 4.657 1.512 1.00 0.00 N ATOM 193 CA GLU A 16 4.578 3.585 2.160 1.00 0.00 C ATOM 194 C GLU A 16 3.817 2.767 1.122 1.00 0.00 C ATOM 195 O GLU A 16 3.778 1.538 1.185 1.00 0.00 O ATOM 196 CB GLU A 16 3.583 4.160 3.171 1.00 0.00 C ATOM 197 CG GLU A 16 2.966 3.022 3.985 1.00 0.00 C ATOM 198 CD GLU A 16 1.711 3.525 4.692 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.840 4.031 5.795 1.00 0.00 O ATOM 200 OE2 GLU A 16 0.641 3.397 4.121 1.00 0.00 O ATOM 0 H GLU A 16 4.963 5.595 1.680 1.00 0.00 H new ATOM 0 HA GLU A 16 5.289 2.943 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.087 4.863 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.802 4.715 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.718 2.186 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.685 2.652 4.716 1.00 0.00 H new ATOM 207 N GLU A 17 3.214 3.465 0.164 1.00 0.00 N ATOM 208 CA GLU A 17 2.454 2.796 -0.889 1.00 0.00 C ATOM 209 C GLU A 17 3.369 1.902 -1.718 1.00 0.00 C ATOM 210 O GLU A 17 2.977 0.819 -2.151 1.00 0.00 O ATOM 211 CB GLU A 17 1.795 3.826 -1.809 1.00 0.00 C ATOM 212 CG GLU A 17 0.415 4.191 -1.261 1.00 0.00 C ATOM 213 CD GLU A 17 -0.357 4.985 -2.309 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.583 4.448 -3.381 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.710 6.118 -2.026 1.00 0.00 O ATOM 0 H GLU A 17 3.235 4.482 0.094 1.00 0.00 H new ATOM 0 HA GLU A 17 1.684 2.188 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.418 4.718 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.702 3.422 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.134 3.287 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.518 4.778 -0.348 1.00 0.00 H new ATOM 222 N ASP A 18 4.595 2.369 -1.935 1.00 0.00 N ATOM 223 CA ASP A 18 5.565 1.605 -2.716 1.00 0.00 C ATOM 224 C ASP A 18 5.878 0.282 -2.024 1.00 0.00 C ATOM 225 O ASP A 18 6.036 -0.752 -2.673 1.00 0.00 O ATOM 226 CB ASP A 18 6.862 2.398 -2.885 1.00 0.00 C ATOM 227 CG ASP A 18 7.736 1.725 -3.939 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.268 1.565 -5.054 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.861 1.381 -3.614 1.00 0.00 O ATOM 0 H ASP A 18 4.939 3.263 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 18 5.130 1.411 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.638 3.422 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.395 2.451 -1.935 1.00 0.00 H new ATOM 234 N LEU A 19 5.964 0.328 -0.697 1.00 0.00 N ATOM 235 CA LEU A 19 6.258 -0.874 0.079 1.00 0.00 C ATOM 236 C LEU A 19 5.156 -1.911 -0.109 1.00 0.00 C ATOM 237 O LEU A 19 5.410 -3.115 -0.118 1.00 0.00 O ATOM 238 CB LEU A 19 6.374 -0.536 1.566 1.00 0.00 C ATOM 239 CG LEU A 19 7.346 -1.509 2.236 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.761 -0.930 2.193 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.929 -1.723 3.693 1.00 0.00 C ATOM 0 H LEU A 19 5.836 1.174 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 19 7.205 -1.280 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.725 0.489 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.395 -0.598 2.041 1.00 0.00 H new ATOM 0 HG LEU A 19 7.327 -2.462 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.453 -1.624 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.060 -0.776 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.780 0.023 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.621 -2.416 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.948 -0.769 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.921 -2.136 3.726 1.00 0.00 H new ATOM 253 N LEU A 20 3.925 -1.429 -0.261 1.00 0.00 N ATOM 254 CA LEU A 20 2.785 -2.321 -0.451 1.00 0.00 C ATOM 255 C LEU A 20 2.721 -2.802 -1.897 1.00 0.00 C ATOM 256 O LEU A 20 2.295 -3.924 -2.175 1.00 0.00 O ATOM 257 CB LEU A 20 1.479 -1.604 -0.104 1.00 0.00 C ATOM 258 CG LEU A 20 1.165 -1.803 1.379 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.401 -0.587 1.907 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.306 -3.058 1.553 1.00 0.00 C ATOM 0 H LEU A 20 3.693 -0.436 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 20 2.914 -3.177 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.565 -0.541 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.665 -1.994 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 20 2.095 -1.917 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.177 -0.729 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.010 0.308 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.530 -0.473 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.081 -3.201 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.624 -2.942 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.848 -3.925 1.177 1.00 0.00 H new ATOM 272 N ARG A 21 3.148 -1.939 -2.815 1.00 0.00 N ATOM 273 CA ARG A 21 3.135 -2.283 -4.234 1.00 0.00 C ATOM 274 C ARG A 21 4.070 -3.457 -4.507 1.00 0.00 C ATOM 275 O ARG A 21 3.767 -4.336 -5.314 1.00 0.00 O ATOM 276 CB ARG A 21 3.580 -1.087 -5.079 1.00 0.00 C ATOM 277 CG ARG A 21 2.390 -0.154 -5.311 1.00 0.00 C ATOM 278 CD ARG A 21 2.876 1.295 -5.357 1.00 0.00 C ATOM 279 NE ARG A 21 3.907 1.461 -6.385 1.00 0.00 N ATOM 280 CZ ARG A 21 4.288 2.671 -6.821 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.751 3.768 -6.344 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.211 2.757 -7.740 1.00 0.00 N ATOM 0 H ARG A 21 3.504 -1.006 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 21 2.116 -2.559 -4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.383 -0.550 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.978 -1.431 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.891 -0.411 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.657 -0.277 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.037 1.959 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.275 1.581 -4.384 1.00 0.00 H new ATOM 0 HE ARG A 21 4.348 0.631 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.028 3.712 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.056 4.678 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.634 1.910 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.509 3.672 -8.080 1.00 0.00 H new ATOM 296 N LYS A 22 5.211 -3.461 -3.823 1.00 0.00 N ATOM 297 CA LYS A 22 6.189 -4.532 -3.997 1.00 0.00 C ATOM 298 C LYS A 22 5.745 -5.798 -3.265 1.00 0.00 C ATOM 299 O LYS A 22 6.122 -6.909 -3.638 1.00 0.00 O ATOM 300 CB LYS A 22 7.556 -4.102 -3.461 1.00 0.00 C ATOM 301 CG LYS A 22 7.420 -3.649 -2.007 1.00 0.00 C ATOM 302 CD LYS A 22 8.787 -3.708 -1.322 1.00 0.00 C ATOM 303 CE LYS A 22 8.950 -5.058 -0.621 1.00 0.00 C ATOM 304 NZ LYS A 22 10.380 -5.476 -0.673 1.00 0.00 N ATOM 0 H LYS A 22 5.480 -2.743 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 22 6.264 -4.741 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.261 -4.930 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.957 -3.291 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.025 -2.634 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.710 -4.288 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.580 -3.570 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.878 -2.898 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.619 -4.984 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.323 -5.808 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.491 -6.394 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.681 -5.562 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.967 -4.764 -0.194 1.00 0.00 H new ATOM 318 N ARG A 23 4.941 -5.623 -2.217 1.00 0.00 N ATOM 319 CA ARG A 23 4.458 -6.763 -1.443 1.00 0.00 C ATOM 320 C ARG A 23 3.320 -7.469 -2.174 1.00 0.00 C ATOM 321 O ARG A 23 3.262 -8.698 -2.217 1.00 0.00 O ATOM 322 CB ARG A 23 3.961 -6.304 -0.071 1.00 0.00 C ATOM 323 CG ARG A 23 3.674 -7.526 0.804 1.00 0.00 C ATOM 324 CD ARG A 23 4.994 -8.151 1.257 1.00 0.00 C ATOM 325 NE ARG A 23 4.756 -9.188 2.264 1.00 0.00 N ATOM 326 CZ ARG A 23 5.710 -10.058 2.631 1.00 0.00 C ATOM 327 NH1 ARG A 23 6.908 -10.017 2.101 1.00 0.00 N ATOM 328 NH2 ARG A 23 5.439 -10.960 3.534 1.00 0.00 N ATOM 0 H ARG A 23 4.614 -4.714 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 23 5.289 -7.457 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.709 -5.670 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.058 -5.703 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.081 -7.234 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.086 -8.256 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.512 -8.581 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.645 -7.380 1.668 1.00 0.00 H new ATOM 0 HE ARG A 23 3.836 -9.251 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.130 -9.315 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.619 -10.688 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.510 -10.999 3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.156 -11.626 3.821 1.00 0.00 H new ATOM 342 N ARG A 24 2.412 -6.680 -2.741 1.00 0.00 N ATOM 343 CA ARG A 24 1.272 -7.246 -3.461 1.00 0.00 C ATOM 344 C ARG A 24 1.736 -8.017 -4.694 1.00 0.00 C ATOM 345 O ARG A 24 1.192 -9.072 -5.021 1.00 0.00 O ATOM 346 CB ARG A 24 0.295 -6.144 -3.890 1.00 0.00 C ATOM 347 CG ARG A 24 1.010 -5.121 -4.777 1.00 0.00 C ATOM 348 CD ARG A 24 0.028 -4.019 -5.174 1.00 0.00 C ATOM 349 NE ARG A 24 -0.940 -4.518 -6.155 1.00 0.00 N ATOM 350 CZ ARG A 24 -0.594 -4.787 -7.421 1.00 0.00 C ATOM 351 NH1 ARG A 24 0.636 -4.612 -7.844 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.498 -5.231 -8.251 1.00 0.00 N ATOM 0 H ARG A 24 2.440 -5.661 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 24 0.763 -7.930 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.544 -6.582 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.116 -5.649 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.859 -4.692 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.406 -5.609 -5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.496 -3.656 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.573 -3.172 -5.591 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.907 -4.665 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.351 -4.265 -7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.877 -4.823 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.457 -5.370 -7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.245 -5.439 -9.217 1.00 0.00 H new ATOM 366 N GLU A 25 2.745 -7.484 -5.377 1.00 0.00 N ATOM 367 CA GLU A 25 3.267 -8.142 -6.573 1.00 0.00 C ATOM 368 C GLU A 25 3.986 -9.434 -6.197 1.00 0.00 C ATOM 369 O GLU A 25 3.972 -10.411 -6.948 1.00 0.00 O ATOM 370 CB GLU A 25 4.236 -7.222 -7.325 1.00 0.00 C ATOM 371 CG GLU A 25 5.385 -6.805 -6.402 1.00 0.00 C ATOM 372 CD GLU A 25 6.423 -6.028 -7.204 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.173 -4.870 -7.495 1.00 0.00 O ATOM 374 OE2 GLU A 25 7.454 -6.600 -7.514 1.00 0.00 O ATOM 0 H GLU A 25 3.212 -6.612 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 25 2.423 -8.372 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.631 -7.735 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.708 -6.339 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.005 -6.190 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.842 -7.686 -5.952 1.00 0.00 H new ATOM 381 N GLN A 26 4.611 -9.431 -5.023 1.00 0.00 N ATOM 382 CA GLN A 26 5.332 -10.608 -4.552 1.00 0.00 C ATOM 383 C GLN A 26 4.349 -11.673 -4.077 1.00 0.00 C ATOM 384 O GLN A 26 4.572 -12.871 -4.258 1.00 0.00 O ATOM 385 CB GLN A 26 6.265 -10.238 -3.396 1.00 0.00 C ATOM 386 CG GLN A 26 7.524 -11.108 -3.454 1.00 0.00 C ATOM 387 CD GLN A 26 7.326 -12.352 -2.593 1.00 0.00 C ATOM 388 OE1 GLN A 26 6.195 -12.778 -2.358 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.369 -12.962 -2.104 1.00 0.00 N ATOM 0 H GLN A 26 4.633 -8.635 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 26 5.922 -10.999 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.536 -9.184 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.755 -10.381 -2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.732 -11.396 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.386 -10.542 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.305 -12.608 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.249 -13.794 -1.526 1.00 0.00 H new ATOM 398 N LEU A 27 3.255 -11.221 -3.469 1.00 0.00 N ATOM 399 CA LEU A 27 2.237 -12.140 -2.973 1.00 0.00 C ATOM 400 C LEU A 27 1.529 -12.826 -4.136 1.00 0.00 C ATOM 401 O LEU A 27 1.203 -14.012 -4.072 1.00 0.00 O ATOM 402 CB LEU A 27 1.201 -11.390 -2.133 1.00 0.00 C ATOM 403 CG LEU A 27 1.788 -11.081 -0.754 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.107 -9.839 -0.175 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.552 -12.272 0.176 1.00 0.00 C ATOM 0 H LEU A 27 3.053 -10.234 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 27 2.732 -12.889 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.913 -10.465 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.298 -11.991 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 27 2.858 -10.897 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.525 -9.619 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.273 -8.990 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.037 -10.022 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.969 -12.054 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.481 -12.455 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.037 -13.157 -0.236 1.00 0.00 H new ATOM 417 N LYS A 28 1.301 -12.066 -5.203 1.00 0.00 N ATOM 418 CA LYS A 28 0.634 -12.608 -6.384 1.00 0.00 C ATOM 419 C LYS A 28 1.490 -13.694 -7.024 1.00 0.00 C ATOM 420 O LYS A 28 0.976 -14.678 -7.557 1.00 0.00 O ATOM 421 CB LYS A 28 0.382 -11.502 -7.411 1.00 0.00 C ATOM 422 CG LYS A 28 -0.654 -11.979 -8.431 1.00 0.00 C ATOM 423 CD LYS A 28 -0.942 -10.858 -9.432 1.00 0.00 C ATOM 424 CE LYS A 28 -0.023 -11.011 -10.646 1.00 0.00 C ATOM 425 NZ LYS A 28 -0.575 -12.050 -11.560 1.00 0.00 N ATOM 0 H LYS A 28 1.565 -11.083 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.319 -13.033 -6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.027 -10.601 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.312 -11.241 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.285 -12.861 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.573 -12.271 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.985 -10.895 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.784 -9.887 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.065 -10.060 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.980 -11.291 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.190 -12.434 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.997 -12.817 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.303 -11.625 -12.169 1.00 0.00 H new ATOM 439 N HIS A 29 2.805 -13.507 -6.964 1.00 0.00 N ATOM 440 CA HIS A 29 3.732 -14.478 -7.539 1.00 0.00 C ATOM 441 C HIS A 29 3.680 -15.790 -6.764 1.00 0.00 C ATOM 442 O HIS A 29 3.885 -16.867 -7.325 1.00 0.00 O ATOM 443 CB HIS A 29 5.163 -13.938 -7.509 1.00 0.00 C ATOM 444 CG HIS A 29 5.255 -12.707 -8.369 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.449 -12.518 -9.481 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.054 -11.593 -8.293 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.778 -11.332 -10.024 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.750 -10.726 -9.339 1.00 0.00 N ATOM 0 H HIS A 29 3.250 -12.700 -6.527 1.00 0.00 H new ATOM 0 HA HIS A 29 3.433 -14.654 -8.572 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.452 -13.701 -6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.857 -14.698 -7.868 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.804 -11.416 -7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.312 -10.920 -10.907 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.178 -9.822 -9.539 1.00 0.00 H new ATOM 647 N LYS B 9 -4.120 15.045 -2.958 1.00 0.00 N ATOM 648 CA LYS B 9 -3.099 14.012 -3.102 1.00 0.00 C ATOM 649 C LYS B 9 -3.105 13.085 -1.890 1.00 0.00 C ATOM 650 O LYS B 9 -3.007 11.865 -2.023 1.00 0.00 O ATOM 651 CB LYS B 9 -1.713 14.644 -3.238 1.00 0.00 C ATOM 652 CG LYS B 9 -0.777 13.673 -3.963 1.00 0.00 C ATOM 653 CD LYS B 9 0.219 14.463 -4.814 1.00 0.00 C ATOM 654 CE LYS B 9 -0.357 14.666 -6.217 1.00 0.00 C ATOM 655 NZ LYS B 9 0.755 14.906 -7.180 1.00 0.00 N ATOM 0 HA LYS B 9 -3.326 13.438 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.782 15.581 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.313 14.884 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.244 13.056 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.355 12.997 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.424 15.428 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS B 9 1.167 13.929 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.929 13.788 -6.517 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.045 15.512 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.364 15.044 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.283 15.756 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.395 14.086 -7.183 1.00 0.00 H new ATOM 669 N ASN B 10 -3.222 13.680 -0.707 1.00 0.00 N ATOM 670 CA ASN B 10 -3.240 12.900 0.529 1.00 0.00 C ATOM 671 C ASN B 10 -4.458 11.983 0.562 1.00 0.00 C ATOM 672 O ASN B 10 -4.373 10.828 0.982 1.00 0.00 O ATOM 673 CB ASN B 10 -3.280 13.826 1.746 1.00 0.00 C ATOM 674 CG ASN B 10 -1.864 14.278 2.089 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.899 13.553 1.848 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.681 15.445 2.643 1.00 0.00 N ATOM 0 H ASN B 10 -3.305 14.688 -0.577 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.331 12.299 0.561 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.909 14.692 1.537 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.724 13.308 2.596 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.738 15.757 2.876 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.481 16.046 2.843 1.00 0.00 H new ATOM 683 N ASP B 11 -5.593 12.511 0.114 1.00 0.00 N ATOM 684 CA ASP B 11 -6.830 11.732 0.097 1.00 0.00 C ATOM 685 C ASP B 11 -6.688 10.530 -0.832 1.00 0.00 C ATOM 686 O ASP B 11 -7.255 9.466 -0.584 1.00 0.00 O ATOM 687 CB ASP B 11 -7.998 12.595 -0.380 1.00 0.00 C ATOM 688 CG ASP B 11 -8.637 13.291 0.817 1.00 0.00 C ATOM 689 OD1 ASP B 11 -7.993 14.158 1.386 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.762 12.951 1.146 1.00 0.00 O ATOM 0 H ASP B 11 -5.684 13.464 -0.239 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.025 11.386 1.112 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.648 13.335 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.736 11.977 -0.892 1.00 0.00 H new ATOM 695 N THR B 12 -5.927 10.713 -1.907 1.00 0.00 N ATOM 696 CA THR B 12 -5.715 9.637 -2.871 1.00 0.00 C ATOM 697 C THR B 12 -4.779 8.578 -2.295 1.00 0.00 C ATOM 698 O THR B 12 -4.904 7.391 -2.591 1.00 0.00 O ATOM 699 CB THR B 12 -5.110 10.187 -4.165 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.765 11.400 -4.513 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.290 9.167 -5.289 1.00 0.00 C ATOM 0 H THR B 12 -5.451 11.587 -2.132 1.00 0.00 H new ATOM 0 HA THR B 12 -6.683 9.186 -3.087 1.00 0.00 H new ATOM 0 HB THR B 12 -4.047 10.376 -4.018 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.378 11.755 -5.340 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.859 9.560 -6.210 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.788 8.238 -5.021 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.352 8.975 -5.439 1.00 0.00 H new ATOM 709 N HIS B 13 -3.837 9.025 -1.469 1.00 0.00 N ATOM 710 CA HIS B 13 -2.880 8.109 -0.853 1.00 0.00 C ATOM 711 C HIS B 13 -3.567 7.246 0.201 1.00 0.00 C ATOM 712 O HIS B 13 -3.196 6.093 0.417 1.00 0.00 O ATOM 713 CB HIS B 13 -1.741 8.889 -0.193 1.00 0.00 C ATOM 714 CG HIS B 13 -0.834 9.451 -1.253 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.098 8.641 -2.103 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.531 10.741 -1.612 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.605 9.443 -2.923 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.378 10.734 -2.666 1.00 0.00 N ATOM 0 H HIS B 13 -3.716 10.005 -1.212 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.476 7.469 -1.638 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.146 9.695 0.419 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.177 8.236 0.473 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.091 7.621 -2.106 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.937 11.627 -1.147 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.271 9.087 -3.695 1.00 0.00 H new ATOM 726 N GLN B 14 -4.572 7.821 0.857 1.00 0.00 N ATOM 727 CA GLN B 14 -5.306 7.098 1.893 1.00 0.00 C ATOM 728 C GLN B 14 -6.115 5.960 1.279 1.00 0.00 C ATOM 729 O GLN B 14 -6.023 4.810 1.710 1.00 0.00 O ATOM 730 CB GLN B 14 -6.254 8.040 2.634 1.00 0.00 C ATOM 731 CG GLN B 14 -6.518 7.496 4.040 1.00 0.00 C ATOM 732 CD GLN B 14 -7.369 8.492 4.820 1.00 0.00 C ATOM 733 OE1 GLN B 14 -8.208 9.186 4.245 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.204 8.604 6.110 1.00 0.00 N ATOM 0 H GLN B 14 -4.894 8.775 0.693 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.580 6.689 2.595 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.819 9.038 2.694 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -7.192 8.134 2.087 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -7.028 6.535 3.979 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.574 7.324 4.558 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.509 8.029 6.587 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.770 9.266 6.641 1.00 0.00 H new ATOM 743 N GLN B 15 -6.910 6.292 0.266 1.00 0.00 N ATOM 744 CA GLN B 15 -7.737 5.291 -0.403 1.00 0.00 C ATOM 745 C GLN B 15 -6.860 4.217 -1.041 1.00 0.00 C ATOM 746 O GLN B 15 -7.159 3.025 -0.962 1.00 0.00 O ATOM 747 CB GLN B 15 -8.597 5.941 -1.488 1.00 0.00 C ATOM 748 CG GLN B 15 -9.856 5.103 -1.712 1.00 0.00 C ATOM 749 CD GLN B 15 -10.965 5.593 -0.787 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.702 6.016 0.338 1.00 0.00 O ATOM 751 NE2 GLN B 15 -12.203 5.560 -1.199 1.00 0.00 N ATOM 0 H GLN B 15 -7.000 7.237 -0.107 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.385 4.836 0.346 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.870 6.954 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.031 6.021 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -10.175 5.178 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.645 4.051 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -12.421 5.209 -2.132 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.953 5.885 -0.588 1.00 0.00 H new ATOM 760 N ASP B 16 -5.776 4.653 -1.674 1.00 0.00 N ATOM 761 CA ASP B 16 -4.858 3.720 -2.322 1.00 0.00 C ATOM 762 C ASP B 16 -4.242 2.781 -1.292 1.00 0.00 C ATOM 763 O ASP B 16 -4.122 1.579 -1.520 1.00 0.00 O ATOM 764 CB ASP B 16 -3.738 4.479 -3.037 1.00 0.00 C ATOM 765 CG ASP B 16 -3.265 3.674 -4.242 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.236 2.458 -4.144 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.940 4.284 -5.247 1.00 0.00 O ATOM 0 H ASP B 16 -5.512 5.635 -1.753 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.425 3.141 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.095 5.458 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.907 4.651 -2.353 1.00 0.00 H new ATOM 772 N ILE B 17 -3.856 3.345 -0.151 1.00 0.00 N ATOM 773 CA ILE B 17 -3.251 2.556 0.923 1.00 0.00 C ATOM 774 C ILE B 17 -4.208 1.453 1.376 1.00 0.00 C ATOM 775 O ILE B 17 -3.956 0.266 1.174 1.00 0.00 O ATOM 776 CB ILE B 17 -2.900 3.480 2.117 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.551 4.151 1.847 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.812 2.693 3.442 1.00 0.00 C ATOM 779 CD1 ILE B 17 -1.336 5.287 2.850 1.00 0.00 C ATOM 0 H ILE B 17 -3.950 4.340 0.055 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.338 2.091 0.549 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.692 4.223 2.215 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.746 3.421 1.931 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.524 4.540 0.829 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.564 3.376 4.255 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.771 2.218 3.647 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.038 1.929 3.361 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -0.375 5.765 2.658 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -2.134 6.022 2.744 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.345 4.885 3.863 1.00 0.00 H new ATOM 791 N ASP B 18 -5.290 1.871 2.029 1.00 0.00 N ATOM 792 CA ASP B 18 -6.277 0.933 2.559 1.00 0.00 C ATOM 793 C ASP B 18 -6.645 -0.150 1.536 1.00 0.00 C ATOM 794 O ASP B 18 -6.993 -1.273 1.899 1.00 0.00 O ATOM 795 CB ASP B 18 -7.547 1.682 2.974 1.00 0.00 C ATOM 796 CG ASP B 18 -7.469 2.042 4.455 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.522 2.711 4.834 1.00 0.00 O ATOM 798 OD2 ASP B 18 -8.360 1.644 5.188 1.00 0.00 O ATOM 0 H ASP B 18 -5.506 2.853 2.204 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.828 0.447 3.425 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.660 2.586 2.375 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.424 1.063 2.786 1.00 0.00 H new ATOM 803 N ASP B 19 -6.560 0.204 0.257 1.00 0.00 N ATOM 804 CA ASP B 19 -6.882 -0.743 -0.808 1.00 0.00 C ATOM 805 C ASP B 19 -5.736 -1.731 -1.003 1.00 0.00 C ATOM 806 O ASP B 19 -5.953 -2.913 -1.272 1.00 0.00 O ATOM 807 CB ASP B 19 -7.135 -0.007 -2.124 1.00 0.00 C ATOM 808 CG ASP B 19 -7.708 -0.978 -3.150 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.926 -1.592 -3.858 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.921 -1.097 -3.213 1.00 0.00 O ATOM 0 H ASP B 19 -6.274 1.128 -0.066 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.784 -1.282 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.828 0.819 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.206 0.424 -2.496 1.00 0.00 H new ATOM 815 N LEU B 20 -4.512 -1.231 -0.862 1.00 0.00 N ATOM 816 CA LEU B 20 -3.328 -2.073 -1.020 1.00 0.00 C ATOM 817 C LEU B 20 -3.115 -2.933 0.222 1.00 0.00 C ATOM 818 O LEU B 20 -2.649 -4.069 0.135 1.00 0.00 O ATOM 819 CB LEU B 20 -2.085 -1.210 -1.242 1.00 0.00 C ATOM 820 CG LEU B 20 -2.245 -0.404 -2.532 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.398 0.868 -2.448 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.782 -1.248 -3.720 1.00 0.00 C ATOM 0 H LEU B 20 -4.313 -0.255 -0.640 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.486 -2.716 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.941 -0.537 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.198 -1.841 -1.303 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.293 -0.134 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.512 1.442 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.728 1.470 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.350 0.599 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.896 -0.675 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.734 -1.518 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.386 -2.154 -3.780 1.00 0.00 H new ATOM 834 N LYS B 21 -3.458 -2.374 1.378 1.00 0.00 N ATOM 835 CA LYS B 21 -3.299 -3.091 2.641 1.00 0.00 C ATOM 836 C LYS B 21 -4.368 -4.169 2.786 1.00 0.00 C ATOM 837 O LYS B 21 -4.078 -5.307 3.157 1.00 0.00 O ATOM 838 CB LYS B 21 -3.405 -2.124 3.821 1.00 0.00 C ATOM 839 CG LYS B 21 -3.006 -2.842 5.114 1.00 0.00 C ATOM 840 CD LYS B 21 -1.539 -2.544 5.439 1.00 0.00 C ATOM 841 CE LYS B 21 -0.655 -3.686 4.933 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.364 -4.623 6.056 1.00 0.00 N ATOM 0 H LYS B 21 -3.845 -1.435 1.468 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.314 -3.557 2.639 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.757 -1.263 3.657 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.424 -1.746 3.903 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.644 -2.515 5.935 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.153 -3.916 5.005 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.237 -1.605 4.975 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.412 -2.423 6.515 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.156 -4.216 4.123 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.275 -3.288 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.237 -5.400 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.130 -4.112 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.256 -5.012 6.424 1.00 0.00 H new ATOM 856 N ARG B 22 -5.612 -3.798 2.495 1.00 0.00 N ATOM 857 CA ARG B 22 -6.723 -4.742 2.601 1.00 0.00 C ATOM 858 C ARG B 22 -6.521 -5.921 1.654 1.00 0.00 C ATOM 859 O ARG B 22 -6.840 -7.063 1.984 1.00 0.00 O ATOM 860 CB ARG B 22 -8.046 -4.052 2.262 1.00 0.00 C ATOM 861 CG ARG B 22 -9.212 -4.964 2.649 1.00 0.00 C ATOM 862 CD ARG B 22 -10.389 -4.113 3.130 1.00 0.00 C ATOM 863 NE ARG B 22 -11.311 -4.916 3.938 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.528 -4.470 4.281 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.950 -3.287 3.908 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.307 -5.230 5.002 1.00 0.00 N ATOM 0 H ARG B 22 -5.875 -2.862 2.187 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.754 -5.106 3.628 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.120 -3.104 2.794 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.087 -3.824 1.197 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.513 -5.570 1.794 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.903 -5.653 3.435 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.020 -3.272 3.717 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.917 -3.696 2.273 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.018 -5.842 4.249 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.349 -2.685 3.345 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.880 -2.968 4.180 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.988 -6.152 5.298 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -14.235 -4.901 5.269 1.00 0.00 H new ATOM 880 N GLN B 23 -5.988 -5.630 0.471 1.00 0.00 N ATOM 881 CA GLN B 23 -5.748 -6.674 -0.523 1.00 0.00 C ATOM 882 C GLN B 23 -4.684 -7.648 -0.026 1.00 0.00 C ATOM 883 O GLN B 23 -4.860 -8.866 -0.091 1.00 0.00 O ATOM 884 CB GLN B 23 -5.283 -6.057 -1.844 1.00 0.00 C ATOM 885 CG GLN B 23 -5.231 -7.139 -2.926 1.00 0.00 C ATOM 886 CD GLN B 23 -6.641 -7.649 -3.209 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.436 -6.967 -3.854 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.998 -8.821 -2.759 1.00 0.00 N ATOM 0 H GLN B 23 -5.716 -4.691 0.178 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.684 -7.210 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.964 -5.260 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.299 -5.605 -1.720 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -4.790 -6.735 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.594 -7.962 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.337 -9.385 -2.224 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.938 -9.173 -2.942 1.00 0.00 H new ATOM 897 N ASN B 24 -3.580 -7.099 0.469 1.00 0.00 N ATOM 898 CA ASN B 24 -2.487 -7.926 0.974 1.00 0.00 C ATOM 899 C ASN B 24 -2.863 -8.565 2.309 1.00 0.00 C ATOM 900 O ASN B 24 -2.398 -9.653 2.645 1.00 0.00 O ATOM 901 CB ASN B 24 -1.224 -7.085 1.164 1.00 0.00 C ATOM 902 CG ASN B 24 -0.479 -6.978 -0.163 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.613 -7.843 -1.029 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.306 -5.958 -0.375 1.00 0.00 N ATOM 0 H ASN B 24 -3.417 -6.094 0.532 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.298 -8.710 0.241 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.487 -6.091 1.527 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.582 -7.540 1.918 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.809 -5.877 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.417 -5.242 0.343 1.00 0.00 H new ATOM 911 N ALA B 25 -3.708 -7.872 3.071 1.00 0.00 N ATOM 912 CA ALA B 25 -4.137 -8.378 4.372 1.00 0.00 C ATOM 913 C ALA B 25 -4.850 -9.720 4.222 1.00 0.00 C ATOM 914 O ALA B 25 -4.392 -10.742 4.731 1.00 0.00 O ATOM 915 CB ALA B 25 -5.084 -7.384 5.047 1.00 0.00 C ATOM 0 H ALA B 25 -4.105 -6.969 2.813 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.247 -8.510 4.987 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.394 -7.777 6.015 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.572 -6.432 5.189 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.962 -7.234 4.419 1.00 0.00 H new ATOM 921 N LEU B 26 -5.981 -9.702 3.521 1.00 0.00 N ATOM 922 CA LEU B 26 -6.755 -10.923 3.312 1.00 0.00 C ATOM 923 C LEU B 26 -5.929 -11.965 2.562 1.00 0.00 C ATOM 924 O LEU B 26 -6.097 -13.168 2.758 1.00 0.00 O ATOM 925 CB LEU B 26 -8.027 -10.623 2.512 1.00 0.00 C ATOM 926 CG LEU B 26 -7.658 -9.935 1.192 1.00 0.00 C ATOM 927 CD1 LEU B 26 -7.636 -10.968 0.063 1.00 0.00 C ATOM 928 CD2 LEU B 26 -8.695 -8.857 0.870 1.00 0.00 C ATOM 0 H LEU B 26 -6.378 -8.866 3.093 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.026 -11.316 4.292 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.569 -11.547 2.312 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.691 -9.983 3.093 1.00 0.00 H new ATOM 0 HG LEU B 26 -6.673 -9.478 1.287 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -7.374 -10.477 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -6.898 -11.738 0.289 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.621 -11.426 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.432 -8.368 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.680 -9.315 0.777 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.713 -8.118 1.671 1.00 0.00 H new ATOM 940 N LEU B 27 -5.034 -11.488 1.701 1.00 0.00 N ATOM 941 CA LEU B 27 -4.185 -12.388 0.926 1.00 0.00 C ATOM 942 C LEU B 27 -3.158 -13.064 1.829 1.00 0.00 C ATOM 943 O LEU B 27 -3.045 -14.289 1.856 1.00 0.00 O ATOM 944 CB LEU B 27 -3.451 -11.620 -0.176 1.00 0.00 C ATOM 945 CG LEU B 27 -4.408 -11.348 -1.336 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.799 -10.298 -2.267 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.644 -12.644 -2.118 1.00 0.00 C ATOM 0 H LEU B 27 -4.879 -10.496 1.523 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.826 -13.145 0.474 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.064 -10.680 0.218 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.594 -12.196 -0.526 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.356 -10.980 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.482 -10.105 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.630 -9.375 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.850 -10.665 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.327 -12.450 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.695 -13.011 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.079 -13.394 -1.457 1.00 0.00 H new ATOM 959 N GLU B 28 -2.410 -12.249 2.570 1.00 0.00 N ATOM 960 CA GLU B 28 -1.387 -12.772 3.477 1.00 0.00 C ATOM 961 C GLU B 28 -2.005 -13.737 4.488 1.00 0.00 C ATOM 962 O GLU B 28 -1.463 -14.809 4.756 1.00 0.00 O ATOM 963 CB GLU B 28 -0.710 -11.622 4.230 1.00 0.00 C ATOM 964 CG GLU B 28 0.456 -12.164 5.062 1.00 0.00 C ATOM 965 CD GLU B 28 1.595 -11.150 5.072 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.356 -11.135 4.119 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.688 -10.404 6.031 1.00 0.00 O ATOM 0 H GLU B 28 -2.491 -11.232 2.562 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.647 -13.305 2.880 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.349 -10.875 3.523 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.431 -11.125 4.878 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.126 -12.365 6.081 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.802 -13.111 4.647 1.00 0.00 H new ATOM 974 N GLN B 29 -3.147 -13.342 5.046 1.00 0.00 N ATOM 975 CA GLN B 29 -3.840 -14.177 6.030 1.00 0.00 C ATOM 976 C GLN B 29 -4.137 -15.561 5.454 1.00 0.00 C ATOM 977 O GLN B 29 -4.160 -16.559 6.174 1.00 0.00 O ATOM 978 CB GLN B 29 -5.157 -13.518 6.457 1.00 0.00 C ATOM 979 CG GLN B 29 -4.931 -12.693 7.727 1.00 0.00 C ATOM 980 CD GLN B 29 -4.002 -11.525 7.419 1.00 0.00 C ATOM 981 OE1 GLN B 29 -4.456 -10.404 7.197 1.00 0.00 O ATOM 982 NE2 GLN B 29 -2.712 -11.722 7.394 1.00 0.00 N ATOM 0 H GLN B 29 -3.611 -12.458 4.838 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.187 -14.283 6.897 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.531 -12.878 5.658 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.915 -14.280 6.637 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.883 -12.323 8.107 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -4.498 -13.319 8.507 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -2.334 -12.651 7.578 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -2.082 -10.946 7.190 1.00 0.00 H new ATOM 991 N GLN B 30 -4.358 -15.608 4.143 1.00 0.00 N ATOM 992 CA GLN B 30 -4.645 -16.875 3.474 1.00 0.00 C ATOM 993 C GLN B 30 -3.347 -17.559 3.063 1.00 0.00 C ATOM 994 O GLN B 30 -3.242 -18.786 3.074 1.00 0.00 O ATOM 995 CB GLN B 30 -5.502 -16.640 2.228 1.00 0.00 C ATOM 996 CG GLN B 30 -6.377 -17.870 1.971 1.00 0.00 C ATOM 997 CD GLN B 30 -7.736 -17.676 2.635 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.255 -16.561 2.686 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.349 -18.706 3.150 1.00 0.00 N ATOM 0 H GLN B 30 -4.344 -14.794 3.528 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.189 -17.512 4.171 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.127 -15.758 2.365 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.864 -16.448 1.366 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.503 -18.022 0.899 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -5.892 -18.763 2.365 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.918 -19.630 3.107 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.259 -18.588 3.595 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.356 -16.747 2.704 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.058 -17.274 2.292 1.00 0.00 C ATOM 1010 C VAL B 31 -0.311 -17.840 3.498 1.00 0.00 C ATOM 1011 O VAL B 31 0.442 -18.808 3.383 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.219 -16.163 1.644 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.112 -16.735 1.144 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.990 -15.566 0.460 1.00 0.00 C ATOM 0 H VAL B 31 -2.425 -15.729 2.690 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.222 -18.071 1.567 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.021 -15.388 2.385 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.700 -15.940 0.686 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.664 -17.158 1.983 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.919 -17.514 0.407 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.395 -14.777 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.190 -16.346 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.934 -15.150 0.813 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.528 -17.226 4.659 1.00 0.00 N ATOM 1025 CA ARG B 32 0.129 -17.675 5.883 1.00 0.00 C ATOM 1026 C ARG B 32 -0.350 -19.073 6.262 1.00 0.00 C ATOM 1027 O ARG B 32 0.448 -19.945 6.611 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.170 -16.715 7.036 1.00 0.00 C ATOM 1029 CG ARG B 32 1.025 -16.676 7.990 1.00 0.00 C ATOM 1030 CD ARG B 32 2.015 -15.607 7.526 1.00 0.00 C ATOM 1031 NE ARG B 32 1.662 -14.298 8.080 1.00 0.00 N ATOM 1032 CZ ARG B 32 1.839 -14.002 9.375 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.340 -14.878 10.211 1.00 0.00 N ATOM 1034 NH2 ARG B 32 1.504 -12.818 9.812 1.00 0.00 N ATOM 0 H ARG B 32 -1.147 -16.424 4.777 1.00 0.00 H new ATOM 0 HA ARG B 32 1.203 -17.696 5.700 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.372 -15.716 6.649 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.064 -17.037 7.569 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.688 -16.459 9.003 1.00 0.00 H new ATOM 0 HG3 ARG B 32 1.513 -17.650 8.019 1.00 0.00 H new ATOM 0 HD2 ARG B 32 3.024 -15.879 7.837 1.00 0.00 H new ATOM 0 HD3 ARG B 32 2.020 -15.557 6.437 1.00 0.00 H new ATOM 0 HE ARG B 32 1.269 -13.589 7.461 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.604 -15.806 9.880 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.466 -14.632 11.193 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.112 -12.129 9.170 1.00 0.00 H new ATOM 0 HH22 ARG B 32 1.634 -12.582 10.796 1.00 0.00 H new ATOM 1048 N ALA B 33 -1.662 -19.276 6.191 1.00 0.00 N ATOM 1049 CA ALA B 33 -2.242 -20.572 6.530 1.00 0.00 C ATOM 1050 C ALA B 33 -1.722 -21.651 5.585 1.00 0.00 C ATOM 1051 O ALA B 33 -1.237 -22.696 6.019 1.00 0.00 O ATOM 1052 CB ALA B 33 -3.769 -20.518 6.431 1.00 0.00 C ATOM 0 H ALA B 33 -2.338 -18.568 5.905 1.00 0.00 H new ATOM 0 HA ALA B 33 -1.953 -20.813 7.553 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -4.185 -21.492 6.687 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.152 -19.767 7.122 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.059 -20.256 5.413 1.00 0.00 H new ATOM 1058 N LEU B 34 -1.831 -21.386 4.286 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.369 -22.341 3.283 1.00 0.00 C ATOM 1060 C LEU B 34 0.072 -22.039 2.883 1.00 0.00 C ATOM 1061 O LEU B 34 1.003 -22.716 3.318 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.256 -22.281 2.038 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.399 -23.287 2.175 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.492 -22.698 3.070 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.981 -23.588 0.792 1.00 0.00 C ATOM 0 H LEU B 34 -2.231 -20.528 3.906 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.423 -23.339 3.718 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.656 -21.275 1.912 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.667 -22.503 1.148 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.022 -24.208 2.620 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.307 -23.415 3.168 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.078 -22.482 4.055 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.870 -21.777 2.625 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.796 -24.305 0.888 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.359 -22.667 0.348 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.203 -24.006 0.153 1.00 0.00 H new