USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 664 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 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0138) USER MOD Single : A 25 SER OG : rot 119:sc= 0.445 USER MOD Single : A 30 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-3.9!) USER MOD Single : A 35 GLN : amide:sc= -1.65 K(o=-1.6,f=-4.3!) USER MOD Single : A 39 SER OG : rot 86:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= -7.05! C(o=-7.1!,f=-3.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -163:sc= -0.0759 (180deg=-0.368) USER MOD Single : B 25 SER OG : rot 51:sc= 0.877 USER MOD Single : B 30 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-6!) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN : amide:sc= -2! K(o=-2!,f=-0.071) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 9.123 8.686 0.132 1.00 0.00 N ATOM 67 CA ALA A 7 9.950 8.405 1.297 1.00 0.00 C ATOM 68 C ALA A 7 9.681 9.387 2.418 1.00 0.00 C ATOM 69 O ALA A 7 10.586 9.789 3.148 1.00 0.00 O ATOM 70 CB ALA A 7 11.418 8.411 0.918 1.00 0.00 C ATOM 0 HA ALA A 7 9.688 7.411 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.022 8.199 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.601 7.649 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.687 9.389 0.520 1.00 0.00 H new ATOM 76 N VAL A 8 8.416 9.731 2.565 1.00 0.00 N ATOM 77 CA VAL A 8 7.979 10.621 3.616 1.00 0.00 C ATOM 78 C VAL A 8 7.798 9.809 4.883 1.00 0.00 C ATOM 79 O VAL A 8 6.734 9.790 5.497 1.00 0.00 O ATOM 80 CB VAL A 8 6.678 11.354 3.238 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.545 10.367 3.004 1.00 0.00 C ATOM 82 CG2 VAL A 8 6.308 12.379 4.299 1.00 0.00 C ATOM 0 H VAL A 8 7.665 9.400 1.959 1.00 0.00 H new ATOM 0 HA VAL A 8 8.734 11.392 3.772 1.00 0.00 H new ATOM 0 HB VAL A 8 6.848 11.888 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.638 10.910 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.813 9.691 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.370 9.791 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.386 12.884 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.163 11.877 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.110 13.112 4.392 1.00 0.00 H new ATOM 92 N ASP A 9 8.859 9.082 5.212 1.00 0.00 N ATOM 93 CA ASP A 9 8.877 8.176 6.346 1.00 0.00 C ATOM 94 C ASP A 9 8.187 6.896 5.913 1.00 0.00 C ATOM 95 O ASP A 9 8.123 5.913 6.646 1.00 0.00 O ATOM 96 CB ASP A 9 8.197 8.794 7.576 1.00 0.00 C ATOM 97 CG ASP A 9 8.379 7.964 8.834 1.00 0.00 C ATOM 98 OD1 ASP A 9 7.855 6.832 8.885 1.00 0.00 O ATOM 99 OD2 ASP A 9 9.049 8.449 9.770 1.00 0.00 O ATOM 0 H ASP A 9 9.737 9.107 4.693 1.00 0.00 H new ATOM 0 HA ASP A 9 9.904 7.969 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.601 9.792 7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.132 8.911 7.375 1.00 0.00 H new ATOM 104 N ILE A 10 7.731 6.950 4.664 1.00 0.00 N ATOM 105 CA ILE A 10 7.068 5.874 3.965 1.00 0.00 C ATOM 106 C ILE A 10 5.787 5.375 4.639 1.00 0.00 C ATOM 107 O ILE A 10 4.785 5.154 3.961 1.00 0.00 O ATOM 108 CB ILE A 10 8.036 4.741 3.684 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.678 4.118 2.350 1.00 0.00 C ATOM 110 CG2 ILE A 10 8.024 3.721 4.802 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.683 5.120 1.203 1.00 0.00 C ATOM 0 H ILE A 10 7.823 7.790 4.092 1.00 0.00 H new ATOM 0 HA ILE A 10 6.733 6.295 3.017 1.00 0.00 H new ATOM 0 HB ILE A 10 9.053 5.130 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.384 3.317 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.691 3.662 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.728 2.921 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.314 4.202 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.022 3.305 4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.419 4.612 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.957 5.908 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.676 5.558 1.107 1.00 0.00 H new ATOM 123 N GLY A 11 5.789 5.227 5.955 1.00 0.00 N ATOM 124 CA GLY A 11 4.585 4.797 6.631 1.00 0.00 C ATOM 125 C GLY A 11 3.555 5.871 6.548 1.00 0.00 C ATOM 126 O GLY A 11 2.379 5.652 6.824 1.00 0.00 O ATOM 0 H GLY A 11 6.593 5.395 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.208 3.881 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.803 4.568 7.674 1.00 0.00 H new ATOM 130 N ASP A 12 4.010 7.036 6.132 1.00 0.00 N ATOM 131 CA ASP A 12 3.135 8.163 5.961 1.00 0.00 C ATOM 132 C ASP A 12 2.346 7.945 4.692 1.00 0.00 C ATOM 133 O ASP A 12 1.149 8.212 4.612 1.00 0.00 O ATOM 134 CB ASP A 12 3.954 9.445 5.859 1.00 0.00 C ATOM 135 CG ASP A 12 3.094 10.676 5.641 1.00 0.00 C ATOM 136 OD1 ASP A 12 1.852 10.541 5.621 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.661 11.780 5.499 1.00 0.00 O ATOM 0 H ASP A 12 4.988 7.221 5.907 1.00 0.00 H new ATOM 0 HA ASP A 12 2.461 8.258 6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.537 9.572 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.664 9.353 5.037 1.00 0.00 H new ATOM 142 N ARG A 13 3.054 7.408 3.718 1.00 0.00 N ATOM 143 CA ARG A 13 2.504 7.071 2.430 1.00 0.00 C ATOM 144 C ARG A 13 1.388 6.061 2.627 1.00 0.00 C ATOM 145 O ARG A 13 0.256 6.217 2.167 1.00 0.00 O ATOM 146 CB ARG A 13 3.632 6.431 1.640 1.00 0.00 C ATOM 147 CG ARG A 13 4.869 7.301 1.499 1.00 0.00 C ATOM 148 CD ARG A 13 4.712 8.340 0.411 1.00 0.00 C ATOM 149 NE ARG A 13 3.604 9.255 0.677 1.00 0.00 N ATOM 150 CZ ARG A 13 3.254 10.253 -0.131 1.00 0.00 C ATOM 151 NH1 ARG A 13 3.917 10.463 -1.260 1.00 0.00 N ATOM 152 NH2 ARG A 13 2.237 11.041 0.193 1.00 0.00 N ATOM 0 H ARG A 13 4.047 7.191 3.807 1.00 0.00 H new ATOM 0 HA ARG A 13 2.105 7.944 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.913 5.496 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.265 6.178 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.072 7.798 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.731 6.672 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.637 8.909 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.548 7.841 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 13 3.067 9.121 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.699 9.858 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.645 11.229 -1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.725 10.882 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.968 11.806 -0.425 1.00 0.00 H new ATOM 166 N LEU A 14 1.776 5.031 3.340 1.00 0.00 N ATOM 167 CA LEU A 14 0.949 3.904 3.711 1.00 0.00 C ATOM 168 C LEU A 14 -0.237 4.300 4.567 1.00 0.00 C ATOM 169 O LEU A 14 -1.379 3.964 4.262 1.00 0.00 O ATOM 170 CB LEU A 14 1.872 3.022 4.516 1.00 0.00 C ATOM 171 CG LEU A 14 2.821 2.172 3.691 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.151 2.060 4.400 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.224 0.800 3.435 1.00 0.00 C ATOM 0 H LEU A 14 2.728 4.951 3.697 1.00 0.00 H new ATOM 0 HA LEU A 14 0.528 3.425 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.459 3.650 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.269 2.364 5.142 1.00 0.00 H new ATOM 0 HG LEU A 14 2.980 2.651 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.830 1.449 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.578 3.054 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.005 1.596 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.919 0.206 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.039 0.301 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.285 0.907 2.893 1.00 0.00 H new ATOM 185 N ASP A 15 0.054 4.994 5.650 1.00 0.00 N ATOM 186 CA ASP A 15 -0.973 5.429 6.577 1.00 0.00 C ATOM 187 C ASP A 15 -2.102 6.089 5.815 1.00 0.00 C ATOM 188 O ASP A 15 -3.269 5.766 6.003 1.00 0.00 O ATOM 189 CB ASP A 15 -0.375 6.409 7.582 1.00 0.00 C ATOM 190 CG ASP A 15 -1.309 6.704 8.742 1.00 0.00 C ATOM 191 OD1 ASP A 15 -2.423 6.139 8.766 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.924 7.498 9.625 1.00 0.00 O ATOM 0 H ASP A 15 1.001 5.270 5.911 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.366 4.566 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.559 6.002 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.130 7.341 7.072 1.00 0.00 H new ATOM 197 N GLU A 16 -1.732 7.008 4.942 1.00 0.00 N ATOM 198 CA GLU A 16 -2.698 7.725 4.129 1.00 0.00 C ATOM 199 C GLU A 16 -3.459 6.778 3.209 1.00 0.00 C ATOM 200 O GLU A 16 -4.593 7.048 2.817 1.00 0.00 O ATOM 201 CB GLU A 16 -1.999 8.800 3.301 1.00 0.00 C ATOM 202 CG GLU A 16 -1.248 9.813 4.144 1.00 0.00 C ATOM 203 CD GLU A 16 -0.655 10.937 3.317 1.00 0.00 C ATOM 204 OE1 GLU A 16 -1.428 11.661 2.656 1.00 0.00 O ATOM 205 OE2 GLU A 16 0.584 11.092 3.329 1.00 0.00 O ATOM 0 H GLU A 16 -0.762 7.277 4.777 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.414 8.197 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.302 8.322 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.740 9.321 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.924 10.233 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.450 9.307 4.688 1.00 0.00 H new ATOM 212 N LEU A 17 -2.812 5.676 2.863 1.00 0.00 N ATOM 213 CA LEU A 17 -3.394 4.678 1.980 1.00 0.00 C ATOM 214 C LEU A 17 -4.467 3.881 2.685 1.00 0.00 C ATOM 215 O LEU A 17 -5.555 3.666 2.158 1.00 0.00 O ATOM 216 CB LEU A 17 -2.305 3.721 1.487 1.00 0.00 C ATOM 217 CG LEU A 17 -2.775 2.697 0.453 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.559 3.376 -0.653 1.00 0.00 C ATOM 219 CD2 LEU A 17 -1.591 1.948 -0.123 1.00 0.00 C ATOM 0 H LEU A 17 -1.871 5.449 3.185 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.844 5.201 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.494 4.307 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.893 3.189 2.344 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.431 1.982 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.885 2.631 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.431 3.874 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.926 4.112 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.942 1.223 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.913 2.653 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.065 1.428 0.678 1.00 0.00 H new ATOM 231 N GLU A 18 -4.134 3.449 3.876 1.00 0.00 N ATOM 232 CA GLU A 18 -5.041 2.667 4.695 1.00 0.00 C ATOM 233 C GLU A 18 -6.217 3.505 5.095 1.00 0.00 C ATOM 234 O GLU A 18 -7.357 3.057 5.055 1.00 0.00 O ATOM 235 CB GLU A 18 -4.319 2.152 5.937 1.00 0.00 C ATOM 236 CG GLU A 18 -5.214 1.373 6.882 1.00 0.00 C ATOM 237 CD GLU A 18 -4.458 0.811 8.070 1.00 0.00 C ATOM 238 OE1 GLU A 18 -3.889 1.612 8.843 1.00 0.00 O ATOM 239 OE2 GLU A 18 -4.435 -0.427 8.228 1.00 0.00 O ATOM 0 H GLU A 18 -3.228 3.627 4.309 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.393 1.813 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.491 1.515 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.888 2.998 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.013 2.023 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.687 0.556 6.338 1.00 0.00 H new ATOM 246 N LYS A 19 -5.929 4.726 5.471 1.00 0.00 N ATOM 247 CA LYS A 19 -6.959 5.637 5.867 1.00 0.00 C ATOM 248 C LYS A 19 -7.875 5.898 4.693 1.00 0.00 C ATOM 249 O LYS A 19 -9.095 5.974 4.837 1.00 0.00 O ATOM 250 CB LYS A 19 -6.330 6.909 6.378 1.00 0.00 C ATOM 251 CG LYS A 19 -5.381 6.615 7.507 1.00 0.00 C ATOM 252 CD LYS A 19 -6.111 6.423 8.827 1.00 0.00 C ATOM 253 CE LYS A 19 -6.987 7.617 9.168 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.189 8.853 9.386 1.00 0.00 N ATOM 0 H LYS A 19 -4.984 5.108 5.509 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.557 5.210 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.797 7.408 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.107 7.594 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.808 5.717 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.667 7.433 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.726 5.525 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.385 6.266 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.701 7.784 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.566 7.397 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.821 9.630 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.491 8.687 10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.696 9.108 8.506 1.00 0.00 H new ATOM 268 N ALA A 20 -7.265 5.993 3.519 1.00 0.00 N ATOM 269 CA ALA A 20 -8.010 6.199 2.294 1.00 0.00 C ATOM 270 C ALA A 20 -8.900 5.021 2.048 1.00 0.00 C ATOM 271 O ALA A 20 -10.084 5.141 1.741 1.00 0.00 O ATOM 272 CB ALA A 20 -7.059 6.322 1.126 1.00 0.00 C ATOM 0 H ALA A 20 -6.255 5.930 3.394 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.600 7.110 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.627 6.477 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.392 7.169 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.470 5.409 1.038 1.00 0.00 H new ATOM 278 N LEU A 21 -8.283 3.883 2.186 1.00 0.00 N ATOM 279 CA LEU A 21 -8.920 2.628 1.999 1.00 0.00 C ATOM 280 C LEU A 21 -10.088 2.481 2.932 1.00 0.00 C ATOM 281 O LEU A 21 -11.169 2.051 2.536 1.00 0.00 O ATOM 282 CB LEU A 21 -7.892 1.568 2.244 1.00 0.00 C ATOM 283 CG LEU A 21 -7.743 0.573 1.147 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.738 0.849 0.071 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.367 0.625 0.581 1.00 0.00 C ATOM 0 H LEU A 21 -7.297 3.809 2.438 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.315 2.542 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.928 2.049 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.148 1.039 3.162 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.919 -0.422 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.622 0.117 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.746 0.782 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.574 1.850 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.275 -0.109 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.174 1.622 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.643 0.400 1.364 1.00 0.00 H new ATOM 297 N GLU A 22 -9.862 2.865 4.169 1.00 0.00 N ATOM 298 CA GLU A 22 -10.896 2.815 5.173 1.00 0.00 C ATOM 299 C GLU A 22 -12.154 3.434 4.620 1.00 0.00 C ATOM 300 O GLU A 22 -13.270 3.048 4.966 1.00 0.00 O ATOM 301 CB GLU A 22 -10.462 3.550 6.440 1.00 0.00 C ATOM 302 CG GLU A 22 -9.379 2.833 7.227 1.00 0.00 C ATOM 303 CD GLU A 22 -9.021 3.555 8.510 1.00 0.00 C ATOM 304 OE1 GLU A 22 -8.615 4.733 8.434 1.00 0.00 O ATOM 305 OE2 GLU A 22 -9.147 2.942 9.591 1.00 0.00 O ATOM 0 H GLU A 22 -8.965 3.217 4.503 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.083 1.774 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.103 4.542 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.331 3.691 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.714 1.823 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.488 2.736 6.607 1.00 0.00 H new ATOM 312 N ALA A 23 -11.951 4.382 3.730 1.00 0.00 N ATOM 313 CA ALA A 23 -13.046 5.052 3.081 1.00 0.00 C ATOM 314 C ALA A 23 -13.628 4.145 2.013 1.00 0.00 C ATOM 315 O ALA A 23 -14.841 3.979 1.919 1.00 0.00 O ATOM 316 CB ALA A 23 -12.587 6.370 2.482 1.00 0.00 C ATOM 0 H ALA A 23 -11.028 4.705 3.441 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.819 5.275 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.430 6.862 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.198 7.013 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.803 6.183 1.748 1.00 0.00 H new ATOM 322 N LEU A 24 -12.741 3.562 1.208 1.00 0.00 N ATOM 323 CA LEU A 24 -13.152 2.662 0.133 1.00 0.00 C ATOM 324 C LEU A 24 -13.334 1.225 0.597 1.00 0.00 C ATOM 325 O LEU A 24 -13.402 0.314 -0.225 1.00 0.00 O ATOM 326 CB LEU A 24 -12.166 2.707 -1.018 1.00 0.00 C ATOM 327 CG LEU A 24 -12.271 3.969 -1.846 1.00 0.00 C ATOM 328 CD1 LEU A 24 -11.601 5.097 -1.106 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.682 3.771 -3.222 1.00 0.00 C ATOM 0 H LEU A 24 -11.733 3.697 1.280 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.125 3.020 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.153 2.623 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.330 1.843 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.321 4.220 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.672 6.011 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.094 5.245 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.552 4.852 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.772 4.695 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.630 3.502 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.218 2.973 -3.736 1.00 0.00 H new ATOM 341 N SER A 25 -13.397 1.029 1.905 1.00 0.00 N ATOM 342 CA SER A 25 -13.554 -0.304 2.483 1.00 0.00 C ATOM 343 C SER A 25 -14.639 -1.110 1.772 1.00 0.00 C ATOM 344 O SER A 25 -15.793 -1.133 2.205 1.00 0.00 O ATOM 345 CB SER A 25 -13.887 -0.196 3.970 1.00 0.00 C ATOM 346 OG SER A 25 -12.867 0.484 4.676 1.00 0.00 O ATOM 0 H SER A 25 -13.342 1.780 2.593 1.00 0.00 H new ATOM 0 HA SER A 25 -12.607 -0.829 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.833 0.331 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.019 -1.194 4.389 1.00 0.00 H new ATOM 0 HG SER A 25 -13.236 1.294 5.085 1.00 0.00 H new ATOM 352 N ALA A 26 -14.258 -1.773 0.681 1.00 0.00 N ATOM 353 CA ALA A 26 -15.189 -2.589 -0.093 1.00 0.00 C ATOM 354 C ALA A 26 -16.439 -1.805 -0.448 1.00 0.00 C ATOM 355 O ALA A 26 -17.542 -2.347 -0.525 1.00 0.00 O ATOM 356 CB ALA A 26 -15.566 -3.812 0.695 1.00 0.00 C ATOM 0 H ALA A 26 -13.307 -1.760 0.313 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.696 -2.884 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.261 -4.419 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.671 -4.394 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.040 -3.511 1.629 1.00 0.00 H new ATOM 362 N GLU A 27 -16.243 -0.524 -0.635 1.00 0.00 N ATOM 363 CA GLU A 27 -17.316 0.404 -0.958 1.00 0.00 C ATOM 364 C GLU A 27 -18.043 0.056 -2.248 1.00 0.00 C ATOM 365 O GLU A 27 -19.259 0.225 -2.342 1.00 0.00 O ATOM 366 CB GLU A 27 -16.744 1.811 -1.021 1.00 0.00 C ATOM 367 CG GLU A 27 -16.473 2.368 0.358 1.00 0.00 C ATOM 368 CD GLU A 27 -17.742 2.696 1.122 1.00 0.00 C ATOM 369 OE1 GLU A 27 -18.842 2.497 0.563 1.00 0.00 O ATOM 370 OE2 GLU A 27 -17.635 3.151 2.280 1.00 0.00 O ATOM 0 H GLU A 27 -15.325 -0.083 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.066 0.334 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.819 1.802 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.441 2.464 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.888 1.646 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.866 3.269 0.268 1.00 0.00 H new ATOM 377 N ASP A 28 -17.309 -0.410 -3.247 1.00 0.00 N ATOM 378 CA ASP A 28 -17.923 -0.746 -4.521 1.00 0.00 C ATOM 379 C ASP A 28 -17.018 -1.625 -5.351 1.00 0.00 C ATOM 380 O ASP A 28 -16.737 -1.341 -6.516 1.00 0.00 O ATOM 381 CB ASP A 28 -18.238 0.529 -5.272 1.00 0.00 C ATOM 382 CG ASP A 28 -19.345 0.353 -6.295 1.00 0.00 C ATOM 383 OD1 ASP A 28 -19.173 -0.468 -7.219 1.00 0.00 O ATOM 384 OD2 ASP A 28 -20.384 1.035 -6.168 1.00 0.00 O ATOM 0 H ASP A 28 -16.301 -0.562 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.841 -1.301 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.527 1.302 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.337 0.880 -5.775 1.00 0.00 H new ATOM 389 N GLY A 29 -16.567 -2.688 -4.733 1.00 0.00 N ATOM 390 CA GLY A 29 -15.690 -3.615 -5.398 1.00 0.00 C ATOM 391 C GLY A 29 -14.412 -2.949 -5.832 1.00 0.00 C ATOM 392 O GLY A 29 -14.008 -3.056 -6.990 1.00 0.00 O ATOM 0 H GLY A 29 -16.794 -2.932 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.461 -4.444 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.195 -4.037 -6.267 1.00 0.00 H new ATOM 396 N HIS A 30 -13.779 -2.247 -4.898 1.00 0.00 N ATOM 397 CA HIS A 30 -12.540 -1.551 -5.185 1.00 0.00 C ATOM 398 C HIS A 30 -11.371 -2.522 -5.281 1.00 0.00 C ATOM 399 O HIS A 30 -10.301 -2.284 -4.723 1.00 0.00 O ATOM 400 CB HIS A 30 -12.262 -0.465 -4.141 1.00 0.00 C ATOM 401 CG HIS A 30 -13.132 0.747 -4.315 1.00 0.00 C ATOM 402 ND1 HIS A 30 -13.089 1.534 -5.446 1.00 0.00 N ATOM 403 CD2 HIS A 30 -14.071 1.305 -3.508 1.00 0.00 C ATOM 404 CE1 HIS A 30 -13.958 2.520 -5.330 1.00 0.00 C ATOM 405 NE2 HIS A 30 -14.567 2.404 -4.165 1.00 0.00 N ATOM 0 H HIS A 30 -14.107 -2.148 -3.937 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.652 -1.066 -6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.417 -0.878 -3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.215 -0.167 -4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.371 0.951 -2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.140 3.291 -6.064 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.290 3.030 -3.810 1.00 0.00 H new ATOM 414 N ASP A 31 -11.584 -3.613 -6.010 1.00 0.00 N ATOM 415 CA ASP A 31 -10.550 -4.621 -6.211 1.00 0.00 C ATOM 416 C ASP A 31 -9.315 -3.984 -6.841 1.00 0.00 C ATOM 417 O ASP A 31 -8.205 -4.505 -6.730 1.00 0.00 O ATOM 418 CB ASP A 31 -11.082 -5.747 -7.105 1.00 0.00 C ATOM 419 CG ASP A 31 -10.068 -6.853 -7.330 1.00 0.00 C ATOM 420 OD1 ASP A 31 -9.015 -6.581 -7.944 1.00 0.00 O ATOM 421 OD2 ASP A 31 -10.328 -7.993 -6.892 1.00 0.00 O ATOM 0 H ASP A 31 -12.468 -3.822 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.272 -5.042 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.979 -6.170 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.377 -5.330 -8.068 1.00 0.00 H new ATOM 426 N ASP A 32 -9.524 -2.841 -7.489 1.00 0.00 N ATOM 427 CA ASP A 32 -8.439 -2.107 -8.129 1.00 0.00 C ATOM 428 C ASP A 32 -7.464 -1.625 -7.088 1.00 0.00 C ATOM 429 O ASP A 32 -6.276 -1.457 -7.348 1.00 0.00 O ATOM 430 CB ASP A 32 -8.988 -0.929 -8.938 1.00 0.00 C ATOM 431 CG ASP A 32 -7.891 -0.090 -9.563 1.00 0.00 C ATOM 432 OD1 ASP A 32 -7.079 -0.649 -10.328 1.00 0.00 O ATOM 433 OD2 ASP A 32 -7.847 1.127 -9.290 1.00 0.00 O ATOM 0 H ASP A 32 -10.440 -2.402 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.920 -2.776 -8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.644 -1.306 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.597 -0.300 -8.289 1.00 0.00 H new ATOM 438 N VAL A 33 -7.979 -1.413 -5.902 1.00 0.00 N ATOM 439 CA VAL A 33 -7.170 -0.968 -4.808 1.00 0.00 C ATOM 440 C VAL A 33 -6.220 -2.067 -4.371 1.00 0.00 C ATOM 441 O VAL A 33 -5.028 -1.837 -4.186 1.00 0.00 O ATOM 442 CB VAL A 33 -8.046 -0.569 -3.635 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.193 -0.079 -2.483 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.045 0.481 -4.077 1.00 0.00 C ATOM 0 H VAL A 33 -8.965 -1.545 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.593 -0.105 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.601 -1.439 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.835 0.204 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.517 -0.874 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.612 0.786 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.672 0.765 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.512 1.358 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.670 0.076 -4.873 1.00 0.00 H new ATOM 454 N GLY A 34 -6.765 -3.268 -4.218 1.00 0.00 N ATOM 455 CA GLY A 34 -5.963 -4.403 -3.818 1.00 0.00 C ATOM 456 C GLY A 34 -4.981 -4.797 -4.891 1.00 0.00 C ATOM 457 O GLY A 34 -3.914 -5.326 -4.599 1.00 0.00 O ATOM 0 H GLY A 34 -7.753 -3.474 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.424 -4.163 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.614 -5.248 -3.593 1.00 0.00 H new ATOM 461 N GLN A 35 -5.346 -4.542 -6.143 1.00 0.00 N ATOM 462 CA GLN A 35 -4.481 -4.873 -7.260 1.00 0.00 C ATOM 463 C GLN A 35 -3.240 -4.002 -7.213 1.00 0.00 C ATOM 464 O GLN A 35 -2.131 -4.455 -7.494 1.00 0.00 O ATOM 465 CB GLN A 35 -5.229 -4.710 -8.588 1.00 0.00 C ATOM 466 CG GLN A 35 -5.090 -3.337 -9.226 1.00 0.00 C ATOM 467 CD GLN A 35 -5.789 -3.245 -10.567 1.00 0.00 C ATOM 468 OE1 GLN A 35 -6.993 -3.482 -10.671 1.00 0.00 O ATOM 469 NE2 GLN A 35 -5.037 -2.896 -11.605 1.00 0.00 N ATOM 0 H GLN A 35 -6.232 -4.109 -6.405 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.176 -5.917 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.866 -5.461 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.287 -4.914 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.502 -2.584 -8.553 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.033 -3.105 -9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.043 -2.708 -11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.454 -2.816 -12.533 1.00 0.00 H new ATOM 478 N ARG A 36 -3.441 -2.756 -6.816 1.00 0.00 N ATOM 479 CA ARG A 36 -2.362 -1.815 -6.679 1.00 0.00 C ATOM 480 C ARG A 36 -1.600 -2.145 -5.413 1.00 0.00 C ATOM 481 O ARG A 36 -0.374 -2.182 -5.396 1.00 0.00 O ATOM 482 CB ARG A 36 -2.901 -0.389 -6.616 1.00 0.00 C ATOM 483 CG ARG A 36 -3.717 0.001 -7.829 1.00 0.00 C ATOM 484 CD ARG A 36 -2.828 0.093 -9.045 1.00 0.00 C ATOM 485 NE ARG A 36 -3.580 0.363 -10.268 1.00 0.00 N ATOM 486 CZ ARG A 36 -3.019 0.493 -11.467 1.00 0.00 C ATOM 487 NH1 ARG A 36 -1.705 0.377 -11.603 1.00 0.00 N ATOM 488 NH2 ARG A 36 -3.772 0.736 -12.531 1.00 0.00 N ATOM 0 H ARG A 36 -4.359 -2.377 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.700 -1.884 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.517 -0.281 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.065 0.303 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.504 -0.734 -7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.207 0.959 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.091 0.882 -8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.277 -0.840 -9.160 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.593 0.457 -10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.123 0.188 -10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.277 0.477 -12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.783 0.824 -12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.340 0.835 -13.450 1.00 0.00 H new ATOM 502 N LEU A 37 -2.366 -2.411 -4.364 1.00 0.00 N ATOM 503 CA LEU A 37 -1.850 -2.770 -3.082 1.00 0.00 C ATOM 504 C LEU A 37 -0.936 -3.971 -3.165 1.00 0.00 C ATOM 505 O LEU A 37 0.145 -3.993 -2.575 1.00 0.00 O ATOM 506 CB LEU A 37 -3.034 -3.079 -2.205 1.00 0.00 C ATOM 507 CG LEU A 37 -3.493 -1.917 -1.395 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.753 -2.235 -0.610 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.377 -1.468 -0.474 1.00 0.00 C ATOM 0 H LEU A 37 -3.385 -2.378 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.256 -1.951 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.858 -3.425 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.776 -3.899 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.745 -1.104 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.053 -1.360 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.552 -2.507 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.560 -3.067 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.714 -0.617 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.102 -2.287 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.511 -1.176 -1.068 1.00 0.00 H new ATOM 521 N GLU A 38 -1.386 -4.973 -3.896 1.00 0.00 N ATOM 522 CA GLU A 38 -0.626 -6.187 -4.058 1.00 0.00 C ATOM 523 C GLU A 38 0.598 -5.912 -4.890 1.00 0.00 C ATOM 524 O GLU A 38 1.721 -6.227 -4.506 1.00 0.00 O ATOM 525 CB GLU A 38 -1.485 -7.254 -4.717 1.00 0.00 C ATOM 526 CG GLU A 38 -0.984 -8.668 -4.480 1.00 0.00 C ATOM 527 CD GLU A 38 -1.813 -9.710 -5.203 1.00 0.00 C ATOM 528 OE1 GLU A 38 -3.015 -9.837 -4.887 1.00 0.00 O ATOM 529 OE2 GLU A 38 -1.262 -10.396 -6.089 1.00 0.00 O ATOM 0 H GLU A 38 -2.280 -4.965 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.313 -6.549 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.505 -7.171 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.524 -7.066 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.053 -8.742 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.995 -8.879 -3.411 1.00 0.00 H new ATOM 536 N SER A 39 0.355 -5.287 -6.019 1.00 0.00 N ATOM 537 CA SER A 39 1.426 -4.911 -6.930 1.00 0.00 C ATOM 538 C SER A 39 2.511 -4.179 -6.158 1.00 0.00 C ATOM 539 O SER A 39 3.700 -4.398 -6.372 1.00 0.00 O ATOM 540 CB SER A 39 0.893 -4.027 -8.057 1.00 0.00 C ATOM 541 OG SER A 39 0.106 -4.775 -8.967 1.00 0.00 O ATOM 0 H SER A 39 -0.579 -5.024 -6.335 1.00 0.00 H new ATOM 0 HA SER A 39 1.843 -5.814 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.296 -3.217 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.727 -3.566 -8.587 1.00 0.00 H new ATOM 0 HG SER A 39 -0.818 -4.816 -8.643 1.00 0.00 H new ATOM 547 N LEU A 40 2.082 -3.323 -5.237 1.00 0.00 N ATOM 548 CA LEU A 40 2.983 -2.571 -4.406 1.00 0.00 C ATOM 549 C LEU A 40 3.968 -3.489 -3.719 1.00 0.00 C ATOM 550 O LEU A 40 5.180 -3.284 -3.787 1.00 0.00 O ATOM 551 CB LEU A 40 2.184 -1.805 -3.361 1.00 0.00 C ATOM 552 CG LEU A 40 1.469 -0.555 -3.873 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.941 0.271 -2.711 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.394 0.267 -4.748 1.00 0.00 C ATOM 0 H LEU A 40 1.096 -3.139 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 40 3.539 -1.873 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.442 -2.477 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.857 -1.514 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 40 0.619 -0.866 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.435 1.157 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.238 -0.326 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.771 0.575 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.867 1.153 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.267 0.571 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.714 -0.331 -5.601 1.00 0.00 H new ATOM 566 N LEU A 41 3.435 -4.497 -3.051 1.00 0.00 N ATOM 567 CA LEU A 41 4.258 -5.448 -2.335 1.00 0.00 C ATOM 568 C LEU A 41 4.999 -6.397 -3.243 1.00 0.00 C ATOM 569 O LEU A 41 6.207 -6.530 -3.149 1.00 0.00 O ATOM 570 CB LEU A 41 3.412 -6.249 -1.404 1.00 0.00 C ATOM 571 CG LEU A 41 3.343 -5.707 0.014 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.489 -6.616 0.866 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.734 -5.585 0.611 1.00 0.00 C ATOM 0 H LEU A 41 2.433 -4.676 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 41 4.999 -4.862 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.401 -6.303 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.796 -7.268 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 41 2.895 -4.714 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.442 -6.224 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.483 -6.666 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.925 -7.615 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.661 -5.195 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.208 -6.566 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.332 -4.906 0.004 1.00 0.00 H new ATOM 585 N ARG A 42 4.280 -7.083 -4.109 1.00 0.00 N ATOM 586 CA ARG A 42 4.920 -8.029 -4.998 1.00 0.00 C ATOM 587 C ARG A 42 6.138 -7.378 -5.624 1.00 0.00 C ATOM 588 O ARG A 42 7.115 -8.044 -5.969 1.00 0.00 O ATOM 589 CB ARG A 42 3.949 -8.515 -6.076 1.00 0.00 C ATOM 590 CG ARG A 42 4.563 -9.501 -7.058 1.00 0.00 C ATOM 591 CD ARG A 42 4.938 -10.807 -6.377 1.00 0.00 C ATOM 592 NE ARG A 42 3.780 -11.466 -5.778 1.00 0.00 N ATOM 593 CZ ARG A 42 2.733 -11.900 -6.475 1.00 0.00 C ATOM 594 NH1 ARG A 42 2.702 -11.764 -7.794 1.00 0.00 N ATOM 595 NH2 ARG A 42 1.714 -12.475 -5.850 1.00 0.00 N ATOM 0 H ARG A 42 3.269 -7.005 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 42 5.232 -8.902 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.091 -8.984 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.573 -7.654 -6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.857 -9.700 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.450 -9.059 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.399 -11.475 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.683 -10.612 -5.606 1.00 0.00 H new ATOM 0 HE ARG A 42 3.774 -11.601 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.484 -11.325 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.896 -12.099 -8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.734 -12.584 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.911 -12.808 -6.383 1.00 0.00 H new ATOM 609 N ARG A 43 6.083 -6.057 -5.722 1.00 0.00 N ATOM 610 CA ARG A 43 7.181 -5.287 -6.247 1.00 0.00 C ATOM 611 C ARG A 43 8.105 -4.899 -5.104 1.00 0.00 C ATOM 612 O ARG A 43 9.323 -4.848 -5.260 1.00 0.00 O ATOM 613 CB ARG A 43 6.688 -4.043 -6.989 1.00 0.00 C ATOM 614 CG ARG A 43 5.841 -4.357 -8.214 1.00 0.00 C ATOM 615 CD ARG A 43 6.594 -5.216 -9.215 1.00 0.00 C ATOM 616 NE ARG A 43 7.814 -4.568 -9.690 1.00 0.00 N ATOM 617 CZ ARG A 43 8.647 -5.117 -10.570 1.00 0.00 C ATOM 618 NH1 ARG A 43 8.393 -6.319 -11.067 1.00 0.00 N ATOM 619 NH2 ARG A 43 9.736 -4.463 -10.952 1.00 0.00 N ATOM 0 H ARG A 43 5.277 -5.500 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 43 7.726 -5.896 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.105 -3.429 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.549 -3.449 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.931 -4.872 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.534 -3.427 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.847 -6.171 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.946 -5.434 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 43 8.040 -3.642 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.557 -6.825 -10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.033 -6.738 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.935 -3.538 -10.571 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.374 -4.885 -11.627 1.00 0.00 H new ATOM 633 N TRP A 44 7.502 -4.642 -3.944 1.00 0.00 N ATOM 634 CA TRP A 44 8.238 -4.278 -2.757 1.00 0.00 C ATOM 635 C TRP A 44 9.029 -5.470 -2.223 1.00 0.00 C ATOM 636 O TRP A 44 10.254 -5.414 -2.106 1.00 0.00 O ATOM 637 CB TRP A 44 7.275 -3.786 -1.691 1.00 0.00 C ATOM 638 CG TRP A 44 7.976 -3.435 -0.431 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.765 -4.013 0.768 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.006 -2.454 -0.240 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.580 -3.450 1.720 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.358 -2.495 1.120 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.667 -1.539 -1.074 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.334 -1.668 1.659 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.632 -0.720 -0.517 1.00 0.00 C ATOM 646 CH2 TRP A 44 10.953 -0.792 0.826 1.00 0.00 C ATOM 0 H TRP A 44 6.491 -4.683 -3.811 1.00 0.00 H new ATOM 0 HA TRP A 44 8.939 -3.484 -3.014 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.737 -2.914 -2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.531 -4.557 -1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.056 -4.806 0.954 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.602 -3.701 2.708 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.428 -1.476 -2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.593 -1.720 2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.147 -0.008 -1.145 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.714 -0.136 1.222 1.00 0.00 H new ATOM 657 N ASN A 45 8.315 -6.546 -1.901 1.00 0.00 N ATOM 658 CA ASN A 45 8.929 -7.756 -1.381 1.00 0.00 C ATOM 659 C ASN A 45 10.006 -8.290 -2.312 1.00 0.00 C ATOM 660 O ASN A 45 11.019 -8.831 -1.869 1.00 0.00 O ATOM 661 CB ASN A 45 7.845 -8.805 -1.156 1.00 0.00 C ATOM 662 CG ASN A 45 7.000 -8.512 0.055 1.00 0.00 C ATOM 663 OD1 ASN A 45 7.473 -8.559 1.190 1.00 0.00 O ATOM 664 ND2 ASN A 45 5.739 -8.189 -0.186 1.00 0.00 N ATOM 0 H ASN A 45 7.301 -6.600 -1.994 1.00 0.00 H new ATOM 0 HA ASN A 45 9.417 -7.519 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.205 -8.856 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.310 -9.784 -1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.113 -7.965 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.393 -8.164 -1.145 1.00 0.00 H new ATOM 671 N SER A 46 9.774 -8.134 -3.599 1.00 0.00 N ATOM 672 CA SER A 46 10.714 -8.596 -4.616 1.00 0.00 C ATOM 673 C SER A 46 12.029 -7.831 -4.542 1.00 0.00 C ATOM 674 O SER A 46 13.107 -8.425 -4.574 1.00 0.00 O ATOM 675 CB SER A 46 10.106 -8.436 -6.004 1.00 0.00 C ATOM 676 OG SER A 46 10.998 -8.885 -7.009 1.00 0.00 O ATOM 0 H SER A 46 8.937 -7.688 -3.974 1.00 0.00 H new ATOM 0 HA SER A 46 10.919 -9.650 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.174 -8.999 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.857 -7.389 -6.176 1.00 0.00 H new ATOM 0 HG SER A 46 10.582 -8.772 -7.889 1.00 0.00 H new ATOM 682 N ARG A 47 11.932 -6.510 -4.448 1.00 0.00 N ATOM 683 CA ARG A 47 13.114 -5.661 -4.373 1.00 0.00 C ATOM 684 C ARG A 47 13.963 -6.035 -3.172 1.00 0.00 C ATOM 685 O ARG A 47 15.192 -6.001 -3.232 1.00 0.00 O ATOM 686 CB ARG A 47 12.701 -4.198 -4.300 1.00 0.00 C ATOM 687 CG ARG A 47 11.993 -3.718 -5.553 1.00 0.00 C ATOM 688 CD ARG A 47 11.315 -2.387 -5.318 1.00 0.00 C ATOM 689 NE ARG A 47 10.653 -1.883 -6.517 1.00 0.00 N ATOM 690 CZ ARG A 47 9.998 -0.726 -6.566 1.00 0.00 C ATOM 691 NH1 ARG A 47 9.923 0.043 -5.488 1.00 0.00 N ATOM 692 NH2 ARG A 47 9.420 -0.338 -7.694 1.00 0.00 N ATOM 0 H ARG A 47 11.047 -6.004 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 47 13.711 -5.812 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.045 -4.054 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.586 -3.584 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.711 -3.625 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.254 -4.457 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.582 -2.491 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.054 -1.660 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 47 10.695 -2.449 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.368 -0.252 -4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.420 0.930 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.477 -0.927 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.918 0.549 -7.731 1.00 0.00 H new ATOM 706 N ARG A 48 13.298 -6.409 -2.087 1.00 0.00 N ATOM 707 CA ARG A 48 13.991 -6.813 -0.876 1.00 0.00 C ATOM 708 C ARG A 48 14.941 -7.955 -1.188 1.00 0.00 C ATOM 709 O ARG A 48 16.136 -7.895 -0.893 1.00 0.00 O ATOM 710 CB ARG A 48 12.981 -7.252 0.178 1.00 0.00 C ATOM 711 CG ARG A 48 12.098 -6.126 0.684 1.00 0.00 C ATOM 712 CD ARG A 48 11.125 -6.617 1.741 1.00 0.00 C ATOM 713 NE ARG A 48 11.812 -7.151 2.915 1.00 0.00 N ATOM 714 CZ ARG A 48 12.607 -6.428 3.702 1.00 0.00 C ATOM 715 NH1 ARG A 48 12.803 -5.140 3.452 1.00 0.00 N ATOM 716 NH2 ARG A 48 13.202 -6.994 4.743 1.00 0.00 N ATOM 0 H ARG A 48 12.280 -6.440 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 48 14.561 -5.968 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.350 -8.036 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.516 -7.689 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.720 -5.333 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.544 -5.693 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.475 -5.796 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.485 -7.389 1.314 1.00 0.00 H new ATOM 0 HE ARG A 48 11.675 -8.135 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.344 -4.700 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.413 -4.590 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.051 -7.983 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.811 -6.440 5.346 1.00 0.00 H new ATOM 730 N ALA A 49 14.389 -8.990 -1.802 1.00 0.00 N ATOM 731 CA ALA A 49 15.160 -10.162 -2.189 1.00 0.00 C ATOM 732 C ALA A 49 16.295 -9.784 -3.127 1.00 0.00 C ATOM 733 O ALA A 49 17.373 -10.377 -3.093 1.00 0.00 O ATOM 734 CB ALA A 49 14.252 -11.196 -2.840 1.00 0.00 C ATOM 0 H ALA A 49 13.400 -9.042 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 49 15.598 -10.595 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.840 -12.068 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.477 -11.496 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.788 -10.765 -3.727 1.00 0.00 H new ATOM 946 N ALA B 7 -9.549 8.637 0.648 1.00 0.00 N ATOM 947 CA ALA B 7 -10.448 8.372 -0.469 1.00 0.00 C ATOM 948 C ALA B 7 -10.158 9.309 -1.632 1.00 0.00 C ATOM 949 O ALA B 7 -11.065 9.712 -2.362 1.00 0.00 O ATOM 950 CB ALA B 7 -11.900 8.496 -0.034 1.00 0.00 C ATOM 0 HA ALA B 7 -10.276 7.349 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.553 8.294 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -12.105 7.778 0.760 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -12.085 9.505 0.334 1.00 0.00 H new ATOM 956 N VAL B 8 -8.884 9.641 -1.804 1.00 0.00 N ATOM 957 CA VAL B 8 -8.459 10.515 -2.885 1.00 0.00 C ATOM 958 C VAL B 8 -8.344 9.708 -4.178 1.00 0.00 C ATOM 959 O VAL B 8 -7.306 9.706 -4.841 1.00 0.00 O ATOM 960 CB VAL B 8 -7.114 11.200 -2.553 1.00 0.00 C ATOM 961 CG1 VAL B 8 -5.973 10.198 -2.529 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.827 12.328 -3.533 1.00 0.00 C ATOM 0 H VAL B 8 -8.126 9.315 -1.204 1.00 0.00 H new ATOM 0 HA VAL B 8 -9.205 11.299 -3.014 1.00 0.00 H new ATOM 0 HB VAL B 8 -7.196 11.628 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -5.042 10.713 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -6.171 9.439 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.886 9.722 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.876 12.796 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.777 11.927 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.623 13.071 -3.476 1.00 0.00 H new ATOM 972 N ASP B 9 -9.427 8.998 -4.500 1.00 0.00 N ATOM 973 CA ASP B 9 -9.486 8.141 -5.680 1.00 0.00 C ATOM 974 C ASP B 9 -8.861 6.786 -5.356 1.00 0.00 C ATOM 975 O ASP B 9 -9.009 5.834 -6.117 1.00 0.00 O ATOM 976 CB ASP B 9 -8.787 8.795 -6.882 1.00 0.00 C ATOM 977 CG ASP B 9 -8.936 7.998 -8.165 1.00 0.00 C ATOM 978 OD1 ASP B 9 -8.386 6.880 -8.241 1.00 0.00 O ATOM 979 OD2 ASP B 9 -9.606 8.494 -9.095 1.00 0.00 O ATOM 0 H ASP B 9 -10.286 9.003 -3.949 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.531 7.996 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -9.196 9.794 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -7.727 8.915 -6.657 1.00 0.00 H new ATOM 984 N ILE B 10 -8.170 6.724 -4.207 1.00 0.00 N ATOM 985 CA ILE B 10 -7.503 5.504 -3.729 1.00 0.00 C ATOM 986 C ILE B 10 -6.274 5.183 -4.578 1.00 0.00 C ATOM 987 O ILE B 10 -5.236 4.781 -4.050 1.00 0.00 O ATOM 988 CB ILE B 10 -8.464 4.292 -3.684 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.122 3.401 -2.487 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.413 3.485 -4.974 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.356 4.069 -1.148 1.00 0.00 C ATOM 0 H ILE B 10 -8.058 7.522 -3.581 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.179 5.700 -2.707 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.480 4.672 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.720 2.491 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.077 3.100 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.101 2.643 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.701 4.120 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.400 3.114 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -8.092 3.379 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.738 4.964 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.406 4.346 -1.058 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.386 5.387 -5.888 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.269 5.139 -6.774 1.00 0.00 C ATOM 1005 C GLY B 11 -4.142 6.115 -6.520 1.00 0.00 C ATOM 1006 O GLY B 11 -2.970 5.771 -6.654 1.00 0.00 O ATOM 0 H GLY B 11 -7.233 5.720 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.909 4.120 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.598 5.221 -7.810 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.507 7.338 -6.142 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.528 8.377 -5.850 1.00 0.00 C ATOM 1012 C ASP B 12 -2.695 7.982 -4.635 1.00 0.00 C ATOM 1013 O ASP B 12 -1.470 8.103 -4.642 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.233 9.711 -5.597 1.00 0.00 C ATOM 1015 CG ASP B 12 -3.262 10.857 -5.381 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -2.038 10.625 -5.465 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -3.728 11.988 -5.131 1.00 0.00 O ATOM 0 H ASP B 12 -5.477 7.632 -6.031 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.867 8.490 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -4.878 9.942 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -4.877 9.616 -4.723 1.00 0.00 H new ATOM 1022 N ARG B 13 -3.372 7.493 -3.599 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.701 7.058 -2.378 1.00 0.00 C ATOM 1024 C ARG B 13 -1.699 5.959 -2.709 1.00 0.00 C ATOM 1025 O ARG B 13 -0.543 5.997 -2.287 1.00 0.00 O ATOM 1026 CB ARG B 13 -3.727 6.515 -1.382 1.00 0.00 C ATOM 1027 CG ARG B 13 -4.895 7.448 -1.113 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.568 8.483 -0.048 1.00 0.00 C ATOM 1029 NE ARG B 13 -3.501 9.389 -0.459 1.00 0.00 N ATOM 1030 CZ ARG B 13 -3.102 10.427 0.270 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -3.694 10.692 1.429 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -2.118 11.202 -0.158 1.00 0.00 N ATOM 0 H ARG B 13 -4.386 7.388 -3.581 1.00 0.00 H new ATOM 0 HA ARG B 13 -2.183 7.910 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -4.114 5.568 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -3.223 6.302 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -5.173 7.955 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -5.759 6.864 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.464 9.061 0.180 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -4.275 7.975 0.871 1.00 0.00 H new ATOM 0 HE ARG B 13 -3.037 9.217 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -4.455 10.099 1.760 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -3.388 11.488 1.988 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -1.664 11.004 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -1.814 11.997 0.404 1.00 0.00 H new ATOM 1046 N LEU B 14 -2.171 4.982 -3.476 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.356 3.849 -3.896 1.00 0.00 C ATOM 1048 C LEU B 14 -0.192 4.298 -4.770 1.00 0.00 C ATOM 1049 O LEU B 14 0.937 3.845 -4.594 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.226 2.857 -4.667 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.229 2.082 -3.815 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -4.480 1.763 -4.620 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -2.595 0.802 -3.298 1.00 0.00 C ATOM 0 H LEU B 14 -3.129 4.954 -3.824 1.00 0.00 H new ATOM 0 HA LEU B 14 -0.946 3.372 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.771 3.399 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.576 2.144 -5.175 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.516 2.702 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.183 1.211 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.944 2.691 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -4.211 1.159 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -3.318 0.257 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.287 0.182 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -1.724 1.047 -2.690 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.480 5.186 -5.714 1.00 0.00 N ATOM 1066 CA ASP B 15 0.539 5.695 -6.622 1.00 0.00 C ATOM 1067 C ASP B 15 1.672 6.344 -5.840 1.00 0.00 C ATOM 1068 O ASP B 15 2.845 6.080 -6.093 1.00 0.00 O ATOM 1069 CB ASP B 15 -0.075 6.703 -7.597 1.00 0.00 C ATOM 1070 CG ASP B 15 0.912 7.176 -8.649 1.00 0.00 C ATOM 1071 OD1 ASP B 15 2.064 6.693 -8.644 1.00 0.00 O ATOM 1072 OD2 ASP B 15 0.529 8.026 -9.479 1.00 0.00 O ATOM 0 H ASP B 15 -1.413 5.569 -5.870 1.00 0.00 H new ATOM 0 HA ASP B 15 0.944 4.858 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.935 6.249 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.445 7.563 -7.039 1.00 0.00 H new ATOM 1077 N GLU B 16 1.311 7.187 -4.881 1.00 0.00 N ATOM 1078 CA GLU B 16 2.299 7.865 -4.053 1.00 0.00 C ATOM 1079 C GLU B 16 3.095 6.854 -3.237 1.00 0.00 C ATOM 1080 O GLU B 16 4.306 6.989 -3.079 1.00 0.00 O ATOM 1081 CB GLU B 16 1.619 8.879 -3.131 1.00 0.00 C ATOM 1082 CG GLU B 16 0.871 9.970 -3.880 1.00 0.00 C ATOM 1083 CD GLU B 16 0.229 10.984 -2.953 1.00 0.00 C ATOM 1084 OE1 GLU B 16 0.968 11.643 -2.193 1.00 0.00 O ATOM 1085 OE2 GLU B 16 -1.012 11.119 -2.990 1.00 0.00 O ATOM 0 H GLU B 16 0.343 7.417 -4.658 1.00 0.00 H new ATOM 0 HA GLU B 16 2.988 8.400 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU B 16 0.922 8.354 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.372 9.339 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.561 10.483 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.101 9.515 -4.503 1.00 0.00 H new ATOM 1092 N LEU B 17 2.406 5.834 -2.729 1.00 0.00 N ATOM 1093 CA LEU B 17 3.056 4.792 -1.939 1.00 0.00 C ATOM 1094 C LEU B 17 4.071 4.033 -2.791 1.00 0.00 C ATOM 1095 O LEU B 17 5.181 3.750 -2.345 1.00 0.00 O ATOM 1096 CB LEU B 17 2.023 3.817 -1.374 1.00 0.00 C ATOM 1097 CG LEU B 17 2.586 2.762 -0.413 1.00 0.00 C ATOM 1098 CD1 LEU B 17 3.518 3.395 0.608 1.00 0.00 C ATOM 1099 CD2 LEU B 17 1.455 2.044 0.298 1.00 0.00 C ATOM 0 H LEU B 17 1.401 5.708 -2.850 1.00 0.00 H new ATOM 0 HA LEU B 17 3.575 5.271 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.254 4.387 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.535 3.307 -2.204 1.00 0.00 H new ATOM 0 HG LEU B 17 3.157 2.042 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.903 2.625 1.276 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.349 3.876 0.093 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.971 4.139 1.188 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.868 1.298 0.977 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.866 2.765 0.865 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.817 1.553 -0.437 1.00 0.00 H new ATOM 1111 N GLU B 18 3.675 3.707 -4.022 1.00 0.00 N ATOM 1112 CA GLU B 18 4.544 2.978 -4.942 1.00 0.00 C ATOM 1113 C GLU B 18 5.762 3.812 -5.302 1.00 0.00 C ATOM 1114 O GLU B 18 6.901 3.386 -5.112 1.00 0.00 O ATOM 1115 CB GLU B 18 3.785 2.615 -6.220 1.00 0.00 C ATOM 1116 CG GLU B 18 4.477 1.547 -7.048 1.00 0.00 C ATOM 1117 CD GLU B 18 3.780 1.283 -8.367 1.00 0.00 C ATOM 1118 OE1 GLU B 18 3.646 2.231 -9.170 1.00 0.00 O ATOM 1119 OE2 GLU B 18 3.369 0.126 -8.599 1.00 0.00 O ATOM 0 H GLU B 18 2.757 3.937 -4.404 1.00 0.00 H new ATOM 0 HA GLU B 18 4.870 2.065 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU B 18 2.786 2.269 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU B 18 3.661 3.512 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.505 1.853 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.522 0.621 -6.474 1.00 0.00 H new ATOM 1126 N LYS B 19 5.508 5.013 -5.814 1.00 0.00 N ATOM 1127 CA LYS B 19 6.575 5.926 -6.192 1.00 0.00 C ATOM 1128 C LYS B 19 7.513 6.126 -5.016 1.00 0.00 C ATOM 1129 O LYS B 19 8.725 6.263 -5.180 1.00 0.00 O ATOM 1130 CB LYS B 19 5.988 7.270 -6.628 1.00 0.00 C ATOM 1131 CG LYS B 19 5.026 7.164 -7.801 1.00 0.00 C ATOM 1132 CD LYS B 19 5.743 6.784 -9.087 1.00 0.00 C ATOM 1133 CE LYS B 19 6.701 7.877 -9.532 1.00 0.00 C ATOM 1134 NZ LYS B 19 5.998 9.171 -9.754 1.00 0.00 N ATOM 0 H LYS B 19 4.568 5.375 -5.976 1.00 0.00 H new ATOM 0 HA LYS B 19 7.131 5.500 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.468 7.721 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS B 19 6.803 7.942 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS B 19 4.261 6.420 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS B 19 4.514 8.116 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.293 5.855 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS B 19 5.010 6.598 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.477 8.009 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.199 7.571 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.602 9.802 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 5.106 8.999 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 5.794 9.617 -8.837 1.00 0.00 H new ATOM 1148 N ALA B 20 6.929 6.134 -3.824 1.00 0.00 N ATOM 1149 CA ALA B 20 7.687 6.308 -2.601 1.00 0.00 C ATOM 1150 C ALA B 20 8.597 5.113 -2.340 1.00 0.00 C ATOM 1151 O ALA B 20 9.783 5.283 -2.063 1.00 0.00 O ATOM 1152 CB ALA B 20 6.745 6.530 -1.433 1.00 0.00 C ATOM 0 H ALA B 20 5.925 6.021 -3.683 1.00 0.00 H new ATOM 0 HA ALA B 20 8.322 7.187 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.324 6.660 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.146 7.423 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.087 5.667 -1.327 1.00 0.00 H new ATOM 1158 N LEU B 21 8.044 3.903 -2.435 1.00 0.00 N ATOM 1159 CA LEU B 21 8.837 2.699 -2.209 1.00 0.00 C ATOM 1160 C LEU B 21 10.013 2.665 -3.166 1.00 0.00 C ATOM 1161 O LEU B 21 11.106 2.262 -2.792 1.00 0.00 O ATOM 1162 CB LEU B 21 8.017 1.420 -2.387 1.00 0.00 C ATOM 1163 CG LEU B 21 6.765 1.268 -1.518 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.643 -0.163 -1.032 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.784 2.211 -0.331 1.00 0.00 C ATOM 0 H LEU B 21 7.064 3.734 -2.664 1.00 0.00 H new ATOM 0 HA LEU B 21 9.185 2.737 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.714 1.355 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.670 0.569 -2.191 1.00 0.00 H new ATOM 0 HG LEU B 21 5.903 1.524 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.750 -0.263 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.569 -0.833 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.522 -0.423 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.878 2.071 0.259 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.656 2.000 0.287 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.831 3.241 -0.685 1.00 0.00 H new ATOM 1177 N GLU B 22 9.781 3.095 -4.406 1.00 0.00 N ATOM 1178 CA GLU B 22 10.839 3.116 -5.408 1.00 0.00 C ATOM 1179 C GLU B 22 12.098 3.722 -4.807 1.00 0.00 C ATOM 1180 O GLU B 22 13.215 3.307 -5.119 1.00 0.00 O ATOM 1181 CB GLU B 22 10.400 3.908 -6.642 1.00 0.00 C ATOM 1182 CG GLU B 22 9.193 3.314 -7.350 1.00 0.00 C ATOM 1183 CD GLU B 22 8.821 4.071 -8.609 1.00 0.00 C ATOM 1184 OE1 GLU B 22 8.529 5.281 -8.512 1.00 0.00 O ATOM 1185 OE2 GLU B 22 8.822 3.454 -9.696 1.00 0.00 O ATOM 0 H GLU B 22 8.876 3.431 -4.736 1.00 0.00 H new ATOM 0 HA GLU B 22 11.049 2.093 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.169 4.930 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.232 3.961 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.401 2.275 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.342 3.311 -6.668 1.00 0.00 H new ATOM 1192 N ALA B 23 11.899 4.693 -3.922 1.00 0.00 N ATOM 1193 CA ALA B 23 13.003 5.350 -3.242 1.00 0.00 C ATOM 1194 C ALA B 23 13.577 4.446 -2.153 1.00 0.00 C ATOM 1195 O ALA B 23 14.790 4.296 -2.043 1.00 0.00 O ATOM 1196 CB ALA B 23 12.545 6.674 -2.650 1.00 0.00 C ATOM 0 H ALA B 23 10.977 5.042 -3.660 1.00 0.00 H new ATOM 0 HA ALA B 23 13.789 5.549 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.382 7.155 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.182 7.323 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.743 6.494 -1.934 1.00 0.00 H new ATOM 1202 N LEU B 24 12.691 3.844 -1.354 1.00 0.00 N ATOM 1203 CA LEU B 24 13.104 2.947 -0.271 1.00 0.00 C ATOM 1204 C LEU B 24 13.225 1.512 -0.764 1.00 0.00 C ATOM 1205 O LEU B 24 13.316 0.593 0.042 1.00 0.00 O ATOM 1206 CB LEU B 24 12.086 2.951 0.880 1.00 0.00 C ATOM 1207 CG LEU B 24 11.788 4.300 1.531 1.00 0.00 C ATOM 1208 CD1 LEU B 24 13.057 4.937 2.070 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.095 5.213 0.542 1.00 0.00 C ATOM 0 H LEU B 24 11.681 3.962 -1.437 1.00 0.00 H new ATOM 0 HA LEU B 24 14.069 3.313 0.079 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.148 2.540 0.506 1.00 0.00 H new ATOM 0 HB3 LEU B 24 12.445 2.272 1.654 1.00 0.00 H new ATOM 0 HG LEU B 24 11.120 4.138 2.377 1.00 0.00 H new ATOM 0 HD11 LEU B 24 12.816 5.896 2.528 1.00 0.00 H new ATOM 0 HD12 LEU B 24 13.505 4.281 2.816 1.00 0.00 H new ATOM 0 HD13 LEU B 24 13.762 5.092 1.253 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.887 6.172 1.016 1.00 0.00 H new ATOM 0 HD22 LEU B 24 11.739 5.368 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU B 24 10.159 4.757 0.220 1.00 0.00 H new ATOM 1221 N SER B 25 13.184 1.324 -2.078 1.00 0.00 N ATOM 1222 CA SER B 25 13.244 -0.013 -2.662 1.00 0.00 C ATOM 1223 C SER B 25 14.384 -0.838 -2.076 1.00 0.00 C ATOM 1224 O SER B 25 15.464 -0.938 -2.658 1.00 0.00 O ATOM 1225 CB SER B 25 13.367 0.071 -4.182 1.00 0.00 C ATOM 1226 OG SER B 25 14.588 0.672 -4.572 1.00 0.00 O ATOM 0 H SER B 25 13.110 2.079 -2.760 1.00 0.00 H new ATOM 0 HA SER B 25 12.312 -0.521 -2.413 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.300 -0.930 -4.609 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.533 0.646 -4.584 1.00 0.00 H new ATOM 0 HG SER B 25 15.331 0.233 -4.109 1.00 0.00 H new ATOM 1232 N ALA B 26 14.119 -1.428 -0.912 1.00 0.00 N ATOM 1233 CA ALA B 26 15.095 -2.255 -0.219 1.00 0.00 C ATOM 1234 C ALA B 26 16.434 -1.532 -0.081 1.00 0.00 C ATOM 1235 O ALA B 26 17.496 -2.124 -0.269 1.00 0.00 O ATOM 1236 CB ALA B 26 15.265 -3.573 -0.953 1.00 0.00 C ATOM 0 H ALA B 26 13.225 -1.345 -0.428 1.00 0.00 H new ATOM 0 HA ALA B 26 14.728 -2.456 0.787 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.997 -4.189 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.309 -4.096 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.611 -3.382 -1.969 1.00 0.00 H new ATOM 1242 N GLU B 27 16.368 -0.244 0.243 1.00 0.00 N ATOM 1243 CA GLU B 27 17.565 0.576 0.401 1.00 0.00 C ATOM 1244 C GLU B 27 18.379 0.164 1.624 1.00 0.00 C ATOM 1245 O GLU B 27 19.610 0.167 1.587 1.00 0.00 O ATOM 1246 CB GLU B 27 17.184 2.051 0.512 1.00 0.00 C ATOM 1247 CG GLU B 27 16.628 2.631 -0.777 1.00 0.00 C ATOM 1248 CD GLU B 27 17.664 2.713 -1.882 1.00 0.00 C ATOM 1249 OE1 GLU B 27 18.833 2.348 -1.633 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.307 3.149 -2.997 1.00 0.00 O ATOM 0 H GLU B 27 15.494 0.256 0.402 1.00 0.00 H new ATOM 0 HA GLU B 27 18.184 0.422 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.444 2.168 1.303 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.062 2.624 0.810 1.00 0.00 H new ATOM 0 HG2 GLU B 27 15.792 2.018 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.234 3.628 -0.581 1.00 0.00 H new ATOM 1257 N ASP B 28 17.692 -0.172 2.710 1.00 0.00 N ATOM 1258 CA ASP B 28 18.371 -0.563 3.940 1.00 0.00 C ATOM 1259 C ASP B 28 17.451 -1.398 4.827 1.00 0.00 C ATOM 1260 O ASP B 28 17.148 -1.017 5.959 1.00 0.00 O ATOM 1261 CB ASP B 28 18.842 0.685 4.694 1.00 0.00 C ATOM 1262 CG ASP B 28 19.807 0.364 5.821 1.00 0.00 C ATOM 1263 OD1 ASP B 28 19.418 -0.377 6.748 1.00 0.00 O ATOM 1264 OD2 ASP B 28 20.953 0.856 5.775 1.00 0.00 O ATOM 0 H ASP B 28 16.673 -0.182 2.764 1.00 0.00 H new ATOM 0 HA ASP B 28 19.236 -1.172 3.679 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.324 1.367 3.993 1.00 0.00 H new ATOM 0 HB3 ASP B 28 17.976 1.206 5.101 1.00 0.00 H new ATOM 1269 N GLY B 29 17.005 -2.535 4.304 1.00 0.00 N ATOM 1270 CA GLY B 29 16.123 -3.400 5.064 1.00 0.00 C ATOM 1271 C GLY B 29 14.844 -2.698 5.468 1.00 0.00 C ATOM 1272 O GLY B 29 14.459 -2.714 6.637 1.00 0.00 O ATOM 0 H GLY B 29 17.238 -2.872 3.370 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.880 -4.281 4.470 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.641 -3.750 5.957 1.00 0.00 H new ATOM 1276 N HIS B 30 14.191 -2.072 4.494 1.00 0.00 N ATOM 1277 CA HIS B 30 12.949 -1.349 4.736 1.00 0.00 C ATOM 1278 C HIS B 30 11.774 -2.303 4.944 1.00 0.00 C ATOM 1279 O HIS B 30 10.665 -2.042 4.484 1.00 0.00 O ATOM 1280 CB HIS B 30 12.674 -0.396 3.570 1.00 0.00 C ATOM 1281 CG HIS B 30 13.505 0.847 3.617 1.00 0.00 C ATOM 1282 ND1 HIS B 30 13.522 1.699 4.701 1.00 0.00 N ATOM 1283 CD2 HIS B 30 14.354 1.379 2.708 1.00 0.00 C ATOM 1284 CE1 HIS B 30 14.346 2.701 4.458 1.00 0.00 C ATOM 1285 NE2 HIS B 30 14.865 2.531 3.256 1.00 0.00 N ATOM 0 H HIS B 30 14.505 -2.052 3.524 1.00 0.00 H new ATOM 0 HA HIS B 30 13.061 -0.772 5.654 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.863 -0.917 2.631 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.619 -0.121 3.575 1.00 0.00 H new ATOM 0 HD1 HIS B 30 12.982 1.574 5.557 1.00 0.00 H new ATOM 0 HD2 HIS B 30 14.587 0.974 1.734 1.00 0.00 H new ATOM 0 HE1 HIS B 30 14.559 3.520 5.128 1.00 0.00 H new ATOM 1294 N ASP B 31 12.019 -3.400 5.655 1.00 0.00 N ATOM 1295 CA ASP B 31 10.976 -4.380 5.933 1.00 0.00 C ATOM 1296 C ASP B 31 9.744 -3.693 6.512 1.00 0.00 C ATOM 1297 O ASP B 31 8.617 -4.145 6.313 1.00 0.00 O ATOM 1298 CB ASP B 31 11.492 -5.448 6.902 1.00 0.00 C ATOM 1299 CG ASP B 31 10.477 -6.548 7.155 1.00 0.00 C ATOM 1300 OD1 ASP B 31 9.394 -6.246 7.698 1.00 0.00 O ATOM 1301 OD2 ASP B 31 10.766 -7.713 6.807 1.00 0.00 O ATOM 0 H ASP B 31 12.931 -3.632 6.049 1.00 0.00 H new ATOM 0 HA ASP B 31 10.698 -4.865 4.997 1.00 0.00 H new ATOM 0 HB2 ASP B 31 12.405 -5.887 6.500 1.00 0.00 H new ATOM 0 HB3 ASP B 31 11.755 -4.977 7.849 1.00 0.00 H new ATOM 1306 N ASP B 32 9.971 -2.590 7.222 1.00 0.00 N ATOM 1307 CA ASP B 32 8.885 -1.828 7.824 1.00 0.00 C ATOM 1308 C ASP B 32 7.843 -1.468 6.770 1.00 0.00 C ATOM 1309 O ASP B 32 6.642 -1.544 7.018 1.00 0.00 O ATOM 1310 CB ASP B 32 9.425 -0.558 8.486 1.00 0.00 C ATOM 1311 CG ASP B 32 8.351 0.219 9.223 1.00 0.00 C ATOM 1312 OD1 ASP B 32 7.358 0.619 8.580 1.00 0.00 O ATOM 1313 OD2 ASP B 32 8.503 0.429 10.443 1.00 0.00 O ATOM 0 H ASP B 32 10.900 -2.205 7.393 1.00 0.00 H new ATOM 0 HA ASP B 32 8.413 -2.445 8.588 1.00 0.00 H new ATOM 0 HB2 ASP B 32 10.218 -0.826 9.184 1.00 0.00 H new ATOM 0 HB3 ASP B 32 9.873 0.081 7.725 1.00 0.00 H new ATOM 1318 N VAL B 33 8.310 -1.086 5.585 1.00 0.00 N ATOM 1319 CA VAL B 33 7.405 -0.735 4.502 1.00 0.00 C ATOM 1320 C VAL B 33 6.595 -1.955 4.087 1.00 0.00 C ATOM 1321 O VAL B 33 5.436 -1.841 3.695 1.00 0.00 O ATOM 1322 CB VAL B 33 8.149 -0.174 3.277 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.161 0.457 2.314 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.200 0.838 3.706 1.00 0.00 C ATOM 0 H VAL B 33 9.301 -1.013 5.354 1.00 0.00 H new ATOM 0 HA VAL B 33 6.744 0.047 4.875 1.00 0.00 H new ATOM 0 HB VAL B 33 8.657 -0.994 2.770 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.696 0.851 1.450 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.444 -0.295 1.984 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.632 1.268 2.815 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.715 1.223 2.826 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.718 1.661 4.234 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.921 0.356 4.366 1.00 0.00 H new ATOM 1334 N GLY B 34 7.222 -3.124 4.189 1.00 0.00 N ATOM 1335 CA GLY B 34 6.559 -4.364 3.835 1.00 0.00 C ATOM 1336 C GLY B 34 5.459 -4.737 4.808 1.00 0.00 C ATOM 1337 O GLY B 34 4.377 -5.146 4.393 1.00 0.00 O ATOM 0 H GLY B 34 8.183 -3.233 4.513 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.138 -4.273 2.834 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.295 -5.167 3.799 1.00 0.00 H new ATOM 1341 N GLN B 35 5.731 -4.603 6.105 1.00 0.00 N ATOM 1342 CA GLN B 35 4.743 -4.937 7.124 1.00 0.00 C ATOM 1343 C GLN B 35 3.529 -4.021 7.010 1.00 0.00 C ATOM 1344 O GLN B 35 2.392 -4.463 7.162 1.00 0.00 O ATOM 1345 CB GLN B 35 5.349 -4.847 8.529 1.00 0.00 C ATOM 1346 CG GLN B 35 5.687 -3.433 8.971 1.00 0.00 C ATOM 1347 CD GLN B 35 6.295 -3.385 10.358 1.00 0.00 C ATOM 1348 OE1 GLN B 35 7.368 -3.938 10.598 1.00 0.00 O ATOM 1349 NE2 GLN B 35 5.606 -2.726 11.284 1.00 0.00 N ATOM 0 H GLN B 35 6.622 -4.268 6.471 1.00 0.00 H new ATOM 0 HA GLN B 35 4.422 -5.966 6.958 1.00 0.00 H new ATOM 0 HB2 GLN B 35 4.649 -5.282 9.243 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.255 -5.452 8.561 1.00 0.00 H new ATOM 0 HG2 GLN B 35 6.382 -2.990 8.258 1.00 0.00 H new ATOM 0 HG3 GLN B 35 4.782 -2.825 8.954 1.00 0.00 H new ATOM 0 HE21 GLN B 35 4.720 -2.282 11.041 1.00 0.00 H new ATOM 0 HE22 GLN B 35 5.963 -2.664 12.238 1.00 0.00 H new ATOM 1358 N ARG B 36 3.781 -2.745 6.730 1.00 0.00 N ATOM 1359 CA ARG B 36 2.708 -1.768 6.579 1.00 0.00 C ATOM 1360 C ARG B 36 1.932 -2.032 5.294 1.00 0.00 C ATOM 1361 O ARG B 36 0.705 -2.093 5.292 1.00 0.00 O ATOM 1362 CB ARG B 36 3.282 -0.349 6.546 1.00 0.00 C ATOM 1363 CG ARG B 36 4.068 0.027 7.791 1.00 0.00 C ATOM 1364 CD ARG B 36 3.172 0.091 9.015 1.00 0.00 C ATOM 1365 NE ARG B 36 3.927 0.368 10.232 1.00 0.00 N ATOM 1366 CZ ARG B 36 3.373 0.471 11.437 1.00 0.00 C ATOM 1367 NH1 ARG B 36 2.065 0.321 11.585 1.00 0.00 N ATOM 1368 NH2 ARG B 36 4.130 0.724 12.496 1.00 0.00 N ATOM 0 H ARG B 36 4.719 -2.364 6.603 1.00 0.00 H new ATOM 0 HA ARG B 36 2.035 -1.862 7.431 1.00 0.00 H new ATOM 0 HB2 ARG B 36 3.930 -0.250 5.675 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.464 0.360 6.417 1.00 0.00 H new ATOM 0 HG2 ARG B 36 4.861 -0.703 7.957 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.550 0.993 7.641 1.00 0.00 H new ATOM 0 HD2 ARG B 36 2.418 0.865 8.872 1.00 0.00 H new ATOM 0 HD3 ARG B 36 2.641 -0.855 9.125 1.00 0.00 H new ATOM 0 HE ARG B 36 4.937 0.490 10.155 1.00 0.00 H new ATOM 0 HH11 ARG B 36 1.479 0.126 10.773 1.00 0.00 H new ATOM 0 HH12 ARG B 36 1.644 0.401 12.511 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.138 0.840 12.387 1.00 0.00 H new ATOM 0 HH22 ARG B 36 3.705 0.803 13.420 1.00 0.00 H new ATOM 1382 N LEU B 37 2.674 -2.188 4.204 1.00 0.00 N ATOM 1383 CA LEU B 37 2.092 -2.448 2.893 1.00 0.00 C ATOM 1384 C LEU B 37 1.295 -3.746 2.915 1.00 0.00 C ATOM 1385 O LEU B 37 0.251 -3.860 2.271 1.00 0.00 O ATOM 1386 CB LEU B 37 3.211 -2.518 1.850 1.00 0.00 C ATOM 1387 CG LEU B 37 2.779 -2.458 0.382 1.00 0.00 C ATOM 1388 CD1 LEU B 37 1.900 -1.244 0.121 1.00 0.00 C ATOM 1389 CD2 LEU B 37 4.012 -2.439 -0.512 1.00 0.00 C ATOM 0 H LEU B 37 3.693 -2.138 4.204 1.00 0.00 H new ATOM 0 HA LEU B 37 1.410 -1.639 2.631 1.00 0.00 H new ATOM 0 HB2 LEU B 37 3.903 -1.697 2.036 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.765 -3.444 2.005 1.00 0.00 H new ATOM 0 HG LEU B 37 2.188 -3.345 0.152 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.607 -1.226 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.008 -1.299 0.745 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.454 -0.336 0.359 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.703 -2.396 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU B 37 4.619 -1.564 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU B 37 4.598 -3.343 -0.343 1.00 0.00 H new ATOM 1401 N GLU B 38 1.795 -4.719 3.668 1.00 0.00 N ATOM 1402 CA GLU B 38 1.137 -6.012 3.789 1.00 0.00 C ATOM 1403 C GLU B 38 -0.088 -5.900 4.687 1.00 0.00 C ATOM 1404 O GLU B 38 -1.155 -6.422 4.367 1.00 0.00 O ATOM 1405 CB GLU B 38 2.106 -7.049 4.358 1.00 0.00 C ATOM 1406 CG GLU B 38 1.921 -8.438 3.773 1.00 0.00 C ATOM 1407 CD GLU B 38 2.618 -9.515 4.582 1.00 0.00 C ATOM 1408 OE1 GLU B 38 3.196 -9.185 5.640 1.00 0.00 O ATOM 1409 OE2 GLU B 38 2.581 -10.690 4.161 1.00 0.00 O ATOM 0 H GLU B 38 2.658 -4.635 4.206 1.00 0.00 H new ATOM 0 HA GLU B 38 0.819 -6.332 2.797 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.128 -6.719 4.173 1.00 0.00 H new ATOM 0 HB3 GLU B 38 1.978 -7.099 5.439 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.856 -8.664 3.717 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.304 -8.451 2.753 1.00 0.00 H new ATOM 1416 N SER B 39 0.076 -5.208 5.812 1.00 0.00 N ATOM 1417 CA SER B 39 -1.012 -5.013 6.761 1.00 0.00 C ATOM 1418 C SER B 39 -2.185 -4.324 6.079 1.00 0.00 C ATOM 1419 O SER B 39 -3.344 -4.662 6.316 1.00 0.00 O ATOM 1420 CB SER B 39 -0.536 -4.183 7.955 1.00 0.00 C ATOM 1421 OG SER B 39 -1.528 -4.122 8.964 1.00 0.00 O ATOM 0 H SER B 39 0.956 -4.772 6.087 1.00 0.00 H new ATOM 0 HA SER B 39 -1.337 -5.989 7.123 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.376 -4.618 8.364 1.00 0.00 H new ATOM 0 HB3 SER B 39 -0.287 -3.175 7.624 1.00 0.00 H new ATOM 0 HG SER B 39 -1.198 -3.587 9.716 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.868 -3.361 5.218 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.884 -2.626 4.479 1.00 0.00 C ATOM 1429 C LEU B 40 -3.789 -3.582 3.717 1.00 0.00 C ATOM 1430 O LEU B 40 -5.005 -3.421 3.710 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.226 -1.644 3.504 1.00 0.00 C ATOM 1432 CG LEU B 40 -2.116 -0.197 3.996 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -1.542 -0.134 5.402 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -1.275 0.627 3.033 1.00 0.00 C ATOM 0 H LEU B 40 -0.911 -3.072 5.016 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.488 -2.067 5.193 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.225 -2.007 3.271 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -2.792 -1.650 2.573 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.120 0.225 4.030 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.477 0.906 5.722 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.190 -0.684 6.085 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -0.547 -0.579 5.409 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.206 1.652 3.396 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -0.275 0.198 2.965 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -1.740 0.622 2.047 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.182 -4.578 3.076 1.00 0.00 N ATOM 1447 CA LEU B 41 -3.933 -5.565 2.307 1.00 0.00 C ATOM 1448 C LEU B 41 -4.631 -6.576 3.206 1.00 0.00 C ATOM 1449 O LEU B 41 -5.802 -6.882 3.001 1.00 0.00 O ATOM 1450 CB LEU B 41 -3.019 -6.278 1.315 1.00 0.00 C ATOM 1451 CG LEU B 41 -2.916 -5.596 -0.045 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -1.829 -6.230 -0.893 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -4.258 -5.655 -0.760 1.00 0.00 C ATOM 0 H LEU B 41 -2.172 -4.722 3.074 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.705 -5.028 1.756 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.021 -6.353 1.747 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.382 -7.296 1.172 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.647 -4.552 0.113 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.778 -5.724 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.870 -6.138 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.057 -7.284 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -4.175 -5.166 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.549 -6.696 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -5.013 -5.146 -0.160 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.923 -7.093 4.204 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.520 -8.061 5.116 1.00 0.00 C ATOM 1467 C ARG B 42 -5.827 -7.503 5.662 1.00 0.00 C ATOM 1468 O ARG B 42 -6.799 -8.232 5.857 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.559 -8.399 6.258 1.00 0.00 C ATOM 1470 CG ARG B 42 -4.109 -9.431 7.234 1.00 0.00 C ATOM 1471 CD ARG B 42 -4.482 -10.728 6.530 1.00 0.00 C ATOM 1472 NE ARG B 42 -3.339 -11.345 5.861 1.00 0.00 N ATOM 1473 CZ ARG B 42 -2.267 -11.807 6.499 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -2.192 -11.734 7.821 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -1.269 -12.349 5.813 1.00 0.00 N ATOM 0 H ARG B 42 -2.949 -6.862 4.401 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.724 -8.982 4.571 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -2.625 -8.771 5.837 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.321 -7.486 6.804 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.366 -9.636 8.004 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.986 -9.025 7.737 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.896 -11.427 7.257 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.265 -10.529 5.798 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.365 -11.426 4.845 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.958 -11.322 8.353 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -1.368 -12.090 8.305 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -1.324 -12.411 4.796 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -0.447 -12.703 6.302 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.842 -6.191 5.883 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.026 -5.504 6.378 1.00 0.00 C ATOM 1491 C ARG B 43 -7.947 -5.139 5.214 1.00 0.00 C ATOM 1492 O ARG B 43 -9.168 -5.248 5.316 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.623 -4.242 7.145 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.688 -4.509 8.315 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.340 -5.399 9.362 1.00 0.00 C ATOM 1496 NE ARG B 43 -7.545 -4.793 9.920 1.00 0.00 N ATOM 1497 CZ ARG B 43 -8.299 -5.371 10.850 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -7.972 -6.566 11.325 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -9.380 -4.754 11.307 1.00 0.00 N ATOM 0 H ARG B 43 -5.040 -5.581 5.725 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.560 -6.170 7.055 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.140 -3.548 6.457 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.522 -3.750 7.515 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.776 -4.982 7.952 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.396 -3.563 8.771 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -6.591 -6.361 8.915 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -5.629 -5.597 10.164 1.00 0.00 H new ATOM 0 HE ARG B 43 -7.824 -3.874 9.577 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.141 -7.043 10.977 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -8.552 -7.007 12.039 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -9.634 -3.835 10.945 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -9.958 -5.199 12.021 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.342 -4.706 4.109 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.084 -4.320 2.910 1.00 0.00 C ATOM 1515 C TRP B 44 -8.950 -5.472 2.404 1.00 0.00 C ATOM 1516 O TRP B 44 -10.171 -5.347 2.299 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.104 -3.892 1.814 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.763 -3.550 0.514 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.392 -3.981 -0.727 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.898 -2.699 0.320 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.230 -3.461 -1.678 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.161 -2.671 -1.061 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.721 -1.960 1.175 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.205 -1.938 -1.605 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.759 -1.229 0.626 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -10.991 -1.224 -0.750 1.00 0.00 C ATOM 0 H TRP B 44 -6.330 -4.613 4.020 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.739 -3.487 3.166 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.539 -3.028 2.162 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.387 -4.696 1.647 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.558 -4.637 -0.930 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.170 -3.634 -2.681 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.550 -1.960 2.241 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.389 -1.933 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.402 -0.652 1.274 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.810 -0.642 -1.146 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.304 -6.591 2.090 1.00 0.00 N ATOM 1538 CA ASN B 45 -8.996 -7.774 1.592 1.00 0.00 C ATOM 1539 C ASN B 45 -9.999 -8.297 2.615 1.00 0.00 C ATOM 1540 O ASN B 45 -11.110 -8.691 2.260 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.983 -8.867 1.245 1.00 0.00 C ATOM 1542 CG ASN B 45 -7.029 -8.445 0.145 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -7.446 -8.158 -0.977 1.00 0.00 O ATOM 1544 ND2 ASN B 45 -5.740 -8.402 0.461 1.00 0.00 N ATOM 0 H ASN B 45 -7.294 -6.703 2.173 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.544 -7.492 0.693 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.413 -9.126 2.137 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.515 -9.766 0.935 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -5.052 -8.123 -0.239 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -5.437 -8.648 1.404 1.00 0.00 H new ATOM 1551 N SER B 46 -9.599 -8.299 3.885 1.00 0.00 N ATOM 1552 CA SER B 46 -10.469 -8.775 4.956 1.00 0.00 C ATOM 1553 C SER B 46 -11.795 -8.023 4.944 1.00 0.00 C ATOM 1554 O SER B 46 -12.863 -8.624 5.065 1.00 0.00 O ATOM 1555 CB SER B 46 -9.784 -8.605 6.313 1.00 0.00 C ATOM 1556 OG SER B 46 -10.614 -9.066 7.365 1.00 0.00 O ATOM 0 H SER B 46 -8.682 -7.978 4.196 1.00 0.00 H new ATOM 0 HA SER B 46 -10.667 -9.834 4.790 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.843 -9.155 6.320 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.540 -7.555 6.472 1.00 0.00 H new ATOM 0 HG SER B 46 -10.153 -8.948 8.221 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.717 -6.706 4.786 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.908 -5.868 4.745 1.00 0.00 C ATOM 1564 C ARG B 47 -13.798 -6.256 3.570 1.00 0.00 C ATOM 1565 O ARG B 47 -15.024 -6.264 3.684 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.512 -4.393 4.649 1.00 0.00 C ATOM 1567 CG ARG B 47 -11.748 -3.897 5.866 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.209 -2.491 5.655 1.00 0.00 C ATOM 1569 NE ARG B 47 -10.457 -2.017 6.814 1.00 0.00 N ATOM 1570 CZ ARG B 47 -9.820 -0.851 6.854 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -9.832 -0.050 5.797 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -9.168 -0.487 7.949 1.00 0.00 N ATOM 0 H ARG B 47 -10.840 -6.196 4.684 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.471 -6.021 5.666 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.900 -4.245 3.759 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.411 -3.790 4.522 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.403 -3.909 6.737 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.922 -4.576 6.079 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.566 -2.477 4.775 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.037 -1.811 5.456 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.418 -2.615 7.640 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.331 -0.328 4.952 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -9.343 0.844 5.829 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.154 -1.102 8.763 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -8.680 0.408 7.978 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.170 -6.587 2.444 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.906 -6.989 1.250 1.00 0.00 C ATOM 1588 C ARG B 48 -14.808 -8.178 1.556 1.00 0.00 C ATOM 1589 O ARG B 48 -15.992 -8.178 1.215 1.00 0.00 O ATOM 1590 CB ARG B 48 -12.936 -7.350 0.123 1.00 0.00 C ATOM 1591 CG ARG B 48 -12.053 -6.196 -0.319 1.00 0.00 C ATOM 1592 CD ARG B 48 -11.093 -6.622 -1.420 1.00 0.00 C ATOM 1593 NE ARG B 48 -11.794 -7.154 -2.587 1.00 0.00 N ATOM 1594 CZ ARG B 48 -12.634 -6.444 -3.336 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -12.867 -5.169 -3.054 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -13.239 -7.010 -4.372 1.00 0.00 N ATOM 0 H ARG B 48 -12.156 -6.585 2.334 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.524 -6.150 0.930 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.303 -8.175 0.451 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.507 -7.708 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.676 -5.375 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.487 -5.821 0.534 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -10.486 -5.768 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.410 -7.378 -1.032 1.00 0.00 H new ATOM 0 HE ARG B 48 -11.629 -8.128 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -12.401 -4.729 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -13.512 -4.629 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -13.060 -7.989 -4.594 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -13.883 -6.466 -4.946 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.240 -9.186 2.212 1.00 0.00 N ATOM 1611 CA ALA B 49 -14.990 -10.379 2.578 1.00 0.00 C ATOM 1612 C ALA B 49 -16.114 -10.031 3.546 1.00 0.00 C ATOM 1613 O ALA B 49 -17.217 -10.569 3.454 1.00 0.00 O ATOM 1614 CB ALA B 49 -14.064 -11.418 3.192 1.00 0.00 C ATOM 0 H ALA B 49 -13.262 -9.198 2.500 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.433 -10.798 1.674 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.639 -12.304 3.461 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -13.293 -11.690 2.471 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.595 -11.005 4.085 1.00 0.00 H new