USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 887 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 LYS NZ :NH3+ -151:sc= 1.29 (180deg=-0.0727) USER MOD Set 1.2: A 109 ASN : amide:sc= 0.988 K(o=2.3,f=-4.7) USER MOD Single : A 1 SER N :NH3+ 166:sc= 1.22 (180deg=0.908) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00975 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.17) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 9 THR OG1 : rot -140:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0138 F(o=-1.5!,f=-0.014) USER MOD Single : A 18 GLN : amide:sc= 1.2 K(o=1.2,f=-0.39) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 70:sc= 1.16 USER MOD Single : A 34 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.45) USER MOD Single : A 44 GLN : amide:sc= 1.21 K(o=1.2,f=-0.033) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.62) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0523 K(o=-0.052,f=-1.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0457 (180deg=-0.374) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 67 GLN : amide:sc= -0.0017 X(o=-0.0017,f=0.18) USER MOD Single : A 70 GLN : amide:sc=-0.00964 K(o=-0.0096,f=-0.95) USER MOD Single : A 73 GLN : amide:sc= 1.05 K(o=1.1,f=-5.1!) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 1.26 (180deg=1.16) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.15 (180deg=0.998) USER MOD Single : A 86 SER OG : rot 66:sc= 1.25 USER MOD Single : A 89 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.46) USER MOD Single : A 96 GLN : amide:sc= -0.745 K(o=-0.74,f=-5.3!) USER MOD Single : A 99 GLN : amide:sc= 0.133 K(o=0.13,f=-0.41) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.0642 (180deg=-0.379) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.516 6.784 19.190 1.00 0.00 N ATOM 2 CA SER A 1 10.898 6.312 19.032 1.00 0.00 C ATOM 3 C SER A 1 10.935 4.818 18.696 1.00 0.00 C ATOM 4 O SER A 1 11.951 4.155 18.894 1.00 0.00 O ATOM 5 CB SER A 1 11.680 6.590 20.312 1.00 0.00 C ATOM 6 OG SER A 1 11.609 7.969 20.654 1.00 0.00 O ATOM 0 H1 SER A 1 9.519 7.720 19.643 1.00 0.00 H new ATOM 0 H2 SER A 1 9.064 6.852 18.256 1.00 0.00 H new ATOM 0 H3 SER A 1 8.986 6.114 19.783 1.00 0.00 H new ATOM 0 HA SER A 1 11.358 6.850 18.203 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.280 5.987 21.127 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.721 6.296 20.179 1.00 0.00 H new ATOM 0 HG SER A 1 12.115 8.128 21.478 1.00 0.00 H new ATOM 14 N GLU A 2 9.836 4.298 18.148 1.00 0.00 N ATOM 15 CA GLU A 2 9.753 2.887 17.818 1.00 0.00 C ATOM 16 C GLU A 2 8.673 2.624 16.761 1.00 0.00 C ATOM 17 O GLU A 2 8.922 1.955 15.758 1.00 0.00 O ATOM 18 CB GLU A 2 9.451 2.072 19.078 1.00 0.00 C ATOM 19 CG GLU A 2 9.585 0.574 18.892 1.00 0.00 C ATOM 20 CD GLU A 2 11.015 0.146 18.648 1.00 0.00 C ATOM 21 OE1 GLU A 2 11.398 -0.040 17.471 1.00 0.00 O ATOM 22 OE2 GLU A 2 11.759 -0.025 19.626 1.00 0.00 O1- ATOM 0 H GLU A 2 8.998 4.835 17.927 1.00 0.00 H new ATOM 0 HA GLU A 2 10.715 2.581 17.406 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.124 2.390 19.874 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.437 2.297 19.409 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.203 0.066 19.777 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.966 0.259 18.052 1.00 0.00 H new ATOM 29 N PHE A 3 7.484 3.164 16.985 1.00 0.00 N ATOM 30 CA PHE A 3 6.347 2.912 16.097 1.00 0.00 C ATOM 31 C PHE A 3 6.387 3.771 14.840 1.00 0.00 C ATOM 32 O PHE A 3 5.838 3.391 13.802 1.00 0.00 O ATOM 33 CB PHE A 3 5.033 3.124 16.846 1.00 0.00 C ATOM 34 CG PHE A 3 4.913 2.261 18.065 1.00 0.00 C ATOM 35 CD1 PHE A 3 5.231 2.761 19.317 1.00 0.00 C ATOM 36 CD2 PHE A 3 4.498 0.944 17.960 1.00 0.00 C ATOM 37 CE1 PHE A 3 5.139 1.966 20.437 1.00 0.00 C ATOM 38 CE2 PHE A 3 4.401 0.145 19.078 1.00 0.00 C ATOM 39 CZ PHE A 3 4.723 0.656 20.319 1.00 0.00 C ATOM 0 H PHE A 3 7.277 3.779 17.772 1.00 0.00 H new ATOM 0 HA PHE A 3 6.416 1.873 15.775 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.952 4.171 17.138 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.200 2.915 16.175 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.555 3.787 19.416 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.248 0.539 16.991 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.392 2.367 21.407 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.073 -0.880 18.984 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.649 0.031 21.197 1.00 0.00 H new ATOM 49 N GLU A 4 7.051 4.913 14.917 1.00 0.00 N ATOM 50 CA GLU A 4 7.141 5.813 13.772 1.00 0.00 C ATOM 51 C GLU A 4 7.974 5.193 12.649 1.00 0.00 C ATOM 52 O GLU A 4 7.895 5.618 11.500 1.00 0.00 O ATOM 53 CB GLU A 4 7.683 7.206 14.167 1.00 0.00 C ATOM 54 CG GLU A 4 9.149 7.243 14.580 1.00 0.00 C ATOM 55 CD GLU A 4 9.452 6.347 15.749 1.00 0.00 C ATOM 56 OE1 GLU A 4 8.668 6.343 16.725 1.00 0.00 O ATOM 57 OE2 GLU A 4 10.461 5.636 15.701 1.00 0.00 O1- ATOM 0 H GLU A 4 7.534 5.240 15.754 1.00 0.00 H new ATOM 0 HA GLU A 4 6.127 5.960 13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.543 7.884 13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.081 7.591 14.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.767 6.947 13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.424 8.267 14.833 1.00 0.00 H new ATOM 64 N LYS A 5 8.766 4.177 12.994 1.00 0.00 N ATOM 65 CA LYS A 5 9.569 3.458 12.010 1.00 0.00 C ATOM 66 C LYS A 5 8.648 2.781 10.999 1.00 0.00 C ATOM 67 O LYS A 5 8.899 2.799 9.794 1.00 0.00 O ATOM 68 CB LYS A 5 10.434 2.400 12.703 1.00 0.00 C ATOM 69 CG LYS A 5 11.379 2.958 13.755 1.00 0.00 C ATOM 70 CD LYS A 5 12.063 1.839 14.527 1.00 0.00 C ATOM 71 CE LYS A 5 12.960 2.386 15.627 1.00 0.00 C ATOM 72 NZ LYS A 5 13.522 1.300 16.469 1.00 0.00 N ATOM 0 H LYS A 5 8.867 3.835 13.950 1.00 0.00 H new ATOM 0 HA LYS A 5 10.220 4.166 11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.781 1.663 13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.019 1.874 11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.131 3.586 13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.825 3.594 14.445 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.309 1.184 14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.655 1.232 13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.773 2.959 15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.391 3.074 16.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.865 1.699 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.783 0.594 16.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.311 0.845 15.968 1.00 0.00 H new ATOM 86 N LEU A 6 7.570 2.197 11.504 1.00 0.00 N ATOM 87 CA LEU A 6 6.583 1.549 10.659 1.00 0.00 C ATOM 88 C LEU A 6 5.766 2.599 9.921 1.00 0.00 C ATOM 89 O LEU A 6 5.425 2.432 8.746 1.00 0.00 O ATOM 90 CB LEU A 6 5.665 0.657 11.500 1.00 0.00 C ATOM 91 CG LEU A 6 6.348 -0.497 12.242 1.00 0.00 C ATOM 92 CD1 LEU A 6 5.349 -1.236 13.115 1.00 0.00 C ATOM 93 CD2 LEU A 6 7.002 -1.455 11.256 1.00 0.00 C ATOM 0 H LEU A 6 7.358 2.160 12.501 1.00 0.00 H new ATOM 0 HA LEU A 6 7.098 0.924 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.154 1.282 12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.898 0.240 10.847 1.00 0.00 H new ATOM 0 HG LEU A 6 7.124 -0.079 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.853 -2.052 13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.926 -0.547 13.846 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.551 -1.640 12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.482 -2.267 11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.243 -1.864 10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.750 -0.920 10.671 1.00 0.00 H new ATOM 105 N ARG A 7 5.479 3.699 10.616 1.00 0.00 N ATOM 106 CA ARG A 7 4.718 4.798 10.038 1.00 0.00 C ATOM 107 C ARG A 7 5.453 5.425 8.869 1.00 0.00 C ATOM 108 O ARG A 7 4.830 5.864 7.918 1.00 0.00 O ATOM 109 CB ARG A 7 4.404 5.868 11.079 1.00 0.00 C ATOM 110 CG ARG A 7 3.332 5.472 12.078 1.00 0.00 C ATOM 111 CD ARG A 7 2.945 6.648 12.959 1.00 0.00 C ATOM 112 NE ARG A 7 2.504 7.809 12.172 1.00 0.00 N ATOM 113 CZ ARG A 7 1.847 8.859 12.674 1.00 0.00 C ATOM 114 NH1 ARG A 7 1.494 8.881 13.952 1.00 0.00 N ATOM 115 NH2 ARG A 7 1.531 9.882 11.887 1.00 0.00 N ATOM 0 H ARG A 7 5.765 3.850 11.583 1.00 0.00 H new ATOM 0 HA ARG A 7 3.780 4.376 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.318 6.110 11.621 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.088 6.776 10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.453 5.106 11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.694 4.652 12.699 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.146 6.345 13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.796 6.932 13.577 1.00 0.00 H new ATOM 0 HE ARG A 7 2.714 7.813 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.724 8.094 14.558 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.993 9.685 14.329 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.790 9.866 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.030 10.684 12.269 1.00 0.00 H new ATOM 129 N GLN A 8 6.780 5.465 8.945 1.00 0.00 N ATOM 130 CA GLN A 8 7.585 6.042 7.876 1.00 0.00 C ATOM 131 C GLN A 8 7.369 5.277 6.577 1.00 0.00 C ATOM 132 O GLN A 8 7.176 5.875 5.521 1.00 0.00 O ATOM 133 CB GLN A 8 9.068 6.043 8.258 1.00 0.00 C ATOM 134 CG GLN A 8 9.978 6.637 7.193 1.00 0.00 C ATOM 135 CD GLN A 8 11.426 6.715 7.636 1.00 0.00 C ATOM 136 OE1 GLN A 8 11.719 6.876 8.823 1.00 0.00 O ATOM 137 NE2 GLN A 8 12.335 6.601 6.694 1.00 0.00 N ATOM 0 H GLN A 8 7.318 5.106 9.733 1.00 0.00 H new ATOM 0 HA GLN A 8 7.270 7.075 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.194 6.604 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.382 5.019 8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.912 6.034 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.626 7.637 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.050 6.469 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.326 6.645 6.933 1.00 0.00 H new ATOM 146 N THR A 9 7.369 3.956 6.665 1.00 0.00 N ATOM 147 CA THR A 9 7.137 3.122 5.501 1.00 0.00 C ATOM 148 C THR A 9 5.704 3.321 4.990 1.00 0.00 C ATOM 149 O THR A 9 5.459 3.373 3.781 1.00 0.00 O ATOM 150 CB THR A 9 7.377 1.635 5.832 1.00 0.00 C ATOM 151 OG1 THR A 9 8.667 1.487 6.446 1.00 0.00 O ATOM 152 CG2 THR A 9 7.320 0.781 4.572 1.00 0.00 C ATOM 0 H THR A 9 7.527 3.441 7.531 1.00 0.00 H new ATOM 0 HA THR A 9 7.841 3.417 4.723 1.00 0.00 H new ATOM 0 HB THR A 9 6.595 1.302 6.514 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.099 0.675 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.492 -0.263 4.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.339 0.882 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.088 1.112 3.873 1.00 0.00 H new ATOM 160 N GLY A 10 4.768 3.453 5.927 1.00 0.00 N ATOM 161 CA GLY A 10 3.384 3.702 5.576 1.00 0.00 C ATOM 162 C GLY A 10 3.211 5.059 4.917 1.00 0.00 C ATOM 163 O GLY A 10 2.438 5.207 3.973 1.00 0.00 O ATOM 0 H GLY A 10 4.948 3.391 6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.033 2.921 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.766 3.650 6.472 1.00 0.00 H new ATOM 167 N ASP A 11 3.930 6.047 5.431 1.00 0.00 N ATOM 168 CA ASP A 11 3.895 7.405 4.895 1.00 0.00 C ATOM 169 C ASP A 11 4.419 7.417 3.464 1.00 0.00 C ATOM 170 O ASP A 11 3.886 8.123 2.603 1.00 0.00 O ATOM 171 CB ASP A 11 4.727 8.345 5.775 1.00 0.00 C ATOM 172 CG ASP A 11 4.604 9.800 5.371 1.00 0.00 C ATOM 173 OD1 ASP A 11 3.635 10.463 5.805 1.00 0.00 O ATOM 174 OD2 ASP A 11 5.484 10.297 4.635 1.00 0.00 O1- ATOM 0 H ASP A 11 4.554 5.933 6.230 1.00 0.00 H new ATOM 0 HA ASP A 11 2.863 7.755 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.413 8.234 6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.774 8.047 5.725 1.00 0.00 H new ATOM 179 N GLU A 12 5.456 6.614 3.209 1.00 0.00 N ATOM 180 CA GLU A 12 6.010 6.483 1.865 1.00 0.00 C ATOM 181 C GLU A 12 4.945 5.953 0.917 1.00 0.00 C ATOM 182 O GLU A 12 4.826 6.411 -0.218 1.00 0.00 O ATOM 183 CB GLU A 12 7.219 5.541 1.855 1.00 0.00 C ATOM 184 CG GLU A 12 8.405 6.029 2.668 1.00 0.00 C ATOM 185 CD GLU A 12 8.930 7.368 2.203 1.00 0.00 C ATOM 186 OE1 GLU A 12 9.098 7.557 0.977 1.00 0.00 O ATOM 187 OE2 GLU A 12 9.208 8.229 3.061 1.00 0.00 O1- ATOM 0 H GLU A 12 5.925 6.048 3.916 1.00 0.00 H new ATOM 0 HA GLU A 12 6.338 7.469 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.909 4.568 2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.539 5.392 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.114 6.103 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.206 5.291 2.611 1.00 0.00 H new ATOM 194 N LEU A 13 4.163 4.991 1.405 1.00 0.00 N ATOM 195 CA LEU A 13 3.077 4.414 0.625 1.00 0.00 C ATOM 196 C LEU A 13 2.058 5.482 0.260 1.00 0.00 C ATOM 197 O LEU A 13 1.601 5.544 -0.875 1.00 0.00 O ATOM 198 CB LEU A 13 2.392 3.282 1.400 1.00 0.00 C ATOM 199 CG LEU A 13 3.230 2.023 1.637 1.00 0.00 C ATOM 200 CD1 LEU A 13 2.481 1.046 2.530 1.00 0.00 C ATOM 201 CD2 LEU A 13 3.582 1.362 0.312 1.00 0.00 C ATOM 0 H LEU A 13 4.264 4.596 2.340 1.00 0.00 H new ATOM 0 HA LEU A 13 3.501 4.002 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.077 3.671 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.488 2.996 0.862 1.00 0.00 H new ATOM 0 HG LEU A 13 4.154 2.313 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.091 0.157 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.271 1.518 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.543 0.762 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.178 0.468 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.667 1.085 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.154 2.058 -0.301 1.00 0.00 H new ATOM 213 N VAL A 14 1.722 6.336 1.224 1.00 0.00 N ATOM 214 CA VAL A 14 0.768 7.417 0.992 1.00 0.00 C ATOM 215 C VAL A 14 1.263 8.326 -0.125 1.00 0.00 C ATOM 216 O VAL A 14 0.517 8.663 -1.043 1.00 0.00 O ATOM 217 CB VAL A 14 0.533 8.264 2.273 1.00 0.00 C ATOM 218 CG1 VAL A 14 -0.472 9.378 2.012 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.063 7.383 3.421 1.00 0.00 C ATOM 0 H VAL A 14 2.096 6.300 2.172 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.178 6.957 0.706 1.00 0.00 H new ATOM 0 HB VAL A 14 1.482 8.720 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.619 9.956 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.095 10.031 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.422 8.945 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.096 7.996 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.872 6.894 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.819 6.627 3.633 1.00 0.00 H new ATOM 229 N GLN A 15 2.537 8.681 -0.059 1.00 0.00 N ATOM 230 CA GLN A 15 3.147 9.538 -1.066 1.00 0.00 C ATOM 231 C GLN A 15 3.155 8.848 -2.419 1.00 0.00 C ATOM 232 O GLN A 15 2.783 9.439 -3.429 1.00 0.00 O ATOM 233 CB GLN A 15 4.577 9.886 -0.665 1.00 0.00 C ATOM 234 CG GLN A 15 4.683 10.621 0.656 1.00 0.00 C ATOM 235 CD GLN A 15 6.119 10.841 1.093 1.00 0.00 C ATOM 236 OE1 GLN A 15 7.000 9.931 0.722 1.00 0.00 O flip ATOM 237 NE2 GLN A 15 6.429 11.826 1.765 1.00 0.00 N flip ATOM 0 H GLN A 15 3.171 8.388 0.684 1.00 0.00 H new ATOM 0 HA GLN A 15 2.559 10.453 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.161 8.968 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.024 10.499 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.182 11.585 0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.157 10.055 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.717 12.506 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.397 11.961 2.055 1.00 0.00 H new ATOM 246 N ALA A 16 3.558 7.588 -2.423 1.00 0.00 N ATOM 247 CA ALA A 16 3.653 6.812 -3.643 1.00 0.00 C ATOM 248 C ALA A 16 2.287 6.611 -4.299 1.00 0.00 C ATOM 249 O ALA A 16 2.157 6.746 -5.508 1.00 0.00 O ATOM 250 CB ALA A 16 4.323 5.480 -3.368 1.00 0.00 C ATOM 0 H ALA A 16 3.827 7.078 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 16 4.266 7.374 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.388 4.907 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.326 5.651 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.738 4.923 -2.637 1.00 0.00 H new ATOM 256 N PHE A 17 1.272 6.295 -3.502 1.00 0.00 N ATOM 257 CA PHE A 17 -0.072 6.095 -4.037 1.00 0.00 C ATOM 258 C PHE A 17 -0.676 7.391 -4.566 1.00 0.00 C ATOM 259 O PHE A 17 -1.343 7.391 -5.601 1.00 0.00 O ATOM 260 CB PHE A 17 -0.996 5.434 -3.016 1.00 0.00 C ATOM 261 CG PHE A 17 -0.842 3.937 -2.957 1.00 0.00 C ATOM 262 CD1 PHE A 17 -0.141 3.333 -1.929 1.00 0.00 C ATOM 263 CD2 PHE A 17 -1.403 3.136 -3.936 1.00 0.00 C ATOM 264 CE1 PHE A 17 -0.003 1.962 -1.876 1.00 0.00 C ATOM 265 CE2 PHE A 17 -1.266 1.764 -3.891 1.00 0.00 C ATOM 266 CZ PHE A 17 -0.567 1.176 -2.859 1.00 0.00 C ATOM 0 H PHE A 17 1.351 6.172 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 17 0.027 5.414 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.795 5.852 -2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.030 5.677 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.304 3.943 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.955 3.591 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.546 1.504 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.706 1.151 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.461 0.102 -2.820 1.00 0.00 H new ATOM 276 N GLN A 18 -0.447 8.498 -3.865 1.00 0.00 N ATOM 277 CA GLN A 18 -0.927 9.786 -4.341 1.00 0.00 C ATOM 278 C GLN A 18 -0.195 10.165 -5.618 1.00 0.00 C ATOM 279 O GLN A 18 -0.788 10.708 -6.552 1.00 0.00 O ATOM 280 CB GLN A 18 -0.754 10.865 -3.279 1.00 0.00 C ATOM 281 CG GLN A 18 -1.623 10.652 -2.052 1.00 0.00 C ATOM 282 CD GLN A 18 -1.566 11.814 -1.088 1.00 0.00 C ATOM 283 OE1 GLN A 18 -0.553 12.512 -0.990 1.00 0.00 O ATOM 284 NE2 GLN A 18 -2.651 12.034 -0.375 1.00 0.00 N ATOM 0 H GLN A 18 0.060 8.528 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.993 9.703 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.292 10.898 -2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.989 11.835 -3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.655 10.496 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.305 9.744 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.466 11.432 -0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.676 12.807 0.290 1.00 0.00 H new ATOM 293 N ARG A 19 1.093 9.845 -5.649 1.00 0.00 N ATOM 294 CA ARG A 19 1.931 10.045 -6.824 1.00 0.00 C ATOM 295 C ARG A 19 1.398 9.196 -7.974 1.00 0.00 C ATOM 296 O ARG A 19 1.310 9.650 -9.111 1.00 0.00 O ATOM 297 CB ARG A 19 3.374 9.639 -6.478 1.00 0.00 C ATOM 298 CG ARG A 19 4.299 9.439 -7.665 1.00 0.00 C ATOM 299 CD ARG A 19 5.643 8.885 -7.208 1.00 0.00 C ATOM 300 NE ARG A 19 6.440 8.377 -8.325 1.00 0.00 N ATOM 301 CZ ARG A 19 7.246 7.309 -8.252 1.00 0.00 C ATOM 302 NH1 ARG A 19 7.436 6.687 -7.094 1.00 0.00 N ATOM 303 NH2 ARG A 19 7.875 6.880 -9.333 1.00 0.00 N ATOM 0 H ARG A 19 1.588 9.437 -4.855 1.00 0.00 H new ATOM 0 HA ARG A 19 1.916 11.092 -7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.803 10.404 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.345 8.714 -5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.841 8.755 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.447 10.387 -8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.200 9.667 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.478 8.084 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 19 6.378 8.868 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.967 7.022 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.051 5.875 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.747 7.362 -10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.488 6.067 -9.277 1.00 0.00 H new ATOM 317 N LEU A 20 1.014 7.972 -7.644 1.00 0.00 N ATOM 318 CA LEU A 20 0.453 7.035 -8.604 1.00 0.00 C ATOM 319 C LEU A 20 -0.826 7.609 -9.205 1.00 0.00 C ATOM 320 O LEU A 20 -1.030 7.567 -10.418 1.00 0.00 O ATOM 321 CB LEU A 20 0.146 5.709 -7.894 1.00 0.00 C ATOM 322 CG LEU A 20 -0.366 4.570 -8.770 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.742 4.046 -9.665 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.932 3.455 -7.905 1.00 0.00 C ATOM 0 H LEU A 20 1.084 7.599 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 20 1.171 6.862 -9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.054 5.372 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.594 5.901 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.164 4.952 -9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.358 3.234 -10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.103 4.850 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.563 3.677 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.294 2.648 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.152 3.074 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.756 3.842 -7.306 1.00 0.00 H new ATOM 336 N ARG A 21 -1.672 8.161 -8.344 1.00 0.00 N ATOM 337 CA ARG A 21 -2.921 8.772 -8.770 1.00 0.00 C ATOM 338 C ARG A 21 -2.656 9.960 -9.682 1.00 0.00 C ATOM 339 O ARG A 21 -3.310 10.122 -10.708 1.00 0.00 O ATOM 340 CB ARG A 21 -3.737 9.211 -7.561 1.00 0.00 C ATOM 341 CG ARG A 21 -5.045 9.903 -7.915 1.00 0.00 C ATOM 342 CD ARG A 21 -5.898 10.129 -6.683 1.00 0.00 C ATOM 343 NE ARG A 21 -5.180 10.863 -5.642 1.00 0.00 N ATOM 344 CZ ARG A 21 -5.436 10.757 -4.335 1.00 0.00 C ATOM 345 NH1 ARG A 21 -6.433 9.989 -3.909 1.00 0.00 N ATOM 346 NH2 ARG A 21 -4.708 11.438 -3.458 1.00 0.00 N ATOM 0 H ARG A 21 -1.512 8.197 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.491 8.029 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.955 8.338 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.134 9.886 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.835 10.859 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.596 9.298 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.796 10.681 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.225 9.167 -6.288 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.436 11.497 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.006 9.478 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.625 9.910 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.953 12.042 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.904 11.357 -2.460 1.00 0.00 H new ATOM 360 N GLU A 22 -1.691 10.782 -9.305 1.00 0.00 N ATOM 361 CA GLU A 22 -1.322 11.946 -10.099 1.00 0.00 C ATOM 362 C GLU A 22 -0.831 11.528 -11.482 1.00 0.00 C ATOM 363 O GLU A 22 -1.206 12.126 -12.486 1.00 0.00 O ATOM 364 CB GLU A 22 -0.265 12.778 -9.374 1.00 0.00 C ATOM 365 CG GLU A 22 -0.801 13.475 -8.136 1.00 0.00 C ATOM 366 CD GLU A 22 0.278 14.145 -7.319 1.00 0.00 C ATOM 367 OE1 GLU A 22 0.803 15.190 -7.753 1.00 0.00 O ATOM 368 OE2 GLU A 22 0.587 13.644 -6.221 1.00 0.00 O1- ATOM 0 H GLU A 22 -1.146 10.665 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.210 12.564 -10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.565 12.131 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.134 13.525 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.537 14.221 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.321 12.747 -7.513 1.00 0.00 H new ATOM 375 N ILE A 23 -0.010 10.489 -11.527 1.00 0.00 N ATOM 376 CA ILE A 23 0.501 9.957 -12.788 1.00 0.00 C ATOM 377 C ILE A 23 -0.645 9.379 -13.624 1.00 0.00 C ATOM 378 O ILE A 23 -0.699 9.565 -14.845 1.00 0.00 O ATOM 379 CB ILE A 23 1.567 8.871 -12.534 1.00 0.00 C ATOM 380 CG1 ILE A 23 2.756 9.474 -11.793 1.00 0.00 C ATOM 381 CG2 ILE A 23 2.024 8.242 -13.839 1.00 0.00 C ATOM 382 CD1 ILE A 23 3.775 8.456 -11.361 1.00 0.00 C ATOM 0 H ILE A 23 0.320 9.992 -10.700 1.00 0.00 H new ATOM 0 HA ILE A 23 0.965 10.775 -13.338 1.00 0.00 H new ATOM 0 HB ILE A 23 1.122 8.088 -11.920 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.239 10.209 -12.436 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.393 10.008 -10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.775 7.480 -13.632 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.171 7.784 -14.341 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.454 9.010 -14.482 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.592 8.957 -10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.307 7.734 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.166 7.938 -12.237 1.00 0.00 H new ATOM 394 N PHE A 24 -1.559 8.688 -12.952 1.00 0.00 N ATOM 395 CA PHE A 24 -2.753 8.135 -13.588 1.00 0.00 C ATOM 396 C PHE A 24 -3.589 9.263 -14.185 1.00 0.00 C ATOM 397 O PHE A 24 -4.098 9.160 -15.302 1.00 0.00 O ATOM 398 CB PHE A 24 -3.564 7.344 -12.546 1.00 0.00 C ATOM 399 CG PHE A 24 -4.932 6.903 -12.996 1.00 0.00 C ATOM 400 CD1 PHE A 24 -5.084 5.953 -13.993 1.00 0.00 C ATOM 401 CD2 PHE A 24 -6.069 7.429 -12.400 1.00 0.00 C ATOM 402 CE1 PHE A 24 -6.344 5.539 -14.386 1.00 0.00 C ATOM 403 CE2 PHE A 24 -7.328 7.021 -12.790 1.00 0.00 C ATOM 404 CZ PHE A 24 -7.469 6.076 -13.782 1.00 0.00 C ATOM 0 H PHE A 24 -1.495 8.495 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.465 7.460 -14.394 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.992 6.462 -12.258 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.674 7.958 -11.652 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.210 5.532 -14.468 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.967 8.168 -11.620 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.451 4.797 -15.164 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.203 7.443 -12.317 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.454 5.755 -14.088 1.00 0.00 H new ATOM 414 N ASP A 25 -3.697 10.345 -13.434 1.00 0.00 N ATOM 415 CA ASP A 25 -4.422 11.536 -13.860 1.00 0.00 C ATOM 416 C ASP A 25 -3.714 12.212 -15.041 1.00 0.00 C ATOM 417 O ASP A 25 -4.356 12.807 -15.910 1.00 0.00 O ATOM 418 CB ASP A 25 -4.548 12.502 -12.678 1.00 0.00 C ATOM 419 CG ASP A 25 -5.117 13.845 -13.059 1.00 0.00 C ATOM 420 OD1 ASP A 25 -6.330 13.926 -13.344 1.00 0.00 O ATOM 421 OD2 ASP A 25 -4.356 14.837 -13.039 1.00 0.00 O1- ATOM 0 H ASP A 25 -3.283 10.425 -12.505 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.418 11.247 -14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.182 12.050 -11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.565 12.646 -12.230 1.00 0.00 H new ATOM 426 N LYS A 26 -2.392 12.097 -15.074 1.00 0.00 N ATOM 427 CA LYS A 26 -1.591 12.661 -16.162 1.00 0.00 C ATOM 428 C LYS A 26 -1.658 11.774 -17.403 1.00 0.00 C ATOM 429 O LYS A 26 -1.249 12.177 -18.490 1.00 0.00 O ATOM 430 CB LYS A 26 -0.129 12.836 -15.721 1.00 0.00 C ATOM 431 CG LYS A 26 0.072 13.901 -14.650 1.00 0.00 C ATOM 432 CD LYS A 26 1.511 13.940 -14.140 1.00 0.00 C ATOM 433 CE LYS A 26 2.496 14.309 -15.241 1.00 0.00 C ATOM 434 NZ LYS A 26 3.886 14.419 -14.727 1.00 0.00 N ATOM 0 H LYS A 26 -1.847 11.617 -14.358 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.004 13.638 -16.411 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.243 11.883 -15.345 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.474 13.093 -16.592 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.195 14.877 -15.056 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.602 13.707 -13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.588 14.662 -13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.776 12.966 -13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.459 13.556 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.199 15.256 -15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.526 14.672 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.928 15.155 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.179 13.508 -14.320 1.00 0.00 H new ATOM 448 N GLY A 27 -2.169 10.562 -17.225 1.00 0.00 N ATOM 449 CA GLY A 27 -2.299 9.639 -18.333 1.00 0.00 C ATOM 450 C GLY A 27 -0.974 9.031 -18.739 1.00 0.00 C ATOM 451 O GLY A 27 -0.786 8.643 -19.894 1.00 0.00 O ATOM 0 H GLY A 27 -2.497 10.202 -16.329 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.992 8.843 -18.059 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.733 10.160 -19.187 1.00 0.00 H new ATOM 455 N ASP A 28 -0.053 8.942 -17.798 1.00 0.00 N ATOM 456 CA ASP A 28 1.255 8.380 -18.087 1.00 0.00 C ATOM 457 C ASP A 28 1.300 6.918 -17.672 1.00 0.00 C ATOM 458 O ASP A 28 1.584 6.591 -16.520 1.00 0.00 O ATOM 459 CB ASP A 28 2.359 9.168 -17.386 1.00 0.00 C ATOM 460 CG ASP A 28 3.733 8.860 -17.945 1.00 0.00 C ATOM 461 OD1 ASP A 28 4.270 7.771 -17.668 1.00 0.00 O ATOM 462 OD2 ASP A 28 4.287 9.717 -18.665 1.00 0.00 O1- ATOM 0 H ASP A 28 -0.183 9.249 -16.834 1.00 0.00 H new ATOM 0 HA ASP A 28 1.426 8.448 -19.161 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.160 10.235 -17.486 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.344 8.940 -16.320 1.00 0.00 H new ATOM 467 N ASP A 29 0.993 6.044 -18.613 1.00 0.00 N ATOM 468 CA ASP A 29 0.950 4.604 -18.355 1.00 0.00 C ATOM 469 C ASP A 29 2.348 4.032 -18.132 1.00 0.00 C ATOM 470 O ASP A 29 2.513 3.034 -17.428 1.00 0.00 O ATOM 471 CB ASP A 29 0.269 3.871 -19.521 1.00 0.00 C ATOM 472 CG ASP A 29 1.086 3.916 -20.800 1.00 0.00 C ATOM 473 OD1 ASP A 29 1.019 4.940 -21.522 1.00 0.00 O ATOM 474 OD2 ASP A 29 1.805 2.936 -21.083 1.00 0.00 O1- ATOM 0 H ASP A 29 0.767 6.303 -19.573 1.00 0.00 H new ATOM 0 HA ASP A 29 0.371 4.451 -17.444 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.098 2.832 -19.241 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.709 4.317 -19.704 1.00 0.00 H new ATOM 479 N ASP A 30 3.346 4.679 -18.716 1.00 0.00 N ATOM 480 CA ASP A 30 4.732 4.220 -18.615 1.00 0.00 C ATOM 481 C ASP A 30 5.236 4.291 -17.177 1.00 0.00 C ATOM 482 O ASP A 30 5.767 3.313 -16.641 1.00 0.00 O ATOM 483 CB ASP A 30 5.631 5.057 -19.528 1.00 0.00 C ATOM 484 CG ASP A 30 7.101 4.735 -19.358 1.00 0.00 C ATOM 485 OD1 ASP A 30 7.789 5.472 -18.623 1.00 0.00 O ATOM 486 OD2 ASP A 30 7.571 3.746 -19.962 1.00 0.00 O1- ATOM 0 H ASP A 30 3.225 5.528 -19.268 1.00 0.00 H new ATOM 0 HA ASP A 30 4.766 3.178 -18.933 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.344 4.889 -20.566 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.469 6.115 -19.320 1.00 0.00 H new ATOM 491 N SER A 31 5.058 5.440 -16.561 1.00 0.00 N ATOM 492 CA SER A 31 5.476 5.654 -15.187 1.00 0.00 C ATOM 493 C SER A 31 4.577 4.896 -14.220 1.00 0.00 C ATOM 494 O SER A 31 5.018 4.459 -13.159 1.00 0.00 O ATOM 495 CB SER A 31 5.476 7.144 -14.859 1.00 0.00 C ATOM 496 OG SER A 31 6.170 7.874 -15.857 1.00 0.00 O ATOM 0 H SER A 31 4.620 6.253 -16.995 1.00 0.00 H new ATOM 0 HA SER A 31 6.491 5.271 -15.076 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.450 7.505 -14.783 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.944 7.308 -13.889 1.00 0.00 H new ATOM 0 HG SER A 31 5.649 7.870 -16.687 1.00 0.00 H new ATOM 502 N LEU A 32 3.322 4.726 -14.613 1.00 0.00 N ATOM 503 CA LEU A 32 2.316 4.115 -13.756 1.00 0.00 C ATOM 504 C LEU A 32 2.711 2.689 -13.343 1.00 0.00 C ATOM 505 O LEU A 32 2.649 2.346 -12.163 1.00 0.00 O ATOM 506 CB LEU A 32 0.974 4.089 -14.492 1.00 0.00 C ATOM 507 CG LEU A 32 -0.262 3.824 -13.639 1.00 0.00 C ATOM 508 CD1 LEU A 32 -0.551 5.012 -12.738 1.00 0.00 C ATOM 509 CD2 LEU A 32 -1.458 3.524 -14.522 1.00 0.00 C ATOM 0 H LEU A 32 2.974 5.006 -15.530 1.00 0.00 H new ATOM 0 HA LEU A 32 2.235 4.712 -12.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.842 5.046 -14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.024 3.325 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.069 2.955 -13.010 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.436 4.806 -12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.301 5.186 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.726 5.898 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.333 3.337 -13.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.652 4.376 -15.173 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.250 2.643 -15.129 1.00 0.00 H new ATOM 521 N GLU A 33 3.144 1.873 -14.304 1.00 0.00 N ATOM 522 CA GLU A 33 3.555 0.504 -14.002 1.00 0.00 C ATOM 523 C GLU A 33 4.805 0.497 -13.118 1.00 0.00 C ATOM 524 O GLU A 33 4.934 -0.323 -12.210 1.00 0.00 O ATOM 525 CB GLU A 33 3.805 -0.282 -15.290 1.00 0.00 C ATOM 526 CG GLU A 33 4.225 -1.729 -15.063 1.00 0.00 C ATOM 527 CD GLU A 33 3.143 -2.580 -14.407 1.00 0.00 C ATOM 528 OE1 GLU A 33 2.228 -3.042 -15.126 1.00 0.00 O ATOM 529 OE2 GLU A 33 3.217 -2.815 -13.176 1.00 0.00 O1- ATOM 0 H GLU A 33 3.219 2.133 -15.287 1.00 0.00 H new ATOM 0 HA GLU A 33 2.746 0.019 -13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.897 -0.269 -15.893 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.579 0.224 -15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.496 -2.175 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.118 -1.746 -14.439 1.00 0.00 H new ATOM 536 N GLN A 34 5.713 1.431 -13.379 1.00 0.00 N ATOM 537 CA GLN A 34 6.946 1.533 -12.609 1.00 0.00 C ATOM 538 C GLN A 34 6.652 1.829 -11.145 1.00 0.00 C ATOM 539 O GLN A 34 7.284 1.263 -10.253 1.00 0.00 O ATOM 540 CB GLN A 34 7.876 2.597 -13.196 1.00 0.00 C ATOM 541 CG GLN A 34 8.417 2.240 -14.572 1.00 0.00 C ATOM 542 CD GLN A 34 9.188 0.931 -14.571 1.00 0.00 C ATOM 543 OE1 GLN A 34 8.618 -0.143 -14.780 1.00 0.00 O ATOM 544 NE2 GLN A 34 10.483 1.007 -14.345 1.00 0.00 N ATOM 0 H GLN A 34 5.618 2.128 -14.118 1.00 0.00 H new ATOM 0 HA GLN A 34 7.453 0.570 -12.667 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.338 3.543 -13.260 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.713 2.752 -12.515 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.589 2.170 -15.278 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.068 3.041 -14.922 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.919 1.914 -14.176 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.050 0.159 -14.339 1.00 0.00 H new ATOM 553 N VAL A 35 5.679 2.700 -10.901 1.00 0.00 N ATOM 554 CA VAL A 35 5.288 3.034 -9.538 1.00 0.00 C ATOM 555 C VAL A 35 4.606 1.843 -8.884 1.00 0.00 C ATOM 556 O VAL A 35 4.792 1.590 -7.695 1.00 0.00 O ATOM 557 CB VAL A 35 4.355 4.261 -9.487 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.008 4.623 -8.047 1.00 0.00 C ATOM 559 CG2 VAL A 35 4.998 5.436 -10.187 1.00 0.00 C ATOM 0 H VAL A 35 5.149 3.185 -11.626 1.00 0.00 H new ATOM 0 HA VAL A 35 6.197 3.285 -8.991 1.00 0.00 H new ATOM 0 HB VAL A 35 3.429 4.008 -10.004 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.349 5.491 -8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.505 3.781 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.922 4.856 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.329 6.296 -10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.938 5.683 -9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.191 5.178 -11.228 1.00 0.00 H new ATOM 569 N LEU A 36 3.832 1.094 -9.673 1.00 0.00 N ATOM 570 CA LEU A 36 3.179 -0.109 -9.170 1.00 0.00 C ATOM 571 C LEU A 36 4.241 -1.086 -8.689 1.00 0.00 C ATOM 572 O LEU A 36 4.104 -1.716 -7.644 1.00 0.00 O ATOM 573 CB LEU A 36 2.323 -0.775 -10.263 1.00 0.00 C ATOM 574 CG LEU A 36 1.150 0.044 -10.810 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.435 -0.722 -11.912 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.177 0.400 -9.700 1.00 0.00 C ATOM 0 H LEU A 36 3.645 1.300 -10.654 1.00 0.00 H new ATOM 0 HA LEU A 36 2.521 0.170 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.976 -1.034 -11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.929 -1.710 -9.865 1.00 0.00 H new ATOM 0 HG LEU A 36 1.547 0.969 -11.228 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.396 -0.126 -12.290 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.133 -0.927 -12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.055 -1.663 -11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.648 0.982 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.212 -0.514 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.691 0.988 -8.940 1.00 0.00 H new ATOM 588 N GLU A 37 5.314 -1.175 -9.456 1.00 0.00 N ATOM 589 CA GLU A 37 6.444 -2.023 -9.126 1.00 0.00 C ATOM 590 C GLU A 37 7.100 -1.555 -7.827 1.00 0.00 C ATOM 591 O GLU A 37 7.483 -2.369 -6.975 1.00 0.00 O ATOM 592 CB GLU A 37 7.451 -1.988 -10.267 1.00 0.00 C ATOM 593 CG GLU A 37 8.750 -2.699 -9.974 1.00 0.00 C ATOM 594 CD GLU A 37 9.711 -2.598 -11.121 1.00 0.00 C ATOM 595 OE1 GLU A 37 10.501 -1.631 -11.156 1.00 0.00 O ATOM 596 OE2 GLU A 37 9.671 -3.472 -12.005 1.00 0.00 O1- ATOM 0 H GLU A 37 5.425 -0.659 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 37 6.095 -3.046 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.997 -2.437 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.667 -0.948 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.205 -2.272 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.549 -3.749 -9.759 1.00 0.00 H new ATOM 603 N GLU A 38 7.220 -0.241 -7.680 1.00 0.00 N ATOM 604 CA GLU A 38 7.796 0.352 -6.483 1.00 0.00 C ATOM 605 C GLU A 38 6.956 0.005 -5.266 1.00 0.00 C ATOM 606 O GLU A 38 7.489 -0.341 -4.208 1.00 0.00 O ATOM 607 CB GLU A 38 7.898 1.871 -6.633 1.00 0.00 C ATOM 608 CG GLU A 38 8.870 2.327 -7.707 1.00 0.00 C ATOM 609 CD GLU A 38 8.890 3.831 -7.859 1.00 0.00 C ATOM 610 OE1 GLU A 38 9.113 4.530 -6.848 1.00 0.00 O ATOM 611 OE2 GLU A 38 8.692 4.327 -8.985 1.00 0.00 O1- ATOM 0 H GLU A 38 6.923 0.437 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 38 8.799 -0.054 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.909 2.269 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.202 2.299 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.872 1.975 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.597 1.871 -8.659 1.00 0.00 H new ATOM 618 N ILE A 39 5.642 0.079 -5.432 1.00 0.00 N ATOM 619 CA ILE A 39 4.708 -0.236 -4.364 1.00 0.00 C ATOM 620 C ILE A 39 4.894 -1.671 -3.896 1.00 0.00 C ATOM 621 O ILE A 39 4.870 -1.948 -2.698 1.00 0.00 O ATOM 622 CB ILE A 39 3.237 -0.050 -4.820 1.00 0.00 C ATOM 623 CG1 ILE A 39 2.959 1.406 -5.209 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.274 -0.501 -3.730 1.00 0.00 C ATOM 625 CD1 ILE A 39 3.097 2.384 -4.065 1.00 0.00 C ATOM 0 H ILE A 39 5.197 0.358 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 39 4.916 0.453 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 39 3.080 -0.672 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.644 1.696 -6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.950 1.477 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.248 -0.362 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.443 -1.555 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.441 0.090 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.885 3.392 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.393 2.122 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.113 2.344 -3.673 1.00 0.00 H new ATOM 637 N GLU A 40 5.115 -2.572 -4.845 1.00 0.00 N ATOM 638 CA GLU A 40 5.267 -3.988 -4.532 1.00 0.00 C ATOM 639 C GLU A 40 6.449 -4.219 -3.607 1.00 0.00 C ATOM 640 O GLU A 40 6.369 -5.018 -2.668 1.00 0.00 O ATOM 641 CB GLU A 40 5.407 -4.810 -5.810 1.00 0.00 C ATOM 642 CG GLU A 40 4.200 -4.693 -6.720 1.00 0.00 C ATOM 643 CD GLU A 40 4.275 -5.588 -7.928 1.00 0.00 C ATOM 644 OE1 GLU A 40 4.986 -5.241 -8.893 1.00 0.00 O ATOM 645 OE2 GLU A 40 3.593 -6.635 -7.938 1.00 0.00 O1- ATOM 0 H GLU A 40 5.193 -2.348 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 40 4.368 -4.317 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.296 -4.485 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.559 -5.857 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.301 -4.935 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.101 -3.659 -7.049 1.00 0.00 H new ATOM 652 N GLU A 41 7.536 -3.508 -3.862 1.00 0.00 N ATOM 653 CA GLU A 41 8.720 -3.601 -3.029 1.00 0.00 C ATOM 654 C GLU A 41 8.455 -2.968 -1.664 1.00 0.00 C ATOM 655 O GLU A 41 8.829 -3.516 -0.637 1.00 0.00 O ATOM 656 CB GLU A 41 9.905 -2.915 -3.706 1.00 0.00 C ATOM 657 CG GLU A 41 11.219 -3.051 -2.946 1.00 0.00 C ATOM 658 CD GLU A 41 11.664 -4.492 -2.805 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.118 -5.074 -3.811 1.00 0.00 O ATOM 660 OE2 GLU A 41 11.578 -5.041 -1.685 1.00 0.00 O1- ATOM 0 H GLU A 41 7.621 -2.858 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 41 8.963 -4.654 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.031 -3.332 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.677 -1.856 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.994 -2.484 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.109 -2.610 -1.955 1.00 0.00 H new ATOM 667 N LEU A 42 7.781 -1.819 -1.667 1.00 0.00 N ATOM 668 CA LEU A 42 7.475 -1.105 -0.425 1.00 0.00 C ATOM 669 C LEU A 42 6.605 -1.958 0.489 1.00 0.00 C ATOM 670 O LEU A 42 6.845 -2.032 1.697 1.00 0.00 O ATOM 671 CB LEU A 42 6.781 0.228 -0.720 1.00 0.00 C ATOM 672 CG LEU A 42 7.583 1.231 -1.552 1.00 0.00 C ATOM 673 CD1 LEU A 42 6.778 2.500 -1.782 1.00 0.00 C ATOM 674 CD2 LEU A 42 8.910 1.556 -0.878 1.00 0.00 C ATOM 0 H LEU A 42 7.437 -1.363 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 42 8.417 -0.900 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.845 0.021 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.522 0.698 0.229 1.00 0.00 H new ATOM 0 HG LEU A 42 7.795 0.776 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.365 3.201 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.858 2.256 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.533 2.954 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.462 2.271 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.723 1.987 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.496 0.643 -0.769 1.00 0.00 H new ATOM 686 N ILE A 43 5.601 -2.606 -0.092 1.00 0.00 N ATOM 687 CA ILE A 43 4.733 -3.501 0.663 1.00 0.00 C ATOM 688 C ILE A 43 5.559 -4.638 1.253 1.00 0.00 C ATOM 689 O ILE A 43 5.413 -4.988 2.423 1.00 0.00 O ATOM 690 CB ILE A 43 3.615 -4.105 -0.229 1.00 0.00 C ATOM 691 CG1 ILE A 43 2.718 -3.004 -0.796 1.00 0.00 C ATOM 692 CG2 ILE A 43 2.783 -5.109 0.564 1.00 0.00 C ATOM 693 CD1 ILE A 43 1.695 -3.510 -1.797 1.00 0.00 C ATOM 0 H ILE A 43 5.369 -2.528 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 43 4.265 -2.916 1.455 1.00 0.00 H new ATOM 0 HB ILE A 43 4.089 -4.624 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.198 -2.512 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.342 -2.250 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.004 -5.523 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.426 -5.914 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.324 -4.608 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.094 -2.675 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.208 -3.977 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.047 -4.242 -1.316 1.00 0.00 H new ATOM 705 N GLN A 44 6.446 -5.183 0.433 1.00 0.00 N ATOM 706 CA GLN A 44 7.316 -6.272 0.829 1.00 0.00 C ATOM 707 C GLN A 44 8.242 -5.847 1.975 1.00 0.00 C ATOM 708 O GLN A 44 8.467 -6.609 2.920 1.00 0.00 O ATOM 709 CB GLN A 44 8.113 -6.747 -0.391 1.00 0.00 C ATOM 710 CG GLN A 44 9.250 -7.688 -0.078 1.00 0.00 C ATOM 711 CD GLN A 44 9.825 -8.325 -1.324 1.00 0.00 C ATOM 712 OE1 GLN A 44 9.422 -9.424 -1.716 1.00 0.00 O ATOM 713 NE2 GLN A 44 10.737 -7.634 -1.977 1.00 0.00 N ATOM 0 H GLN A 44 6.580 -4.878 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 44 6.713 -7.100 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.431 -7.241 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.514 -5.875 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.036 -7.144 0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.898 -8.468 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.044 -6.729 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.136 -8.004 -2.840 1.00 0.00 H new ATOM 722 N LYS A 45 8.757 -4.627 1.894 1.00 0.00 N ATOM 723 CA LYS A 45 9.610 -4.081 2.944 1.00 0.00 C ATOM 724 C LYS A 45 8.825 -3.933 4.241 1.00 0.00 C ATOM 725 O LYS A 45 9.310 -4.287 5.316 1.00 0.00 O ATOM 726 CB LYS A 45 10.175 -2.724 2.524 1.00 0.00 C ATOM 727 CG LYS A 45 11.095 -2.787 1.318 1.00 0.00 C ATOM 728 CD LYS A 45 11.480 -1.398 0.830 1.00 0.00 C ATOM 729 CE LYS A 45 12.276 -0.629 1.874 1.00 0.00 C ATOM 730 NZ LYS A 45 12.648 0.725 1.396 1.00 0.00 N ATOM 0 H LYS A 45 8.599 -3.994 1.110 1.00 0.00 H new ATOM 0 HA LYS A 45 10.437 -4.772 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.348 -2.050 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.721 -2.293 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.995 -3.344 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.602 -3.332 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.068 -1.485 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.579 -0.840 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.689 -0.543 2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.178 -1.186 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.189 1.218 2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.230 0.643 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.786 1.266 1.179 1.00 0.00 H new ATOM 744 N HIS A 46 7.604 -3.419 4.129 1.00 0.00 N ATOM 745 CA HIS A 46 6.742 -3.229 5.289 1.00 0.00 C ATOM 746 C HIS A 46 6.409 -4.570 5.934 1.00 0.00 C ATOM 747 O HIS A 46 6.363 -4.684 7.154 1.00 0.00 O ATOM 748 CB HIS A 46 5.453 -2.493 4.895 1.00 0.00 C ATOM 749 CG HIS A 46 4.582 -2.129 6.065 1.00 0.00 C ATOM 750 ND1 HIS A 46 3.400 -2.766 6.375 1.00 0.00 N ATOM 751 CD2 HIS A 46 4.746 -1.169 7.010 1.00 0.00 C ATOM 752 CE1 HIS A 46 2.896 -2.186 7.471 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.676 -1.212 7.897 1.00 0.00 N ATOM 0 H HIS A 46 7.189 -3.126 3.244 1.00 0.00 H new ATOM 0 HA HIS A 46 7.279 -2.618 6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.715 -1.585 4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.882 -3.120 4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.576 -0.480 7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.970 -2.478 7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.526 -0.614 8.709 1.00 0.00 H new ATOM 761 N ARG A 47 6.184 -5.585 5.103 1.00 0.00 N ATOM 762 CA ARG A 47 5.885 -6.927 5.594 1.00 0.00 C ATOM 763 C ARG A 47 7.050 -7.459 6.418 1.00 0.00 C ATOM 764 O ARG A 47 6.853 -8.051 7.479 1.00 0.00 O ATOM 765 CB ARG A 47 5.582 -7.873 4.428 1.00 0.00 C ATOM 766 CG ARG A 47 4.317 -7.517 3.663 1.00 0.00 C ATOM 767 CD ARG A 47 4.172 -8.345 2.395 1.00 0.00 C ATOM 768 NE ARG A 47 3.999 -9.768 2.674 1.00 0.00 N ATOM 769 CZ ARG A 47 3.815 -10.701 1.734 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.804 -10.364 0.446 1.00 0.00 N ATOM 771 NH2 ARG A 47 3.648 -11.966 2.082 1.00 0.00 N ATOM 0 H ARG A 47 6.203 -5.503 4.086 1.00 0.00 H new ATOM 0 HA ARG A 47 5.002 -6.872 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.426 -7.867 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.490 -8.889 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.449 -7.676 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.334 -6.458 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.317 -7.983 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.054 -8.205 1.770 1.00 0.00 H new ATOM 0 HE ARG A 47 4.020 -10.069 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.936 -9.390 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.663 -11.080 -0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.660 -12.230 3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.508 -12.678 1.365 1.00 0.00 H new ATOM 785 N GLN A 48 8.263 -7.216 5.933 1.00 0.00 N ATOM 786 CA GLN A 48 9.469 -7.638 6.623 1.00 0.00 C ATOM 787 C GLN A 48 9.570 -6.946 7.979 1.00 0.00 C ATOM 788 O GLN A 48 9.872 -7.577 8.991 1.00 0.00 O ATOM 789 CB GLN A 48 10.694 -7.297 5.769 1.00 0.00 C ATOM 790 CG GLN A 48 12.020 -7.731 6.366 1.00 0.00 C ATOM 791 CD GLN A 48 12.151 -9.238 6.483 1.00 0.00 C ATOM 792 OE1 GLN A 48 11.592 -9.990 5.687 1.00 0.00 O ATOM 793 NE2 GLN A 48 12.890 -9.685 7.472 1.00 0.00 N ATOM 0 H GLN A 48 8.434 -6.724 5.056 1.00 0.00 H new ATOM 0 HA GLN A 48 9.430 -8.715 6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.580 -7.764 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.719 -6.219 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.833 -7.348 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.131 -7.284 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.337 -9.028 8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.017 -10.689 7.601 1.00 0.00 H new ATOM 802 N LEU A 49 9.289 -5.650 7.991 1.00 0.00 N ATOM 803 CA LEU A 49 9.353 -4.856 9.209 1.00 0.00 C ATOM 804 C LEU A 49 8.260 -5.260 10.193 1.00 0.00 C ATOM 805 O LEU A 49 8.505 -5.368 11.389 1.00 0.00 O ATOM 806 CB LEU A 49 9.241 -3.365 8.884 1.00 0.00 C ATOM 807 CG LEU A 49 10.362 -2.784 8.016 1.00 0.00 C ATOM 808 CD1 LEU A 49 10.102 -1.317 7.721 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.716 -2.960 8.694 1.00 0.00 C ATOM 0 H LEU A 49 9.012 -5.123 7.163 1.00 0.00 H new ATOM 0 HA LEU A 49 10.319 -5.046 9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.290 -3.193 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.209 -2.810 9.821 1.00 0.00 H new ATOM 0 HG LEU A 49 10.379 -3.329 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.909 -0.922 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.155 -1.215 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.055 -0.760 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.497 -2.541 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.712 -2.444 9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.908 -4.021 8.853 1.00 0.00 H new ATOM 821 N PHE A 50 7.057 -5.489 9.682 1.00 0.00 N ATOM 822 CA PHE A 50 5.930 -5.870 10.523 1.00 0.00 C ATOM 823 C PHE A 50 6.148 -7.250 11.142 1.00 0.00 C ATOM 824 O PHE A 50 5.893 -7.454 12.329 1.00 0.00 O ATOM 825 CB PHE A 50 4.621 -5.846 9.721 1.00 0.00 C ATOM 826 CG PHE A 50 3.395 -6.103 10.557 1.00 0.00 C ATOM 827 CD1 PHE A 50 2.838 -5.089 11.321 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.803 -7.356 10.580 1.00 0.00 C ATOM 829 CE1 PHE A 50 1.715 -5.321 12.092 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.679 -7.593 11.350 1.00 0.00 C ATOM 831 CZ PHE A 50 1.136 -6.574 12.106 1.00 0.00 C ATOM 0 H PHE A 50 6.837 -5.417 8.689 1.00 0.00 H new ATOM 0 HA PHE A 50 5.856 -5.142 11.331 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.521 -4.876 9.234 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.675 -6.595 8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.287 -4.107 11.313 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.224 -8.156 9.990 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.291 -4.523 12.683 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.227 -8.574 11.360 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.258 -6.757 12.708 1.00 0.00 H new ATOM 841 N ASP A 51 6.634 -8.187 10.340 1.00 0.00 N ATOM 842 CA ASP A 51 6.892 -9.547 10.816 1.00 0.00 C ATOM 843 C ASP A 51 8.042 -9.559 11.820 1.00 0.00 C ATOM 844 O ASP A 51 8.075 -10.376 12.739 1.00 0.00 O ATOM 845 CB ASP A 51 7.207 -10.476 9.641 1.00 0.00 C ATOM 846 CG ASP A 51 7.465 -11.904 10.077 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.487 -12.651 10.300 1.00 0.00 O ATOM 848 OD2 ASP A 51 8.649 -12.293 10.185 1.00 0.00 O1- ATOM 0 H ASP A 51 6.859 -8.035 9.357 1.00 0.00 H new ATOM 0 HA ASP A 51 5.993 -9.908 11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.375 -10.460 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.081 -10.099 9.110 1.00 0.00 H new ATOM 853 N ASN A 52 8.979 -8.644 11.643 1.00 0.00 N ATOM 854 CA ASN A 52 10.117 -8.529 12.546 1.00 0.00 C ATOM 855 C ASN A 52 9.707 -7.799 13.824 1.00 0.00 C ATOM 856 O ASN A 52 10.298 -7.996 14.883 1.00 0.00 O ATOM 857 CB ASN A 52 11.277 -7.799 11.853 1.00 0.00 C ATOM 858 CG ASN A 52 12.546 -7.764 12.689 1.00 0.00 C ATOM 859 OD1 ASN A 52 13.342 -8.706 12.669 1.00 0.00 O ATOM 860 ND2 ASN A 52 12.757 -6.680 13.403 1.00 0.00 N ATOM 0 H ASN A 52 8.976 -7.967 10.880 1.00 0.00 H new ATOM 0 HA ASN A 52 10.454 -9.530 12.814 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.489 -8.288 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.971 -6.778 11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.603 -6.597 13.966 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.074 -5.922 13.393 1.00 0.00 H new ATOM 867 N ARG A 53 8.678 -6.965 13.713 1.00 0.00 N ATOM 868 CA ARG A 53 8.159 -6.210 14.848 1.00 0.00 C ATOM 869 C ARG A 53 7.656 -7.149 15.947 1.00 0.00 C ATOM 870 O ARG A 53 7.861 -6.893 17.139 1.00 0.00 O ATOM 871 CB ARG A 53 7.037 -5.256 14.379 1.00 0.00 C ATOM 872 CG ARG A 53 6.225 -4.607 15.499 1.00 0.00 C ATOM 873 CD ARG A 53 7.110 -3.885 16.502 1.00 0.00 C ATOM 874 NE ARG A 53 7.892 -2.809 15.900 1.00 0.00 N ATOM 875 CZ ARG A 53 8.928 -2.224 16.503 1.00 0.00 C ATOM 876 NH1 ARG A 53 9.336 -2.657 17.697 1.00 0.00 N ATOM 877 NH2 ARG A 53 9.565 -1.221 15.913 1.00 0.00 N ATOM 0 H ARG A 53 8.182 -6.794 12.838 1.00 0.00 H new ATOM 0 HA ARG A 53 8.969 -5.614 15.269 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.482 -4.468 13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.357 -5.811 13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.515 -3.901 15.069 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.643 -5.371 16.014 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.488 -3.474 17.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.786 -4.603 16.965 1.00 0.00 H new ATOM 0 HE ARG A 53 7.632 -2.487 14.968 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.856 -3.435 18.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.128 -2.210 18.158 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.263 -0.895 14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.357 -0.776 16.377 1.00 0.00 H new ATOM 891 N GLN A 54 7.028 -8.236 15.551 1.00 0.00 N ATOM 892 CA GLN A 54 6.538 -9.209 16.503 1.00 0.00 C ATOM 893 C GLN A 54 6.476 -10.590 15.876 1.00 0.00 C ATOM 894 O GLN A 54 5.974 -10.761 14.762 1.00 0.00 O ATOM 895 CB GLN A 54 5.175 -8.794 17.071 1.00 0.00 C ATOM 896 CG GLN A 54 4.056 -8.698 16.049 1.00 0.00 C ATOM 897 CD GLN A 54 2.770 -8.196 16.667 1.00 0.00 C ATOM 898 OE1 GLN A 54 2.492 -6.995 16.671 1.00 0.00 O ATOM 899 NE2 GLN A 54 1.997 -9.101 17.230 1.00 0.00 N ATOM 0 H GLN A 54 6.845 -8.468 14.575 1.00 0.00 H new ATOM 0 HA GLN A 54 7.240 -9.249 17.336 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.885 -9.511 17.839 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.282 -7.827 17.562 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.357 -8.029 15.243 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.886 -9.678 15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.263 -10.085 17.205 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.132 -8.818 17.691 1.00 0.00 H new ATOM 908 N GLU A 55 7.000 -11.566 16.585 1.00 0.00 N ATOM 909 CA GLU A 55 7.047 -12.923 16.088 1.00 0.00 C ATOM 910 C GLU A 55 5.819 -13.709 16.528 1.00 0.00 C ATOM 911 O GLU A 55 5.095 -13.290 17.447 1.00 0.00 O ATOM 912 CB GLU A 55 8.331 -13.607 16.549 1.00 0.00 C ATOM 913 CG GLU A 55 9.586 -12.837 16.164 1.00 0.00 C ATOM 914 CD GLU A 55 10.856 -13.563 16.522 1.00 0.00 C ATOM 915 OE1 GLU A 55 11.391 -14.286 15.656 1.00 0.00 O ATOM 916 OE2 GLU A 55 11.338 -13.408 17.665 1.00 0.00 O1- ATOM 0 H GLU A 55 7.402 -11.443 17.514 1.00 0.00 H new ATOM 0 HA GLU A 55 7.044 -12.893 14.998 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.303 -13.728 17.632 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.378 -14.607 16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.573 -12.646 15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.577 -11.867 16.660 1.00 0.00 H new ATOM 923 N ALA A 56 5.581 -14.841 15.854 1.00 0.00 N ATOM 924 CA ALA A 56 4.425 -15.705 16.114 1.00 0.00 C ATOM 925 C ALA A 56 3.130 -15.004 15.717 1.00 0.00 C ATOM 926 O ALA A 56 2.042 -15.342 16.199 1.00 0.00 O ATOM 927 CB ALA A 56 4.382 -16.154 17.573 1.00 0.00 C ATOM 0 H ALA A 56 6.188 -15.184 15.110 1.00 0.00 H new ATOM 0 HA ALA A 56 4.530 -16.600 15.500 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.513 -16.793 17.732 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.289 -16.710 17.809 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.313 -15.280 18.221 1.00 0.00 H new ATOM 933 N ALA A 57 3.255 -14.042 14.817 1.00 0.00 N ATOM 934 CA ALA A 57 2.121 -13.280 14.327 1.00 0.00 C ATOM 935 C ALA A 57 2.043 -13.382 12.813 1.00 0.00 C ATOM 936 O ALA A 57 1.455 -12.528 12.144 1.00 0.00 O ATOM 937 CB ALA A 57 2.243 -11.826 14.756 1.00 0.00 C ATOM 0 H ALA A 57 4.147 -13.768 14.406 1.00 0.00 H new ATOM 0 HA ALA A 57 1.206 -13.691 14.753 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.387 -11.264 14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.269 -11.769 15.844 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.161 -11.402 14.349 1.00 0.00 H new ATOM 943 N ASP A 58 2.601 -14.465 12.284 1.00 0.00 N ATOM 944 CA ASP A 58 2.657 -14.685 10.841 1.00 0.00 C ATOM 945 C ASP A 58 1.264 -14.744 10.232 1.00 0.00 C ATOM 946 O ASP A 58 1.038 -14.216 9.149 1.00 0.00 O ATOM 947 CB ASP A 58 3.422 -15.974 10.527 1.00 0.00 C ATOM 948 CG ASP A 58 3.485 -16.270 9.040 1.00 0.00 C ATOM 949 OD1 ASP A 58 2.712 -17.123 8.566 1.00 0.00 O ATOM 950 OD2 ASP A 58 4.311 -15.645 8.340 1.00 0.00 O1- ATOM 0 H ASP A 58 3.024 -15.210 12.837 1.00 0.00 H new ATOM 0 HA ASP A 58 3.183 -13.840 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.435 -15.895 10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.945 -16.809 11.040 1.00 0.00 H new ATOM 955 N THR A 59 0.332 -15.362 10.941 1.00 0.00 N ATOM 956 CA THR A 59 -1.036 -15.480 10.454 1.00 0.00 C ATOM 957 C THR A 59 -1.711 -14.101 10.331 1.00 0.00 C ATOM 958 O THR A 59 -2.422 -13.832 9.361 1.00 0.00 O ATOM 959 CB THR A 59 -1.888 -16.424 11.353 1.00 0.00 C ATOM 960 OG1 THR A 59 -3.237 -16.470 10.879 1.00 0.00 O ATOM 961 CG2 THR A 59 -1.873 -15.972 12.809 1.00 0.00 C ATOM 0 H THR A 59 0.496 -15.789 11.853 1.00 0.00 H new ATOM 0 HA THR A 59 -0.981 -15.923 9.459 1.00 0.00 H new ATOM 0 HB THR A 59 -1.447 -17.419 11.300 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.764 -17.067 11.450 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.478 -16.653 13.408 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.848 -15.975 13.180 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.283 -14.964 12.881 1.00 0.00 H new ATOM 969 N GLU A 60 -1.452 -13.221 11.293 1.00 0.00 N ATOM 970 CA GLU A 60 -2.035 -11.890 11.274 1.00 0.00 C ATOM 971 C GLU A 60 -1.387 -11.056 10.175 1.00 0.00 C ATOM 972 O GLU A 60 -2.058 -10.299 9.466 1.00 0.00 O ATOM 973 CB GLU A 60 -1.861 -11.214 12.637 1.00 0.00 C ATOM 974 CG GLU A 60 -2.624 -9.909 12.779 1.00 0.00 C ATOM 975 CD GLU A 60 -4.115 -10.083 12.573 1.00 0.00 C ATOM 976 OE1 GLU A 60 -4.789 -10.611 13.479 1.00 0.00 O ATOM 977 OE2 GLU A 60 -4.622 -9.683 11.515 1.00 0.00 O1- ATOM 0 H GLU A 60 -0.845 -13.407 12.091 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.102 -11.973 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.188 -11.902 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.801 -11.024 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.444 -9.492 13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.242 -9.188 12.056 1.00 0.00 H new ATOM 984 N ALA A 61 -0.078 -11.217 10.027 1.00 0.00 N ATOM 985 CA ALA A 61 0.665 -10.524 8.992 1.00 0.00 C ATOM 986 C ALA A 61 0.228 -11.007 7.614 1.00 0.00 C ATOM 987 O ALA A 61 0.196 -10.237 6.653 1.00 0.00 O ATOM 988 CB ALA A 61 2.161 -10.735 9.180 1.00 0.00 C ATOM 0 H ALA A 61 0.490 -11.826 10.616 1.00 0.00 H new ATOM 0 HA ALA A 61 0.455 -9.457 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.704 -10.209 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.464 -10.348 10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.388 -11.800 9.127 1.00 0.00 H new ATOM 994 N ALA A 62 -0.118 -12.285 7.530 1.00 0.00 N ATOM 995 CA ALA A 62 -0.569 -12.878 6.285 1.00 0.00 C ATOM 996 C ALA A 62 -1.951 -12.373 5.920 1.00 0.00 C ATOM 997 O ALA A 62 -2.223 -12.091 4.763 1.00 0.00 O ATOM 998 CB ALA A 62 -0.569 -14.398 6.382 1.00 0.00 C ATOM 0 H ALA A 62 -0.093 -12.932 8.318 1.00 0.00 H new ATOM 0 HA ALA A 62 0.125 -12.582 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.910 -14.823 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.441 -14.749 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.238 -14.711 7.184 1.00 0.00 H new ATOM 1004 N LYS A 63 -2.813 -12.237 6.921 1.00 0.00 N ATOM 1005 CA LYS A 63 -4.173 -11.770 6.697 1.00 0.00 C ATOM 1006 C LYS A 63 -4.179 -10.349 6.139 1.00 0.00 C ATOM 1007 O LYS A 63 -4.896 -10.048 5.186 1.00 0.00 O ATOM 1008 CB LYS A 63 -4.973 -11.829 8.006 1.00 0.00 C ATOM 1009 CG LYS A 63 -6.373 -11.235 7.908 1.00 0.00 C ATOM 1010 CD LYS A 63 -7.102 -11.292 9.244 1.00 0.00 C ATOM 1011 CE LYS A 63 -7.535 -12.709 9.598 1.00 0.00 C ATOM 1012 NZ LYS A 63 -8.522 -13.248 8.627 1.00 0.00 N ATOM 0 H LYS A 63 -2.593 -12.444 7.895 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.642 -12.425 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.053 -12.869 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.419 -11.300 8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.307 -10.200 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.947 -11.777 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.452 -10.905 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.978 -10.644 9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.661 -13.359 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.969 -12.716 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.026 -14.051 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.204 -12.504 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.027 -13.567 7.770 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.357 -9.491 6.717 1.00 0.00 N ATOM 1027 CA GLN A 64 -3.265 -8.111 6.268 1.00 0.00 C ATOM 1028 C GLN A 64 -2.498 -8.013 4.952 1.00 0.00 C ATOM 1029 O GLN A 64 -2.904 -7.297 4.033 1.00 0.00 O ATOM 1030 CB GLN A 64 -2.581 -7.253 7.333 1.00 0.00 C ATOM 1031 CG GLN A 64 -2.401 -5.795 6.932 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.647 -4.993 7.971 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -0.811 -5.527 8.699 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.932 -3.709 8.046 1.00 0.00 N ATOM 0 H GLN A 64 -2.744 -9.724 7.498 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.277 -7.741 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.166 -7.297 8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.604 -7.681 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.867 -5.747 5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.380 -5.343 6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.632 -3.305 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.453 -3.119 8.726 1.00 0.00 H new ATOM 1043 N GLY A 65 -1.401 -8.749 4.863 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.559 -8.688 3.691 1.00 0.00 C ATOM 1045 C GLY A 65 -1.216 -9.256 2.455 1.00 0.00 C ATOM 1046 O GLY A 65 -1.200 -8.626 1.403 1.00 0.00 O ATOM 0 H GLY A 65 -1.079 -9.391 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.283 -7.650 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.365 -9.233 3.886 1.00 0.00 H new ATOM 1050 N ASP A 66 -1.823 -10.425 2.586 1.00 0.00 N ATOM 1051 CA ASP A 66 -2.448 -11.089 1.443 1.00 0.00 C ATOM 1052 C ASP A 66 -3.601 -10.273 0.886 1.00 0.00 C ATOM 1053 O ASP A 66 -3.739 -10.141 -0.332 1.00 0.00 O ATOM 1054 CB ASP A 66 -2.932 -12.491 1.824 1.00 0.00 C ATOM 1055 CG ASP A 66 -3.672 -13.181 0.696 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -3.013 -13.645 -0.260 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -4.912 -13.274 0.767 1.00 0.00 O1- ATOM 0 H ASP A 66 -1.898 -10.935 3.466 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.689 -11.178 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.076 -13.099 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.586 -12.421 2.693 1.00 0.00 H new ATOM 1062 N GLN A 67 -4.407 -9.704 1.772 1.00 0.00 N ATOM 1063 CA GLN A 67 -5.546 -8.899 1.355 1.00 0.00 C ATOM 1064 C GLN A 67 -5.082 -7.632 0.643 1.00 0.00 C ATOM 1065 O GLN A 67 -5.608 -7.275 -0.409 1.00 0.00 O ATOM 1066 CB GLN A 67 -6.412 -8.538 2.574 1.00 0.00 C ATOM 1067 CG GLN A 67 -7.612 -7.641 2.264 1.00 0.00 C ATOM 1068 CD GLN A 67 -8.603 -8.278 1.305 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -8.511 -8.106 0.090 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -9.555 -9.012 1.840 1.00 0.00 N ATOM 0 H GLN A 67 -4.293 -9.785 2.782 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.144 -9.484 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.773 -9.459 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.785 -8.040 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.124 -7.395 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.256 -6.703 1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.599 -9.132 2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.249 -9.461 1.243 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.072 -6.981 1.200 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.561 -5.755 0.640 1.00 0.00 C ATOM 1081 C TRP A 68 -2.854 -6.001 -0.698 1.00 0.00 C ATOM 1082 O TRP A 68 -3.117 -5.310 -1.681 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.635 -5.074 1.642 1.00 0.00 C ATOM 1084 CG TRP A 68 -2.043 -3.804 1.144 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.742 -3.588 0.856 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.732 -2.578 0.870 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.561 -2.297 0.420 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.772 -1.657 0.419 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -4.065 -2.170 0.962 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -2.098 -0.355 0.059 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -4.389 -0.876 0.604 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -3.410 0.017 0.158 1.00 0.00 C ATOM 0 H TRP A 68 -3.592 -7.290 2.045 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.401 -5.091 0.437 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.191 -4.871 2.557 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.830 -5.761 1.904 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.043 -4.323 0.954 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.329 -1.883 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.827 -2.853 1.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.344 0.337 -0.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.416 -0.548 0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.696 1.022 -0.114 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.973 -7.001 -0.733 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.238 -7.330 -1.952 1.00 0.00 C ATOM 1105 C VAL A 69 -2.190 -7.734 -3.074 1.00 0.00 C ATOM 1106 O VAL A 69 -2.052 -7.273 -4.206 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.197 -8.463 -1.720 1.00 0.00 C ATOM 1108 CG1 VAL A 69 0.436 -8.904 -3.035 1.00 0.00 C ATOM 1109 CG2 VAL A 69 0.882 -8.005 -0.752 1.00 0.00 C ATOM 0 H VAL A 69 -1.752 -7.595 0.066 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.700 -6.428 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.722 -9.315 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.159 -9.696 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.339 -9.275 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.941 -8.056 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.601 -8.810 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.393 -7.134 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.427 -7.742 0.203 1.00 0.00 H new ATOM 1119 N GLN A 70 -3.173 -8.569 -2.748 1.00 0.00 N ATOM 1120 CA GLN A 70 -4.129 -9.031 -3.740 1.00 0.00 C ATOM 1121 C GLN A 70 -4.978 -7.872 -4.240 1.00 0.00 C ATOM 1122 O GLN A 70 -5.240 -7.759 -5.434 1.00 0.00 O ATOM 1123 CB GLN A 70 -5.012 -10.141 -3.171 1.00 0.00 C ATOM 1124 CG GLN A 70 -5.954 -10.761 -4.187 1.00 0.00 C ATOM 1125 CD GLN A 70 -6.682 -11.974 -3.642 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -6.163 -12.695 -2.790 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -7.885 -12.207 -4.124 1.00 0.00 N ATOM 0 H GLN A 70 -3.325 -8.936 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.574 -9.442 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.375 -10.922 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.598 -9.738 -2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.684 -10.015 -4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.388 -11.049 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.281 -11.586 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.421 -13.009 -3.792 1.00 0.00 H new ATOM 1136 N LEU A 71 -5.383 -6.997 -3.323 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.166 -5.836 -3.662 1.00 0.00 C ATOM 1138 C LEU A 71 -5.372 -4.927 -4.597 1.00 0.00 C ATOM 1139 O LEU A 71 -5.913 -4.378 -5.561 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.554 -5.094 -2.380 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.237 -3.755 -2.565 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -8.589 -3.918 -3.248 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -7.387 -3.040 -1.231 1.00 0.00 C ATOM 0 H LEU A 71 -5.172 -7.082 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.075 -6.144 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.213 -5.738 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.653 -4.940 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.609 -3.143 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.056 -2.941 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.449 -4.376 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.230 -4.555 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.880 -2.080 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.986 -3.651 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.402 -2.876 -0.794 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.084 -4.793 -4.317 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.202 -3.998 -5.145 1.00 0.00 C ATOM 1157 C PHE A 72 -3.050 -4.624 -6.534 1.00 0.00 C ATOM 1158 O PHE A 72 -3.035 -3.920 -7.547 1.00 0.00 O ATOM 1159 CB PHE A 72 -1.833 -3.843 -4.480 1.00 0.00 C ATOM 1160 CG PHE A 72 -0.833 -3.152 -5.350 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -0.897 -1.785 -5.550 1.00 0.00 C ATOM 1162 CD2 PHE A 72 0.165 -3.872 -5.984 1.00 0.00 C ATOM 1163 CE1 PHE A 72 0.013 -1.151 -6.363 1.00 0.00 C ATOM 1164 CE2 PHE A 72 1.078 -3.244 -6.795 1.00 0.00 C ATOM 1165 CZ PHE A 72 1.003 -1.883 -6.986 1.00 0.00 C ATOM 0 H PHE A 72 -3.628 -5.230 -3.516 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.646 -3.009 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.948 -3.282 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.453 -4.829 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.670 -1.209 -5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.226 -4.940 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.047 -0.083 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.853 -3.817 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.720 -1.387 -7.624 1.00 0.00 H new ATOM 1175 N GLN A 73 -2.938 -5.947 -6.578 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.823 -6.653 -7.845 1.00 0.00 C ATOM 1177 C GLN A 73 -4.087 -6.460 -8.675 1.00 0.00 C ATOM 1178 O GLN A 73 -4.027 -6.352 -9.897 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.543 -8.142 -7.630 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.214 -8.436 -6.940 1.00 0.00 C ATOM 1181 CD GLN A 73 -0.007 -7.890 -7.695 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -0.020 -7.774 -8.923 1.00 0.00 O ATOM 1183 NE2 GLN A 73 1.045 -7.563 -6.965 1.00 0.00 N ATOM 0 H GLN A 73 -2.925 -6.548 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.978 -6.232 -8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.350 -8.570 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.557 -8.646 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.231 -8.008 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.104 -9.514 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.017 -7.674 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.885 -7.200 -7.415 1.00 0.00 H new ATOM 1192 N ARG A 74 -5.237 -6.403 -7.999 1.00 0.00 N ATOM 1193 CA ARG A 74 -6.507 -6.162 -8.679 1.00 0.00 C ATOM 1194 C ARG A 74 -6.500 -4.782 -9.316 1.00 0.00 C ATOM 1195 O ARG A 74 -7.069 -4.582 -10.385 1.00 0.00 O ATOM 1196 CB ARG A 74 -7.698 -6.297 -7.724 1.00 0.00 C ATOM 1197 CG ARG A 74 -7.777 -7.634 -7.005 1.00 0.00 C ATOM 1198 CD ARG A 74 -7.654 -8.817 -7.962 1.00 0.00 C ATOM 1199 NE ARG A 74 -8.704 -8.829 -8.982 1.00 0.00 N ATOM 1200 CZ ARG A 74 -9.890 -9.417 -8.834 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -10.211 -10.011 -7.690 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -10.749 -9.407 -9.832 1.00 0.00 N ATOM 0 H ARG A 74 -5.313 -6.520 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.619 -6.920 -9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.645 -5.501 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.619 -6.146 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.984 -7.690 -6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.724 -7.700 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.680 -8.785 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.695 -9.746 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.515 -8.355 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.547 -10.019 -6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.122 -10.459 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.504 -8.951 -10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.659 -9.855 -9.726 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.858 -3.828 -8.643 1.00 0.00 N ATOM 1217 CA PHE A 75 -5.712 -2.481 -9.177 1.00 0.00 C ATOM 1218 C PHE A 75 -4.927 -2.538 -10.483 1.00 0.00 C ATOM 1219 O PHE A 75 -5.297 -1.908 -11.470 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.001 -1.570 -8.162 1.00 0.00 C ATOM 1221 CG PHE A 75 -4.859 -0.140 -8.615 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -5.876 0.771 -8.396 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -3.707 0.288 -9.258 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.751 2.083 -8.807 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.577 1.599 -9.672 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.600 2.497 -9.447 1.00 0.00 C ATOM 0 H PHE A 75 -5.432 -3.966 -7.727 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.701 -2.064 -9.369 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.554 -1.589 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.010 -1.975 -7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.779 0.452 -7.897 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.903 -0.411 -9.437 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.552 2.784 -8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.675 1.921 -10.172 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.500 3.522 -9.771 1.00 0.00 H new ATOM 1236 N ARG A 76 -3.847 -3.318 -10.480 1.00 0.00 N ATOM 1237 CA ARG A 76 -3.037 -3.515 -11.677 1.00 0.00 C ATOM 1238 C ARG A 76 -3.869 -4.192 -12.766 1.00 0.00 C ATOM 1239 O ARG A 76 -3.769 -3.847 -13.943 1.00 0.00 O ATOM 1240 CB ARG A 76 -1.786 -4.344 -11.357 1.00 0.00 C ATOM 1241 CG ARG A 76 -1.040 -4.834 -12.591 1.00 0.00 C ATOM 1242 CD ARG A 76 0.206 -5.617 -12.219 1.00 0.00 C ATOM 1243 NE ARG A 76 1.336 -4.745 -11.894 1.00 0.00 N ATOM 1244 CZ ARG A 76 2.201 -4.965 -10.904 1.00 0.00 C ATOM 1245 NH1 ARG A 76 2.021 -5.982 -10.065 1.00 0.00 N ATOM 1246 NH2 ARG A 76 3.244 -4.158 -10.753 1.00 0.00 N ATOM 0 H ARG A 76 -3.514 -3.824 -9.659 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.710 -2.541 -12.041 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.109 -3.743 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.076 -5.204 -10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.700 -5.462 -13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.763 -3.982 -13.211 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.012 -6.258 -11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.481 -6.271 -13.046 1.00 0.00 H new ATOM 0 HE ARG A 76 1.471 -3.911 -12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.217 -6.599 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.687 -6.144 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.380 -3.375 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.910 -4.321 -9.997 1.00 0.00 H new ATOM 1260 N GLU A 77 -4.694 -5.151 -12.358 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.588 -5.836 -13.277 1.00 0.00 C ATOM 1262 C GLU A 77 -6.549 -4.837 -13.908 1.00 0.00 C ATOM 1263 O GLU A 77 -6.789 -4.864 -15.114 1.00 0.00 O ATOM 1264 CB GLU A 77 -6.363 -6.937 -12.547 1.00 0.00 C ATOM 1265 CG GLU A 77 -7.452 -7.587 -13.385 1.00 0.00 C ATOM 1266 CD GLU A 77 -8.085 -8.768 -12.697 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -7.674 -9.908 -12.980 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -9.002 -8.569 -11.868 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.760 -5.471 -11.392 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.995 -6.300 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.662 -7.706 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.813 -6.515 -11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.221 -6.848 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.029 -7.909 -14.337 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.082 -3.947 -13.086 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.981 -2.913 -13.559 1.00 0.00 C ATOM 1277 C ALA A 78 -7.263 -1.993 -14.543 1.00 0.00 C ATOM 1278 O ALA A 78 -7.852 -1.534 -15.508 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.551 -2.128 -12.391 1.00 0.00 C ATOM 0 H ALA A 78 -6.904 -3.923 -12.082 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.812 -3.385 -14.083 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.224 -1.356 -12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.101 -2.801 -11.734 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.738 -1.662 -11.834 1.00 0.00 H new ATOM 1285 N ILE A 79 -5.979 -1.740 -14.290 1.00 0.00 N ATOM 1286 CA ILE A 79 -5.158 -0.934 -15.196 1.00 0.00 C ATOM 1287 C ILE A 79 -4.984 -1.664 -16.527 1.00 0.00 C ATOM 1288 O ILE A 79 -5.167 -1.089 -17.602 1.00 0.00 O ATOM 1289 CB ILE A 79 -3.747 -0.658 -14.593 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -3.844 0.199 -13.324 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -2.830 0.006 -15.619 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -4.388 1.590 -13.562 1.00 0.00 C ATOM 0 H ILE A 79 -5.484 -2.081 -13.466 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.670 0.017 -15.346 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.313 -1.620 -14.320 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.481 -0.311 -12.601 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.854 0.279 -12.875 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.853 0.187 -15.171 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.717 -0.648 -16.483 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.265 0.954 -15.936 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.426 2.133 -12.617 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.739 2.120 -14.259 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.392 1.521 -13.981 1.00 0.00 H new ATOM 1304 N ASP A 80 -4.658 -2.947 -16.431 1.00 0.00 N ATOM 1305 CA ASP A 80 -4.431 -3.794 -17.599 1.00 0.00 C ATOM 1306 C ASP A 80 -5.697 -3.928 -18.444 1.00 0.00 C ATOM 1307 O ASP A 80 -5.636 -3.959 -19.671 1.00 0.00 O ATOM 1308 CB ASP A 80 -3.939 -5.176 -17.151 1.00 0.00 C ATOM 1309 CG ASP A 80 -3.717 -6.133 -18.304 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -2.775 -5.911 -19.101 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -4.467 -7.126 -18.409 1.00 0.00 O1- ATOM 0 H ASP A 80 -4.543 -3.432 -15.541 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.668 -3.324 -18.219 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.007 -5.061 -16.598 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.666 -5.608 -16.463 1.00 0.00 H new ATOM 1316 N LYS A 81 -6.842 -3.994 -17.782 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.121 -4.115 -18.475 1.00 0.00 C ATOM 1318 C LYS A 81 -8.681 -2.747 -18.845 1.00 0.00 C ATOM 1319 O LYS A 81 -9.602 -2.644 -19.649 1.00 0.00 O ATOM 1320 CB LYS A 81 -9.138 -4.893 -17.622 1.00 0.00 C ATOM 1321 CG LYS A 81 -9.014 -6.414 -17.722 1.00 0.00 C ATOM 1322 CD LYS A 81 -7.652 -6.908 -17.275 1.00 0.00 C ATOM 1323 CE LYS A 81 -7.499 -8.396 -17.498 1.00 0.00 C ATOM 1324 NZ LYS A 81 -6.133 -8.866 -17.162 1.00 0.00 N ATOM 0 H LYS A 81 -6.915 -3.966 -16.765 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.943 -4.671 -19.395 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.020 -4.599 -16.579 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.144 -4.602 -17.923 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.786 -6.881 -17.111 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.191 -6.724 -18.752 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.874 -6.376 -17.822 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.511 -6.681 -16.218 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.228 -8.932 -16.889 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.719 -8.632 -18.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.891 -9.684 -17.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.451 -8.100 -17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.098 -9.144 -16.160 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.113 -1.705 -18.266 1.00 0.00 N ATOM 1339 CA GLY A 82 -8.568 -0.357 -18.543 1.00 0.00 C ATOM 1340 C GLY A 82 -9.893 -0.050 -17.886 1.00 0.00 C ATOM 1341 O GLY A 82 -10.681 0.742 -18.398 1.00 0.00 O ATOM 0 H GLY A 82 -7.339 -1.766 -17.604 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.819 0.355 -18.195 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.660 -0.222 -19.621 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.142 -0.670 -16.749 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.384 -0.459 -16.036 1.00 0.00 C ATOM 1347 C ASP A 83 -11.243 0.721 -15.094 1.00 0.00 C ATOM 1348 O ASP A 83 -10.870 0.568 -13.928 1.00 0.00 O ATOM 1349 CB ASP A 83 -11.802 -1.714 -15.263 1.00 0.00 C ATOM 1350 CG ASP A 83 -13.219 -1.619 -14.723 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -14.133 -2.202 -15.338 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -13.424 -0.971 -13.686 1.00 0.00 O1- ATOM 0 H ASP A 83 -9.500 -1.324 -16.300 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.165 -0.244 -16.765 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.723 -2.583 -15.917 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.111 -1.874 -14.435 1.00 0.00 H new ATOM 1357 N LYS A 84 -11.515 1.902 -15.617 1.00 0.00 N ATOM 1358 CA LYS A 84 -11.403 3.136 -14.857 1.00 0.00 C ATOM 1359 C LYS A 84 -12.438 3.183 -13.746 1.00 0.00 C ATOM 1360 O LYS A 84 -12.229 3.822 -12.715 1.00 0.00 O ATOM 1361 CB LYS A 84 -11.543 4.345 -15.791 1.00 0.00 C ATOM 1362 CG LYS A 84 -11.481 5.696 -15.091 1.00 0.00 C ATOM 1363 CD LYS A 84 -11.503 6.833 -16.098 1.00 0.00 C ATOM 1364 CE LYS A 84 -11.652 8.187 -15.422 1.00 0.00 C ATOM 1365 NZ LYS A 84 -10.530 8.489 -14.497 1.00 0.00 N ATOM 0 H LYS A 84 -11.820 2.034 -16.581 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.417 3.171 -14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.753 4.302 -16.541 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.491 4.269 -16.323 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.324 5.794 -14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.574 5.756 -14.489 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.583 6.818 -16.682 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.326 6.683 -16.796 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.710 8.965 -16.183 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.591 8.212 -14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.598 9.477 -14.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.580 7.857 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.626 8.344 -14.990 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.534 2.476 -13.950 1.00 0.00 N ATOM 1380 CA ASP A 85 -14.622 2.436 -12.983 1.00 0.00 C ATOM 1381 C ASP A 85 -14.130 1.908 -11.636 1.00 0.00 C ATOM 1382 O ASP A 85 -14.390 2.506 -10.591 1.00 0.00 O ATOM 1383 CB ASP A 85 -15.750 1.554 -13.507 1.00 0.00 C ATOM 1384 CG ASP A 85 -16.963 1.557 -12.610 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -17.168 0.570 -11.875 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -17.727 2.543 -12.642 1.00 0.00 O1- ATOM 0 H ASP A 85 -13.698 1.915 -14.786 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.995 3.450 -12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.039 1.895 -14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.386 0.532 -13.614 1.00 0.00 H new ATOM 1391 N SER A 86 -13.418 0.796 -11.668 1.00 0.00 N ATOM 1392 CA SER A 86 -12.857 0.220 -10.463 1.00 0.00 C ATOM 1393 C SER A 86 -11.699 1.070 -9.947 1.00 0.00 C ATOM 1394 O SER A 86 -11.508 1.200 -8.743 1.00 0.00 O ATOM 1395 CB SER A 86 -12.394 -1.213 -10.724 1.00 0.00 C ATOM 1396 OG SER A 86 -13.437 -1.978 -11.314 1.00 0.00 O ATOM 0 H SER A 86 -13.215 0.273 -12.520 1.00 0.00 H new ATOM 0 HA SER A 86 -13.633 0.201 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.525 -1.206 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.081 -1.676 -9.788 1.00 0.00 H new ATOM 0 HG SER A 86 -13.634 -1.628 -12.208 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.941 1.662 -10.870 1.00 0.00 N ATOM 1403 CA LEU A 87 -9.780 2.482 -10.515 1.00 0.00 C ATOM 1404 C LEU A 87 -10.175 3.660 -9.634 1.00 0.00 C ATOM 1405 O LEU A 87 -9.520 3.934 -8.630 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.060 2.976 -11.773 1.00 0.00 C ATOM 1407 CG LEU A 87 -8.452 1.881 -12.650 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -7.814 2.472 -13.892 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -7.433 1.079 -11.862 1.00 0.00 C ATOM 0 H LEU A 87 -11.110 1.589 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.097 1.852 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.766 3.550 -12.374 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.267 3.660 -11.473 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.254 1.214 -12.966 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.389 1.672 -14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.569 3.004 -14.471 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.025 3.165 -13.601 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.009 0.303 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.638 1.740 -11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.919 0.617 -11.003 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.255 4.339 -10.006 1.00 0.00 N ATOM 1422 CA GLU A 88 -11.757 5.474 -9.229 1.00 0.00 C ATOM 1423 C GLU A 88 -12.058 5.055 -7.789 1.00 0.00 C ATOM 1424 O GLU A 88 -11.709 5.758 -6.836 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.031 6.032 -9.868 1.00 0.00 C ATOM 1426 CG GLU A 88 -12.838 6.568 -11.272 1.00 0.00 C ATOM 1427 CD GLU A 88 -11.807 7.664 -11.330 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -11.979 8.685 -10.630 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -10.824 7.523 -12.084 1.00 0.00 O1- ATOM 0 H GLU A 88 -11.802 4.126 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.985 6.244 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.786 5.246 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.421 6.830 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.536 5.754 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.789 6.947 -11.648 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.695 3.910 -7.647 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.057 3.381 -6.351 1.00 0.00 C ATOM 1438 C GLN A 89 -11.815 2.931 -5.571 1.00 0.00 C ATOM 1439 O GLN A 89 -11.642 3.280 -4.399 1.00 0.00 O ATOM 1440 CB GLN A 89 -14.016 2.209 -6.545 1.00 0.00 C ATOM 1441 CG GLN A 89 -14.430 1.513 -5.271 1.00 0.00 C ATOM 1442 CD GLN A 89 -15.172 2.421 -4.311 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -15.861 3.359 -4.721 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -15.037 2.147 -3.034 1.00 0.00 N ATOM 0 H GLN A 89 -12.976 3.320 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.544 4.165 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.911 2.570 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.547 1.479 -7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.063 0.661 -5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.543 1.117 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.457 1.361 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.512 2.720 -2.336 1.00 0.00 H new ATOM 1453 N LEU A 90 -10.945 2.184 -6.241 1.00 0.00 N ATOM 1454 CA LEU A 90 -9.744 1.642 -5.612 1.00 0.00 C ATOM 1455 C LEU A 90 -8.809 2.741 -5.119 1.00 0.00 C ATOM 1456 O LEU A 90 -8.202 2.605 -4.063 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.007 0.704 -6.571 1.00 0.00 C ATOM 1458 CG LEU A 90 -9.768 -0.564 -6.978 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -8.958 -1.379 -7.970 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.112 -1.402 -5.754 1.00 0.00 C ATOM 0 H LEU A 90 -11.049 1.938 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.067 1.073 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.757 1.261 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.066 0.408 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.698 -0.262 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.515 -2.274 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.766 -0.781 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.010 -1.667 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.651 -2.297 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.194 -1.691 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.737 -0.819 -5.078 1.00 0.00 H new ATOM 1472 N LEU A 91 -8.712 3.835 -5.864 1.00 0.00 N ATOM 1473 CA LEU A 91 -7.841 4.944 -5.472 1.00 0.00 C ATOM 1474 C LEU A 91 -8.235 5.490 -4.104 1.00 0.00 C ATOM 1475 O LEU A 91 -7.376 5.768 -3.266 1.00 0.00 O ATOM 1476 CB LEU A 91 -7.879 6.066 -6.516 1.00 0.00 C ATOM 1477 CG LEU A 91 -7.198 5.759 -7.854 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -7.462 6.874 -8.852 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -5.700 5.566 -7.660 1.00 0.00 C ATOM 0 H LEU A 91 -9.220 3.981 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.823 4.559 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.921 6.320 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.410 6.951 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.617 4.833 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.971 6.640 -9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.536 6.970 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.069 7.813 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.234 5.349 -8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.267 6.476 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.526 4.735 -6.976 1.00 0.00 H new ATOM 1491 N GLU A 92 -9.534 5.624 -3.880 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.039 6.130 -2.614 1.00 0.00 C ATOM 1493 C GLU A 92 -9.824 5.109 -1.494 1.00 0.00 C ATOM 1494 O GLU A 92 -9.361 5.454 -0.407 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.525 6.469 -2.736 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.133 7.053 -1.473 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.618 7.270 -1.601 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.032 8.381 -1.988 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -14.387 6.326 -1.334 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.257 5.389 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.486 7.036 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.659 7.178 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.072 5.566 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.937 6.384 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.648 8.002 -1.244 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.136 3.846 -1.779 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.009 2.783 -0.785 1.00 0.00 C ATOM 1508 C GLU A 93 -8.561 2.570 -0.366 1.00 0.00 C ATOM 1509 O GLU A 93 -8.266 2.439 0.820 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.604 1.474 -1.301 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.112 1.511 -1.465 1.00 0.00 C ATOM 1512 CD GLU A 93 -12.708 0.135 -1.643 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -13.132 -0.197 -2.764 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -12.762 -0.626 -0.649 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.478 3.535 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.570 3.101 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.149 1.232 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.342 0.670 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.558 1.986 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.365 2.128 -2.327 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.664 2.548 -1.335 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.250 2.348 -1.057 1.00 0.00 C ATOM 1523 C LEU A 94 -5.689 3.491 -0.219 1.00 0.00 C ATOM 1524 O LEU A 94 -4.968 3.261 0.748 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.452 2.179 -2.359 1.00 0.00 C ATOM 1526 CG LEU A 94 -5.353 0.742 -2.919 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -6.726 0.109 -3.083 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -4.614 0.741 -4.245 1.00 0.00 C ATOM 0 H LEU A 94 -7.888 2.666 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.150 1.429 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.903 2.813 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.441 2.552 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.794 0.145 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.616 -0.901 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.225 0.067 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.322 0.706 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.553 -0.278 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.150 1.365 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.608 1.136 -4.101 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.042 4.721 -0.580 1.00 0.00 N ATOM 1541 CA GLU A 95 -5.580 5.895 0.152 1.00 0.00 C ATOM 1542 C GLU A 95 -6.126 5.892 1.586 1.00 0.00 C ATOM 1543 O GLU A 95 -5.414 6.239 2.536 1.00 0.00 O ATOM 1544 CB GLU A 95 -5.985 7.176 -0.585 1.00 0.00 C ATOM 1545 CG GLU A 95 -5.511 8.459 0.084 1.00 0.00 C ATOM 1546 CD GLU A 95 -5.787 9.687 -0.756 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -6.910 9.819 -1.275 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -4.884 10.536 -0.897 1.00 0.00 O1- ATOM 0 H GLU A 95 -6.646 4.930 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.492 5.861 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.586 7.140 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.071 7.204 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.005 8.565 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.441 8.389 0.279 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.384 5.485 1.733 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.033 5.404 3.014 1.00 0.00 C ATOM 1557 C GLN A 96 -7.395 4.316 3.882 1.00 0.00 C ATOM 1558 O GLN A 96 -7.166 4.509 5.079 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.508 5.106 2.780 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.303 4.808 4.019 1.00 0.00 C ATOM 1561 CD GLN A 96 -10.465 6.004 4.945 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -9.598 6.872 5.029 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -11.580 6.056 5.641 1.00 0.00 N ATOM 0 H GLN A 96 -7.976 5.202 0.952 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.921 6.349 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.959 5.960 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.588 4.256 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.290 4.448 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.817 4.000 4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.276 5.317 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.748 6.835 6.277 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.100 3.181 3.265 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.485 2.060 3.959 1.00 0.00 C ATOM 1574 C ALA A 97 -5.114 2.435 4.505 1.00 0.00 C ATOM 1575 O ALA A 97 -4.737 2.013 5.596 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.380 0.858 3.036 1.00 0.00 C ATOM 0 H ALA A 97 -7.279 3.012 2.275 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.121 1.797 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.918 0.028 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.376 0.566 2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.770 1.116 2.170 1.00 0.00 H new ATOM 1582 N LEU A 98 -4.381 3.245 3.748 1.00 0.00 N ATOM 1583 CA LEU A 98 -3.042 3.675 4.144 1.00 0.00 C ATOM 1584 C LEU A 98 -3.085 4.475 5.436 1.00 0.00 C ATOM 1585 O LEU A 98 -2.175 4.385 6.265 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.412 4.520 3.045 1.00 0.00 C ATOM 1587 CG LEU A 98 -2.185 3.815 1.714 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -1.673 4.794 0.683 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.214 2.657 1.880 1.00 0.00 C ATOM 0 H LEU A 98 -4.693 3.619 2.852 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.439 2.782 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.048 5.388 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.453 4.894 3.405 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.138 3.414 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.515 4.277 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.404 5.591 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.730 5.222 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.065 2.166 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.259 3.033 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.621 1.941 2.594 1.00 0.00 H new ATOM 1601 N GLN A 99 -4.148 5.251 5.606 1.00 0.00 N ATOM 1602 CA GLN A 99 -4.326 6.050 6.810 1.00 0.00 C ATOM 1603 C GLN A 99 -4.449 5.124 8.009 1.00 0.00 C ATOM 1604 O GLN A 99 -3.819 5.332 9.046 1.00 0.00 O ATOM 1605 CB GLN A 99 -5.587 6.918 6.694 1.00 0.00 C ATOM 1606 CG GLN A 99 -5.711 7.664 5.372 1.00 0.00 C ATOM 1607 CD GLN A 99 -4.542 8.587 5.094 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -3.941 9.151 6.008 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -4.204 8.738 3.829 1.00 0.00 N ATOM 0 H GLN A 99 -4.901 5.344 4.924 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.464 6.705 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.464 6.284 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.593 7.642 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.795 6.941 4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.632 8.247 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.727 8.253 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.419 9.340 3.579 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.241 4.075 7.829 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.472 3.083 8.865 1.00 0.00 C ATOM 1620 C LYS A 100 -4.188 2.332 9.195 1.00 0.00 C ATOM 1621 O LYS A 100 -3.902 2.070 10.355 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.540 2.089 8.412 1.00 0.00 C ATOM 1623 CG LYS A 100 -7.876 2.726 8.083 1.00 0.00 C ATOM 1624 CD LYS A 100 -8.873 1.694 7.589 1.00 0.00 C ATOM 1625 CE LYS A 100 -10.229 2.319 7.320 1.00 0.00 C ATOM 1626 NZ LYS A 100 -10.801 2.945 8.537 1.00 0.00 N ATOM 0 H LYS A 100 -5.741 3.890 6.959 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.814 3.603 9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.177 1.557 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.687 1.346 9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.272 3.223 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.737 3.494 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.497 1.230 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.976 0.902 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.133 3.070 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.913 1.556 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.817 3.116 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.668 2.310 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.320 3.848 8.721 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.413 2.005 8.164 1.00 0.00 N ATOM 1641 CA ILE A 101 -2.170 1.259 8.343 1.00 0.00 C ATOM 1642 C ILE A 101 -1.192 2.016 9.242 1.00 0.00 C ATOM 1643 O ILE A 101 -0.584 1.429 10.137 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.491 0.937 6.981 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.398 0.031 6.139 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -0.128 0.279 7.195 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.841 -0.296 4.766 1.00 0.00 C ATOM 0 H ILE A 101 -3.624 2.245 7.195 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.435 0.318 8.826 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.334 1.873 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.569 -0.899 6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.368 0.514 6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.328 0.063 6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.517 0.953 7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.256 -0.650 7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.541 -0.940 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.696 0.626 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.885 -0.809 4.874 1.00 0.00 H new ATOM 1659 N ARG A 102 -1.067 3.321 9.019 1.00 0.00 N ATOM 1660 CA ARG A 102 -0.164 4.142 9.823 1.00 0.00 C ATOM 1661 C ARG A 102 -0.597 4.142 11.289 1.00 0.00 C ATOM 1662 O ARG A 102 0.234 4.082 12.193 1.00 0.00 O ATOM 1663 CB ARG A 102 -0.107 5.581 9.299 1.00 0.00 C ATOM 1664 CG ARG A 102 0.336 5.701 7.850 1.00 0.00 C ATOM 1665 CD ARG A 102 0.608 7.151 7.467 1.00 0.00 C ATOM 1666 NE ARG A 102 -0.541 8.029 7.727 1.00 0.00 N ATOM 1667 CZ ARG A 102 -0.541 9.352 7.505 1.00 0.00 C ATOM 1668 NH1 ARG A 102 0.549 9.951 7.027 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -1.626 10.074 7.765 1.00 0.00 N ATOM 0 H ARG A 102 -1.574 3.830 8.295 1.00 0.00 H new ATOM 0 HA ARG A 102 0.832 3.707 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.093 6.033 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.576 6.156 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.237 5.107 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.434 5.290 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.472 7.514 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.867 7.201 6.409 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.391 7.606 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.386 9.403 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.546 10.957 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.463 9.622 8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.622 11.080 7.595 1.00 0.00 H new ATOM 1683 N GLU A 103 -1.902 4.194 11.509 1.00 0.00 N ATOM 1684 CA GLU A 103 -2.456 4.202 12.853 1.00 0.00 C ATOM 1685 C GLU A 103 -2.328 2.834 13.522 1.00 0.00 C ATOM 1686 O GLU A 103 -1.971 2.741 14.699 1.00 0.00 O ATOM 1687 CB GLU A 103 -3.915 4.639 12.823 1.00 0.00 C ATOM 1688 CG GLU A 103 -4.105 6.075 12.379 1.00 0.00 C ATOM 1689 CD GLU A 103 -5.549 6.494 12.376 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -6.114 6.685 11.280 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.130 6.639 13.472 1.00 0.00 O1- ATOM 0 H GLU A 103 -2.601 4.232 10.767 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.882 4.917 13.443 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.469 3.983 12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.344 4.514 13.817 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.541 6.733 13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.693 6.199 11.378 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.614 1.781 12.767 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.541 0.413 13.283 1.00 0.00 C ATOM 1700 C LEU A 104 -1.114 0.043 13.672 1.00 0.00 C ATOM 1701 O LEU A 104 -0.900 -0.771 14.570 1.00 0.00 O ATOM 1702 CB LEU A 104 -3.084 -0.586 12.253 1.00 0.00 C ATOM 1703 CG LEU A 104 -4.575 -0.460 11.919 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -4.973 -1.477 10.861 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -5.426 -0.631 13.171 1.00 0.00 C ATOM 0 H LEU A 104 -2.900 1.845 11.790 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.161 0.366 14.178 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.514 -0.473 11.331 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.898 -1.595 12.621 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.751 0.539 11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.035 -1.372 10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.392 -1.305 9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.778 -2.483 11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.480 -0.538 12.910 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.245 -1.615 13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.163 0.138 13.898 1.00 0.00 H new ATOM 1717 N ALA A 105 -0.148 0.648 12.996 1.00 0.00 N ATOM 1718 CA ALA A 105 1.265 0.391 13.258 1.00 0.00 C ATOM 1719 C ALA A 105 1.695 0.916 14.631 1.00 0.00 C ATOM 1720 O ALA A 105 2.758 0.562 15.137 1.00 0.00 O ATOM 1721 CB ALA A 105 2.120 1.010 12.164 1.00 0.00 C ATOM 0 H ALA A 105 -0.318 1.327 12.254 1.00 0.00 H new ATOM 0 HA ALA A 105 1.410 -0.689 13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.172 0.813 12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.850 0.575 11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.952 2.087 12.136 1.00 0.00 H new ATOM 1727 N GLU A 106 0.866 1.765 15.225 1.00 0.00 N ATOM 1728 CA GLU A 106 1.160 2.327 16.537 1.00 0.00 C ATOM 1729 C GLU A 106 0.557 1.463 17.643 1.00 0.00 C ATOM 1730 O GLU A 106 0.726 1.743 18.835 1.00 0.00 O ATOM 1731 CB GLU A 106 0.629 3.758 16.640 1.00 0.00 C ATOM 1732 CG GLU A 106 1.127 4.673 15.534 1.00 0.00 C ATOM 1733 CD GLU A 106 0.673 6.103 15.709 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -0.553 6.360 15.646 1.00 0.00 O ATOM 1735 OE2 GLU A 106 1.540 6.985 15.891 1.00 0.00 O1- ATOM 0 H GLU A 106 -0.015 2.080 14.819 1.00 0.00 H new ATOM 0 HA GLU A 106 2.243 2.345 16.662 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.461 3.735 16.618 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.919 4.176 17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.216 4.643 15.507 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.774 4.299 14.573 1.00 0.00 H new ATOM 1742 N LYS A 107 -0.151 0.422 17.246 1.00 0.00 N ATOM 1743 CA LYS A 107 -0.786 -0.473 18.193 1.00 0.00 C ATOM 1744 C LYS A 107 0.104 -1.675 18.467 1.00 0.00 C ATOM 1745 O LYS A 107 0.370 -2.483 17.574 1.00 0.00 O ATOM 1746 CB LYS A 107 -2.147 -0.934 17.661 1.00 0.00 C ATOM 1747 CG LYS A 107 -2.918 -1.838 18.616 1.00 0.00 C ATOM 1748 CD LYS A 107 -4.237 -2.282 18.005 1.00 0.00 C ATOM 1749 CE LYS A 107 -5.054 -3.126 18.974 1.00 0.00 C ATOM 1750 NZ LYS A 107 -4.364 -4.387 19.346 1.00 0.00 N ATOM 0 H LYS A 107 -0.301 0.175 16.268 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.940 0.067 19.127 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.754 -0.056 17.440 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.996 -1.463 16.720 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.315 -2.712 18.861 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.106 -1.309 19.550 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.814 -1.406 17.711 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.043 -2.855 17.098 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.257 -2.547 19.875 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.018 -3.362 18.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.071 -5.117 19.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.773 -4.707 18.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.764 -4.222 20.179 1.00 0.00 H new ATOM 1764 N LYS A 108 0.569 -1.787 19.696 1.00 0.00 N ATOM 1765 CA LYS A 108 1.405 -2.898 20.088 1.00 0.00 C ATOM 1766 C LYS A 108 0.537 -4.101 20.406 1.00 0.00 C ATOM 1767 O LYS A 108 -0.026 -4.201 21.495 1.00 0.00 O ATOM 1768 CB LYS A 108 2.271 -2.532 21.301 1.00 0.00 C ATOM 1769 CG LYS A 108 3.252 -3.627 21.712 1.00 0.00 C ATOM 1770 CD LYS A 108 4.027 -3.255 22.972 1.00 0.00 C ATOM 1771 CE LYS A 108 4.840 -1.987 22.780 1.00 0.00 C ATOM 1772 NZ LYS A 108 5.678 -1.675 23.963 1.00 0.00 N ATOM 0 H LYS A 108 0.379 -1.117 20.441 1.00 0.00 H new ATOM 0 HA LYS A 108 2.071 -3.142 19.260 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.829 -1.623 21.076 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.620 -2.305 22.145 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.708 -4.556 21.882 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.952 -3.812 20.897 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.331 -3.119 23.800 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.691 -4.075 23.246 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.478 -2.096 21.903 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.167 -1.152 22.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.215 -0.802 23.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.069 -1.545 24.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.339 -2.459 24.137 1.00 0.00 H new ATOM 1786 N ASN A 109 0.398 -4.983 19.440 1.00 0.00 N ATOM 1787 CA ASN A 109 -0.402 -6.182 19.610 1.00 0.00 C ATOM 1788 C ASN A 109 0.374 -7.209 20.410 1.00 0.00 C ATOM 1789 O ASN A 109 0.175 -7.294 21.637 1.00 0.00 O ATOM 1790 CB ASN A 109 -0.805 -6.772 18.247 1.00 0.00 C ATOM 1791 CG ASN A 109 -1.651 -5.825 17.413 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -2.878 -5.798 17.528 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -1.010 -5.055 16.555 1.00 0.00 N ATOM 1794 OXT ASN A 109 1.213 -7.909 19.814 1.00 0.00 O ATOM 0 H ASN A 109 0.831 -4.893 18.521 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.311 -5.915 20.149 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.095 -7.031 17.690 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.358 -7.697 18.408 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.531 -4.411 15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.007 -5.104 16.487 1.00 0.00 H new TER 1801 ASN A 109