USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 150:sc= -2.35! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.21! C(o=-7.6!,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0311 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 22 MET CE :methyl -167:sc= 0 (180deg=-0.309) USER MOD Single : A 24 SER OG : rot 180:sc=-0.00303 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.51 K(o=-0.51,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= 0.0145 (180deg=-1.29!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -2 F(o=-3.3,f=-2) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.74 F(o=-2.1,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00259) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -131:sc= 0.391 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 63 SER OG : rot -19:sc= 0.184 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -104:sc= -1.23 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -29:sc= 0.706 USER MOD Single : A 73 GLN : amide:sc= -2.49! C(o=-2.5!,f=-12!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0359 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.771 -2.162 15.896 1.00 0.00 N ATOM 2 CA GLY A 1 -14.041 -1.565 16.265 1.00 0.00 C ATOM 3 C GLY A 1 -15.226 -2.362 15.757 1.00 0.00 C ATOM 4 O GLY A 1 -15.150 -3.583 15.623 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.153 -2.208 16.731 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.932 -3.123 15.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.316 -1.584 15.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.099 -1.485 17.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.092 -0.551 15.867 1.00 0.00 H new ATOM 8 N SER A 2 -16.326 -1.670 15.476 1.00 0.00 N ATOM 9 CA SER A 2 -17.535 -2.322 14.986 1.00 0.00 C ATOM 10 C SER A 2 -18.218 -1.470 13.921 1.00 0.00 C ATOM 11 O SER A 2 -18.693 -0.370 14.201 1.00 0.00 O ATOM 12 CB SER A 2 -18.502 -2.587 16.141 1.00 0.00 C ATOM 13 OG SER A 2 -18.006 -3.599 16.999 1.00 0.00 O ATOM 0 H SER A 2 -16.405 -0.658 15.579 1.00 0.00 H new ATOM 0 HA SER A 2 -17.248 -3.273 14.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.657 -1.669 16.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.473 -2.885 15.745 1.00 0.00 H new ATOM 0 HG SER A 2 -18.641 -3.749 17.730 1.00 0.00 H new ATOM 19 N SER A 3 -18.262 -1.986 12.697 1.00 0.00 N ATOM 20 CA SER A 3 -18.883 -1.272 11.587 1.00 0.00 C ATOM 21 C SER A 3 -19.837 -2.183 10.821 1.00 0.00 C ATOM 22 O SER A 3 -19.628 -3.392 10.740 1.00 0.00 O ATOM 23 CB SER A 3 -17.811 -0.725 10.642 1.00 0.00 C ATOM 24 OG SER A 3 -18.398 -0.103 9.512 1.00 0.00 O ATOM 0 H SER A 3 -17.875 -2.896 12.449 1.00 0.00 H new ATOM 0 HA SER A 3 -19.455 -0.439 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.186 -0.007 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.159 -1.536 10.317 1.00 0.00 H new ATOM 0 HG SER A 3 -17.693 0.240 8.924 1.00 0.00 H new ATOM 30 N GLY A 4 -20.887 -1.591 10.259 1.00 0.00 N ATOM 31 CA GLY A 4 -21.859 -2.362 9.507 1.00 0.00 C ATOM 32 C GLY A 4 -21.418 -2.615 8.079 1.00 0.00 C ATOM 33 O GLY A 4 -20.541 -1.923 7.561 1.00 0.00 O ATOM 0 H GLY A 4 -21.081 -0.591 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.027 -3.316 10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.812 -1.833 9.501 1.00 0.00 H new ATOM 37 N SER A 5 -22.026 -3.609 7.440 1.00 0.00 N ATOM 38 CA SER A 5 -21.688 -3.955 6.065 1.00 0.00 C ATOM 39 C SER A 5 -22.785 -4.807 5.433 1.00 0.00 C ATOM 40 O SER A 5 -23.356 -5.683 6.081 1.00 0.00 O ATOM 41 CB SER A 5 -20.354 -4.704 6.018 1.00 0.00 C ATOM 42 OG SER A 5 -20.446 -5.950 6.687 1.00 0.00 O ATOM 0 H SER A 5 -22.756 -4.189 7.853 1.00 0.00 H new ATOM 0 HA SER A 5 -21.598 -3.030 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.060 -4.865 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.575 -4.096 6.479 1.00 0.00 H new ATOM 0 HG SER A 5 -19.582 -6.410 6.642 1.00 0.00 H new ATOM 48 N SER A 6 -23.073 -4.542 4.163 1.00 0.00 N ATOM 49 CA SER A 6 -24.104 -5.281 3.443 1.00 0.00 C ATOM 50 C SER A 6 -23.495 -6.440 2.661 1.00 0.00 C ATOM 51 O SER A 6 -23.121 -6.292 1.498 1.00 0.00 O ATOM 52 CB SER A 6 -24.858 -4.349 2.492 1.00 0.00 C ATOM 53 OG SER A 6 -26.179 -4.810 2.267 1.00 0.00 O ATOM 0 H SER A 6 -22.607 -3.821 3.611 1.00 0.00 H new ATOM 0 HA SER A 6 -24.804 -5.687 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.887 -3.343 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.326 -4.284 1.543 1.00 0.00 H new ATOM 0 HG SER A 6 -26.640 -4.197 1.658 1.00 0.00 H new ATOM 59 N GLY A 7 -23.399 -7.597 3.309 1.00 0.00 N ATOM 60 CA GLY A 7 -22.835 -8.767 2.660 1.00 0.00 C ATOM 61 C GLY A 7 -21.379 -8.984 3.021 1.00 0.00 C ATOM 62 O GLY A 7 -20.556 -8.081 2.880 1.00 0.00 O ATOM 0 H GLY A 7 -23.702 -7.745 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.411 -9.648 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.926 -8.659 1.579 1.00 0.00 H new ATOM 66 N ASN A 8 -21.060 -10.186 3.490 1.00 0.00 N ATOM 67 CA ASN A 8 -19.693 -10.519 3.875 1.00 0.00 C ATOM 68 C ASN A 8 -19.122 -11.605 2.968 1.00 0.00 C ATOM 69 O ASN A 8 -19.550 -12.759 3.017 1.00 0.00 O ATOM 70 CB ASN A 8 -19.650 -10.981 5.333 1.00 0.00 C ATOM 71 CG ASN A 8 -18.233 -11.200 5.828 1.00 0.00 C ATOM 72 OD1 ASN A 8 -17.336 -10.405 5.546 1.00 0.00 O ATOM 73 ND2 ASN A 8 -18.026 -12.281 6.570 1.00 0.00 N ATOM 0 H ASN A 8 -21.729 -10.946 3.613 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.083 -9.622 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.141 -10.238 5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.215 -11.908 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.093 -12.480 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.800 -12.912 6.779 1.00 0.00 H new ATOM 80 N LEU A 9 -18.153 -11.228 2.141 1.00 0.00 N ATOM 81 CA LEU A 9 -17.521 -12.170 1.223 1.00 0.00 C ATOM 82 C LEU A 9 -16.250 -11.577 0.624 1.00 0.00 C ATOM 83 O LEU A 9 -16.028 -10.367 0.686 1.00 0.00 O ATOM 84 CB LEU A 9 -18.494 -12.553 0.106 1.00 0.00 C ATOM 85 CG LEU A 9 -18.893 -11.431 -0.852 1.00 0.00 C ATOM 86 CD1 LEU A 9 -17.833 -11.244 -1.927 1.00 0.00 C ATOM 87 CD2 LEU A 9 -20.247 -11.722 -1.481 1.00 0.00 C ATOM 0 H LEU A 9 -17.788 -10.277 2.087 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.252 -13.064 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.048 -13.359 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -19.400 -12.953 0.562 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.971 -10.505 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.135 -10.441 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.882 -10.988 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.722 -12.169 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -20.514 -10.912 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -20.197 -12.659 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -21.002 -11.804 -0.699 1.00 0.00 H new ATOM 99 N ASP A 10 -15.420 -12.435 0.043 1.00 0.00 N ATOM 100 CA ASP A 10 -14.172 -11.996 -0.570 1.00 0.00 C ATOM 101 C ASP A 10 -13.961 -12.677 -1.919 1.00 0.00 C ATOM 102 O ASP A 10 -13.665 -13.869 -1.984 1.00 0.00 O ATOM 103 CB ASP A 10 -12.991 -12.294 0.356 1.00 0.00 C ATOM 104 CG ASP A 10 -13.114 -13.644 1.034 1.00 0.00 C ATOM 105 OD1 ASP A 10 -13.456 -14.626 0.343 1.00 0.00 O ATOM 106 OD2 ASP A 10 -12.868 -13.719 2.257 1.00 0.00 O ATOM 0 H ASP A 10 -15.589 -13.439 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.234 -10.920 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.065 -12.262 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.922 -11.514 1.115 1.00 0.00 H new ATOM 111 N ALA A 11 -14.116 -11.910 -2.994 1.00 0.00 N ATOM 112 CA ALA A 11 -13.941 -12.438 -4.341 1.00 0.00 C ATOM 113 C ALA A 11 -12.919 -11.620 -5.123 1.00 0.00 C ATOM 114 O ALA A 11 -12.049 -12.175 -5.796 1.00 0.00 O ATOM 115 CB ALA A 11 -15.273 -12.463 -5.075 1.00 0.00 C ATOM 0 H ALA A 11 -14.362 -10.921 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.565 -13.458 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.127 -12.860 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.975 -13.096 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.672 -11.451 -5.139 1.00 0.00 H new ATOM 121 N LEU A 12 -13.030 -10.300 -5.031 1.00 0.00 N ATOM 122 CA LEU A 12 -12.115 -9.405 -5.731 1.00 0.00 C ATOM 123 C LEU A 12 -10.701 -9.975 -5.748 1.00 0.00 C ATOM 124 O LEU A 12 -10.277 -10.639 -4.801 1.00 0.00 O ATOM 125 CB LEU A 12 -12.113 -8.026 -5.069 1.00 0.00 C ATOM 126 CG LEU A 12 -13.167 -7.038 -5.571 1.00 0.00 C ATOM 127 CD1 LEU A 12 -12.838 -6.578 -6.983 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.552 -7.666 -5.522 1.00 0.00 C ATOM 0 H LEU A 12 -13.744 -9.825 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.459 -9.307 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.252 -8.160 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.129 -7.579 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.161 -6.166 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.599 -5.876 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.864 -6.089 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.815 -7.440 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.290 -6.949 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.571 -8.555 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.789 -7.945 -4.495 1.00 0.00 H new ATOM 140 N ARG A 13 -9.974 -9.711 -6.829 1.00 0.00 N ATOM 141 CA ARG A 13 -8.607 -10.198 -6.969 1.00 0.00 C ATOM 142 C ARG A 13 -7.603 -9.105 -6.616 1.00 0.00 C ATOM 143 O ARG A 13 -6.610 -9.359 -5.934 1.00 0.00 O ATOM 144 CB ARG A 13 -8.362 -10.690 -8.396 1.00 0.00 C ATOM 145 CG ARG A 13 -8.603 -9.628 -9.457 1.00 0.00 C ATOM 146 CD ARG A 13 -8.265 -10.142 -10.847 1.00 0.00 C ATOM 147 NE ARG A 13 -9.382 -10.864 -11.450 1.00 0.00 N ATOM 148 CZ ARG A 13 -9.524 -11.037 -12.760 1.00 0.00 C ATOM 149 NH1 ARG A 13 -8.624 -10.543 -13.598 1.00 0.00 N ATOM 150 NH2 ARG A 13 -10.569 -11.706 -13.232 1.00 0.00 N ATOM 0 H ARG A 13 -10.309 -9.162 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.471 -11.030 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.335 -11.046 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.011 -11.543 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.646 -9.314 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.999 -8.748 -9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.988 -9.304 -11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.397 -10.799 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.092 -11.257 -10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.820 -10.029 -13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.735 -10.677 -14.603 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.263 -12.087 -12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.678 -11.839 -14.237 1.00 0.00 H new ATOM 164 N GLU A 14 -7.868 -7.890 -7.086 1.00 0.00 N ATOM 165 CA GLU A 14 -6.986 -6.760 -6.821 1.00 0.00 C ATOM 166 C GLU A 14 -6.610 -6.698 -5.343 1.00 0.00 C ATOM 167 O GLU A 14 -7.136 -7.452 -4.525 1.00 0.00 O ATOM 168 CB GLU A 14 -7.657 -5.451 -7.242 1.00 0.00 C ATOM 169 CG GLU A 14 -6.710 -4.263 -7.267 1.00 0.00 C ATOM 170 CD GLU A 14 -7.104 -3.225 -8.301 1.00 0.00 C ATOM 171 OE1 GLU A 14 -8.319 -3.052 -8.534 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.198 -2.586 -8.876 1.00 0.00 O ATOM 0 H GLU A 14 -8.686 -7.663 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.076 -6.898 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.093 -5.578 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.478 -5.237 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.689 -3.799 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.699 -4.613 -7.476 1.00 0.00 H new ATOM 179 N VAL A 15 -5.694 -5.795 -5.009 1.00 0.00 N ATOM 180 CA VAL A 15 -5.247 -5.633 -3.630 1.00 0.00 C ATOM 181 C VAL A 15 -5.908 -4.426 -2.976 1.00 0.00 C ATOM 182 O VAL A 15 -5.292 -3.727 -2.170 1.00 0.00 O ATOM 183 CB VAL A 15 -3.717 -5.472 -3.552 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.021 -6.679 -4.162 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.281 -4.189 -4.243 1.00 0.00 C ATOM 0 H VAL A 15 -5.247 -5.164 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.538 -6.537 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.429 -5.409 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.941 -6.547 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.310 -7.579 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.313 -6.777 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.197 -4.091 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.581 -4.220 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.752 -3.335 -3.756 1.00 0.00 H new ATOM 195 N LEU A 16 -7.167 -4.185 -3.326 1.00 0.00 N ATOM 196 CA LEU A 16 -7.914 -3.062 -2.772 1.00 0.00 C ATOM 197 C LEU A 16 -7.709 -2.961 -1.264 1.00 0.00 C ATOM 198 O LEU A 16 -7.877 -1.894 -0.675 1.00 0.00 O ATOM 199 CB LEU A 16 -9.404 -3.210 -3.087 1.00 0.00 C ATOM 200 CG LEU A 16 -9.763 -3.400 -4.561 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.204 -3.865 -4.703 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.538 -2.110 -5.335 1.00 0.00 C ATOM 0 H LEU A 16 -7.692 -4.753 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.540 -2.147 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.790 -4.062 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.922 -2.325 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.112 -4.168 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.442 -3.995 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.333 -4.814 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.871 -3.120 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.799 -2.264 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.164 -1.321 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.490 -1.819 -5.261 1.00 0.00 H new ATOM 214 N GLU A 17 -7.342 -4.080 -0.646 1.00 0.00 N ATOM 215 CA GLU A 17 -7.112 -4.116 0.793 1.00 0.00 C ATOM 216 C GLU A 17 -5.634 -4.341 1.102 1.00 0.00 C ATOM 217 O GLU A 17 -4.958 -5.119 0.428 1.00 0.00 O ATOM 218 CB GLU A 17 -7.953 -5.220 1.439 1.00 0.00 C ATOM 219 CG GLU A 17 -9.322 -4.750 1.901 1.00 0.00 C ATOM 220 CD GLU A 17 -10.364 -5.850 1.850 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.021 -7.007 2.172 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.522 -5.554 1.488 1.00 0.00 O ATOM 0 H GLU A 17 -7.198 -4.972 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.410 -3.153 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.079 -6.034 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.410 -5.626 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.247 -4.372 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.646 -3.918 1.276 1.00 0.00 H new ATOM 229 N CYS A 18 -5.139 -3.654 2.127 1.00 0.00 N ATOM 230 CA CYS A 18 -3.743 -3.776 2.526 1.00 0.00 C ATOM 231 C CYS A 18 -3.380 -5.233 2.796 1.00 0.00 C ATOM 232 O CYS A 18 -4.121 -5.974 3.442 1.00 0.00 O ATOM 233 CB CYS A 18 -3.472 -2.932 3.773 1.00 0.00 C ATOM 234 SG CYS A 18 -1.744 -2.990 4.349 1.00 0.00 S ATOM 0 H CYS A 18 -5.685 -3.007 2.696 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.123 -3.411 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.739 -1.896 3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.124 -3.272 4.578 1.00 0.00 H new ATOM 239 N PRO A 19 -2.211 -5.656 2.291 1.00 0.00 N ATOM 240 CA PRO A 19 -1.722 -7.026 2.465 1.00 0.00 C ATOM 241 C PRO A 19 -1.317 -7.319 3.906 1.00 0.00 C ATOM 242 O PRO A 19 -0.880 -8.424 4.225 1.00 0.00 O ATOM 243 CB PRO A 19 -0.502 -7.088 1.543 1.00 0.00 C ATOM 244 CG PRO A 19 -0.039 -5.676 1.434 1.00 0.00 C ATOM 245 CD PRO A 19 -1.277 -4.827 1.511 1.00 0.00 C ATOM 0 HA PRO A 19 -2.488 -7.765 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.276 -7.729 1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.764 -7.496 0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.654 -5.429 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.490 -5.510 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.080 -3.873 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.671 -4.601 0.520 1.00 0.00 H new ATOM 253 N ILE A 20 -1.465 -6.321 4.771 1.00 0.00 N ATOM 254 CA ILE A 20 -1.115 -6.473 6.178 1.00 0.00 C ATOM 255 C ILE A 20 -2.355 -6.400 7.064 1.00 0.00 C ATOM 256 O ILE A 20 -2.817 -7.413 7.588 1.00 0.00 O ATOM 257 CB ILE A 20 -0.112 -5.394 6.628 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.143 -5.437 5.754 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.250 -5.586 8.093 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.237 -4.503 6.222 1.00 0.00 C ATOM 0 H ILE A 20 -1.825 -5.399 4.522 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.653 -7.454 6.284 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.578 -4.415 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.529 -6.456 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.872 -5.181 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.959 -4.816 8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.650 -5.511 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.700 -6.569 8.231 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.096 -4.586 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.868 -3.477 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.536 -4.772 7.235 1.00 0.00 H new ATOM 272 N CYS A 21 -2.889 -5.194 7.225 1.00 0.00 N ATOM 273 CA CYS A 21 -4.076 -4.987 8.046 1.00 0.00 C ATOM 274 C CYS A 21 -5.330 -5.464 7.319 1.00 0.00 C ATOM 275 O CYS A 21 -6.320 -5.838 7.947 1.00 0.00 O ATOM 276 CB CYS A 21 -4.217 -3.508 8.412 1.00 0.00 C ATOM 277 SG CYS A 21 -4.149 -2.379 6.985 1.00 0.00 S ATOM 0 H CYS A 21 -2.519 -4.345 6.798 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.962 -5.571 8.959 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.164 -3.362 8.932 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.425 -3.241 9.111 1.00 0.00 H new ATOM 282 N MET A 22 -5.279 -5.448 5.991 1.00 0.00 N ATOM 283 CA MET A 22 -6.410 -5.881 5.178 1.00 0.00 C ATOM 284 C MET A 22 -7.594 -4.933 5.346 1.00 0.00 C ATOM 285 O MET A 22 -8.711 -5.366 5.626 1.00 0.00 O ATOM 286 CB MET A 22 -6.823 -7.304 5.557 1.00 0.00 C ATOM 287 CG MET A 22 -5.700 -8.320 5.420 1.00 0.00 C ATOM 288 SD MET A 22 -5.477 -8.884 3.723 1.00 0.00 S ATOM 289 CE MET A 22 -4.006 -9.893 3.892 1.00 0.00 C ATOM 0 H MET A 22 -4.467 -5.140 5.455 1.00 0.00 H new ATOM 0 HA MET A 22 -6.101 -5.867 4.133 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.181 -7.307 6.586 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.658 -7.611 4.928 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.770 -7.878 5.777 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.911 -9.177 6.059 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.608 -10.124 2.904 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.257 -9.350 4.468 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.258 -10.820 4.407 1.00 0.00 H new ATOM 299 N GLU A 23 -7.341 -3.640 5.173 1.00 0.00 N ATOM 300 CA GLU A 23 -8.387 -2.633 5.307 1.00 0.00 C ATOM 301 C GLU A 23 -8.545 -1.838 4.014 1.00 0.00 C ATOM 302 O GLU A 23 -7.560 -1.419 3.405 1.00 0.00 O ATOM 303 CB GLU A 23 -8.068 -1.685 6.465 1.00 0.00 C ATOM 304 CG GLU A 23 -8.583 -2.172 7.809 1.00 0.00 C ATOM 305 CD GLU A 23 -8.614 -1.075 8.854 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.538 -0.734 9.388 1.00 0.00 O ATOM 307 OE2 GLU A 23 -9.714 -0.557 9.139 1.00 0.00 O ATOM 0 H GLU A 23 -6.421 -3.265 4.940 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.326 -3.147 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.988 -1.550 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.500 -0.707 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.587 -2.578 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.951 -2.987 8.162 1.00 0.00 H new ATOM 314 N SER A 24 -9.792 -1.634 3.600 1.00 0.00 N ATOM 315 CA SER A 24 -10.080 -0.893 2.378 1.00 0.00 C ATOM 316 C SER A 24 -9.230 0.371 2.295 1.00 0.00 C ATOM 317 O SER A 24 -9.161 1.149 3.246 1.00 0.00 O ATOM 318 CB SER A 24 -11.565 -0.528 2.315 1.00 0.00 C ATOM 319 OG SER A 24 -11.847 0.597 3.129 1.00 0.00 O ATOM 0 H SER A 24 -10.619 -1.972 4.093 1.00 0.00 H new ATOM 0 HA SER A 24 -9.834 -1.531 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.847 -0.315 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.166 -1.377 2.641 1.00 0.00 H new ATOM 0 HG SER A 24 -12.801 0.812 3.071 1.00 0.00 H new ATOM 325 N PHE A 25 -8.584 0.568 1.151 1.00 0.00 N ATOM 326 CA PHE A 25 -7.737 1.737 0.942 1.00 0.00 C ATOM 327 C PHE A 25 -8.581 2.985 0.705 1.00 0.00 C ATOM 328 O PHE A 25 -9.092 3.204 -0.395 1.00 0.00 O ATOM 329 CB PHE A 25 -6.799 1.508 -0.245 1.00 0.00 C ATOM 330 CG PHE A 25 -5.629 0.622 0.078 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.751 0.955 1.097 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.408 -0.543 -0.638 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.674 0.142 1.394 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.333 -1.360 -0.344 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.465 -1.017 0.674 1.00 0.00 C ATOM 0 H PHE A 25 -8.631 -0.067 0.354 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.142 1.889 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.365 1.065 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.429 2.471 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.910 1.860 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.084 -0.816 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.996 0.413 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.172 -2.266 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.625 -1.654 0.906 1.00 0.00 H new ATOM 345 N THR A 26 -8.725 3.802 1.744 1.00 0.00 N ATOM 346 CA THR A 26 -9.509 5.027 1.650 1.00 0.00 C ATOM 347 C THR A 26 -8.663 6.248 1.992 1.00 0.00 C ATOM 348 O THR A 26 -7.888 6.229 2.948 1.00 0.00 O ATOM 349 CB THR A 26 -10.732 4.985 2.586 1.00 0.00 C ATOM 350 OG1 THR A 26 -11.311 6.290 2.693 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.339 4.484 3.967 1.00 0.00 C ATOM 0 H THR A 26 -8.309 3.637 2.660 1.00 0.00 H new ATOM 0 HA THR A 26 -9.853 5.104 0.619 1.00 0.00 H new ATOM 0 HB THR A 26 -11.464 4.297 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.089 6.255 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.219 4.463 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.925 3.479 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.591 5.151 4.397 1.00 0.00 H new ATOM 359 N GLU A 27 -8.818 7.309 1.206 1.00 0.00 N ATOM 360 CA GLU A 27 -8.067 8.539 1.428 1.00 0.00 C ATOM 361 C GLU A 27 -8.635 9.318 2.611 1.00 0.00 C ATOM 362 O GLU A 27 -8.876 10.521 2.516 1.00 0.00 O ATOM 363 CB GLU A 27 -8.091 9.411 0.170 1.00 0.00 C ATOM 364 CG GLU A 27 -9.489 9.823 -0.258 1.00 0.00 C ATOM 365 CD GLU A 27 -9.487 10.676 -1.512 1.00 0.00 C ATOM 366 OE1 GLU A 27 -9.469 10.101 -2.620 1.00 0.00 O ATOM 367 OE2 GLU A 27 -9.504 11.918 -1.384 1.00 0.00 O ATOM 0 H GLU A 27 -9.456 7.341 0.411 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.036 8.269 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.496 10.307 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.615 8.869 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.090 8.930 -0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.965 10.375 0.552 1.00 0.00 H new ATOM 374 N GLU A 28 -8.846 8.622 3.724 1.00 0.00 N ATOM 375 CA GLU A 28 -9.387 9.248 4.924 1.00 0.00 C ATOM 376 C GLU A 28 -8.581 8.849 6.157 1.00 0.00 C ATOM 377 O GLU A 28 -8.261 9.687 6.999 1.00 0.00 O ATOM 378 CB GLU A 28 -10.854 8.858 5.113 1.00 0.00 C ATOM 379 CG GLU A 28 -11.780 9.442 4.059 1.00 0.00 C ATOM 380 CD GLU A 28 -13.236 9.418 4.483 1.00 0.00 C ATOM 381 OE1 GLU A 28 -13.846 8.329 4.448 1.00 0.00 O ATOM 382 OE2 GLU A 28 -13.764 10.488 4.850 1.00 0.00 O ATOM 0 H GLU A 28 -8.651 7.625 3.819 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.319 10.329 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.937 7.771 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.185 9.188 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.483 10.470 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.667 8.882 3.131 1.00 0.00 H new ATOM 389 N GLN A 29 -8.257 7.563 6.254 1.00 0.00 N ATOM 390 CA GLN A 29 -7.489 7.053 7.383 1.00 0.00 C ATOM 391 C GLN A 29 -6.347 6.161 6.907 1.00 0.00 C ATOM 392 O GLN A 29 -5.266 6.150 7.496 1.00 0.00 O ATOM 393 CB GLN A 29 -8.399 6.273 8.334 1.00 0.00 C ATOM 394 CG GLN A 29 -7.678 5.731 9.558 1.00 0.00 C ATOM 395 CD GLN A 29 -6.977 6.817 10.351 1.00 0.00 C ATOM 396 OE1 GLN A 29 -7.293 8.000 10.219 1.00 0.00 O ATOM 397 NE2 GLN A 29 -6.019 6.420 11.180 1.00 0.00 N ATOM 0 H GLN A 29 -8.514 6.856 5.565 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.063 7.904 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.212 6.922 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.851 5.443 7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.395 5.222 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.947 4.986 9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.790 5.429 11.258 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.512 7.106 11.739 1.00 0.00 H new ATOM 406 N LEU A 30 -6.594 5.413 5.837 1.00 0.00 N ATOM 407 CA LEU A 30 -5.587 4.517 5.280 1.00 0.00 C ATOM 408 C LEU A 30 -5.294 4.863 3.824 1.00 0.00 C ATOM 409 O LEU A 30 -6.111 4.607 2.939 1.00 0.00 O ATOM 410 CB LEU A 30 -6.053 3.064 5.387 1.00 0.00 C ATOM 411 CG LEU A 30 -6.595 2.632 6.750 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.625 1.524 6.588 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.460 2.179 7.656 1.00 0.00 C ATOM 0 H LEU A 30 -7.483 5.409 5.338 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.669 4.641 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.829 2.896 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.216 2.415 5.129 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.083 3.489 7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.000 1.229 7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.453 1.883 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.162 0.665 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.864 1.875 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.943 1.336 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.758 3.001 7.799 1.00 0.00 H new ATOM 425 N ARG A 31 -4.124 5.445 3.583 1.00 0.00 N ATOM 426 CA ARG A 31 -3.723 5.825 2.234 1.00 0.00 C ATOM 427 C ARG A 31 -2.836 4.753 1.608 1.00 0.00 C ATOM 428 O ARG A 31 -1.799 4.375 2.153 1.00 0.00 O ATOM 429 CB ARG A 31 -2.984 7.165 2.257 1.00 0.00 C ATOM 430 CG ARG A 31 -3.902 8.364 2.430 1.00 0.00 C ATOM 431 CD ARG A 31 -3.130 9.672 2.356 1.00 0.00 C ATOM 432 NE ARG A 31 -2.222 9.836 3.489 1.00 0.00 N ATOM 433 CZ ARG A 31 -1.690 11.000 3.841 1.00 0.00 C ATOM 434 NH1 ARG A 31 -1.973 12.098 3.152 1.00 0.00 N ATOM 435 NH2 ARG A 31 -0.872 11.069 4.884 1.00 0.00 N ATOM 0 H ARG A 31 -3.437 5.664 4.305 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.624 5.925 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.256 7.155 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.424 7.278 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.671 8.350 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.414 8.296 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.561 9.705 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.831 10.506 2.330 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.984 9.011 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.601 12.049 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.563 12.991 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.652 10.227 5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.464 11.964 5.154 1.00 0.00 H new ATOM 449 N PRO A 32 -3.251 4.251 0.435 1.00 0.00 N ATOM 450 CA PRO A 32 -2.509 3.216 -0.290 1.00 0.00 C ATOM 451 C PRO A 32 -1.198 3.740 -0.868 1.00 0.00 C ATOM 452 O PRO A 32 -1.196 4.585 -1.763 1.00 0.00 O ATOM 453 CB PRO A 32 -3.467 2.816 -1.415 1.00 0.00 C ATOM 454 CG PRO A 32 -4.328 4.013 -1.624 1.00 0.00 C ATOM 455 CD PRO A 32 -4.478 4.656 -0.272 1.00 0.00 C ATOM 0 HA PRO A 32 -2.223 2.389 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.924 2.556 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.061 1.945 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.873 4.702 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.298 3.729 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.558 5.740 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.373 4.306 0.243 1.00 0.00 H new ATOM 463 N LYS A 33 -0.085 3.232 -0.350 1.00 0.00 N ATOM 464 CA LYS A 33 1.233 3.647 -0.815 1.00 0.00 C ATOM 465 C LYS A 33 1.958 2.492 -1.499 1.00 0.00 C ATOM 466 O LYS A 33 1.980 1.371 -0.988 1.00 0.00 O ATOM 467 CB LYS A 33 2.070 4.166 0.357 1.00 0.00 C ATOM 468 CG LYS A 33 1.345 5.186 1.217 1.00 0.00 C ATOM 469 CD LYS A 33 1.026 6.449 0.434 1.00 0.00 C ATOM 470 CE LYS A 33 2.133 7.483 0.569 1.00 0.00 C ATOM 471 NZ LYS A 33 2.210 8.371 -0.624 1.00 0.00 N ATOM 0 H LYS A 33 -0.069 2.532 0.392 1.00 0.00 H new ATOM 0 HA LYS A 33 1.098 4.449 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.368 3.323 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.984 4.615 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.422 4.751 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.960 5.438 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.885 6.200 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.087 6.872 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.960 8.086 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.088 6.977 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.206 8.508 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.697 7.934 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.781 9.292 -0.400 1.00 0.00 H new ATOM 485 N LEU A 34 2.550 2.771 -2.654 1.00 0.00 N ATOM 486 CA LEU A 34 3.277 1.755 -3.407 1.00 0.00 C ATOM 487 C LEU A 34 4.776 1.848 -3.140 1.00 0.00 C ATOM 488 O LEU A 34 5.371 2.921 -3.245 1.00 0.00 O ATOM 489 CB LEU A 34 3.004 1.909 -4.905 1.00 0.00 C ATOM 490 CG LEU A 34 3.052 0.624 -5.731 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.390 -0.520 -4.979 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.384 0.833 -7.082 1.00 0.00 C ATOM 0 H LEU A 34 2.541 3.693 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 34 2.928 0.776 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.020 2.361 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.731 2.609 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 34 4.097 0.363 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.434 -1.426 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.912 -0.686 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.349 -0.269 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.428 -0.092 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.343 1.119 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.902 1.623 -7.626 1.00 0.00 H new ATOM 504 N LEU A 35 5.381 0.717 -2.796 1.00 0.00 N ATOM 505 CA LEU A 35 6.812 0.669 -2.516 1.00 0.00 C ATOM 506 C LEU A 35 7.613 0.486 -3.801 1.00 0.00 C ATOM 507 O LEU A 35 7.070 0.085 -4.831 1.00 0.00 O ATOM 508 CB LEU A 35 7.123 -0.468 -1.542 1.00 0.00 C ATOM 509 CG LEU A 35 6.482 -0.361 -0.158 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.685 -1.648 0.626 1.00 0.00 C ATOM 511 CD2 LEU A 35 7.055 0.825 0.604 1.00 0.00 C ATOM 0 H LEU A 35 4.903 -0.179 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 35 7.100 1.617 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.804 -1.406 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.204 -0.526 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 35 5.411 -0.203 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.222 -1.553 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.227 -2.478 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.752 -1.837 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.588 0.886 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.131 0.697 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.857 1.743 0.050 1.00 0.00 H new ATOM 523 N HIS A 36 8.907 0.781 -3.733 1.00 0.00 N ATOM 524 CA HIS A 36 9.784 0.647 -4.891 1.00 0.00 C ATOM 525 C HIS A 36 9.788 -0.789 -5.406 1.00 0.00 C ATOM 526 O HIS A 36 10.316 -1.073 -6.481 1.00 0.00 O ATOM 527 CB HIS A 36 11.207 1.076 -4.532 1.00 0.00 C ATOM 528 CG HIS A 36 11.340 2.544 -4.266 1.00 0.00 C ATOM 529 ND1 HIS A 36 10.407 3.479 -3.973 1.00 0.00 N flip ATOM 530 CD2 HIS A 36 12.550 3.206 -4.287 1.00 0.00 C flip ATOM 531 CE1 HIS A 36 11.063 4.676 -3.823 1.00 0.00 C flip ATOM 532 NE2 HIS A 36 12.355 4.484 -4.017 1.00 0.00 N flip ATOM 0 H HIS A 36 9.372 1.114 -2.888 1.00 0.00 H new ATOM 0 HA HIS A 36 9.405 1.296 -5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.533 0.524 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.877 0.800 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.507 2.750 -4.492 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.598 5.621 -3.585 1.00 0.00 H new ATOM 0 HE2 HIS A 36 13.079 5.201 -3.967 1.00 0.00 H new ATOM 540 N CYS A 37 9.196 -1.692 -4.631 1.00 0.00 N ATOM 541 CA CYS A 37 9.132 -3.099 -5.007 1.00 0.00 C ATOM 542 C CYS A 37 7.882 -3.384 -5.835 1.00 0.00 C ATOM 543 O CYS A 37 7.950 -4.039 -6.875 1.00 0.00 O ATOM 544 CB CYS A 37 9.141 -3.983 -3.758 1.00 0.00 C ATOM 545 SG CYS A 37 7.720 -3.720 -2.649 1.00 0.00 S ATOM 0 H CYS A 37 8.754 -1.474 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 37 10.009 -3.328 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.159 -5.028 -4.066 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.061 -3.799 -3.202 1.00 0.00 H new ATOM 550 N GLY A 38 6.742 -2.887 -5.367 1.00 0.00 N ATOM 551 CA GLY A 38 5.493 -3.098 -6.077 1.00 0.00 C ATOM 552 C GLY A 38 4.330 -3.354 -5.140 1.00 0.00 C ATOM 553 O GLY A 38 3.185 -3.030 -5.457 1.00 0.00 O ATOM 0 H GLY A 38 6.660 -2.342 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.275 -2.224 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.603 -3.944 -6.755 1.00 0.00 H new ATOM 557 N HIS A 39 4.622 -3.939 -3.982 1.00 0.00 N ATOM 558 CA HIS A 39 3.590 -4.240 -2.996 1.00 0.00 C ATOM 559 C HIS A 39 2.914 -2.961 -2.510 1.00 0.00 C ATOM 560 O HIS A 39 3.562 -1.926 -2.347 1.00 0.00 O ATOM 561 CB HIS A 39 4.192 -4.994 -1.810 1.00 0.00 C ATOM 562 CG HIS A 39 4.583 -6.404 -2.134 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.797 -6.949 -1.773 1.00 0.00 N ATOM 564 CD2 HIS A 39 3.912 -7.381 -2.787 1.00 0.00 C ATOM 565 CE1 HIS A 39 5.857 -8.201 -2.192 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.725 -8.488 -2.810 1.00 0.00 N ATOM 0 H HIS A 39 5.564 -4.214 -3.704 1.00 0.00 H new ATOM 0 HA HIS A 39 2.839 -4.869 -3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.070 -4.455 -1.455 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.471 -5.004 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.922 -7.305 -3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.690 -8.875 -2.053 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.493 -9.386 -3.235 1.00 0.00 H new ATOM 574 N THR A 40 1.607 -3.039 -2.280 1.00 0.00 N ATOM 575 CA THR A 40 0.843 -1.888 -1.815 1.00 0.00 C ATOM 576 C THR A 40 0.491 -2.023 -0.338 1.00 0.00 C ATOM 577 O THR A 40 -0.129 -3.003 0.075 1.00 0.00 O ATOM 578 CB THR A 40 -0.454 -1.710 -2.626 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.142 -1.462 -4.001 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.284 -0.561 -2.074 1.00 0.00 C ATOM 0 H THR A 40 1.055 -3.887 -2.408 1.00 0.00 H new ATOM 0 HA THR A 40 1.474 -1.011 -1.957 1.00 0.00 H new ATOM 0 HB THR A 40 -1.035 -2.629 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.860 -1.813 -4.568 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.195 -0.455 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.545 -0.767 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.708 0.363 -2.127 1.00 0.00 H new ATOM 588 N ILE A 41 0.890 -1.032 0.453 1.00 0.00 N ATOM 589 CA ILE A 41 0.615 -1.040 1.885 1.00 0.00 C ATOM 590 C ILE A 41 0.019 0.288 2.337 1.00 0.00 C ATOM 591 O ILE A 41 0.360 1.347 1.808 1.00 0.00 O ATOM 592 CB ILE A 41 1.890 -1.323 2.702 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.653 -2.507 2.104 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.537 -1.594 4.157 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.842 -2.940 2.933 1.00 0.00 C ATOM 0 H ILE A 41 1.404 -0.214 0.127 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.105 -1.838 2.064 1.00 0.00 H new ATOM 0 HB ILE A 41 2.532 -0.443 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.971 -3.350 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.995 -2.241 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.448 -1.792 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.032 -0.724 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.878 -2.460 4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.335 -3.783 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.544 -2.111 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.504 -3.238 3.926 1.00 0.00 H new ATOM 607 N CYS A 42 -0.872 0.226 3.321 1.00 0.00 N ATOM 608 CA CYS A 42 -1.516 1.424 3.847 1.00 0.00 C ATOM 609 C CYS A 42 -0.529 2.260 4.657 1.00 0.00 C ATOM 610 O CYS A 42 0.235 1.730 5.463 1.00 0.00 O ATOM 611 CB CYS A 42 -2.714 1.043 4.719 1.00 0.00 C ATOM 612 SG CYS A 42 -2.263 0.277 6.309 1.00 0.00 S ATOM 0 H CYS A 42 -1.165 -0.642 3.770 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.864 2.020 3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.307 1.937 4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.350 0.354 4.163 1.00 0.00 H new ATOM 617 N ARG A 43 -0.553 3.571 4.437 1.00 0.00 N ATOM 618 CA ARG A 43 0.339 4.481 5.144 1.00 0.00 C ATOM 619 C ARG A 43 0.445 4.101 6.619 1.00 0.00 C ATOM 620 O ARG A 43 1.484 4.303 7.248 1.00 0.00 O ATOM 621 CB ARG A 43 -0.157 5.922 5.012 1.00 0.00 C ATOM 622 CG ARG A 43 -1.183 6.311 6.065 1.00 0.00 C ATOM 623 CD ARG A 43 -0.514 6.799 7.340 1.00 0.00 C ATOM 624 NE ARG A 43 -0.298 8.243 7.328 1.00 0.00 N ATOM 625 CZ ARG A 43 -1.245 9.130 7.611 1.00 0.00 C ATOM 626 NH1 ARG A 43 -2.466 8.723 7.928 1.00 0.00 N ATOM 627 NH2 ARG A 43 -0.972 10.428 7.578 1.00 0.00 N ATOM 0 H ARG A 43 -1.181 4.026 3.774 1.00 0.00 H new ATOM 0 HA ARG A 43 1.328 4.403 4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.695 6.598 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.594 6.058 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.832 7.093 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.817 5.454 6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.131 6.532 8.198 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.442 6.291 7.465 1.00 0.00 H new ATOM 0 HE ARG A 43 0.631 8.589 7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.680 7.726 7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.191 9.407 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.034 10.746 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.700 11.108 7.796 1.00 0.00 H new ATOM 641 N GLN A 44 -0.636 3.551 7.162 1.00 0.00 N ATOM 642 CA GLN A 44 -0.664 3.145 8.562 1.00 0.00 C ATOM 643 C GLN A 44 0.426 2.119 8.853 1.00 0.00 C ATOM 644 O GLN A 44 1.195 2.267 9.804 1.00 0.00 O ATOM 645 CB GLN A 44 -2.034 2.566 8.919 1.00 0.00 C ATOM 646 CG GLN A 44 -1.994 1.575 10.071 1.00 0.00 C ATOM 647 CD GLN A 44 -3.366 1.306 10.658 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.247 0.715 9.860 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.631 1.627 11.817 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.503 3.376 6.654 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.479 4.028 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.708 3.383 9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.451 2.073 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.562 0.637 9.723 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.338 1.958 10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.923 2.079 12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.558 1.440 12.199 1.00 0.00 H new ATOM 658 N CYS A 45 0.488 1.078 8.029 1.00 0.00 N ATOM 659 CA CYS A 45 1.483 0.026 8.198 1.00 0.00 C ATOM 660 C CYS A 45 2.871 0.523 7.805 1.00 0.00 C ATOM 661 O CYS A 45 3.861 0.229 8.477 1.00 0.00 O ATOM 662 CB CYS A 45 1.110 -1.197 7.358 1.00 0.00 C ATOM 663 SG CYS A 45 -0.291 -2.154 8.019 1.00 0.00 S ATOM 0 H CYS A 45 -0.140 0.941 7.237 1.00 0.00 H new ATOM 0 HA CYS A 45 1.502 -0.257 9.250 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.868 -0.870 6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.979 -1.851 7.282 1.00 0.00 H new ATOM 668 N LEU A 46 2.936 1.278 6.714 1.00 0.00 N ATOM 669 CA LEU A 46 4.203 1.816 6.231 1.00 0.00 C ATOM 670 C LEU A 46 4.808 2.780 7.247 1.00 0.00 C ATOM 671 O LEU A 46 6.024 2.823 7.427 1.00 0.00 O ATOM 672 CB LEU A 46 3.999 2.530 4.893 1.00 0.00 C ATOM 673 CG LEU A 46 5.268 3.013 4.190 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.795 1.944 3.245 1.00 0.00 C ATOM 675 CD2 LEU A 46 5.001 4.308 3.437 1.00 0.00 C ATOM 0 H LEU A 46 2.127 1.531 6.147 1.00 0.00 H new ATOM 0 HA LEU A 46 4.893 0.984 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.470 1.855 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.349 3.390 5.058 1.00 0.00 H new ATOM 0 HG LEU A 46 6.028 3.206 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.698 2.306 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.026 1.041 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.039 1.718 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.915 4.637 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.225 4.141 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.671 5.075 4.138 1.00 0.00 H new ATOM 687 N GLU A 47 3.950 3.549 7.909 1.00 0.00 N ATOM 688 CA GLU A 47 4.400 4.510 8.909 1.00 0.00 C ATOM 689 C GLU A 47 5.141 3.809 10.043 1.00 0.00 C ATOM 690 O GLU A 47 6.242 4.210 10.423 1.00 0.00 O ATOM 691 CB GLU A 47 3.211 5.293 9.469 1.00 0.00 C ATOM 692 CG GLU A 47 2.841 6.513 8.642 1.00 0.00 C ATOM 693 CD GLU A 47 3.798 7.671 8.851 1.00 0.00 C ATOM 694 OE1 GLU A 47 5.024 7.444 8.797 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.320 8.804 9.069 1.00 0.00 O ATOM 0 H GLU A 47 2.940 3.525 7.771 1.00 0.00 H new ATOM 0 HA GLU A 47 5.086 5.204 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.347 4.631 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.442 5.610 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.829 6.242 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.831 6.830 8.901 1.00 0.00 H new ATOM 702 N LYS A 48 4.530 2.759 10.581 1.00 0.00 N ATOM 703 CA LYS A 48 5.130 2.000 11.672 1.00 0.00 C ATOM 704 C LYS A 48 6.547 1.562 11.315 1.00 0.00 C ATOM 705 O LYS A 48 7.433 1.535 12.171 1.00 0.00 O ATOM 706 CB LYS A 48 4.273 0.775 11.999 1.00 0.00 C ATOM 707 CG LYS A 48 3.256 1.020 13.100 1.00 0.00 C ATOM 708 CD LYS A 48 1.973 1.621 12.549 1.00 0.00 C ATOM 709 CE LYS A 48 1.031 0.546 12.031 1.00 0.00 C ATOM 710 NZ LYS A 48 0.307 -0.138 13.139 1.00 0.00 N ATOM 0 H LYS A 48 3.619 2.414 10.279 1.00 0.00 H new ATOM 0 HA LYS A 48 5.179 2.647 12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.750 0.457 11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.926 -0.046 12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.031 0.081 13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.681 1.690 13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.475 2.197 13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.212 2.316 11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.309 0.994 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.598 -0.189 11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.023 -1.090 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.931 -0.213 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.539 0.411 13.392 1.00 0.00 H new ATOM 724 N LEU A 49 6.754 1.221 10.048 1.00 0.00 N ATOM 725 CA LEU A 49 8.065 0.786 9.578 1.00 0.00 C ATOM 726 C LEU A 49 8.999 1.977 9.390 1.00 0.00 C ATOM 727 O LEU A 49 10.101 2.008 9.939 1.00 0.00 O ATOM 728 CB LEU A 49 7.928 0.018 8.262 1.00 0.00 C ATOM 729 CG LEU A 49 7.159 -1.302 8.332 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.908 -1.848 6.935 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.918 -2.316 9.175 1.00 0.00 C ATOM 0 H LEU A 49 6.032 1.237 9.328 1.00 0.00 H new ATOM 0 HA LEU A 49 8.494 0.127 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.434 0.665 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.927 -0.187 7.878 1.00 0.00 H new ATOM 0 HG LEU A 49 6.195 -1.115 8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.360 -2.788 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.323 -1.128 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.861 -2.020 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.357 -3.249 9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.896 -2.499 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.046 -1.927 10.185 1.00 0.00 H new ATOM 743 N LEU A 50 8.551 2.957 8.613 1.00 0.00 N ATOM 744 CA LEU A 50 9.346 4.152 8.354 1.00 0.00 C ATOM 745 C LEU A 50 9.818 4.786 9.659 1.00 0.00 C ATOM 746 O LEU A 50 10.974 5.190 9.781 1.00 0.00 O ATOM 747 CB LEU A 50 8.531 5.166 7.548 1.00 0.00 C ATOM 748 CG LEU A 50 9.335 6.138 6.683 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.469 6.699 5.566 1.00 0.00 C ATOM 750 CD2 LEU A 50 9.905 7.262 7.535 1.00 0.00 C ATOM 0 H LEU A 50 7.641 2.948 8.151 1.00 0.00 H new ATOM 0 HA LEU A 50 10.222 3.857 7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.844 4.619 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.922 5.746 8.241 1.00 0.00 H new ATOM 0 HG LEU A 50 10.165 5.594 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.057 7.389 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.109 5.883 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.619 7.228 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.474 7.944 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.090 7.805 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.560 6.843 8.299 1.00 0.00 H new ATOM 762 N ALA A 51 8.916 4.866 10.632 1.00 0.00 N ATOM 763 CA ALA A 51 9.242 5.445 11.929 1.00 0.00 C ATOM 764 C ALA A 51 10.639 5.032 12.380 1.00 0.00 C ATOM 765 O ALA A 51 11.552 5.856 12.438 1.00 0.00 O ATOM 766 CB ALA A 51 8.208 5.033 12.966 1.00 0.00 C ATOM 0 H ALA A 51 7.954 4.537 10.546 1.00 0.00 H new ATOM 0 HA ALA A 51 9.227 6.530 11.828 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.464 5.473 13.930 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.223 5.384 12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.195 3.947 13.055 1.00 0.00 H new ATOM 772 N SER A 52 10.799 3.752 12.698 1.00 0.00 N ATOM 773 CA SER A 52 12.085 3.230 13.148 1.00 0.00 C ATOM 774 C SER A 52 13.137 3.360 12.051 1.00 0.00 C ATOM 775 O SER A 52 14.211 3.919 12.269 1.00 0.00 O ATOM 776 CB SER A 52 11.946 1.766 13.568 1.00 0.00 C ATOM 777 OG SER A 52 13.031 1.366 14.388 1.00 0.00 O ATOM 0 H SER A 52 10.054 3.056 12.653 1.00 0.00 H new ATOM 0 HA SER A 52 12.408 3.817 14.008 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.008 1.626 14.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.903 1.133 12.682 1.00 0.00 H new ATOM 0 HG SER A 52 12.918 0.427 14.645 1.00 0.00 H new ATOM 783 N SER A 53 12.820 2.837 10.870 1.00 0.00 N ATOM 784 CA SER A 53 13.738 2.889 9.739 1.00 0.00 C ATOM 785 C SER A 53 14.333 4.286 9.587 1.00 0.00 C ATOM 786 O SER A 53 13.719 5.280 9.977 1.00 0.00 O ATOM 787 CB SER A 53 13.018 2.486 8.451 1.00 0.00 C ATOM 788 OG SER A 53 13.125 1.091 8.223 1.00 0.00 O ATOM 0 H SER A 53 11.934 2.372 10.672 1.00 0.00 H new ATOM 0 HA SER A 53 14.549 2.186 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.967 2.768 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.443 3.029 7.607 1.00 0.00 H new ATOM 0 HG SER A 53 13.405 0.931 7.298 1.00 0.00 H new ATOM 794 N ILE A 54 15.531 4.353 9.016 1.00 0.00 N ATOM 795 CA ILE A 54 16.209 5.627 8.811 1.00 0.00 C ATOM 796 C ILE A 54 16.723 5.752 7.381 1.00 0.00 C ATOM 797 O ILE A 54 16.759 6.845 6.817 1.00 0.00 O ATOM 798 CB ILE A 54 17.389 5.801 9.785 1.00 0.00 C ATOM 799 CG1 ILE A 54 18.089 7.139 9.539 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.370 4.648 9.640 1.00 0.00 C ATOM 801 CD1 ILE A 54 18.864 7.644 10.736 1.00 0.00 C ATOM 0 H ILE A 54 16.052 3.540 8.687 1.00 0.00 H new ATOM 0 HA ILE A 54 15.474 6.409 9.001 1.00 0.00 H new ATOM 0 HB ILE A 54 17.003 5.797 10.804 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.769 7.034 8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.344 7.883 9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.198 4.785 10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.863 3.709 9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.753 4.622 8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.334 8.596 10.490 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.185 7.781 11.578 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.632 6.919 11.004 1.00 0.00 H new ATOM 813 N ASN A 55 17.118 4.624 6.799 1.00 0.00 N ATOM 814 CA ASN A 55 17.629 4.607 5.433 1.00 0.00 C ATOM 815 C ASN A 55 16.649 3.911 4.494 1.00 0.00 C ATOM 816 O ASN A 55 17.049 3.148 3.616 1.00 0.00 O ATOM 817 CB ASN A 55 18.987 3.903 5.384 1.00 0.00 C ATOM 818 CG ASN A 55 20.093 4.736 6.001 1.00 0.00 C ATOM 819 OD1 ASN A 55 19.866 5.866 6.434 1.00 0.00 O ATOM 820 ND2 ASN A 55 21.298 4.181 6.045 1.00 0.00 N ATOM 0 H ASN A 55 17.094 3.710 7.252 1.00 0.00 H new ATOM 0 HA ASN A 55 17.749 5.639 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 55 18.918 2.950 5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.240 3.679 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 55 22.081 4.694 6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.441 3.242 5.674 1.00 0.00 H new ATOM 827 N GLY A 56 15.361 4.181 4.686 1.00 0.00 N ATOM 828 CA GLY A 56 14.343 3.574 3.849 1.00 0.00 C ATOM 829 C GLY A 56 13.468 2.600 4.614 1.00 0.00 C ATOM 830 O GLY A 56 13.866 2.086 5.659 1.00 0.00 O ATOM 0 H GLY A 56 15.005 4.809 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.719 4.356 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.822 3.053 3.020 1.00 0.00 H new ATOM 834 N VAL A 57 12.272 2.346 4.093 1.00 0.00 N ATOM 835 CA VAL A 57 11.338 1.428 4.734 1.00 0.00 C ATOM 836 C VAL A 57 11.541 0.001 4.236 1.00 0.00 C ATOM 837 O VAL A 57 11.698 -0.232 3.038 1.00 0.00 O ATOM 838 CB VAL A 57 9.877 1.846 4.480 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.922 0.920 5.217 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.658 3.292 4.896 1.00 0.00 C ATOM 0 H VAL A 57 11.927 2.763 3.229 1.00 0.00 H new ATOM 0 HA VAL A 57 11.539 1.468 5.805 1.00 0.00 H new ATOM 0 HB VAL A 57 9.673 1.764 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.895 1.230 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.063 -0.102 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.122 0.968 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.621 3.571 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.879 3.403 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.317 3.940 4.319 1.00 0.00 H new ATOM 850 N ARG A 58 11.537 -0.950 5.164 1.00 0.00 N ATOM 851 CA ARG A 58 11.721 -2.354 4.820 1.00 0.00 C ATOM 852 C ARG A 58 10.375 -3.049 4.632 1.00 0.00 C ATOM 853 O ARG A 58 9.571 -3.130 5.562 1.00 0.00 O ATOM 854 CB ARG A 58 12.527 -3.066 5.908 1.00 0.00 C ATOM 855 CG ARG A 58 12.623 -4.570 5.709 1.00 0.00 C ATOM 856 CD ARG A 58 13.155 -5.264 6.953 1.00 0.00 C ATOM 857 NE ARG A 58 12.166 -5.297 8.027 1.00 0.00 N ATOM 858 CZ ARG A 58 11.210 -6.215 8.117 1.00 0.00 C ATOM 859 NH1 ARG A 58 11.116 -7.171 7.203 1.00 0.00 N ATOM 860 NH2 ARG A 58 10.347 -6.179 9.124 1.00 0.00 N ATOM 0 H ARG A 58 11.408 -0.773 6.160 1.00 0.00 H new ATOM 0 HA ARG A 58 12.270 -2.403 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.533 -2.647 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.070 -2.865 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.639 -4.969 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.276 -4.785 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.451 -6.282 6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.050 -4.749 7.301 1.00 0.00 H new ATOM 0 HE ARG A 58 12.212 -4.576 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.779 -7.203 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.381 -7.875 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.417 -5.446 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.613 -6.884 9.192 1.00 0.00 H new ATOM 874 N CYS A 59 10.137 -3.548 3.424 1.00 0.00 N ATOM 875 CA CYS A 59 8.889 -4.235 3.113 1.00 0.00 C ATOM 876 C CYS A 59 8.837 -5.602 3.789 1.00 0.00 C ATOM 877 O CYS A 59 9.745 -6.423 3.656 1.00 0.00 O ATOM 878 CB CYS A 59 8.735 -4.396 1.599 1.00 0.00 C ATOM 879 SG CYS A 59 7.098 -5.002 1.079 1.00 0.00 S ATOM 0 H CYS A 59 10.792 -3.490 2.644 1.00 0.00 H new ATOM 0 HA CYS A 59 8.066 -3.630 3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.923 -3.435 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.498 -5.086 1.238 1.00 0.00 H new ATOM 884 N PRO A 60 7.750 -5.854 4.532 1.00 0.00 N ATOM 885 CA PRO A 60 7.553 -7.120 5.244 1.00 0.00 C ATOM 886 C PRO A 60 7.293 -8.284 4.293 1.00 0.00 C ATOM 887 O PRO A 60 7.053 -9.411 4.727 1.00 0.00 O ATOM 888 CB PRO A 60 6.320 -6.852 6.111 1.00 0.00 C ATOM 889 CG PRO A 60 5.581 -5.775 5.395 1.00 0.00 C ATOM 890 CD PRO A 60 6.628 -4.921 4.736 1.00 0.00 C ATOM 0 HA PRO A 60 8.436 -7.409 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.709 -7.748 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.603 -6.538 7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.898 -6.195 4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.978 -5.188 6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.273 -4.507 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.915 -4.079 5.366 1.00 0.00 H new ATOM 898 N PHE A 61 7.343 -8.005 2.995 1.00 0.00 N ATOM 899 CA PHE A 61 7.112 -9.029 1.983 1.00 0.00 C ATOM 900 C PHE A 61 8.406 -9.369 1.248 1.00 0.00 C ATOM 901 O PHE A 61 8.931 -10.476 1.371 1.00 0.00 O ATOM 902 CB PHE A 61 6.053 -8.560 0.984 1.00 0.00 C ATOM 903 CG PHE A 61 4.781 -8.093 1.633 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.103 -8.909 2.524 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.265 -6.838 1.353 1.00 0.00 C ATOM 906 CE1 PHE A 61 2.932 -8.483 3.122 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.095 -6.406 1.949 1.00 0.00 C ATOM 908 CZ PHE A 61 2.428 -7.229 2.835 1.00 0.00 C ATOM 0 H PHE A 61 7.542 -7.078 2.619 1.00 0.00 H new ATOM 0 HA PHE A 61 6.754 -9.927 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.465 -7.748 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.824 -9.377 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.494 -9.889 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.783 -6.190 0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.412 -9.130 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.703 -5.426 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.514 -6.893 3.303 1.00 0.00 H new ATOM 918 N CYS A 62 8.914 -8.408 0.484 1.00 0.00 N ATOM 919 CA CYS A 62 10.145 -8.603 -0.273 1.00 0.00 C ATOM 920 C CYS A 62 11.341 -8.021 0.475 1.00 0.00 C ATOM 921 O CYS A 62 12.486 -8.399 0.226 1.00 0.00 O ATOM 922 CB CYS A 62 10.028 -7.955 -1.654 1.00 0.00 C ATOM 923 SG CYS A 62 9.723 -6.160 -1.609 1.00 0.00 S ATOM 0 H CYS A 62 8.492 -7.486 0.373 1.00 0.00 H new ATOM 0 HA CYS A 62 10.301 -9.675 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.946 -8.143 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.218 -8.437 -2.202 1.00 0.00 H new ATOM 928 N SER A 63 11.067 -7.099 1.393 1.00 0.00 N ATOM 929 CA SER A 63 12.119 -6.462 2.175 1.00 0.00 C ATOM 930 C SER A 63 13.013 -5.604 1.285 1.00 0.00 C ATOM 931 O SER A 63 14.240 -5.655 1.383 1.00 0.00 O ATOM 932 CB SER A 63 12.960 -7.518 2.894 1.00 0.00 C ATOM 933 OG SER A 63 12.144 -8.376 3.673 1.00 0.00 O ATOM 0 H SER A 63 10.125 -6.777 1.613 1.00 0.00 H new ATOM 0 HA SER A 63 11.647 -5.817 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.516 -8.105 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.694 -7.029 3.534 1.00 0.00 H new ATOM 0 HG SER A 63 11.277 -7.948 3.831 1.00 0.00 H new ATOM 939 N LYS A 64 12.390 -4.816 0.415 1.00 0.00 N ATOM 940 CA LYS A 64 13.127 -3.945 -0.493 1.00 0.00 C ATOM 941 C LYS A 64 13.164 -2.515 0.036 1.00 0.00 C ATOM 942 O LYS A 64 12.312 -1.694 -0.307 1.00 0.00 O ATOM 943 CB LYS A 64 12.489 -3.969 -1.884 1.00 0.00 C ATOM 944 CG LYS A 64 12.927 -5.150 -2.733 1.00 0.00 C ATOM 945 CD LYS A 64 12.348 -5.073 -4.136 1.00 0.00 C ATOM 946 CE LYS A 64 12.810 -6.240 -4.994 1.00 0.00 C ATOM 947 NZ LYS A 64 12.334 -6.118 -6.400 1.00 0.00 N ATOM 0 H LYS A 64 11.376 -4.763 0.320 1.00 0.00 H new ATOM 0 HA LYS A 64 14.150 -4.315 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.405 -3.991 -1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.739 -3.045 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.015 -5.176 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.610 -6.078 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.259 -5.068 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.648 -4.135 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.899 -6.291 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.443 -7.173 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.670 -6.933 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.294 -6.095 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.705 -5.241 -6.817 1.00 0.00 H new ATOM 961 N ILE A 65 14.157 -2.223 0.870 1.00 0.00 N ATOM 962 CA ILE A 65 14.306 -0.891 1.443 1.00 0.00 C ATOM 963 C ILE A 65 13.823 0.182 0.473 1.00 0.00 C ATOM 964 O ILE A 65 14.271 0.247 -0.672 1.00 0.00 O ATOM 965 CB ILE A 65 15.770 -0.603 1.824 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.277 -1.649 2.819 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.900 0.797 2.406 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.558 -1.615 4.149 1.00 0.00 C ATOM 0 H ILE A 65 14.870 -2.891 1.164 1.00 0.00 H new ATOM 0 HA ILE A 65 13.693 -0.864 2.344 1.00 0.00 H new ATOM 0 HB ILE A 65 16.382 -0.660 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.166 -2.640 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.343 -1.493 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.940 0.986 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.575 1.530 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.278 0.880 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.969 -2.383 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.691 -0.636 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.495 -1.802 3.993 1.00 0.00 H new ATOM 980 N THR A 66 12.908 1.025 0.939 1.00 0.00 N ATOM 981 CA THR A 66 12.365 2.097 0.114 1.00 0.00 C ATOM 982 C THR A 66 12.945 3.448 0.515 1.00 0.00 C ATOM 983 O THR A 66 12.328 4.200 1.271 1.00 0.00 O ATOM 984 CB THR A 66 10.829 2.160 0.215 1.00 0.00 C ATOM 985 OG1 THR A 66 10.297 0.848 0.427 1.00 0.00 O ATOM 986 CG2 THR A 66 10.228 2.758 -1.048 1.00 0.00 C ATOM 0 H THR A 66 12.527 0.986 1.884 1.00 0.00 H new ATOM 0 HA THR A 66 12.646 1.876 -0.916 1.00 0.00 H new ATOM 0 HB THR A 66 10.569 2.798 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.904 0.516 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.143 2.792 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.612 3.768 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.498 2.143 -1.906 1.00 0.00 H new ATOM 994 N ARG A 67 14.134 3.751 0.005 1.00 0.00 N ATOM 995 CA ARG A 67 14.798 5.012 0.311 1.00 0.00 C ATOM 996 C ARG A 67 13.864 6.193 0.061 1.00 0.00 C ATOM 997 O ARG A 67 13.821 6.740 -1.041 1.00 0.00 O ATOM 998 CB ARG A 67 16.065 5.164 -0.533 1.00 0.00 C ATOM 999 CG ARG A 67 17.146 4.150 -0.195 1.00 0.00 C ATOM 1000 CD ARG A 67 17.017 2.894 -1.043 1.00 0.00 C ATOM 1001 NE ARG A 67 18.275 2.158 -1.125 1.00 0.00 N ATOM 1002 CZ ARG A 67 18.510 1.201 -2.016 1.00 0.00 C ATOM 1003 NH1 ARG A 67 17.577 0.868 -2.898 1.00 0.00 N ATOM 1004 NH2 ARG A 67 19.681 0.576 -2.028 1.00 0.00 N ATOM 0 H ARG A 67 14.657 3.140 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 67 15.071 5.003 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.804 5.066 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.465 6.169 -0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 67 18.128 4.597 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.081 3.886 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.246 2.249 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.690 3.166 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 67 19.014 2.391 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.677 1.347 -2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.760 0.133 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.402 0.830 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.860 -0.159 -2.713 1.00 0.00 H new ATOM 1018 N ILE A 68 13.118 6.579 1.091 1.00 0.00 N ATOM 1019 CA ILE A 68 12.186 7.694 0.983 1.00 0.00 C ATOM 1020 C ILE A 68 11.988 8.377 2.332 1.00 0.00 C ATOM 1021 O ILE A 68 11.330 7.838 3.223 1.00 0.00 O ATOM 1022 CB ILE A 68 10.818 7.234 0.447 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.342 5.990 1.200 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.900 6.956 -1.047 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.910 6.084 1.679 1.00 0.00 C ATOM 0 H ILE A 68 13.141 6.136 2.009 1.00 0.00 H new ATOM 0 HA ILE A 68 12.622 8.403 0.280 1.00 0.00 H new ATOM 0 HB ILE A 68 10.094 8.033 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.443 5.121 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.993 5.823 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.925 6.632 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.199 7.864 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.635 6.173 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.641 5.167 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.807 6.933 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.248 6.220 0.823 1.00 0.00 H new ATOM 1037 N THR A 69 12.559 9.569 2.475 1.00 0.00 N ATOM 1038 CA THR A 69 12.445 10.327 3.714 1.00 0.00 C ATOM 1039 C THR A 69 10.992 10.684 4.009 1.00 0.00 C ATOM 1040 O THR A 69 10.565 10.684 5.163 1.00 0.00 O ATOM 1041 CB THR A 69 13.278 11.622 3.660 1.00 0.00 C ATOM 1042 OG1 THR A 69 13.529 12.099 4.987 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.560 12.695 2.857 1.00 0.00 C ATOM 0 H THR A 69 13.105 10.030 1.747 1.00 0.00 H new ATOM 0 HA THR A 69 12.829 9.689 4.510 1.00 0.00 H new ATOM 0 HB THR A 69 14.225 11.398 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.060 12.921 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.168 13.600 2.833 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.398 12.340 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.599 12.916 3.322 1.00 0.00 H new ATOM 1051 N SER A 70 10.237 10.987 2.958 1.00 0.00 N ATOM 1052 CA SER A 70 8.832 11.348 3.104 1.00 0.00 C ATOM 1053 C SER A 70 7.927 10.220 2.618 1.00 0.00 C ATOM 1054 O SER A 70 8.359 9.339 1.874 1.00 0.00 O ATOM 1055 CB SER A 70 8.530 12.631 2.327 1.00 0.00 C ATOM 1056 OG SER A 70 7.371 13.272 2.831 1.00 0.00 O ATOM 0 H SER A 70 10.575 10.990 1.996 1.00 0.00 H new ATOM 0 HA SER A 70 8.634 11.518 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.381 13.308 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.390 12.396 1.272 1.00 0.00 H new ATOM 0 HG SER A 70 7.201 14.090 2.319 1.00 0.00 H new ATOM 1062 N LEU A 71 6.669 10.254 3.044 1.00 0.00 N ATOM 1063 CA LEU A 71 5.701 9.236 2.652 1.00 0.00 C ATOM 1064 C LEU A 71 5.246 9.442 1.211 1.00 0.00 C ATOM 1065 O LEU A 71 4.846 8.495 0.533 1.00 0.00 O ATOM 1066 CB LEU A 71 4.493 9.265 3.590 1.00 0.00 C ATOM 1067 CG LEU A 71 4.705 8.659 4.978 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.659 9.177 5.952 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.665 7.139 4.908 1.00 0.00 C ATOM 0 H LEU A 71 6.296 10.975 3.661 1.00 0.00 H new ATOM 0 HA LEU A 71 6.186 8.262 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.178 10.301 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.671 8.737 3.107 1.00 0.00 H new ATOM 0 HG LEU A 71 5.688 8.961 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.826 8.735 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.735 10.262 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.665 8.906 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.818 6.725 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.696 6.818 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.453 6.785 4.243 1.00 0.00 H new ATOM 1081 N THR A 72 5.312 10.686 0.748 1.00 0.00 N ATOM 1082 CA THR A 72 4.907 11.017 -0.613 1.00 0.00 C ATOM 1083 C THR A 72 6.049 10.786 -1.597 1.00 0.00 C ATOM 1084 O THR A 72 5.862 10.878 -2.810 1.00 0.00 O ATOM 1085 CB THR A 72 4.441 12.481 -0.720 1.00 0.00 C ATOM 1086 OG1 THR A 72 4.086 12.784 -2.074 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.531 13.432 -0.251 1.00 0.00 C ATOM 0 H THR A 72 5.642 11.481 1.295 1.00 0.00 H new ATOM 0 HA THR A 72 4.075 10.359 -0.864 1.00 0.00 H new ATOM 0 HB THR A 72 3.569 12.609 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.612 12.225 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.178 14.460 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.778 13.218 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.419 13.301 -0.869 1.00 0.00 H new ATOM 1095 N GLN A 73 7.230 10.486 -1.067 1.00 0.00 N ATOM 1096 CA GLN A 73 8.401 10.242 -1.900 1.00 0.00 C ATOM 1097 C GLN A 73 8.240 8.955 -2.702 1.00 0.00 C ATOM 1098 O GLN A 73 8.374 8.953 -3.926 1.00 0.00 O ATOM 1099 CB GLN A 73 9.661 10.164 -1.035 1.00 0.00 C ATOM 1100 CG GLN A 73 10.344 11.507 -0.833 1.00 0.00 C ATOM 1101 CD GLN A 73 11.842 11.377 -0.640 1.00 0.00 C ATOM 1102 OE1 GLN A 73 12.305 10.787 0.336 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.609 11.929 -1.573 1.00 0.00 N ATOM 0 H GLN A 73 7.401 10.406 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 73 8.499 11.073 -2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.398 9.749 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.366 9.473 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.147 12.144 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.911 12.003 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.182 12.409 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.625 11.873 -1.497 1.00 0.00 H new ATOM 1112 N LEU A 74 7.953 7.861 -2.004 1.00 0.00 N ATOM 1113 CA LEU A 74 7.773 6.566 -2.651 1.00 0.00 C ATOM 1114 C LEU A 74 6.733 6.652 -3.764 1.00 0.00 C ATOM 1115 O LEU A 74 6.241 7.734 -4.087 1.00 0.00 O ATOM 1116 CB LEU A 74 7.352 5.515 -1.624 1.00 0.00 C ATOM 1117 CG LEU A 74 6.186 5.898 -0.711 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.910 6.072 -1.519 1.00 0.00 C ATOM 1119 CD2 LEU A 74 5.993 4.850 0.376 1.00 0.00 C ATOM 0 H LEU A 74 7.840 7.845 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 74 8.726 6.273 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.086 4.602 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.214 5.280 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 74 6.421 6.849 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.092 6.344 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.053 6.859 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.670 5.137 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.159 5.139 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.780 3.885 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.901 4.775 0.974 1.00 0.00 H new ATOM 1131 N THR A 75 6.400 5.505 -4.346 1.00 0.00 N ATOM 1132 CA THR A 75 5.418 5.450 -5.421 1.00 0.00 C ATOM 1133 C THR A 75 3.998 5.419 -4.868 1.00 0.00 C ATOM 1134 O THR A 75 3.680 4.612 -3.994 1.00 0.00 O ATOM 1135 CB THR A 75 5.635 4.216 -6.318 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.917 4.290 -6.951 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.546 4.117 -7.375 1.00 0.00 C ATOM 0 H THR A 75 6.796 4.601 -4.091 1.00 0.00 H new ATOM 0 HA THR A 75 5.553 6.352 -6.018 1.00 0.00 H new ATOM 0 HB THR A 75 5.591 3.326 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.048 3.501 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.720 3.238 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.574 4.031 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.562 5.011 -7.999 1.00 0.00 H new ATOM 1145 N ASP A 76 3.148 6.300 -5.382 1.00 0.00 N ATOM 1146 CA ASP A 76 1.761 6.373 -4.940 1.00 0.00 C ATOM 1147 C ASP A 76 0.924 5.277 -5.594 1.00 0.00 C ATOM 1148 O ASP A 76 1.207 4.851 -6.713 1.00 0.00 O ATOM 1149 CB ASP A 76 1.170 7.745 -5.267 1.00 0.00 C ATOM 1150 CG ASP A 76 2.028 8.883 -4.748 1.00 0.00 C ATOM 1151 OD1 ASP A 76 3.259 8.835 -4.948 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.468 9.820 -4.142 1.00 0.00 O ATOM 0 H ASP A 76 3.395 6.974 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 76 1.742 6.226 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.058 7.841 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.172 7.820 -4.835 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.106 4.824 -4.887 1.00 0.00 N ATOM 1158 CA ASN A 77 -0.982 3.776 -5.397 1.00 0.00 C ATOM 1159 C ASN A 77 -2.437 4.234 -5.393 1.00 0.00 C ATOM 1160 O ASN A 77 -3.266 3.700 -4.655 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.834 2.505 -4.560 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.212 1.256 -5.332 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -0.701 1.009 -6.424 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -2.112 0.460 -4.766 1.00 0.00 N ATOM 0 H ASN A 77 -0.354 5.166 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.689 3.561 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.197 2.418 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.461 2.583 -3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.405 -0.395 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.510 0.704 -3.859 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.742 5.226 -6.223 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.097 5.757 -6.316 1.00 0.00 C ATOM 1173 C LEU A 78 -4.960 4.889 -7.227 1.00 0.00 C ATOM 1174 O LEU A 78 -5.997 5.330 -7.724 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.069 7.194 -6.840 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.248 7.430 -8.108 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.819 7.813 -7.756 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.268 6.193 -8.994 1.00 0.00 C ATOM 0 H LEU A 78 -2.069 5.679 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.533 5.750 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.095 7.510 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.678 7.839 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.697 8.255 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.250 7.977 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.823 8.727 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.358 7.010 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.679 6.379 -9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.844 5.349 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.296 5.964 -9.276 1.00 0.00 H new ATOM 1190 N THR A 79 -4.526 3.650 -7.441 1.00 0.00 N ATOM 1191 CA THR A 79 -5.259 2.720 -8.290 1.00 0.00 C ATOM 1192 C THR A 79 -6.354 2.006 -7.507 1.00 0.00 C ATOM 1193 O THR A 79 -7.424 1.713 -8.042 1.00 0.00 O ATOM 1194 CB THR A 79 -4.320 1.669 -8.912 1.00 0.00 C ATOM 1195 OG1 THR A 79 -5.071 0.764 -9.730 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.586 0.891 -7.830 1.00 0.00 C ATOM 0 H THR A 79 -3.670 3.268 -7.038 1.00 0.00 H new ATOM 0 HA THR A 79 -5.712 3.310 -9.087 1.00 0.00 H new ATOM 0 HB THR A 79 -3.585 2.189 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.467 0.100 -10.123 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.929 0.155 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.993 1.578 -7.227 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.310 0.382 -7.194 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.082 1.729 -6.236 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.046 1.051 -5.377 1.00 0.00 C ATOM 1206 C VAL A 80 -8.243 1.947 -5.080 1.00 0.00 C ATOM 1207 O VAL A 80 -9.374 1.472 -4.965 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.403 0.614 -4.048 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.381 -0.488 -4.285 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.764 1.804 -3.349 1.00 0.00 C ATOM 0 H VAL A 80 -5.201 1.964 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.384 0.166 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.184 0.218 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.937 -0.783 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.872 -1.348 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.600 -0.123 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.314 1.477 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.994 2.232 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.525 2.557 -3.143 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.987 3.244 -4.958 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.045 4.209 -4.674 1.00 0.00 C ATOM 1222 C LEU A 81 -9.959 4.385 -5.882 1.00 0.00 C ATOM 1223 O LEU A 81 -11.174 4.525 -5.740 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.439 5.557 -4.278 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.354 5.514 -3.201 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.374 6.662 -3.387 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -7.977 5.561 -1.814 1.00 0.00 C ATOM 0 H LEU A 81 -7.057 3.653 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.639 3.827 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.019 6.020 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.243 6.206 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.807 4.576 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.609 6.616 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.903 6.583 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.907 7.610 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.190 5.529 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.549 6.482 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.639 4.705 -1.683 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.367 4.375 -7.072 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.128 4.530 -8.307 1.00 0.00 C ATOM 1241 C LYS A 82 -11.506 3.889 -8.181 1.00 0.00 C ATOM 1242 O LYS A 82 -11.622 2.692 -7.920 1.00 0.00 O ATOM 1243 CB LYS A 82 -9.368 3.906 -9.479 1.00 0.00 C ATOM 1244 CG LYS A 82 -9.647 4.579 -10.812 1.00 0.00 C ATOM 1245 CD LYS A 82 -10.899 4.020 -11.468 1.00 0.00 C ATOM 1246 CE LYS A 82 -11.252 4.783 -12.735 1.00 0.00 C ATOM 1247 NZ LYS A 82 -12.352 4.123 -13.491 1.00 0.00 N ATOM 0 H LYS A 82 -8.362 4.261 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.259 5.596 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.298 3.954 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.632 2.851 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.762 5.652 -10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.794 4.440 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.747 2.967 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.732 4.071 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.548 5.800 -12.476 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.370 4.860 -13.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.563 4.673 -14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.060 3.162 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.202 4.072 -12.894 1.00 0.00 H new ATOM 1261 N SER A 83 -12.547 4.693 -8.370 1.00 0.00 N ATOM 1262 CA SER A 83 -13.918 4.204 -8.275 1.00 0.00 C ATOM 1263 C SER A 83 -14.885 5.162 -8.962 1.00 0.00 C ATOM 1264 O SER A 83 -14.830 6.373 -8.753 1.00 0.00 O ATOM 1265 CB SER A 83 -14.317 4.021 -6.810 1.00 0.00 C ATOM 1266 OG SER A 83 -14.365 5.267 -6.136 1.00 0.00 O ATOM 0 H SER A 83 -12.468 5.686 -8.590 1.00 0.00 H new ATOM 0 HA SER A 83 -13.969 3.240 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.291 3.535 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.603 3.363 -6.315 1.00 0.00 H new ATOM 0 HG SER A 83 -14.624 5.124 -5.202 1.00 0.00 H new ATOM 1272 N GLY A 84 -15.773 4.610 -9.784 1.00 0.00 N ATOM 1273 CA GLY A 84 -16.740 5.429 -10.490 1.00 0.00 C ATOM 1274 C GLY A 84 -17.317 4.728 -11.705 1.00 0.00 C ATOM 1275 O GLY A 84 -17.131 3.527 -11.902 1.00 0.00 O ATOM 0 H GLY A 84 -15.839 3.610 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.549 5.697 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.265 6.359 -10.802 1.00 0.00 H new ATOM 1279 N PRO A 85 -18.037 5.487 -12.544 1.00 0.00 N ATOM 1280 CA PRO A 85 -18.659 4.953 -13.759 1.00 0.00 C ATOM 1281 C PRO A 85 -17.630 4.582 -14.822 1.00 0.00 C ATOM 1282 O PRO A 85 -16.535 5.143 -14.861 1.00 0.00 O ATOM 1283 CB PRO A 85 -19.538 6.107 -14.246 1.00 0.00 C ATOM 1284 CG PRO A 85 -18.896 7.332 -13.691 1.00 0.00 C ATOM 1285 CD PRO A 85 -18.300 6.926 -12.371 1.00 0.00 C ATOM 0 HA PRO A 85 -19.210 4.033 -13.563 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.580 6.141 -15.335 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -20.563 6.001 -13.891 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.128 7.710 -14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -19.627 8.130 -13.560 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.385 7.479 -12.156 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -18.987 7.113 -11.545 1.00 0.00 H new ATOM 1293 N SER A 86 -17.989 3.635 -15.682 1.00 0.00 N ATOM 1294 CA SER A 86 -17.095 3.187 -16.743 1.00 0.00 C ATOM 1295 C SER A 86 -16.304 4.358 -17.318 1.00 0.00 C ATOM 1296 O SER A 86 -15.073 4.341 -17.337 1.00 0.00 O ATOM 1297 CB SER A 86 -17.892 2.501 -17.855 1.00 0.00 C ATOM 1298 OG SER A 86 -18.977 3.309 -18.278 1.00 0.00 O ATOM 0 H SER A 86 -18.893 3.163 -15.665 1.00 0.00 H new ATOM 0 HA SER A 86 -16.393 2.472 -16.314 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.237 2.294 -18.701 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.266 1.541 -17.499 1.00 0.00 H new ATOM 0 HG SER A 86 -19.469 2.849 -18.990 1.00 0.00 H new ATOM 1304 N SER A 87 -17.021 5.376 -17.785 1.00 0.00 N ATOM 1305 CA SER A 87 -16.388 6.555 -18.364 1.00 0.00 C ATOM 1306 C SER A 87 -16.787 7.815 -17.601 1.00 0.00 C ATOM 1307 O SER A 87 -17.932 7.961 -17.178 1.00 0.00 O ATOM 1308 CB SER A 87 -16.771 6.694 -19.838 1.00 0.00 C ATOM 1309 OG SER A 87 -16.180 7.847 -20.412 1.00 0.00 O ATOM 0 H SER A 87 -18.040 5.408 -17.773 1.00 0.00 H new ATOM 0 HA SER A 87 -15.308 6.432 -18.288 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.452 5.807 -20.385 1.00 0.00 H new ATOM 0 HB3 SER A 87 -17.855 6.753 -19.931 1.00 0.00 H new ATOM 0 HG SER A 87 -16.439 7.912 -21.355 1.00 0.00 H new ATOM 1315 N GLY A 88 -15.831 8.723 -17.431 1.00 0.00 N ATOM 1316 CA GLY A 88 -16.101 9.959 -16.720 1.00 0.00 C ATOM 1317 C GLY A 88 -14.964 10.359 -15.800 1.00 0.00 C ATOM 1318 O GLY A 88 -14.858 9.809 -14.705 1.00 0.00 O ATOM 0 H GLY A 88 -14.875 8.625 -17.773 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -16.279 10.757 -17.440 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.014 9.847 -16.136 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.934 -1.969 6.425 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.531 -5.522 -1.191 1.00 0.00 ZN