USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 455 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 8 CYS SG : rot -76:sc= -2.31! USER MOD Set 1.2: A 9 ASN : amide:sc= 1.11 K(o=-1.2,f=-2.3) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.11 F(o=-5.5!,f=-1.1) USER MOD Single : A 20 SER OG : rot 9:sc= -0.427 USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -0.351 (180deg=-1.48) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 0.194 (180deg=-0.995!) USER MOD Single : A 38 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 39 MET CE :methyl -153:sc= -0.163 (180deg=-0.808) USER MOD Single : A 46 THR OG1 : rot -85:sc= 0.918 USER MOD Single : A 48 SER OG : rot -154:sc= 1.18 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -130:sc= 0.78 USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.0498 (180deg=-0.294) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 1.1 (180deg=0.956) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.415 -13.568 -1.713 1.00 0.00 N ATOM 51 CA GLU A 4 -7.716 -12.544 -0.731 1.00 0.00 C ATOM 52 C GLU A 4 -6.446 -11.865 -0.255 1.00 0.00 C ATOM 53 O GLU A 4 -5.681 -12.412 0.541 1.00 0.00 O ATOM 54 CB GLU A 4 -8.479 -13.124 0.450 1.00 0.00 C ATOM 55 CG GLU A 4 -9.891 -13.541 0.103 1.00 0.00 C ATOM 56 CD GLU A 4 -10.532 -14.365 1.195 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.546 -13.909 2.358 1.00 0.00 O ATOM 58 OE2 GLU A 4 -11.019 -15.475 0.906 1.00 0.00 O ATOM 0 HA GLU A 4 -8.349 -11.799 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.937 -13.988 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.512 -12.385 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.495 -12.652 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.880 -14.115 -0.823 1.00 0.00 H new ATOM 65 N VAL A 5 -6.226 -10.676 -0.769 1.00 0.00 N ATOM 66 CA VAL A 5 -5.065 -9.890 -0.403 1.00 0.00 C ATOM 67 C VAL A 5 -5.407 -8.981 0.771 1.00 0.00 C ATOM 68 O VAL A 5 -6.420 -8.283 0.746 1.00 0.00 O ATOM 69 CB VAL A 5 -4.571 -9.028 -1.582 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.157 -8.541 -1.320 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.647 -9.796 -2.896 1.00 0.00 C ATOM 0 H VAL A 5 -6.841 -10.227 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.270 -10.582 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.226 -8.161 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.820 -7.934 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.141 -7.942 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.493 -9.397 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.292 -9.162 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.024 -10.688 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.680 -10.088 -3.088 1.00 0.00 H new ATOM 81 N ARG A 6 -4.575 -9.003 1.802 1.00 0.00 N ATOM 82 CA ARG A 6 -4.810 -8.183 2.986 1.00 0.00 C ATOM 83 C ARG A 6 -3.519 -7.486 3.397 1.00 0.00 C ATOM 84 O ARG A 6 -2.458 -7.779 2.853 1.00 0.00 O ATOM 85 CB ARG A 6 -5.329 -9.027 4.162 1.00 0.00 C ATOM 86 CG ARG A 6 -6.435 -10.009 3.807 1.00 0.00 C ATOM 87 CD ARG A 6 -5.898 -11.430 3.711 1.00 0.00 C ATOM 88 NE ARG A 6 -6.964 -12.418 3.554 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.751 -13.721 3.361 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.515 -14.199 3.332 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.778 -14.546 3.202 1.00 0.00 N ATOM 0 H ARG A 6 -3.733 -9.577 1.845 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.570 -7.443 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.493 -9.582 4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.695 -8.355 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.221 -9.964 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.888 -9.723 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.213 -11.501 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.322 -11.660 4.608 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.929 -12.091 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.722 -13.570 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.357 -15.196 3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.731 -14.184 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.614 -15.542 3.055 1.00 0.00 H new ATOM 105 N ASP A 7 -3.611 -6.564 4.346 1.00 0.00 N ATOM 106 CA ASP A 7 -2.427 -5.890 4.879 1.00 0.00 C ATOM 107 C ASP A 7 -1.739 -6.786 5.905 1.00 0.00 C ATOM 108 O ASP A 7 -2.093 -7.960 6.051 1.00 0.00 O ATOM 109 CB ASP A 7 -2.814 -4.551 5.524 1.00 0.00 C ATOM 110 CG ASP A 7 -3.279 -4.684 6.962 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.360 -5.252 7.199 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.556 -4.215 7.865 1.00 0.00 O ATOM 0 H ASP A 7 -4.491 -6.263 4.765 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.738 -5.691 4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.957 -3.878 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.607 -4.089 4.935 1.00 0.00 H new ATOM 117 N CYS A 8 -0.775 -6.229 6.626 1.00 0.00 N ATOM 118 CA CYS A 8 -0.019 -6.991 7.609 1.00 0.00 C ATOM 119 C CYS A 8 -0.907 -7.428 8.776 1.00 0.00 C ATOM 120 O CYS A 8 -0.652 -8.452 9.412 1.00 0.00 O ATOM 121 CB CYS A 8 1.162 -6.162 8.117 1.00 0.00 C ATOM 122 SG CYS A 8 0.709 -4.495 8.649 1.00 0.00 S ATOM 0 H CYS A 8 -0.498 -5.250 6.548 1.00 0.00 H new ATOM 0 HA CYS A 8 0.359 -7.891 7.125 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.629 -6.685 8.952 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.910 -6.090 7.327 1.00 0.00 H new ATOM 0 HG CYS A 8 0.516 -3.744 7.606 1.00 0.00 H new ATOM 128 N ASN A 9 -1.952 -6.652 9.044 1.00 0.00 N ATOM 129 CA ASN A 9 -2.874 -6.950 10.120 1.00 0.00 C ATOM 130 C ASN A 9 -3.907 -7.971 9.673 1.00 0.00 C ATOM 131 O ASN A 9 -4.122 -8.986 10.339 1.00 0.00 O ATOM 132 CB ASN A 9 -3.561 -5.668 10.580 1.00 0.00 C ATOM 133 CG ASN A 9 -2.618 -4.727 11.304 1.00 0.00 C ATOM 134 OD1 ASN A 9 -2.506 -4.756 12.531 1.00 0.00 O ATOM 135 ND2 ASN A 9 -1.931 -3.888 10.549 1.00 0.00 N ATOM 0 H ASN A 9 -2.178 -5.805 8.522 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.315 -7.374 10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.985 -5.157 9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.391 -5.922 11.239 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.279 -3.232 10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.053 -3.896 9.536 1.00 0.00 H new ATOM 142 N GLY A 10 -4.538 -7.706 8.544 1.00 0.00 N ATOM 143 CA GLY A 10 -5.532 -8.623 8.031 1.00 0.00 C ATOM 144 C GLY A 10 -6.744 -7.916 7.464 1.00 0.00 C ATOM 145 O GLY A 10 -7.849 -8.461 7.471 1.00 0.00 O ATOM 0 H GLY A 10 -4.382 -6.875 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.082 -9.243 7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.849 -9.293 8.830 1.00 0.00 H new ATOM 149 N ALA A 11 -6.552 -6.695 6.998 1.00 0.00 N ATOM 150 CA ALA A 11 -7.616 -5.961 6.341 1.00 0.00 C ATOM 151 C ALA A 11 -7.497 -6.109 4.831 1.00 0.00 C ATOM 152 O ALA A 11 -6.450 -5.820 4.251 1.00 0.00 O ATOM 153 CB ALA A 11 -7.587 -4.498 6.747 1.00 0.00 C ATOM 0 H ALA A 11 -5.668 -6.191 7.063 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.574 -6.376 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.393 -3.965 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.717 -4.417 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.630 -4.061 6.463 1.00 0.00 H new ATOM 159 N LEU A 12 -8.565 -6.590 4.211 1.00 0.00 N ATOM 160 CA LEU A 12 -8.586 -6.863 2.778 1.00 0.00 C ATOM 161 C LEU A 12 -8.325 -5.615 1.938 1.00 0.00 C ATOM 162 O LEU A 12 -8.748 -4.506 2.282 1.00 0.00 O ATOM 163 CB LEU A 12 -9.927 -7.489 2.391 1.00 0.00 C ATOM 164 CG LEU A 12 -10.079 -8.964 2.765 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.547 -9.355 2.797 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.328 -9.834 1.772 1.00 0.00 C ATOM 0 H LEU A 12 -9.442 -6.803 4.686 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.775 -7.561 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.727 -6.923 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.063 -7.386 1.314 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.657 -9.116 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.637 -10.408 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.070 -8.747 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.989 -9.191 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.443 -10.882 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.731 -9.675 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.271 -9.569 1.783 1.00 0.00 H new ATOM 178 N LEU A 13 -7.618 -5.821 0.839 1.00 0.00 N ATOM 179 CA LEU A 13 -7.303 -4.760 -0.103 1.00 0.00 C ATOM 180 C LEU A 13 -8.050 -4.981 -1.410 1.00 0.00 C ATOM 181 O LEU A 13 -8.647 -6.038 -1.619 1.00 0.00 O ATOM 182 CB LEU A 13 -5.798 -4.729 -0.372 1.00 0.00 C ATOM 183 CG LEU A 13 -4.931 -4.384 0.836 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.459 -4.559 0.502 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.208 -2.962 1.293 1.00 0.00 C ATOM 0 H LEU A 13 -7.245 -6.733 0.574 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.611 -3.807 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.493 -5.704 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.601 -4.003 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.181 -5.065 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.856 -4.309 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.271 -5.594 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.193 -3.900 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.583 -2.729 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.982 -2.269 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.258 -2.867 1.569 1.00 0.00 H new ATOM 197 N ALA A 14 -8.002 -3.991 -2.289 1.00 0.00 N ATOM 198 CA ALA A 14 -8.667 -4.084 -3.579 1.00 0.00 C ATOM 199 C ALA A 14 -8.117 -3.043 -4.541 1.00 0.00 C ATOM 200 O ALA A 14 -7.242 -2.259 -4.178 1.00 0.00 O ATOM 201 CB ALA A 14 -10.172 -3.916 -3.417 1.00 0.00 C ATOM 0 H ALA A 14 -7.508 -3.113 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.472 -5.073 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.653 -3.988 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.557 -4.699 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.384 -2.941 -2.979 1.00 0.00 H new ATOM 207 N ASP A 15 -8.618 -3.050 -5.768 1.00 0.00 N ATOM 208 CA ASP A 15 -8.217 -2.060 -6.766 1.00 0.00 C ATOM 209 C ASP A 15 -8.608 -0.653 -6.326 1.00 0.00 C ATOM 210 O ASP A 15 -9.780 -0.372 -6.063 1.00 0.00 O ATOM 211 CB ASP A 15 -8.849 -2.376 -8.125 1.00 0.00 C ATOM 212 CG ASP A 15 -8.580 -1.292 -9.155 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.431 -0.811 -9.234 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.517 -0.919 -9.897 1.00 0.00 O ATOM 0 H ASP A 15 -9.303 -3.729 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.132 -2.105 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.460 -3.326 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.925 -2.498 -8.003 1.00 0.00 H new ATOM 219 N GLY A 16 -7.614 0.216 -6.230 1.00 0.00 N ATOM 220 CA GLY A 16 -7.850 1.594 -5.852 1.00 0.00 C ATOM 221 C GLY A 16 -7.694 1.818 -4.362 1.00 0.00 C ATOM 222 O GLY A 16 -7.920 2.925 -3.869 1.00 0.00 O ATOM 0 H GLY A 16 -6.636 -0.012 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.155 2.239 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.855 1.885 -6.157 1.00 0.00 H new ATOM 226 N ASP A 17 -7.290 0.777 -3.645 1.00 0.00 N ATOM 227 CA ASP A 17 -7.193 0.843 -2.190 1.00 0.00 C ATOM 228 C ASP A 17 -5.924 1.575 -1.767 1.00 0.00 C ATOM 229 O ASP A 17 -5.086 1.915 -2.603 1.00 0.00 O ATOM 230 CB ASP A 17 -7.207 -0.562 -1.594 1.00 0.00 C ATOM 231 CG ASP A 17 -7.931 -0.615 -0.265 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.300 -0.358 0.780 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.140 -0.919 -0.261 1.00 0.00 O ATOM 0 H ASP A 17 -7.024 -0.123 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.054 1.396 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.686 -1.246 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.182 -0.908 -1.461 1.00 0.00 H new ATOM 238 N ASN A 18 -5.783 1.830 -0.473 1.00 0.00 N ATOM 239 CA ASN A 18 -4.630 2.567 0.039 1.00 0.00 C ATOM 240 C ASN A 18 -3.917 1.763 1.105 1.00 0.00 C ATOM 241 O ASN A 18 -4.542 1.061 1.901 1.00 0.00 O ATOM 242 CB ASN A 18 -5.021 3.905 0.674 1.00 0.00 C ATOM 243 CG ASN A 18 -5.564 4.958 -0.286 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.099 4.540 -1.416 1.00 0.00 O flip ATOM 245 ND2 ASN A 18 -5.481 6.153 -0.009 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.450 1.539 0.242 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.987 2.749 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.773 3.717 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.147 4.316 1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.061 6.444 0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.832 6.853 -0.662 1.00 0.00 H new ATOM 252 N VAL A 19 -2.615 1.921 1.146 1.00 0.00 N ATOM 253 CA VAL A 19 -1.778 1.276 2.147 1.00 0.00 C ATOM 254 C VAL A 19 -0.664 2.223 2.565 1.00 0.00 C ATOM 255 O VAL A 19 -0.487 3.284 1.968 1.00 0.00 O ATOM 256 CB VAL A 19 -1.158 -0.052 1.650 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.237 -1.087 1.372 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.304 0.174 0.414 1.00 0.00 C ATOM 0 H VAL A 19 -2.098 2.502 0.486 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.422 1.036 2.993 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.515 -0.435 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.774 -2.011 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.797 -1.284 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.914 -0.710 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.120 -0.775 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.920 0.591 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.502 0.868 0.651 1.00 0.00 H new ATOM 268 N SER A 20 0.068 1.858 3.599 1.00 0.00 N ATOM 269 CA SER A 20 1.175 2.670 4.072 1.00 0.00 C ATOM 270 C SER A 20 2.222 1.802 4.773 1.00 0.00 C ATOM 271 O SER A 20 1.929 0.690 5.205 1.00 0.00 O ATOM 272 CB SER A 20 0.655 3.770 5.006 1.00 0.00 C ATOM 273 OG SER A 20 -0.195 4.671 4.316 1.00 0.00 O ATOM 0 H SER A 20 -0.084 1.001 4.131 1.00 0.00 H new ATOM 0 HA SER A 20 1.657 3.143 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.113 3.319 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.496 4.315 5.433 1.00 0.00 H new ATOM 0 HG SER A 20 -0.387 4.320 3.422 1.00 0.00 H new ATOM 279 N LEU A 21 3.442 2.315 4.856 1.00 0.00 N ATOM 280 CA LEU A 21 4.570 1.595 5.447 1.00 0.00 C ATOM 281 C LEU A 21 4.387 1.404 6.953 1.00 0.00 C ATOM 282 O LEU A 21 4.002 2.342 7.659 1.00 0.00 O ATOM 283 CB LEU A 21 5.870 2.367 5.179 1.00 0.00 C ATOM 284 CG LEU A 21 6.549 2.115 3.822 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.224 0.761 3.822 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.556 2.205 2.672 1.00 0.00 C ATOM 0 H LEU A 21 3.682 3.246 4.515 1.00 0.00 H new ATOM 0 HA LEU A 21 4.620 0.608 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.657 3.433 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.581 2.122 5.968 1.00 0.00 H new ATOM 0 HG LEU A 21 7.299 2.893 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.702 0.593 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.977 0.730 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.481 -0.016 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.073 2.021 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.773 1.459 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.110 3.199 2.653 1.00 0.00 H new ATOM 298 N ILE A 22 4.664 0.191 7.443 1.00 0.00 N ATOM 299 CA ILE A 22 4.565 -0.096 8.878 1.00 0.00 C ATOM 300 C ILE A 22 5.929 0.021 9.550 1.00 0.00 C ATOM 301 O ILE A 22 6.040 0.011 10.774 1.00 0.00 O ATOM 302 CB ILE A 22 4.002 -1.506 9.152 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.962 -2.584 8.638 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.633 -1.657 8.511 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.528 -3.997 8.965 1.00 0.00 C ATOM 0 H ILE A 22 4.956 -0.602 6.872 1.00 0.00 H new ATOM 0 HA ILE A 22 3.878 0.642 9.292 1.00 0.00 H new ATOM 0 HB ILE A 22 3.898 -1.634 10.229 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.059 -2.485 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.950 -2.410 9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.246 -2.656 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.953 -0.914 8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.717 -1.509 7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.258 -4.703 8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.459 -4.115 10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.554 -4.192 8.516 1.00 0.00 H new ATOM 317 N LYS A 23 6.960 0.123 8.730 1.00 0.00 N ATOM 318 CA LYS A 23 8.329 0.259 9.201 1.00 0.00 C ATOM 319 C LYS A 23 9.162 0.931 8.123 1.00 0.00 C ATOM 320 O LYS A 23 8.662 1.184 7.026 1.00 0.00 O ATOM 321 CB LYS A 23 8.937 -1.104 9.573 1.00 0.00 C ATOM 322 CG LYS A 23 8.548 -2.237 8.636 1.00 0.00 C ATOM 323 CD LYS A 23 9.663 -3.270 8.464 1.00 0.00 C ATOM 324 CE LYS A 23 9.924 -4.098 9.721 1.00 0.00 C ATOM 325 NZ LYS A 23 10.647 -3.338 10.776 1.00 0.00 N ATOM 0 H LYS A 23 6.872 0.114 7.714 1.00 0.00 H new ATOM 0 HA LYS A 23 8.326 0.871 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.023 -1.014 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.628 -1.363 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.656 -2.732 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.288 -1.824 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.404 -3.940 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.582 -2.758 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.973 -4.451 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.505 -4.981 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.227 -3.992 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.261 -2.626 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.959 -2.864 11.396 1.00 0.00 H new ATOM 339 N ASP A 24 10.415 1.229 8.429 1.00 0.00 N ATOM 340 CA ASP A 24 11.295 1.867 7.460 1.00 0.00 C ATOM 341 C ASP A 24 11.963 0.806 6.592 1.00 0.00 C ATOM 342 O ASP A 24 12.840 0.073 7.055 1.00 0.00 O ATOM 343 CB ASP A 24 12.362 2.718 8.162 1.00 0.00 C ATOM 344 CG ASP A 24 11.827 3.486 9.356 1.00 0.00 C ATOM 345 OD1 ASP A 24 10.938 4.340 9.174 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.297 3.241 10.489 1.00 0.00 O ATOM 0 H ASP A 24 10.844 1.041 9.335 1.00 0.00 H new ATOM 0 HA ASP A 24 10.695 2.525 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.175 2.071 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.784 3.422 7.445 1.00 0.00 H new ATOM 351 N LEU A 25 11.539 0.716 5.340 1.00 0.00 N ATOM 352 CA LEU A 25 12.054 -0.301 4.430 1.00 0.00 C ATOM 353 C LEU A 25 13.088 0.279 3.490 1.00 0.00 C ATOM 354 O LEU A 25 12.790 1.140 2.668 1.00 0.00 O ATOM 355 CB LEU A 25 10.931 -0.944 3.602 1.00 0.00 C ATOM 356 CG LEU A 25 10.142 -2.072 4.278 1.00 0.00 C ATOM 357 CD1 LEU A 25 11.063 -3.194 4.724 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.340 -1.550 5.452 1.00 0.00 C ATOM 0 H LEU A 25 10.839 1.334 4.929 1.00 0.00 H new ATOM 0 HA LEU A 25 12.518 -1.067 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.229 -0.162 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.366 -1.336 2.683 1.00 0.00 H new ATOM 0 HG LEU A 25 9.447 -2.473 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.476 -3.979 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.583 -3.604 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.792 -2.805 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.791 -2.372 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.014 -1.109 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.637 -0.793 5.104 1.00 0.00 H new ATOM 511 N LYS A 35 10.590 5.279 4.581 1.00 0.00 N ATOM 512 CA LYS A 35 10.329 5.447 6.002 1.00 0.00 C ATOM 513 C LYS A 35 8.931 4.988 6.377 1.00 0.00 C ATOM 514 O LYS A 35 8.050 4.849 5.527 1.00 0.00 O ATOM 515 CB LYS A 35 10.520 6.909 6.406 1.00 0.00 C ATOM 516 CG LYS A 35 11.975 7.301 6.613 1.00 0.00 C ATOM 517 CD LYS A 35 12.530 6.720 7.901 1.00 0.00 C ATOM 518 CE LYS A 35 11.774 7.227 9.121 1.00 0.00 C ATOM 519 NZ LYS A 35 12.192 6.523 10.361 1.00 0.00 N ATOM 0 HA LYS A 35 11.042 4.824 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.086 7.549 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.968 7.098 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.570 6.952 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.060 8.387 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.472 5.632 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.584 6.980 7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.945 8.297 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.704 7.090 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.136 7.177 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.563 5.712 10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.170 6.186 10.256 1.00 0.00 H new ATOM 533 N ARG A 36 8.750 4.746 7.661 1.00 0.00 N ATOM 534 CA ARG A 36 7.458 4.388 8.214 1.00 0.00 C ATOM 535 C ARG A 36 6.457 5.513 7.986 1.00 0.00 C ATOM 536 O ARG A 36 6.800 6.691 8.098 1.00 0.00 O ATOM 537 CB ARG A 36 7.606 4.108 9.709 1.00 0.00 C ATOM 538 CG ARG A 36 6.361 3.538 10.362 1.00 0.00 C ATOM 539 CD ARG A 36 6.638 3.150 11.800 1.00 0.00 C ATOM 540 NE ARG A 36 5.474 2.550 12.449 1.00 0.00 N ATOM 541 CZ ARG A 36 5.528 1.920 13.621 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.679 1.833 14.273 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.433 1.382 14.143 1.00 0.00 N ATOM 0 H ARG A 36 9.498 4.792 8.353 1.00 0.00 H new ATOM 0 HA ARG A 36 7.089 3.492 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.431 3.411 9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.876 5.034 10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.557 4.274 10.327 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.019 2.666 9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.470 2.447 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.947 4.033 12.359 1.00 0.00 H new ATOM 0 HE ARG A 36 4.571 2.617 11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.522 2.248 13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.721 1.351 15.171 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.545 1.450 13.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.480 0.900 15.041 1.00 0.00 H new ATOM 557 N GLY A 37 5.231 5.150 7.642 1.00 0.00 N ATOM 558 CA GLY A 37 4.201 6.147 7.436 1.00 0.00 C ATOM 559 C GLY A 37 4.040 6.538 5.981 1.00 0.00 C ATOM 560 O GLY A 37 3.096 7.248 5.634 1.00 0.00 O ATOM 0 H GLY A 37 4.931 4.185 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.252 5.764 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.440 7.035 8.021 1.00 0.00 H new ATOM 564 N THR A 38 4.965 6.090 5.133 1.00 0.00 N ATOM 565 CA THR A 38 4.883 6.356 3.699 1.00 0.00 C ATOM 566 C THR A 38 3.578 5.812 3.136 1.00 0.00 C ATOM 567 O THR A 38 3.300 4.617 3.242 1.00 0.00 O ATOM 568 CB THR A 38 6.064 5.725 2.936 1.00 0.00 C ATOM 569 OG1 THR A 38 7.300 6.217 3.465 1.00 0.00 O ATOM 570 CG2 THR A 38 5.990 6.043 1.448 1.00 0.00 C ATOM 0 H THR A 38 5.778 5.542 5.414 1.00 0.00 H new ATOM 0 HA THR A 38 4.923 7.437 3.566 1.00 0.00 H new ATOM 0 HB THR A 38 6.010 4.644 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.703 5.535 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.836 5.585 0.936 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.060 5.649 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.021 7.123 1.305 1.00 0.00 H new ATOM 578 N MET A 39 2.783 6.687 2.548 1.00 0.00 N ATOM 579 CA MET A 39 1.484 6.300 2.038 1.00 0.00 C ATOM 580 C MET A 39 1.558 5.893 0.576 1.00 0.00 C ATOM 581 O MET A 39 1.897 6.694 -0.296 1.00 0.00 O ATOM 582 CB MET A 39 0.468 7.430 2.213 1.00 0.00 C ATOM 583 CG MET A 39 -0.816 7.212 1.424 1.00 0.00 C ATOM 584 SD MET A 39 -2.161 8.270 1.976 1.00 0.00 S ATOM 585 CE MET A 39 -2.463 7.562 3.591 1.00 0.00 C ATOM 0 H MET A 39 3.016 7.671 2.413 1.00 0.00 H new ATOM 0 HA MET A 39 1.155 5.437 2.617 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.224 7.529 3.271 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.923 8.370 1.901 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.624 7.398 0.367 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.120 6.169 1.514 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.502 7.732 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.266 6.490 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.806 8.032 4.323 1.00 0.00 H new ATOM 595 N ILE A 40 1.239 4.639 0.324 1.00 0.00 N ATOM 596 CA ILE A 40 1.107 4.147 -1.035 1.00 0.00 C ATOM 597 C ILE A 40 -0.373 4.008 -1.359 1.00 0.00 C ATOM 598 O ILE A 40 -1.011 3.017 -1.009 1.00 0.00 O ATOM 599 CB ILE A 40 1.822 2.794 -1.244 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.297 2.905 -0.845 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.697 2.347 -2.694 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.076 1.619 -1.027 1.00 0.00 C ATOM 0 H ILE A 40 1.066 3.939 1.045 1.00 0.00 H new ATOM 0 HA ILE A 40 1.584 4.863 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 40 1.346 2.047 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.766 3.690 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.360 3.213 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.206 1.392 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.644 2.235 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.152 3.093 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.111 1.775 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.632 0.835 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.045 1.320 -2.075 1.00 0.00 H new ATOM 614 N ARG A 41 -0.928 5.028 -1.983 1.00 0.00 N ATOM 615 CA ARG A 41 -2.355 5.063 -2.248 1.00 0.00 C ATOM 616 C ARG A 41 -2.653 4.813 -3.721 1.00 0.00 C ATOM 617 O ARG A 41 -1.995 5.360 -4.605 1.00 0.00 O ATOM 618 CB ARG A 41 -2.954 6.391 -1.759 1.00 0.00 C ATOM 619 CG ARG A 41 -2.096 7.623 -2.032 1.00 0.00 C ATOM 620 CD ARG A 41 -2.234 8.116 -3.464 1.00 0.00 C ATOM 621 NE ARG A 41 -3.548 8.705 -3.705 1.00 0.00 N ATOM 622 CZ ARG A 41 -4.429 8.247 -4.597 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.143 7.179 -5.333 1.00 0.00 N ATOM 624 NH2 ARG A 41 -5.600 8.854 -4.744 1.00 0.00 N ATOM 0 H ARG A 41 -0.414 5.844 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.830 4.255 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.926 6.531 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.130 6.320 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.381 8.421 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.051 7.387 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.460 8.855 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.075 7.286 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.811 9.522 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.247 6.705 -5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.819 6.833 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.826 9.670 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.274 8.504 -5.426 1.00 0.00 H new ATOM 638 N GLY A 42 -3.647 3.980 -3.979 1.00 0.00 N ATOM 639 CA GLY A 42 -3.961 3.602 -5.337 1.00 0.00 C ATOM 640 C GLY A 42 -3.322 2.283 -5.702 1.00 0.00 C ATOM 641 O GLY A 42 -2.669 2.163 -6.740 1.00 0.00 O ATOM 0 H GLY A 42 -4.244 3.558 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.042 3.530 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.616 4.377 -6.021 1.00 0.00 H new ATOM 645 N ILE A 43 -3.494 1.295 -4.835 1.00 0.00 N ATOM 646 CA ILE A 43 -2.924 -0.020 -5.057 1.00 0.00 C ATOM 647 C ILE A 43 -3.948 -0.920 -5.733 1.00 0.00 C ATOM 648 O ILE A 43 -5.141 -0.639 -5.707 1.00 0.00 O ATOM 649 CB ILE A 43 -2.427 -0.663 -3.732 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.591 -1.045 -2.807 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.489 0.290 -3.008 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.066 -2.477 -2.964 1.00 0.00 C ATOM 0 H ILE A 43 -4.026 1.383 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.058 0.094 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.894 -1.577 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.285 -0.887 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.428 -0.373 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.147 -0.170 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.631 0.508 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.016 1.216 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.889 -2.665 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.405 -2.638 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.245 -3.159 -2.743 1.00 0.00 H new ATOM 664 N ARG A 44 -3.479 -1.989 -6.340 1.00 0.00 N ATOM 665 CA ARG A 44 -4.356 -2.941 -6.995 1.00 0.00 C ATOM 666 C ARG A 44 -3.889 -4.360 -6.715 1.00 0.00 C ATOM 667 O ARG A 44 -2.733 -4.580 -6.343 1.00 0.00 O ATOM 668 CB ARG A 44 -4.415 -2.670 -8.503 1.00 0.00 C ATOM 669 CG ARG A 44 -3.051 -2.512 -9.156 1.00 0.00 C ATOM 670 CD ARG A 44 -3.178 -2.279 -10.653 1.00 0.00 C ATOM 671 NE ARG A 44 -1.878 -2.114 -11.300 1.00 0.00 N ATOM 672 CZ ARG A 44 -1.673 -2.233 -12.612 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.692 -2.473 -13.430 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.447 -2.104 -13.101 1.00 0.00 N ATOM 0 H ARG A 44 -2.488 -2.223 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.363 -2.825 -6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.946 -3.489 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.997 -1.765 -8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.522 -1.676 -8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.453 -3.405 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.703 -3.120 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.785 -1.391 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.076 -1.894 -10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.636 -2.567 -13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.530 -2.563 -14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.335 -1.914 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.286 -2.194 -14.104 1.00 0.00 H new ATOM 688 N LEU A 45 -4.790 -5.315 -6.886 1.00 0.00 N ATOM 689 CA LEU A 45 -4.503 -6.702 -6.551 1.00 0.00 C ATOM 690 C LEU A 45 -3.820 -7.409 -7.715 1.00 0.00 C ATOM 691 O LEU A 45 -4.198 -7.226 -8.873 1.00 0.00 O ATOM 692 CB LEU A 45 -5.793 -7.438 -6.177 1.00 0.00 C ATOM 693 CG LEU A 45 -6.609 -6.803 -5.048 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.781 -7.696 -4.673 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.739 -6.526 -3.831 1.00 0.00 C ATOM 0 H LEU A 45 -5.727 -5.155 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.828 -6.712 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.423 -7.505 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.539 -8.458 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.997 -5.850 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.351 -7.230 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.425 -7.835 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.408 -8.664 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.345 -6.075 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.312 -7.461 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.935 -5.843 -4.106 1.00 0.00 H new ATOM 707 N THR A 46 -2.817 -8.211 -7.397 1.00 0.00 N ATOM 708 CA THR A 46 -2.092 -8.970 -8.402 1.00 0.00 C ATOM 709 C THR A 46 -2.625 -10.399 -8.454 1.00 0.00 C ATOM 710 O THR A 46 -3.769 -10.652 -8.076 1.00 0.00 O ATOM 711 CB THR A 46 -0.582 -8.996 -8.089 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.351 -9.637 -6.825 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.006 -7.587 -8.062 1.00 0.00 C ATOM 0 H THR A 46 -2.485 -8.353 -6.443 1.00 0.00 H new ATOM 0 HA THR A 46 -2.239 -8.486 -9.368 1.00 0.00 H new ATOM 0 HB THR A 46 -0.083 -9.559 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.445 -8.981 -6.103 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.060 -7.634 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.153 -7.115 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.512 -7.002 -7.294 1.00 0.00 H new ATOM 721 N ASP A 47 -1.812 -11.328 -8.938 1.00 0.00 N ATOM 722 CA ASP A 47 -2.178 -12.739 -8.909 1.00 0.00 C ATOM 723 C ASP A 47 -1.686 -13.369 -7.615 1.00 0.00 C ATOM 724 O ASP A 47 -1.907 -14.552 -7.352 1.00 0.00 O ATOM 725 CB ASP A 47 -1.608 -13.487 -10.117 1.00 0.00 C ATOM 726 CG ASP A 47 -2.204 -13.012 -11.424 1.00 0.00 C ATOM 727 OD1 ASP A 47 -3.393 -13.294 -11.681 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.488 -12.346 -12.202 1.00 0.00 O ATOM 0 H ASP A 47 -0.901 -11.133 -9.353 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.264 -12.814 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.526 -13.355 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.796 -14.554 -10.002 1.00 0.00 H new ATOM 733 N SER A 48 -1.008 -12.561 -6.814 1.00 0.00 N ATOM 734 CA SER A 48 -0.544 -12.972 -5.510 1.00 0.00 C ATOM 735 C SER A 48 -1.503 -12.487 -4.432 1.00 0.00 C ATOM 736 O SER A 48 -2.136 -11.442 -4.577 1.00 0.00 O ATOM 737 CB SER A 48 0.846 -12.394 -5.259 1.00 0.00 C ATOM 738 OG SER A 48 1.824 -12.988 -6.095 1.00 0.00 O ATOM 0 H SER A 48 -0.767 -11.600 -7.057 1.00 0.00 H new ATOM 0 HA SER A 48 -0.499 -14.061 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.828 -11.318 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.120 -12.547 -4.215 1.00 0.00 H new ATOM 0 HG SER A 48 2.702 -12.929 -5.664 1.00 0.00 H new ATOM 744 N GLU A 49 -1.604 -13.247 -3.354 1.00 0.00 N ATOM 745 CA GLU A 49 -2.438 -12.863 -2.220 1.00 0.00 C ATOM 746 C GLU A 49 -1.585 -12.150 -1.186 1.00 0.00 C ATOM 747 O GLU A 49 -2.090 -11.513 -0.260 1.00 0.00 O ATOM 748 CB GLU A 49 -3.069 -14.095 -1.579 1.00 0.00 C ATOM 749 CG GLU A 49 -3.727 -15.027 -2.571 1.00 0.00 C ATOM 750 CD GLU A 49 -4.404 -16.200 -1.897 1.00 0.00 C ATOM 751 OE1 GLU A 49 -5.432 -15.991 -1.219 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.897 -17.333 -2.018 1.00 0.00 O ATOM 0 H GLU A 49 -1.119 -14.136 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.229 -12.203 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.301 -14.643 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.811 -13.774 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.462 -14.472 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.978 -15.396 -3.271 1.00 0.00 H new ATOM 759 N ASP A 50 -0.280 -12.292 -1.351 1.00 0.00 N ATOM 760 CA ASP A 50 0.687 -11.738 -0.419 1.00 0.00 C ATOM 761 C ASP A 50 1.413 -10.549 -1.044 1.00 0.00 C ATOM 762 O ASP A 50 2.230 -9.892 -0.396 1.00 0.00 O ATOM 763 CB ASP A 50 1.697 -12.818 -0.013 1.00 0.00 C ATOM 764 CG ASP A 50 1.106 -13.908 0.871 1.00 0.00 C ATOM 765 OD1 ASP A 50 0.092 -14.530 0.475 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.660 -14.158 1.963 1.00 0.00 O ATOM 0 H ASP A 50 0.138 -12.794 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 50 0.158 -11.391 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.108 -13.275 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.528 -12.347 0.513 1.00 0.00 H new ATOM 771 N GLU A 51 1.102 -10.266 -2.304 1.00 0.00 N ATOM 772 CA GLU A 51 1.729 -9.156 -3.014 1.00 0.00 C ATOM 773 C GLU A 51 0.684 -8.273 -3.679 1.00 0.00 C ATOM 774 O GLU A 51 -0.361 -8.748 -4.125 1.00 0.00 O ATOM 775 CB GLU A 51 2.704 -9.640 -4.092 1.00 0.00 C ATOM 776 CG GLU A 51 4.018 -10.201 -3.568 1.00 0.00 C ATOM 777 CD GLU A 51 3.992 -11.705 -3.399 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.893 -12.417 -4.422 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.097 -12.179 -2.250 1.00 0.00 O ATOM 0 H GLU A 51 0.421 -10.789 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 51 2.279 -8.587 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.211 -10.408 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.923 -8.808 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.821 -9.932 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.248 -9.737 -2.609 1.00 0.00 H new ATOM 786 N ILE A 52 0.990 -6.992 -3.753 1.00 0.00 N ATOM 787 CA ILE A 52 0.153 -6.031 -4.449 1.00 0.00 C ATOM 788 C ILE A 52 1.017 -5.127 -5.301 1.00 0.00 C ATOM 789 O ILE A 52 2.239 -5.213 -5.267 1.00 0.00 O ATOM 790 CB ILE A 52 -0.651 -5.130 -3.490 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.289 -4.410 -2.523 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.696 -5.930 -2.738 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.317 -3.168 -1.919 1.00 0.00 C ATOM 0 H ILE A 52 1.826 -6.587 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.546 -6.612 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.174 -4.380 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.571 -5.095 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.205 -4.141 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.248 -5.270 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.386 -6.386 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.207 -6.710 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.401 -2.705 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.574 -2.466 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.217 -3.435 -1.365 1.00 0.00 H new ATOM 805 N GLU A 53 0.381 -4.262 -6.055 1.00 0.00 N ATOM 806 CA GLU A 53 1.082 -3.241 -6.795 1.00 0.00 C ATOM 807 C GLU A 53 0.416 -1.903 -6.533 1.00 0.00 C ATOM 808 O GLU A 53 -0.807 -1.811 -6.542 1.00 0.00 O ATOM 809 CB GLU A 53 1.052 -3.565 -8.277 1.00 0.00 C ATOM 810 CG GLU A 53 1.946 -2.665 -9.111 1.00 0.00 C ATOM 811 CD GLU A 53 1.202 -1.963 -10.220 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.253 -1.210 -9.920 1.00 0.00 O ATOM 813 OE2 GLU A 53 1.556 -2.164 -11.398 1.00 0.00 O ATOM 0 H GLU A 53 -0.632 -4.246 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 53 2.123 -3.198 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.358 -4.601 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.027 -3.482 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.409 -1.921 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.752 -3.260 -9.541 1.00 0.00 H new ATOM 820 N GLY A 54 1.201 -0.876 -6.286 1.00 0.00 N ATOM 821 CA GLY A 54 0.624 0.409 -5.958 1.00 0.00 C ATOM 822 C GLY A 54 1.360 1.550 -6.613 1.00 0.00 C ATOM 823 O GLY A 54 2.304 1.332 -7.368 1.00 0.00 O ATOM 0 H GLY A 54 2.220 -0.903 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.420 0.426 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.636 0.545 -4.877 1.00 0.00 H new ATOM 827 N ARG A 55 0.932 2.771 -6.330 1.00 0.00 N ATOM 828 CA ARG A 55 1.599 3.937 -6.872 1.00 0.00 C ATOM 829 C ARG A 55 1.901 4.932 -5.762 1.00 0.00 C ATOM 830 O ARG A 55 1.084 5.160 -4.869 1.00 0.00 O ATOM 831 CB ARG A 55 0.764 4.582 -7.988 1.00 0.00 C ATOM 832 CG ARG A 55 -0.410 5.422 -7.512 1.00 0.00 C ATOM 833 CD ARG A 55 -1.247 5.902 -8.688 1.00 0.00 C ATOM 834 NE ARG A 55 -2.103 7.043 -8.348 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.410 7.105 -8.619 1.00 0.00 C ATOM 836 NH1 ARG A 55 -4.048 6.037 -9.088 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.083 8.230 -8.390 1.00 0.00 N ATOM 0 H ARG A 55 0.131 2.976 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 55 2.544 3.621 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.418 5.210 -8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.386 3.794 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.031 4.836 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.044 6.279 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.586 6.181 -9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.869 5.081 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.674 7.839 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.540 5.166 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.046 6.088 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.601 9.044 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.081 8.278 -8.597 1.00 0.00 H new ATOM 918 N LYS A 60 5.181 5.046 -9.691 1.00 0.00 N ATOM 919 CA LYS A 60 3.835 4.531 -9.866 1.00 0.00 C ATOM 920 C LYS A 60 3.889 3.155 -10.514 1.00 0.00 C ATOM 921 O LYS A 60 4.650 2.934 -11.455 1.00 0.00 O ATOM 922 CB LYS A 60 2.968 5.486 -10.697 1.00 0.00 C ATOM 923 CG LYS A 60 3.412 5.654 -12.144 1.00 0.00 C ATOM 924 CD LYS A 60 2.384 6.440 -12.943 1.00 0.00 C ATOM 925 CE LYS A 60 1.022 5.758 -12.911 1.00 0.00 C ATOM 926 NZ LYS A 60 -0.027 6.565 -13.585 1.00 0.00 N ATOM 0 HA LYS A 60 3.373 4.446 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.940 5.124 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.966 6.464 -10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.373 6.168 -12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.559 4.674 -12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.298 7.448 -12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.720 6.539 -13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.094 4.784 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.731 5.580 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.936 6.062 -13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.116 7.485 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.235 6.714 -14.580 1.00 0.00 H new ATOM 940 N GLY A 61 3.109 2.228 -9.983 1.00 0.00 N ATOM 941 CA GLY A 61 3.061 0.893 -10.540 1.00 0.00 C ATOM 942 C GLY A 61 4.221 0.031 -10.089 1.00 0.00 C ATOM 943 O GLY A 61 4.893 -0.594 -10.911 1.00 0.00 O ATOM 0 H GLY A 61 2.506 2.376 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.125 0.416 -10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.063 0.957 -11.628 1.00 0.00 H new ATOM 947 N LEU A 62 4.474 0.002 -8.785 1.00 0.00 N ATOM 948 CA LEU A 62 5.520 -0.852 -8.246 1.00 0.00 C ATOM 949 C LEU A 62 4.896 -1.978 -7.432 1.00 0.00 C ATOM 950 O LEU A 62 3.977 -1.754 -6.640 1.00 0.00 O ATOM 951 CB LEU A 62 6.534 -0.057 -7.399 1.00 0.00 C ATOM 952 CG LEU A 62 6.122 0.293 -5.963 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.335 0.767 -5.178 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.043 1.365 -5.937 1.00 0.00 C ATOM 0 H LEU A 62 3.973 0.555 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 62 6.073 -1.279 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.461 -0.629 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.758 0.872 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 62 5.714 -0.607 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.035 1.014 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.085 -0.024 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.755 1.651 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.776 1.588 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.417 2.269 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.162 1.008 -6.470 1.00 0.00 H new ATOM 966 N VAL A 63 5.384 -3.186 -7.650 1.00 0.00 N ATOM 967 CA VAL A 63 4.832 -4.364 -7.002 1.00 0.00 C ATOM 968 C VAL A 63 5.573 -4.636 -5.707 1.00 0.00 C ATOM 969 O VAL A 63 6.799 -4.758 -5.700 1.00 0.00 O ATOM 970 CB VAL A 63 4.921 -5.610 -7.912 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.226 -6.802 -7.268 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.326 -5.320 -9.281 1.00 0.00 C ATOM 0 H VAL A 63 6.167 -3.378 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 63 3.780 -4.165 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 63 5.974 -5.859 -8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.302 -7.667 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.702 -7.029 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.175 -6.564 -7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.399 -6.210 -9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.279 -5.039 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.873 -4.502 -9.750 1.00 0.00 H new ATOM 982 N LEU A 64 4.827 -4.724 -4.618 1.00 0.00 N ATOM 983 CA LEU A 64 5.416 -4.923 -3.305 1.00 0.00 C ATOM 984 C LEU A 64 4.639 -5.940 -2.491 1.00 0.00 C ATOM 985 O LEU A 64 3.416 -6.048 -2.611 1.00 0.00 O ATOM 986 CB LEU A 64 5.487 -3.596 -2.545 1.00 0.00 C ATOM 987 CG LEU A 64 6.652 -2.697 -2.953 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.477 -1.298 -2.385 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.961 -3.314 -2.482 1.00 0.00 C ATOM 0 H LEU A 64 3.809 -4.660 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 64 6.424 -5.309 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.554 -3.053 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.562 -3.806 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 64 6.672 -2.613 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.318 -0.674 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.550 -0.865 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.437 -1.349 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.792 -2.672 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.945 -3.417 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.085 -4.296 -2.938 1.00 0.00 H new ATOM 1001 N ARG A 65 5.361 -6.700 -1.680 1.00 0.00 N ATOM 1002 CA ARG A 65 4.738 -7.591 -0.718 1.00 0.00 C ATOM 1003 C ARG A 65 3.938 -6.782 0.288 1.00 0.00 C ATOM 1004 O ARG A 65 4.442 -5.826 0.875 1.00 0.00 O ATOM 1005 CB ARG A 65 5.784 -8.437 0.016 1.00 0.00 C ATOM 1006 CG ARG A 65 7.103 -7.724 0.255 1.00 0.00 C ATOM 1007 CD ARG A 65 7.903 -8.351 1.392 1.00 0.00 C ATOM 1008 NE ARG A 65 7.988 -9.810 1.299 1.00 0.00 N ATOM 1009 CZ ARG A 65 9.005 -10.528 1.784 1.00 0.00 C ATOM 1010 NH1 ARG A 65 10.087 -9.918 2.264 1.00 0.00 N ATOM 1011 NH2 ARG A 65 8.946 -11.856 1.773 1.00 0.00 N ATOM 0 H ARG A 65 6.381 -6.716 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 65 4.075 -8.265 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.374 -8.750 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.972 -9.343 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.696 -7.747 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.910 -6.676 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.910 -7.934 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.445 -8.080 2.343 1.00 0.00 H new ATOM 0 HE ARG A 65 7.226 -10.307 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.141 -8.899 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.862 -10.469 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.124 -12.327 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.722 -12.404 2.143 1.00 0.00 H new ATOM 1025 N THR A 66 2.702 -7.182 0.503 1.00 0.00 N ATOM 1026 CA THR A 66 1.815 -6.467 1.401 1.00 0.00 C ATOM 1027 C THR A 66 2.055 -6.913 2.849 1.00 0.00 C ATOM 1028 O THR A 66 1.207 -6.751 3.725 1.00 0.00 O ATOM 1029 CB THR A 66 0.341 -6.694 0.987 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.544 -5.914 1.797 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.034 -8.165 1.082 1.00 0.00 C ATOM 0 H THR A 66 2.285 -8.004 0.066 1.00 0.00 H new ATOM 0 HA THR A 66 2.027 -5.400 1.335 1.00 0.00 H new ATOM 0 HB THR A 66 0.240 -6.375 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.255 -6.488 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.075 -8.295 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.607 -8.747 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.096 -8.508 2.108 1.00 0.00 H new ATOM 1039 N GLU A 67 3.257 -7.424 3.105 1.00 0.00 N ATOM 1040 CA GLU A 67 3.580 -7.995 4.403 1.00 0.00 C ATOM 1041 C GLU A 67 4.131 -6.925 5.319 1.00 0.00 C ATOM 1042 O GLU A 67 4.228 -7.104 6.532 1.00 0.00 O ATOM 1043 CB GLU A 67 4.593 -9.118 4.231 1.00 0.00 C ATOM 1044 CG GLU A 67 4.216 -10.061 3.114 1.00 0.00 C ATOM 1045 CD GLU A 67 5.010 -11.350 3.137 1.00 0.00 C ATOM 1046 OE1 GLU A 67 4.683 -12.240 3.949 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.968 -11.473 2.349 1.00 0.00 O ATOM 0 H GLU A 67 4.020 -7.453 2.429 1.00 0.00 H new ATOM 0 HA GLU A 67 2.674 -8.402 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.575 -8.691 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.675 -9.677 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.153 -10.294 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.370 -9.562 2.157 1.00 0.00 H new ATOM 1054 N PHE A 68 4.502 -5.816 4.718 1.00 0.00 N ATOM 1055 CA PHE A 68 5.012 -4.678 5.468 1.00 0.00 C ATOM 1056 C PHE A 68 4.158 -3.447 5.205 1.00 0.00 C ATOM 1057 O PHE A 68 4.559 -2.319 5.501 1.00 0.00 O ATOM 1058 CB PHE A 68 6.485 -4.407 5.128 1.00 0.00 C ATOM 1059 CG PHE A 68 6.743 -3.996 3.702 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.729 -2.662 3.336 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.021 -4.945 2.735 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.981 -2.280 2.033 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.277 -4.570 1.430 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.256 -3.236 1.080 1.00 0.00 C ATOM 0 H PHE A 68 4.462 -5.673 3.709 1.00 0.00 H new ATOM 0 HA PHE A 68 4.957 -4.916 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.857 -3.624 5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.063 -5.306 5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.518 -1.908 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.038 -5.991 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.963 -1.235 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.493 -5.321 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.455 -2.941 0.060 1.00 0.00 H new ATOM 1074 N LEU A 69 2.964 -3.670 4.674 1.00 0.00 N ATOM 1075 CA LEU A 69 2.074 -2.576 4.360 1.00 0.00 C ATOM 1076 C LEU A 69 0.851 -2.629 5.250 1.00 0.00 C ATOM 1077 O LEU A 69 0.403 -3.698 5.665 1.00 0.00 O ATOM 1078 CB LEU A 69 1.663 -2.608 2.886 1.00 0.00 C ATOM 1079 CG LEU A 69 2.819 -2.540 1.884 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.311 -2.766 0.471 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.535 -1.200 1.977 1.00 0.00 C ATOM 0 H LEU A 69 2.596 -4.596 4.455 1.00 0.00 H new ATOM 0 HA LEU A 69 2.604 -1.641 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.098 -3.522 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.989 -1.773 2.695 1.00 0.00 H new ATOM 0 HG LEU A 69 3.530 -3.329 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.146 -2.714 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.843 -3.748 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.579 -1.998 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.353 -1.174 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.832 -0.396 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.934 -1.070 2.983 1.00 0.00 H new ATOM 1093 N LYS A 70 0.348 -1.461 5.563 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.810 -1.317 6.412 1.00 0.00 C ATOM 1095 C LYS A 70 -1.926 -0.665 5.622 1.00 0.00 C ATOM 1096 O LYS A 70 -1.729 0.405 5.050 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.456 -0.441 7.614 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.022 -0.926 8.930 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.524 -1.104 8.874 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.152 -0.831 10.227 1.00 0.00 C ATOM 1101 NZ LYS A 70 -3.098 0.610 10.594 1.00 0.00 N ATOM 0 H LYS A 70 0.733 -0.576 5.234 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.132 -2.297 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.629 -0.383 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.816 0.571 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.555 -1.874 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.771 -0.214 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.947 -0.429 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.762 -2.119 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.190 -1.162 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.638 -1.417 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.842 0.819 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.168 0.829 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.246 1.191 9.744 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.080 -1.308 5.571 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.224 -0.733 4.891 1.00 0.00 C ATOM 1117 C LYS A 71 -4.583 0.593 5.541 1.00 0.00 C ATOM 1118 O LYS A 71 -4.896 0.644 6.732 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.422 -1.678 4.946 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.613 -1.181 4.143 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.889 -1.897 4.545 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.093 -1.381 3.778 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.039 -1.744 2.338 1.00 0.00 N ATOM 0 H LYS A 71 -3.248 -2.223 5.990 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.964 -0.573 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.122 -2.657 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.723 -1.813 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.733 -0.108 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.427 -1.335 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.777 -2.967 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.057 -1.767 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.004 -1.786 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.147 -0.297 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.784 -1.233 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.110 -1.485 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.185 -2.768 2.232 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.516 1.665 4.770 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.789 2.989 5.296 1.00 0.00 C ATOM 1139 C ALA A 72 -6.248 3.093 5.715 1.00 0.00 C ATOM 1140 O ALA A 72 -6.563 3.545 6.816 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.437 4.052 4.266 1.00 0.00 C ATOM 0 H ALA A 72 -4.275 1.643 3.779 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.168 3.157 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.648 5.040 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.378 3.981 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.033 3.898 3.366 1.00 0.00 H new