USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 165:sc= -3.45! (180deg=-3.96!) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.00106 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -110:sc= -7.12! USER MOD Single : A 20 HIS : no HE2:sc= -2.14! C(o=-2.1!,f=-6.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 40 SER OG : rot 180:sc= -0.365 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -17.2! C(o=-18!,f=-17!) USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= -0.375 (180deg=-3.73!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.100 5.530 -7.564 1.00 0.00 N ATOM 37 CA MET A 1 11.936 4.690 -7.793 1.00 0.00 C ATOM 38 C MET A 1 11.376 4.902 -9.201 1.00 0.00 C ATOM 39 O MET A 1 11.204 6.038 -9.640 1.00 0.00 O ATOM 40 CB MET A 1 10.857 5.019 -6.759 1.00 0.00 C ATOM 41 CG MET A 1 9.593 4.193 -7.005 1.00 0.00 C ATOM 42 SD MET A 1 8.936 3.606 -5.452 1.00 0.00 S ATOM 43 CE MET A 1 9.620 1.958 -5.429 1.00 0.00 C ATOM 0 H1 MET A 1 13.104 5.856 -6.577 1.00 0.00 H new ATOM 0 H2 MET A 1 13.965 4.983 -7.751 1.00 0.00 H new ATOM 0 H3 MET A 1 13.065 6.352 -8.200 1.00 0.00 H new ATOM 0 HA MET A 1 12.239 3.647 -7.696 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.236 4.821 -5.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.616 6.081 -6.804 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.847 4.799 -7.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.821 3.349 -7.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.537 1.544 -4.424 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.072 1.327 -6.128 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.670 1.996 -5.721 1.00 0.00 H new ATOM 53 N ASP A 2 11.106 3.790 -9.869 1.00 0.00 N ATOM 54 CA ASP A 2 10.569 3.840 -11.218 1.00 0.00 C ATOM 55 C ASP A 2 9.288 3.006 -11.283 1.00 0.00 C ATOM 56 O ASP A 2 9.074 2.124 -10.452 1.00 0.00 O ATOM 57 CB ASP A 2 11.561 3.261 -12.228 1.00 0.00 C ATOM 58 CG ASP A 2 13.014 3.701 -12.033 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.234 4.931 -12.000 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.870 2.798 -11.921 1.00 0.00 O ATOM 0 H ASP A 2 11.249 2.849 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 2 10.372 4.883 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.516 2.173 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.243 3.545 -13.231 1.00 0.00 H new ATOM 65 N LEU A 3 8.469 3.314 -12.278 1.00 0.00 N ATOM 66 CA LEU A 3 7.215 2.604 -12.463 1.00 0.00 C ATOM 67 C LEU A 3 7.506 1.132 -12.764 1.00 0.00 C ATOM 68 O LEU A 3 6.896 0.242 -12.174 1.00 0.00 O ATOM 69 CB LEU A 3 6.361 3.292 -13.529 1.00 0.00 C ATOM 70 CG LEU A 3 5.385 4.357 -13.023 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.157 3.712 -12.376 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.083 5.335 -12.077 1.00 0.00 C ATOM 0 H LEU A 3 8.650 4.046 -12.965 1.00 0.00 H new ATOM 0 HA LEU A 3 6.624 2.632 -11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.027 3.755 -14.257 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.792 2.528 -14.059 1.00 0.00 H new ATOM 0 HG LEU A 3 5.033 4.933 -13.879 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.480 4.490 -12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.645 3.089 -13.109 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.471 3.097 -11.533 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.367 6.081 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.481 4.791 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.899 5.831 -12.603 1.00 0.00 H new ATOM 84 N GLU A 4 8.438 0.923 -13.682 1.00 0.00 N ATOM 85 CA GLU A 4 8.818 -0.425 -14.068 1.00 0.00 C ATOM 86 C GLU A 4 9.388 -1.182 -12.867 1.00 0.00 C ATOM 87 O GLU A 4 9.085 -2.357 -12.668 1.00 0.00 O ATOM 88 CB GLU A 4 9.818 -0.403 -15.226 1.00 0.00 C ATOM 89 CG GLU A 4 11.084 0.367 -14.842 1.00 0.00 C ATOM 90 CD GLU A 4 11.777 0.935 -16.082 1.00 0.00 C ATOM 91 OE1 GLU A 4 12.389 0.125 -16.812 1.00 0.00 O ATOM 92 OE2 GLU A 4 11.680 2.167 -16.273 1.00 0.00 O ATOM 0 H GLU A 4 8.941 1.664 -14.170 1.00 0.00 H new ATOM 0 HA GLU A 4 7.925 -0.948 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.079 -1.424 -15.505 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.358 0.059 -16.100 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.828 1.178 -14.160 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.768 -0.293 -14.309 1.00 0.00 H new ATOM 99 N THR A 5 10.203 -0.476 -12.096 1.00 0.00 N ATOM 100 CA THR A 5 10.818 -1.067 -10.920 1.00 0.00 C ATOM 101 C THR A 5 9.792 -1.204 -9.794 1.00 0.00 C ATOM 102 O THR A 5 9.851 -2.147 -9.006 1.00 0.00 O ATOM 103 CB THR A 5 12.027 -0.210 -10.538 1.00 0.00 C ATOM 104 OG1 THR A 5 13.104 -0.780 -11.278 1.00 0.00 O ATOM 105 CG2 THR A 5 12.440 -0.397 -9.076 1.00 0.00 C ATOM 0 H THR A 5 10.451 0.499 -12.263 1.00 0.00 H new ATOM 0 HA THR A 5 11.169 -2.079 -11.123 1.00 0.00 H new ATOM 0 HB THR A 5 11.799 0.840 -10.719 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.928 -0.284 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.302 0.234 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.612 -0.117 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.701 -1.441 -8.902 1.00 0.00 H new ATOM 113 N LEU A 6 8.874 -0.249 -9.753 1.00 0.00 N ATOM 114 CA LEU A 6 7.836 -0.252 -8.737 1.00 0.00 C ATOM 115 C LEU A 6 7.055 -1.566 -8.815 1.00 0.00 C ATOM 116 O LEU A 6 6.634 -2.104 -7.791 1.00 0.00 O ATOM 117 CB LEU A 6 6.957 0.994 -8.865 1.00 0.00 C ATOM 118 CG LEU A 6 7.356 2.188 -7.995 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.320 3.489 -8.801 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.485 2.267 -6.740 1.00 0.00 C ATOM 0 H LEU A 6 8.828 0.532 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 6 8.278 -0.202 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.961 1.312 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.931 0.718 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 6 8.384 2.042 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.608 4.322 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.015 3.418 -9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.312 3.654 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.789 3.124 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.440 2.379 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.604 1.354 -6.156 1.00 0.00 H new ATOM 132 N ARG A 7 6.885 -2.044 -10.038 1.00 0.00 N ATOM 133 CA ARG A 7 6.162 -3.285 -10.263 1.00 0.00 C ATOM 134 C ARG A 7 6.975 -4.474 -9.747 1.00 0.00 C ATOM 135 O ARG A 7 6.421 -5.401 -9.159 1.00 0.00 O ATOM 136 CB ARG A 7 5.864 -3.487 -11.750 1.00 0.00 C ATOM 137 CG ARG A 7 5.727 -2.143 -12.469 1.00 0.00 C ATOM 138 CD ARG A 7 4.590 -2.183 -13.493 1.00 0.00 C ATOM 139 NE ARG A 7 5.137 -2.044 -14.861 1.00 0.00 N ATOM 140 CZ ARG A 7 4.420 -2.229 -15.978 1.00 0.00 C ATOM 141 NH1 ARG A 7 3.124 -2.560 -15.896 1.00 0.00 N ATOM 142 NH2 ARG A 7 4.999 -2.082 -17.178 1.00 0.00 N ATOM 0 H ARG A 7 7.235 -1.595 -10.884 1.00 0.00 H new ATOM 0 HA ARG A 7 5.219 -3.222 -9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.663 -4.069 -12.209 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.945 -4.061 -11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.538 -1.354 -11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.664 -1.897 -12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.043 -3.122 -13.405 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.880 -1.380 -13.293 1.00 0.00 H new ATOM 0 HE ARG A 7 6.120 -1.792 -14.960 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.683 -2.671 -14.983 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.579 -2.701 -16.746 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.985 -1.829 -17.241 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.453 -2.223 -18.028 1.00 0.00 H new ATOM 156 N ALA A 8 8.277 -4.408 -9.985 1.00 0.00 N ATOM 157 CA ALA A 8 9.172 -5.467 -9.552 1.00 0.00 C ATOM 158 C ALA A 8 9.080 -5.616 -8.032 1.00 0.00 C ATOM 159 O ALA A 8 8.850 -6.713 -7.525 1.00 0.00 O ATOM 160 CB ALA A 8 10.594 -5.159 -10.023 1.00 0.00 C ATOM 0 H ALA A 8 8.733 -3.637 -10.472 1.00 0.00 H new ATOM 0 HA ALA A 8 8.882 -6.420 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.265 -5.954 -9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.611 -5.092 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.921 -4.211 -9.596 1.00 0.00 H new ATOM 166 N ARG A 9 9.264 -4.497 -7.347 1.00 0.00 N ATOM 167 CA ARG A 9 9.205 -4.489 -5.895 1.00 0.00 C ATOM 168 C ARG A 9 7.781 -4.788 -5.421 1.00 0.00 C ATOM 169 O ARG A 9 7.589 -5.461 -4.409 1.00 0.00 O ATOM 170 CB ARG A 9 9.650 -3.138 -5.333 1.00 0.00 C ATOM 171 CG ARG A 9 9.071 -1.985 -6.155 1.00 0.00 C ATOM 172 CD ARG A 9 8.233 -1.052 -5.278 1.00 0.00 C ATOM 173 NE ARG A 9 7.274 -1.841 -4.472 1.00 0.00 N ATOM 174 CZ ARG A 9 6.170 -1.333 -3.910 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.878 -0.034 -4.061 1.00 0.00 N ATOM 176 NH2 ARG A 9 5.357 -2.123 -3.196 1.00 0.00 N ATOM 0 H ARG A 9 9.454 -3.589 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 9 9.883 -5.261 -5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.328 -3.048 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.738 -3.080 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.881 -1.423 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.455 -2.382 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.884 -0.475 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.695 -0.338 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 9 7.466 -2.833 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.497 0.568 -4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.037 0.353 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.579 -3.112 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.516 -1.736 -2.768 1.00 0.00 H new ATOM 190 N ARG A 10 6.821 -4.273 -6.173 1.00 0.00 N ATOM 191 CA ARG A 10 5.420 -4.475 -5.842 1.00 0.00 C ATOM 192 C ARG A 10 5.083 -5.968 -5.854 1.00 0.00 C ATOM 193 O ARG A 10 4.411 -6.463 -4.950 1.00 0.00 O ATOM 194 CB ARG A 10 4.509 -3.746 -6.831 1.00 0.00 C ATOM 195 CG ARG A 10 3.772 -2.592 -6.149 1.00 0.00 C ATOM 196 CD ARG A 10 3.794 -1.335 -7.021 1.00 0.00 C ATOM 197 NE ARG A 10 3.750 -0.126 -6.168 1.00 0.00 N ATOM 198 CZ ARG A 10 2.618 0.465 -5.762 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.431 -0.036 -6.128 1.00 0.00 N ATOM 200 NH2 ARG A 10 2.674 1.559 -4.989 1.00 0.00 N ATOM 0 H ARG A 10 6.985 -3.716 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 10 5.253 -4.068 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.101 -3.363 -7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.787 -4.447 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.741 -2.882 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.235 -2.379 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.694 -1.324 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.943 -1.340 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 10 4.636 0.282 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.388 -0.868 -6.716 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.570 0.415 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.578 1.941 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.813 2.009 -4.680 1.00 0.00 H new ATOM 214 N GLU A 11 5.565 -6.643 -6.887 1.00 0.00 N ATOM 215 CA GLU A 11 5.323 -8.068 -7.028 1.00 0.00 C ATOM 216 C GLU A 11 5.876 -8.823 -5.818 1.00 0.00 C ATOM 217 O GLU A 11 5.204 -9.690 -5.262 1.00 0.00 O ATOM 218 CB GLU A 11 5.927 -8.601 -8.329 1.00 0.00 C ATOM 219 CG GLU A 11 6.336 -10.068 -8.184 1.00 0.00 C ATOM 220 CD GLU A 11 5.136 -10.937 -7.802 1.00 0.00 C ATOM 221 OE1 GLU A 11 4.105 -10.819 -8.499 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.277 -11.700 -6.822 1.00 0.00 O ATOM 0 H GLU A 11 6.122 -6.229 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 11 4.246 -8.231 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.204 -8.500 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.796 -8.003 -8.602 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.764 -10.424 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.112 -10.159 -7.424 1.00 0.00 H new ATOM 229 N ALA A 12 7.097 -8.466 -5.445 1.00 0.00 N ATOM 230 CA ALA A 12 7.748 -9.099 -4.311 1.00 0.00 C ATOM 231 C ALA A 12 7.074 -8.637 -3.018 1.00 0.00 C ATOM 232 O ALA A 12 6.946 -9.410 -2.070 1.00 0.00 O ATOM 233 CB ALA A 12 9.244 -8.776 -4.336 1.00 0.00 C ATOM 0 H ALA A 12 7.652 -7.746 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 12 7.647 -10.183 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.733 -9.251 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.682 -9.150 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.384 -7.697 -4.279 1.00 0.00 H new ATOM 239 N VAL A 13 6.659 -7.378 -3.021 1.00 0.00 N ATOM 240 CA VAL A 13 6.001 -6.804 -1.860 1.00 0.00 C ATOM 241 C VAL A 13 4.634 -7.467 -1.674 1.00 0.00 C ATOM 242 O VAL A 13 4.201 -7.699 -0.547 1.00 0.00 O ATOM 243 CB VAL A 13 5.912 -5.284 -2.007 1.00 0.00 C ATOM 244 CG1 VAL A 13 5.012 -4.680 -0.928 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.304 -4.648 -1.979 1.00 0.00 C ATOM 0 H VAL A 13 6.766 -6.740 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 13 6.582 -6.997 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 13 5.464 -5.067 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.966 -3.598 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.009 -5.098 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.418 -4.912 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.212 -3.567 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.791 -4.879 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.902 -5.044 -2.800 1.00 0.00 H new ATOM 255 N LEU A 14 3.994 -7.755 -2.798 1.00 0.00 N ATOM 256 CA LEU A 14 2.686 -8.387 -2.773 1.00 0.00 C ATOM 257 C LEU A 14 2.788 -9.732 -2.052 1.00 0.00 C ATOM 258 O LEU A 14 1.925 -10.074 -1.244 1.00 0.00 O ATOM 259 CB LEU A 14 2.113 -8.490 -4.188 1.00 0.00 C ATOM 260 CG LEU A 14 1.323 -7.276 -4.682 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.182 -7.547 -4.636 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.703 -6.018 -3.898 1.00 0.00 C ATOM 0 H LEU A 14 4.357 -7.562 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 14 1.979 -7.776 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.936 -8.669 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.463 -9.364 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 14 1.587 -7.097 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.721 -6.669 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.418 -8.400 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.481 -7.765 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.127 -5.170 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.486 -6.169 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.767 -5.818 -4.025 1.00 0.00 H new ATOM 274 N SER A 15 3.849 -10.458 -2.369 1.00 0.00 N ATOM 275 CA SER A 15 4.075 -11.759 -1.761 1.00 0.00 C ATOM 276 C SER A 15 4.428 -11.590 -0.281 1.00 0.00 C ATOM 277 O SER A 15 4.058 -12.421 0.547 1.00 0.00 O ATOM 278 CB SER A 15 5.185 -12.521 -2.488 1.00 0.00 C ATOM 279 OG SER A 15 4.797 -13.855 -2.805 1.00 0.00 O ATOM 0 H SER A 15 4.562 -10.171 -3.039 1.00 0.00 H new ATOM 0 HA SER A 15 3.157 -12.341 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.448 -11.992 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.079 -12.542 -1.865 1.00 0.00 H new ATOM 0 HG SER A 15 5.532 -14.308 -3.270 1.00 0.00 H new ATOM 285 N LEU A 16 5.139 -10.510 0.005 1.00 0.00 N ATOM 286 CA LEU A 16 5.546 -10.222 1.370 1.00 0.00 C ATOM 287 C LEU A 16 4.342 -9.702 2.158 1.00 0.00 C ATOM 288 O LEU A 16 4.142 -10.076 3.312 1.00 0.00 O ATOM 289 CB LEU A 16 6.746 -9.273 1.383 1.00 0.00 C ATOM 290 CG LEU A 16 6.751 -8.213 2.486 1.00 0.00 C ATOM 291 CD1 LEU A 16 8.101 -7.498 2.553 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.590 -7.231 2.308 1.00 0.00 C ATOM 0 H LEU A 16 5.444 -9.823 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 16 5.883 -11.132 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.654 -9.869 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.794 -8.766 0.419 1.00 0.00 H new ATOM 0 HG LEU A 16 6.605 -8.715 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.077 -6.750 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.887 -8.224 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.302 -7.010 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.617 -6.488 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.680 -6.732 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.645 -7.773 2.349 1.00 0.00 H new ATOM 304 N CYS A 17 3.571 -8.847 1.502 1.00 0.00 N ATOM 305 CA CYS A 17 2.392 -8.271 2.126 1.00 0.00 C ATOM 306 C CYS A 17 1.459 -9.413 2.536 1.00 0.00 C ATOM 307 O CYS A 17 0.875 -9.384 3.618 1.00 0.00 O ATOM 308 CB CYS A 17 1.696 -7.268 1.203 1.00 0.00 C ATOM 309 SG CYS A 17 2.081 -5.559 1.732 1.00 0.00 S ATOM 0 H CYS A 17 3.740 -8.539 0.544 1.00 0.00 H new ATOM 0 HA CYS A 17 2.685 -7.707 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.022 -7.421 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.618 -7.430 1.223 1.00 0.00 H new ATOM 0 HG CYS A 17 1.014 -5.009 2.232 1.00 0.00 H new ATOM 315 N ALA A 18 1.349 -10.391 1.649 1.00 0.00 N ATOM 316 CA ALA A 18 0.497 -11.540 1.905 1.00 0.00 C ATOM 317 C ALA A 18 1.034 -12.308 3.114 1.00 0.00 C ATOM 318 O ALA A 18 0.263 -12.868 3.891 1.00 0.00 O ATOM 319 CB ALA A 18 0.421 -12.409 0.648 1.00 0.00 C ATOM 0 H ALA A 18 1.835 -10.412 0.753 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.518 -11.221 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.218 -13.271 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.006 -11.825 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.421 -12.751 0.381 1.00 0.00 H new ATOM 325 N ARG A 19 2.354 -12.311 3.234 1.00 0.00 N ATOM 326 CA ARG A 19 3.003 -13.002 4.335 1.00 0.00 C ATOM 327 C ARG A 19 2.729 -12.275 5.653 1.00 0.00 C ATOM 328 O ARG A 19 2.521 -12.911 6.685 1.00 0.00 O ATOM 329 CB ARG A 19 4.515 -13.091 4.115 1.00 0.00 C ATOM 330 CG ARG A 19 4.956 -14.543 3.922 1.00 0.00 C ATOM 331 CD ARG A 19 5.183 -14.856 2.442 1.00 0.00 C ATOM 332 NE ARG A 19 4.462 -16.093 2.069 1.00 0.00 N ATOM 333 CZ ARG A 19 4.819 -17.321 2.470 1.00 0.00 C ATOM 334 NH1 ARG A 19 5.891 -17.483 3.258 1.00 0.00 N ATOM 335 NH2 ARG A 19 4.105 -18.387 2.083 1.00 0.00 N ATOM 0 H ARG A 19 2.991 -11.846 2.587 1.00 0.00 H new ATOM 0 HA ARG A 19 2.594 -14.011 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.794 -12.503 3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.036 -12.659 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.874 -14.725 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.198 -15.214 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.836 -14.024 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.249 -14.974 2.246 1.00 0.00 H new ATOM 0 HE ARG A 19 3.642 -16.006 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.435 -16.672 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.163 -18.417 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.289 -18.264 1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.377 -19.321 2.388 1.00 0.00 H new ATOM 349 N HIS A 20 2.738 -10.952 5.576 1.00 0.00 N ATOM 350 CA HIS A 20 2.494 -10.132 6.750 1.00 0.00 C ATOM 351 C HIS A 20 1.042 -10.302 7.201 1.00 0.00 C ATOM 352 O HIS A 20 0.757 -10.315 8.398 1.00 0.00 O ATOM 353 CB HIS A 20 2.862 -8.672 6.479 1.00 0.00 C ATOM 354 CG HIS A 20 4.319 -8.352 6.719 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.763 -7.680 7.844 1.00 0.00 N ATOM 356 CD2 HIS A 20 5.425 -8.619 5.968 1.00 0.00 C ATOM 357 CE1 HIS A 20 6.079 -7.553 7.763 1.00 0.00 C ATOM 358 NE2 HIS A 20 6.488 -8.136 6.599 1.00 0.00 N ATOM 0 H HIS A 20 2.911 -10.428 4.718 1.00 0.00 H new ATOM 0 HA HIS A 20 3.134 -10.462 7.568 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.613 -8.431 5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.250 -8.030 7.113 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.177 -7.340 8.606 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.435 -9.136 5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.716 -7.072 8.490 1.00 0.00 H new ATOM 366 N GLY A 21 0.161 -10.430 6.219 1.00 0.00 N ATOM 367 CA GLY A 21 -1.254 -10.599 6.501 1.00 0.00 C ATOM 368 C GLY A 21 -2.093 -9.584 5.722 1.00 0.00 C ATOM 369 O GLY A 21 -3.042 -9.015 6.259 1.00 0.00 O ATOM 0 H GLY A 21 0.400 -10.420 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.563 -11.610 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.432 -10.480 7.570 1.00 0.00 H new ATOM 373 N ALA A 22 -1.713 -9.388 4.467 1.00 0.00 N ATOM 374 CA ALA A 22 -2.419 -8.452 3.609 1.00 0.00 C ATOM 375 C ALA A 22 -3.096 -9.220 2.472 1.00 0.00 C ATOM 376 O ALA A 22 -2.423 -9.753 1.591 1.00 0.00 O ATOM 377 CB ALA A 22 -1.441 -7.393 3.096 1.00 0.00 C ATOM 0 H ALA A 22 -0.925 -9.862 4.025 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.199 -7.933 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.970 -6.690 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.009 -6.857 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.646 -7.877 2.529 1.00 0.00 H new ATOM 383 N VAL A 23 -4.419 -9.253 2.529 1.00 0.00 N ATOM 384 CA VAL A 23 -5.195 -9.947 1.515 1.00 0.00 C ATOM 385 C VAL A 23 -5.559 -8.966 0.398 1.00 0.00 C ATOM 386 O VAL A 23 -5.304 -9.233 -0.775 1.00 0.00 O ATOM 387 CB VAL A 23 -6.418 -10.607 2.153 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.005 -11.538 3.295 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.419 -9.556 2.637 1.00 0.00 C ATOM 0 H VAL A 23 -4.974 -8.810 3.262 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.608 -10.748 1.066 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.909 -11.210 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.893 -11.995 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.348 -12.318 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.479 -10.966 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.279 -10.052 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.943 -8.914 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.749 -8.952 1.792 1.00 0.00 H new ATOM 399 N ARG A 24 -6.151 -7.852 0.802 1.00 0.00 N ATOM 400 CA ARG A 24 -6.554 -6.831 -0.149 1.00 0.00 C ATOM 401 C ARG A 24 -5.342 -6.005 -0.586 1.00 0.00 C ATOM 402 O ARG A 24 -5.064 -4.952 -0.013 1.00 0.00 O ATOM 403 CB ARG A 24 -7.606 -5.899 0.454 1.00 0.00 C ATOM 404 CG ARG A 24 -8.980 -6.572 0.488 1.00 0.00 C ATOM 405 CD ARG A 24 -9.771 -6.269 -0.786 1.00 0.00 C ATOM 406 NE ARG A 24 -11.218 -6.206 -0.480 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.993 -7.283 -0.295 1.00 0.00 C ATOM 408 NH1 ARG A 24 -11.466 -8.512 -0.382 1.00 0.00 N ATOM 409 NH2 ARG A 24 -13.296 -7.131 -0.021 1.00 0.00 N ATOM 0 H ARG A 24 -6.361 -7.634 1.776 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.986 -7.336 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.310 -5.616 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.661 -4.981 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.858 -7.650 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.538 -6.225 1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.440 -5.323 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.582 -7.040 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.652 -5.286 -0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.474 -8.628 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.057 -9.331 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.697 -6.196 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.887 -7.951 0.120 1.00 0.00 H new ATOM 423 N VAL A 25 -4.652 -6.514 -1.596 1.00 0.00 N ATOM 424 CA VAL A 25 -3.476 -5.836 -2.116 1.00 0.00 C ATOM 425 C VAL A 25 -3.898 -4.870 -3.225 1.00 0.00 C ATOM 426 O VAL A 25 -4.188 -5.292 -4.344 1.00 0.00 O ATOM 427 CB VAL A 25 -2.442 -6.864 -2.580 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.699 -7.470 -1.388 1.00 0.00 C ATOM 429 CG2 VAL A 25 -3.097 -7.955 -3.430 1.00 0.00 C ATOM 0 H VAL A 25 -4.884 -7.388 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.999 -5.245 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.712 -6.347 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.970 -8.197 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.185 -6.680 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.412 -7.965 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.340 -8.673 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.859 -8.467 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.559 -7.504 -4.308 1.00 0.00 H new ATOM 439 N ARG A 26 -3.919 -3.592 -2.877 1.00 0.00 N ATOM 440 CA ARG A 26 -4.300 -2.563 -3.829 1.00 0.00 C ATOM 441 C ARG A 26 -3.630 -1.235 -3.471 1.00 0.00 C ATOM 442 O ARG A 26 -3.266 -1.010 -2.318 1.00 0.00 O ATOM 443 CB ARG A 26 -5.818 -2.371 -3.853 1.00 0.00 C ATOM 444 CG ARG A 26 -6.409 -2.845 -5.182 1.00 0.00 C ATOM 445 CD ARG A 26 -7.875 -2.425 -5.312 1.00 0.00 C ATOM 446 NE ARG A 26 -8.692 -3.571 -5.769 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.908 -3.455 -6.319 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.455 -2.243 -6.484 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.576 -4.550 -6.704 1.00 0.00 N ATOM 0 H ARG A 26 -3.678 -3.246 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.970 -2.885 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.271 -2.925 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.058 -1.319 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.833 -2.429 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.330 -3.930 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.245 -2.064 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.964 -1.600 -6.019 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.305 -4.508 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.946 -1.409 -6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.381 -2.154 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.159 -5.472 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.502 -4.462 -7.123 1.00 0.00 H new ATOM 463 N VAL A 27 -3.489 -0.389 -4.481 1.00 0.00 N ATOM 464 CA VAL A 27 -2.869 0.911 -4.288 1.00 0.00 C ATOM 465 C VAL A 27 -3.844 2.006 -4.726 1.00 0.00 C ATOM 466 O VAL A 27 -4.332 1.992 -5.855 1.00 0.00 O ATOM 467 CB VAL A 27 -1.532 0.969 -5.030 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.674 0.437 -6.458 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.966 2.390 -5.028 1.00 0.00 C ATOM 0 H VAL A 27 -3.794 -0.579 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.647 1.076 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.827 0.327 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.710 0.489 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.013 -0.599 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.401 1.041 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.016 2.404 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.669 3.062 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.810 2.718 -4.000 1.00 0.00 H new ATOM 479 N PHE A 28 -4.099 2.928 -3.809 1.00 0.00 N ATOM 480 CA PHE A 28 -5.007 4.028 -4.087 1.00 0.00 C ATOM 481 C PHE A 28 -4.315 5.376 -3.877 1.00 0.00 C ATOM 482 O PHE A 28 -3.431 5.499 -3.031 1.00 0.00 O ATOM 483 CB PHE A 28 -6.171 3.907 -3.101 1.00 0.00 C ATOM 484 CG PHE A 28 -5.906 4.559 -1.743 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.100 3.941 -0.838 1.00 0.00 C ATOM 486 CD2 PHE A 28 -6.477 5.755 -1.439 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.854 4.546 0.423 1.00 0.00 C ATOM 488 CE2 PHE A 28 -6.232 6.360 -0.178 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.425 5.743 0.726 1.00 0.00 C ATOM 0 H PHE A 28 -3.693 2.936 -2.873 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.344 3.980 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.058 4.361 -3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.396 2.852 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.647 2.990 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.117 6.245 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.214 4.056 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.686 7.310 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.237 6.203 1.685 1.00 0.00 H new ATOM 499 N GLY A 29 -4.743 6.354 -4.663 1.00 0.00 N ATOM 500 CA GLY A 29 -4.176 7.688 -4.574 1.00 0.00 C ATOM 501 C GLY A 29 -3.635 8.145 -5.930 1.00 0.00 C ATOM 502 O GLY A 29 -3.945 7.548 -6.959 1.00 0.00 O ATOM 0 H GLY A 29 -5.476 6.248 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.936 8.388 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.374 7.698 -3.836 1.00 0.00 H new ATOM 506 N SER A 30 -2.835 9.201 -5.886 1.00 0.00 N ATOM 507 CA SER A 30 -2.248 9.745 -7.099 1.00 0.00 C ATOM 508 C SER A 30 -1.202 8.776 -7.654 1.00 0.00 C ATOM 509 O SER A 30 -1.072 8.626 -8.868 1.00 0.00 O ATOM 510 CB SER A 30 -1.617 11.114 -6.839 1.00 0.00 C ATOM 511 OG SER A 30 -0.953 11.166 -5.579 1.00 0.00 O ATOM 0 H SER A 30 -2.580 9.694 -5.030 1.00 0.00 H new ATOM 0 HA SER A 30 -3.042 9.874 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.906 11.342 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.390 11.882 -6.873 1.00 0.00 H new ATOM 0 HG SER A 30 -0.562 12.056 -5.452 1.00 0.00 H new ATOM 517 N VAL A 31 -0.483 8.143 -6.739 1.00 0.00 N ATOM 518 CA VAL A 31 0.548 7.193 -7.122 1.00 0.00 C ATOM 519 C VAL A 31 -0.079 6.081 -7.966 1.00 0.00 C ATOM 520 O VAL A 31 0.564 5.544 -8.867 1.00 0.00 O ATOM 521 CB VAL A 31 1.264 6.667 -5.877 1.00 0.00 C ATOM 522 CG1 VAL A 31 2.276 5.580 -6.244 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.937 7.806 -5.109 1.00 0.00 C ATOM 0 H VAL A 31 -0.594 8.269 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 31 1.307 7.679 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 31 0.515 6.220 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.771 5.224 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.760 4.750 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.020 5.991 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.439 7.405 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.669 8.296 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.184 8.530 -4.799 1.00 0.00 H new ATOM 533 N ALA A 32 -1.325 5.768 -7.644 1.00 0.00 N ATOM 534 CA ALA A 32 -2.045 4.730 -8.362 1.00 0.00 C ATOM 535 C ALA A 32 -2.004 5.030 -9.861 1.00 0.00 C ATOM 536 O ALA A 32 -1.845 4.121 -10.675 1.00 0.00 O ATOM 537 CB ALA A 32 -3.475 4.637 -7.825 1.00 0.00 C ATOM 0 H ALA A 32 -1.855 6.215 -6.896 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.574 3.759 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.016 3.859 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.450 4.393 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.979 5.593 -7.966 1.00 0.00 H new ATOM 543 N ARG A 33 -2.149 6.307 -10.181 1.00 0.00 N ATOM 544 CA ARG A 33 -2.130 6.738 -11.569 1.00 0.00 C ATOM 545 C ARG A 33 -0.689 6.862 -12.067 1.00 0.00 C ATOM 546 O ARG A 33 -0.444 6.889 -13.272 1.00 0.00 O ATOM 547 CB ARG A 33 -2.838 8.083 -11.738 1.00 0.00 C ATOM 548 CG ARG A 33 -4.181 7.910 -12.452 1.00 0.00 C ATOM 549 CD ARG A 33 -4.747 9.263 -12.889 1.00 0.00 C ATOM 550 NE ARG A 33 -5.345 9.149 -14.238 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.648 9.237 -15.379 1.00 0.00 C ATOM 552 NH1 ARG A 33 -3.324 9.440 -15.340 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.274 9.122 -16.558 1.00 0.00 N ATOM 0 H ARG A 33 -2.280 7.058 -9.503 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.657 5.986 -12.156 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.998 8.539 -10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.204 8.763 -12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.054 7.266 -13.323 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.889 7.413 -11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.500 9.599 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.956 10.013 -12.895 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.351 8.994 -14.303 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.848 9.527 -14.442 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.793 9.507 -16.208 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.282 8.967 -16.587 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.743 9.189 -17.426 1.00 0.00 H new ATOM 567 N GLY A 34 0.229 6.934 -11.113 1.00 0.00 N ATOM 568 CA GLY A 34 1.639 7.054 -11.439 1.00 0.00 C ATOM 569 C GLY A 34 2.138 8.480 -11.197 1.00 0.00 C ATOM 570 O GLY A 34 2.964 8.990 -11.953 1.00 0.00 O ATOM 0 H GLY A 34 0.023 6.911 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.217 6.355 -10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.799 6.781 -12.482 1.00 0.00 H new ATOM 574 N GLU A 35 1.616 9.084 -10.140 1.00 0.00 N ATOM 575 CA GLU A 35 1.998 10.442 -9.788 1.00 0.00 C ATOM 576 C GLU A 35 2.555 10.484 -8.364 1.00 0.00 C ATOM 577 O GLU A 35 1.932 9.972 -7.435 1.00 0.00 O ATOM 578 CB GLU A 35 0.816 11.401 -9.944 1.00 0.00 C ATOM 579 CG GLU A 35 0.588 11.755 -11.415 1.00 0.00 C ATOM 580 CD GLU A 35 1.025 13.192 -11.708 1.00 0.00 C ATOM 581 OE1 GLU A 35 0.551 14.089 -10.978 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.822 13.361 -12.655 1.00 0.00 O ATOM 0 H GLU A 35 0.931 8.658 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 35 2.781 10.768 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.084 10.945 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.003 12.310 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.145 11.065 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.467 11.634 -11.662 1.00 0.00 H new ATOM 589 N ALA A 36 3.721 11.100 -8.237 1.00 0.00 N ATOM 590 CA ALA A 36 4.369 11.216 -6.942 1.00 0.00 C ATOM 591 C ALA A 36 5.795 11.735 -7.134 1.00 0.00 C ATOM 592 O ALA A 36 6.655 11.020 -7.647 1.00 0.00 O ATOM 593 CB ALA A 36 4.331 9.863 -6.229 1.00 0.00 C ATOM 0 H ALA A 36 4.234 11.524 -9.010 1.00 0.00 H new ATOM 0 HA ALA A 36 3.841 11.931 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.817 9.950 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.295 9.554 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.854 9.120 -6.831 1.00 0.00 H new ATOM 599 N ARG A 37 6.002 12.974 -6.713 1.00 0.00 N ATOM 600 CA ARG A 37 7.310 13.596 -6.833 1.00 0.00 C ATOM 601 C ARG A 37 8.354 12.790 -6.058 1.00 0.00 C ATOM 602 O ARG A 37 8.064 11.700 -5.568 1.00 0.00 O ATOM 603 CB ARG A 37 7.287 15.031 -6.303 1.00 0.00 C ATOM 604 CG ARG A 37 6.739 15.081 -4.876 1.00 0.00 C ATOM 605 CD ARG A 37 5.340 15.701 -4.847 1.00 0.00 C ATOM 606 NE ARG A 37 5.439 17.176 -4.917 1.00 0.00 N ATOM 607 CZ ARG A 37 4.439 17.978 -5.306 1.00 0.00 C ATOM 608 NH1 ARG A 37 3.259 17.453 -5.662 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.619 19.306 -5.338 1.00 0.00 N ATOM 0 H ARG A 37 5.286 13.564 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 37 7.573 13.615 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.295 15.446 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.673 15.653 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.703 14.074 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.411 15.662 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.750 15.328 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.821 15.406 -3.935 1.00 0.00 H new ATOM 0 HE ARG A 37 6.324 17.609 -4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.122 16.443 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.498 18.064 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.517 19.706 -5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.858 19.917 -5.634 1.00 0.00 H new ATOM 623 N GLU A 38 9.548 13.358 -5.971 1.00 0.00 N ATOM 624 CA GLU A 38 10.637 12.706 -5.264 1.00 0.00 C ATOM 625 C GLU A 38 10.531 12.975 -3.761 1.00 0.00 C ATOM 626 O GLU A 38 11.358 12.503 -2.982 1.00 0.00 O ATOM 627 CB GLU A 38 11.993 13.160 -5.807 1.00 0.00 C ATOM 628 CG GLU A 38 12.089 12.916 -7.315 1.00 0.00 C ATOM 629 CD GLU A 38 12.887 14.027 -8.000 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.276 15.086 -8.262 1.00 0.00 O ATOM 631 OE2 GLU A 38 14.090 13.793 -8.246 1.00 0.00 O ATOM 0 H GLU A 38 9.785 14.263 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 38 10.558 11.631 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.137 14.220 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.792 12.622 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.565 11.953 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.088 12.865 -7.743 1.00 0.00 H new ATOM 638 N ASP A 39 9.506 13.733 -3.399 1.00 0.00 N ATOM 639 CA ASP A 39 9.281 14.071 -2.004 1.00 0.00 C ATOM 640 C ASP A 39 7.809 13.837 -1.658 1.00 0.00 C ATOM 641 O ASP A 39 7.259 14.507 -0.785 1.00 0.00 O ATOM 642 CB ASP A 39 9.603 15.542 -1.734 1.00 0.00 C ATOM 643 CG ASP A 39 10.455 15.800 -0.490 1.00 0.00 C ATOM 644 OD1 ASP A 39 11.105 14.834 -0.037 1.00 0.00 O ATOM 645 OD2 ASP A 39 10.436 16.959 -0.020 1.00 0.00 O ATOM 0 H ASP A 39 8.822 14.123 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 39 9.932 13.443 -1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.121 15.950 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.667 16.091 -1.635 1.00 0.00 H new ATOM 650 N SER A 40 7.213 12.885 -2.361 1.00 0.00 N ATOM 651 CA SER A 40 5.816 12.555 -2.139 1.00 0.00 C ATOM 652 C SER A 40 5.705 11.262 -1.330 1.00 0.00 C ATOM 653 O SER A 40 6.678 10.519 -1.204 1.00 0.00 O ATOM 654 CB SER A 40 5.065 12.417 -3.466 1.00 0.00 C ATOM 655 OG SER A 40 3.809 11.765 -3.303 1.00 0.00 O ATOM 0 H SER A 40 7.672 12.332 -3.085 1.00 0.00 H new ATOM 0 HA SER A 40 5.358 13.368 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.907 13.405 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.676 11.855 -4.172 1.00 0.00 H new ATOM 0 HG SER A 40 3.360 11.698 -4.172 1.00 0.00 H new ATOM 661 N ASP A 41 4.512 11.032 -0.802 1.00 0.00 N ATOM 662 CA ASP A 41 4.262 9.841 -0.008 1.00 0.00 C ATOM 663 C ASP A 41 3.506 8.817 -0.856 1.00 0.00 C ATOM 664 O ASP A 41 2.918 9.166 -1.878 1.00 0.00 O ATOM 665 CB ASP A 41 3.405 10.165 1.217 1.00 0.00 C ATOM 666 CG ASP A 41 2.846 8.948 1.957 1.00 0.00 C ATOM 667 OD1 ASP A 41 3.625 8.344 2.725 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.653 8.649 1.736 1.00 0.00 O ATOM 0 H ASP A 41 3.708 11.650 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 41 5.224 9.446 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.003 10.752 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.572 10.794 0.903 1.00 0.00 H new ATOM 673 N LEU A 42 3.546 7.573 -0.401 1.00 0.00 N ATOM 674 CA LEU A 42 2.872 6.496 -1.106 1.00 0.00 C ATOM 675 C LEU A 42 1.737 5.955 -0.234 1.00 0.00 C ATOM 676 O LEU A 42 1.974 5.471 0.872 1.00 0.00 O ATOM 677 CB LEU A 42 3.878 5.428 -1.539 1.00 0.00 C ATOM 678 CG LEU A 42 3.291 4.060 -1.897 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.924 3.274 -0.637 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.102 4.206 -2.849 1.00 0.00 C ATOM 0 H LEU A 42 4.035 7.287 0.447 1.00 0.00 H new ATOM 0 HA LEU A 42 2.419 6.866 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.427 5.803 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.602 5.292 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 42 4.055 3.487 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.509 2.306 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.816 3.123 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.184 3.832 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.704 3.220 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.326 4.805 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.428 4.697 -3.766 1.00 0.00 H new ATOM 692 N ASP A 43 0.527 6.054 -0.766 1.00 0.00 N ATOM 693 CA ASP A 43 -0.646 5.580 -0.051 1.00 0.00 C ATOM 694 C ASP A 43 -1.023 4.189 -0.564 1.00 0.00 C ATOM 695 O ASP A 43 -1.215 3.997 -1.764 1.00 0.00 O ATOM 696 CB ASP A 43 -1.841 6.508 -0.277 1.00 0.00 C ATOM 697 CG ASP A 43 -1.683 7.917 0.298 1.00 0.00 C ATOM 698 OD1 ASP A 43 -2.028 8.086 1.488 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.221 8.793 -0.465 1.00 0.00 O ATOM 0 H ASP A 43 0.334 6.455 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.406 5.554 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.023 6.587 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.726 6.049 0.163 1.00 0.00 H new ATOM 704 N LEU A 44 -1.119 3.254 0.370 1.00 0.00 N ATOM 705 CA LEU A 44 -1.471 1.887 0.027 1.00 0.00 C ATOM 706 C LEU A 44 -2.611 1.416 0.932 1.00 0.00 C ATOM 707 O LEU A 44 -2.503 1.476 2.155 1.00 0.00 O ATOM 708 CB LEU A 44 -0.234 0.987 0.077 1.00 0.00 C ATOM 709 CG LEU A 44 0.158 0.311 -1.238 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.567 1.347 -2.287 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.248 -0.738 -1.013 1.00 0.00 C ATOM 0 H LEU A 44 -0.959 3.417 1.364 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.835 1.833 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.611 1.583 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.403 0.212 0.824 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.716 -0.212 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.841 0.840 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.268 2.022 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.420 1.919 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.508 -1.203 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.131 -0.260 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.883 -1.500 -0.324 1.00 0.00 H new ATOM 723 N LEU A 45 -3.678 0.956 0.294 1.00 0.00 N ATOM 724 CA LEU A 45 -4.837 0.475 1.026 1.00 0.00 C ATOM 725 C LEU A 45 -4.796 -1.053 1.090 1.00 0.00 C ATOM 726 O LEU A 45 -4.943 -1.725 0.070 1.00 0.00 O ATOM 727 CB LEU A 45 -6.125 1.031 0.415 1.00 0.00 C ATOM 728 CG LEU A 45 -7.414 0.741 1.188 1.00 0.00 C ATOM 729 CD1 LEU A 45 -8.180 -0.424 0.560 1.00 0.00 C ATOM 730 CD2 LEU A 45 -7.122 0.502 2.671 1.00 0.00 C ATOM 0 H LEU A 45 -3.764 0.906 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.817 0.838 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.020 2.111 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.230 0.627 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.056 1.620 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.091 -0.609 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.439 -0.177 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.557 -1.318 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.055 0.298 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.452 -0.351 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.651 1.388 3.097 1.00 0.00 H new ATOM 742 N VAL A 46 -4.596 -1.558 2.299 1.00 0.00 N ATOM 743 CA VAL A 46 -4.534 -2.994 2.509 1.00 0.00 C ATOM 744 C VAL A 46 -5.531 -3.389 3.600 1.00 0.00 C ATOM 745 O VAL A 46 -5.949 -2.551 4.397 1.00 0.00 O ATOM 746 CB VAL A 46 -3.099 -3.415 2.830 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.333 -3.769 1.553 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.372 -2.325 3.621 1.00 0.00 C ATOM 0 H VAL A 46 -4.475 -0.998 3.143 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.818 -3.525 1.601 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.143 -4.308 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.316 -4.065 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.834 -4.593 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.303 -2.901 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.354 -2.649 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.344 -1.407 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.900 -2.141 4.557 1.00 0.00 H new ATOM 758 N ALA A 47 -5.884 -4.666 3.601 1.00 0.00 N ATOM 759 CA ALA A 47 -6.824 -5.182 4.581 1.00 0.00 C ATOM 760 C ALA A 47 -6.176 -6.341 5.342 1.00 0.00 C ATOM 761 O ALA A 47 -5.793 -7.345 4.743 1.00 0.00 O ATOM 762 CB ALA A 47 -8.118 -5.598 3.879 1.00 0.00 C ATOM 0 H ALA A 47 -5.536 -5.359 2.938 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.081 -4.412 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.823 -5.985 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.554 -4.734 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.900 -6.372 3.143 1.00 0.00 H new ATOM 768 N PHE A 48 -6.073 -6.163 6.651 1.00 0.00 N ATOM 769 CA PHE A 48 -5.478 -7.181 7.500 1.00 0.00 C ATOM 770 C PHE A 48 -6.547 -8.119 8.064 1.00 0.00 C ATOM 771 O PHE A 48 -7.548 -7.664 8.616 1.00 0.00 O ATOM 772 CB PHE A 48 -4.792 -6.453 8.658 1.00 0.00 C ATOM 773 CG PHE A 48 -3.639 -5.545 8.227 1.00 0.00 C ATOM 774 CD1 PHE A 48 -2.407 -6.073 7.997 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.847 -4.210 8.073 1.00 0.00 C ATOM 776 CE1 PHE A 48 -1.337 -5.229 7.597 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.777 -3.366 7.672 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.544 -3.894 7.443 1.00 0.00 C ATOM 0 H PHE A 48 -6.392 -5.329 7.144 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.775 -7.781 6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.533 -5.855 9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.414 -7.192 9.365 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.242 -7.133 8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.826 -3.791 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.358 -5.648 7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.942 -2.306 7.549 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.730 -3.253 7.139 1.00 0.00 H new ATOM 788 N GLU A 49 -6.299 -9.411 7.907 1.00 0.00 N ATOM 789 CA GLU A 49 -7.228 -10.416 8.394 1.00 0.00 C ATOM 790 C GLU A 49 -7.528 -10.188 9.877 1.00 0.00 C ATOM 791 O GLU A 49 -7.134 -9.170 10.444 1.00 0.00 O ATOM 792 CB GLU A 49 -6.685 -11.826 8.155 1.00 0.00 C ATOM 793 CG GLU A 49 -6.484 -12.090 6.661 1.00 0.00 C ATOM 794 CD GLU A 49 -7.751 -11.758 5.870 1.00 0.00 C ATOM 795 OE1 GLU A 49 -7.877 -10.581 5.468 1.00 0.00 O ATOM 796 OE2 GLU A 49 -8.565 -12.688 5.686 1.00 0.00 O ATOM 0 H GLU A 49 -5.468 -9.785 7.449 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.160 -10.322 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.738 -11.949 8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.376 -12.561 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.652 -11.490 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.217 -13.135 6.505 1.00 0.00 H new ATOM 803 N GLU A 50 -8.222 -11.152 10.462 1.00 0.00 N ATOM 804 CA GLU A 50 -8.579 -11.070 11.868 1.00 0.00 C ATOM 805 C GLU A 50 -7.510 -11.746 12.728 1.00 0.00 C ATOM 806 O GLU A 50 -7.752 -12.061 13.893 1.00 0.00 O ATOM 807 CB GLU A 50 -9.957 -11.685 12.121 1.00 0.00 C ATOM 808 CG GLU A 50 -10.978 -11.183 11.098 1.00 0.00 C ATOM 809 CD GLU A 50 -11.996 -12.274 10.759 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.549 -13.423 10.551 1.00 0.00 O ATOM 811 OE2 GLU A 50 -13.198 -11.935 10.717 1.00 0.00 O ATOM 0 H GLU A 50 -8.547 -11.995 9.988 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.630 -10.018 12.149 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.889 -12.772 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.292 -11.434 13.127 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.495 -10.309 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.464 -10.866 10.191 1.00 0.00 H new ATOM 818 N GLY A 51 -6.350 -11.951 12.122 1.00 0.00 N ATOM 819 CA GLY A 51 -5.243 -12.584 12.817 1.00 0.00 C ATOM 820 C GLY A 51 -3.956 -11.773 12.653 1.00 0.00 C ATOM 821 O GLY A 51 -2.866 -12.339 12.582 1.00 0.00 O ATOM 0 H GLY A 51 -6.153 -11.689 11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.482 -12.682 13.876 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.094 -13.592 12.429 1.00 0.00 H new ATOM 825 N ARG A 52 -4.125 -10.460 12.598 1.00 0.00 N ATOM 826 CA ARG A 52 -2.991 -9.566 12.444 1.00 0.00 C ATOM 827 C ARG A 52 -3.059 -8.439 13.477 1.00 0.00 C ATOM 828 O ARG A 52 -4.125 -8.153 14.019 1.00 0.00 O ATOM 829 CB ARG A 52 -2.954 -8.959 11.040 1.00 0.00 C ATOM 830 CG ARG A 52 -3.194 -10.030 9.974 1.00 0.00 C ATOM 831 CD ARG A 52 -2.009 -10.995 9.890 1.00 0.00 C ATOM 832 NE ARG A 52 -2.317 -12.095 8.949 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.459 -13.073 8.629 1.00 0.00 C ATOM 834 NH1 ARG A 52 -0.235 -13.094 9.173 1.00 0.00 N ATOM 835 NH2 ARG A 52 -1.825 -14.030 7.766 1.00 0.00 N ATOM 0 H ARG A 52 -5.030 -9.994 12.657 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.085 -10.152 12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.713 -8.181 10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.988 -8.482 10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.103 -10.584 10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.351 -9.555 9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.118 -10.462 9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.789 -11.401 10.877 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.241 -12.109 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.043 -12.366 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.419 -13.838 8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.757 -14.014 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.171 -14.774 7.523 1.00 0.00 H new ATOM 849 N THR A 53 -1.907 -7.831 13.719 1.00 0.00 N ATOM 850 CA THR A 53 -1.822 -6.742 14.677 1.00 0.00 C ATOM 851 C THR A 53 -1.124 -5.533 14.051 1.00 0.00 C ATOM 852 O THR A 53 -0.548 -5.636 12.969 1.00 0.00 O ATOM 853 CB THR A 53 -1.119 -7.268 15.930 1.00 0.00 C ATOM 854 OG1 THR A 53 0.123 -7.771 15.445 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.814 -8.497 16.519 1.00 0.00 C ATOM 0 H THR A 53 -1.024 -8.072 13.268 1.00 0.00 H new ATOM 0 HA THR A 53 -2.813 -6.392 14.966 1.00 0.00 H new ATOM 0 HB THR A 53 -1.078 -6.479 16.681 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.645 -8.131 16.193 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.275 -8.830 17.406 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.838 -8.240 16.792 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.825 -9.298 15.780 1.00 0.00 H new ATOM 863 N LEU A 54 -1.198 -4.415 14.758 1.00 0.00 N ATOM 864 CA LEU A 54 -0.580 -3.188 14.285 1.00 0.00 C ATOM 865 C LEU A 54 0.928 -3.404 14.143 1.00 0.00 C ATOM 866 O LEU A 54 1.563 -2.815 13.270 1.00 0.00 O ATOM 867 CB LEU A 54 -0.951 -2.016 15.196 1.00 0.00 C ATOM 868 CG LEU A 54 -1.424 -0.743 14.492 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.328 -0.178 13.586 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.727 -0.990 13.729 1.00 0.00 C ATOM 0 H LEU A 54 -1.677 -4.333 15.655 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.959 -2.926 13.297 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.737 -2.345 15.876 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.083 -1.768 15.808 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.634 0.010 15.252 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.690 0.727 13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.552 0.060 14.184 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.064 -0.917 12.830 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.041 -0.069 13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.568 -1.765 12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.501 -1.312 14.426 1.00 0.00 H new ATOM 882 N LEU A 55 1.458 -4.249 15.015 1.00 0.00 N ATOM 883 CA LEU A 55 2.879 -4.549 14.998 1.00 0.00 C ATOM 884 C LEU A 55 3.278 -5.028 13.601 1.00 0.00 C ATOM 885 O LEU A 55 4.313 -4.623 13.074 1.00 0.00 O ATOM 886 CB LEU A 55 3.232 -5.538 16.111 1.00 0.00 C ATOM 887 CG LEU A 55 4.303 -5.079 17.102 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.637 -4.834 16.393 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.836 -3.850 17.884 1.00 0.00 C ATOM 0 H LEU A 55 0.928 -4.735 15.738 1.00 0.00 H new ATOM 0 HA LEU A 55 3.460 -3.650 15.206 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.324 -5.766 16.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.566 -6.468 15.651 1.00 0.00 H new ATOM 0 HG LEU A 55 4.464 -5.879 17.825 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.381 -4.509 17.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.972 -5.757 15.919 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.509 -4.062 15.634 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.616 -3.544 18.581 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.629 -3.035 17.191 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.929 -4.094 18.438 1.00 0.00 H new ATOM 901 N ASP A 56 2.436 -5.884 13.041 1.00 0.00 N ATOM 902 CA ASP A 56 2.687 -6.422 11.715 1.00 0.00 C ATOM 903 C ASP A 56 2.494 -5.317 10.675 1.00 0.00 C ATOM 904 O ASP A 56 3.218 -5.261 9.682 1.00 0.00 O ATOM 905 CB ASP A 56 1.713 -7.556 11.387 1.00 0.00 C ATOM 906 CG ASP A 56 2.202 -8.541 10.323 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.774 -8.058 9.322 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.993 -9.755 10.535 1.00 0.00 O ATOM 0 H ASP A 56 1.579 -6.218 13.482 1.00 0.00 H new ATOM 0 HA ASP A 56 3.707 -6.806 11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.501 -8.109 12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.771 -7.121 11.052 1.00 0.00 H new ATOM 913 N HIS A 57 1.515 -4.465 10.939 1.00 0.00 N ATOM 914 CA HIS A 57 1.218 -3.364 10.039 1.00 0.00 C ATOM 915 C HIS A 57 2.457 -2.480 9.882 1.00 0.00 C ATOM 916 O HIS A 57 2.880 -2.191 8.764 1.00 0.00 O ATOM 917 CB HIS A 57 -0.009 -2.585 10.519 1.00 0.00 C ATOM 918 CG HIS A 57 -1.267 -3.416 10.609 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.440 -4.767 10.679 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.533 -2.858 10.635 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.741 -5.021 10.745 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -3.420 -3.839 10.718 1.00 0.00 N flip ATOM 0 H HIS A 57 0.917 -4.515 11.764 1.00 0.00 H new ATOM 0 HA HIS A 57 0.966 -3.754 9.053 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.204 -2.160 11.500 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.185 -1.750 9.841 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.760 -1.803 10.595 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.188 -6.002 10.809 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.433 -3.729 10.755 1.00 0.00 H new ATOM 930 N ALA A 58 3.004 -2.076 11.019 1.00 0.00 N ATOM 931 CA ALA A 58 4.186 -1.231 11.022 1.00 0.00 C ATOM 932 C ALA A 58 5.371 -2.018 10.459 1.00 0.00 C ATOM 933 O ALA A 58 6.183 -1.474 9.711 1.00 0.00 O ATOM 934 CB ALA A 58 4.446 -0.721 12.441 1.00 0.00 C ATOM 0 H ALA A 58 2.650 -2.318 11.945 1.00 0.00 H new ATOM 0 HA ALA A 58 4.036 -0.359 10.385 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.333 -0.087 12.443 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.587 -0.144 12.783 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.604 -1.568 13.109 1.00 0.00 H new ATOM 940 N ARG A 59 5.433 -3.286 10.839 1.00 0.00 N ATOM 941 CA ARG A 59 6.506 -4.153 10.382 1.00 0.00 C ATOM 942 C ARG A 59 6.453 -4.305 8.860 1.00 0.00 C ATOM 943 O ARG A 59 7.489 -4.418 8.208 1.00 0.00 O ATOM 944 CB ARG A 59 6.410 -5.535 11.029 1.00 0.00 C ATOM 945 CG ARG A 59 7.126 -5.558 12.381 1.00 0.00 C ATOM 946 CD ARG A 59 8.598 -5.942 12.215 1.00 0.00 C ATOM 947 NE ARG A 59 9.252 -6.024 13.541 1.00 0.00 N ATOM 948 CZ ARG A 59 9.065 -7.026 14.410 1.00 0.00 C ATOM 949 NH1 ARG A 59 8.242 -8.037 14.099 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.700 -7.018 15.589 1.00 0.00 N ATOM 0 H ARG A 59 4.757 -3.734 11.458 1.00 0.00 H new ATOM 0 HA ARG A 59 7.451 -3.693 10.672 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.363 -5.806 11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.850 -6.282 10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.053 -4.578 12.852 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.634 -6.268 13.045 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.677 -6.900 11.701 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.107 -5.205 11.594 1.00 0.00 H new ATOM 0 HE ARG A 59 9.885 -5.270 13.809 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.758 -8.043 13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.099 -8.800 14.760 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.326 -6.249 15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.557 -7.781 16.250 1.00 0.00 H new ATOM 964 N LEU A 60 5.234 -4.303 8.339 1.00 0.00 N ATOM 965 CA LEU A 60 5.033 -4.439 6.907 1.00 0.00 C ATOM 966 C LEU A 60 5.486 -3.156 6.208 1.00 0.00 C ATOM 967 O LEU A 60 6.016 -3.203 5.099 1.00 0.00 O ATOM 968 CB LEU A 60 3.583 -4.825 6.604 1.00 0.00 C ATOM 969 CG LEU A 60 3.336 -5.494 5.251 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.898 -5.265 4.781 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.359 -5.027 4.213 1.00 0.00 C ATOM 0 H LEU A 60 4.376 -4.209 8.883 1.00 0.00 H new ATOM 0 HA LEU A 60 5.645 -5.250 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.235 -5.497 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.969 -3.926 6.660 1.00 0.00 H new ATOM 0 HG LEU A 60 3.468 -6.569 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.749 -5.751 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.206 -5.685 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.714 -4.195 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.161 -5.518 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.283 -3.947 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.363 -5.283 4.551 1.00 0.00 H new ATOM 983 N LYS A 61 5.261 -2.040 6.885 1.00 0.00 N ATOM 984 CA LYS A 61 5.640 -0.746 6.343 1.00 0.00 C ATOM 985 C LYS A 61 7.165 -0.662 6.254 1.00 0.00 C ATOM 986 O LYS A 61 7.704 -0.087 5.309 1.00 0.00 O ATOM 987 CB LYS A 61 5.009 0.383 7.160 1.00 0.00 C ATOM 988 CG LYS A 61 6.034 1.016 8.104 1.00 0.00 C ATOM 989 CD LYS A 61 6.834 2.109 7.391 1.00 0.00 C ATOM 990 CE LYS A 61 7.652 2.929 8.390 1.00 0.00 C ATOM 991 NZ LYS A 61 9.101 2.727 8.163 1.00 0.00 N ATOM 0 H LYS A 61 4.821 -2.005 7.804 1.00 0.00 H new ATOM 0 HA LYS A 61 5.254 -0.630 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.610 1.143 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.170 -0.006 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.524 1.439 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.712 0.249 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.499 1.657 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.155 2.765 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.406 3.986 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.393 2.637 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.559 2.461 9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.241 1.970 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.523 3.608 7.807 1.00 0.00 H new ATOM 1005 N LEU A 62 7.817 -1.244 7.249 1.00 0.00 N ATOM 1006 CA LEU A 62 9.270 -1.242 7.295 1.00 0.00 C ATOM 1007 C LEU A 62 9.813 -2.084 6.139 1.00 0.00 C ATOM 1008 O LEU A 62 10.895 -1.811 5.622 1.00 0.00 O ATOM 1009 CB LEU A 62 9.763 -1.695 8.671 1.00 0.00 C ATOM 1010 CG LEU A 62 9.798 -0.619 9.758 1.00 0.00 C ATOM 1011 CD1 LEU A 62 8.518 -0.645 10.596 1.00 0.00 C ATOM 1012 CD2 LEU A 62 11.052 -0.754 10.623 1.00 0.00 C ATOM 0 H LEU A 62 7.366 -1.720 8.030 1.00 0.00 H new ATOM 0 HA LEU A 62 9.654 -0.231 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.125 -2.509 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.767 -2.103 8.559 1.00 0.00 H new ATOM 0 HG LEU A 62 9.846 0.356 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.568 0.129 11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.658 -0.463 9.952 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.415 -1.620 11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.052 0.023 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.061 -1.734 11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.938 -0.648 9.998 1.00 0.00 H new ATOM 1024 N ALA A 63 9.037 -3.092 5.767 1.00 0.00 N ATOM 1025 CA ALA A 63 9.426 -3.976 4.682 1.00 0.00 C ATOM 1026 C ALA A 63 9.284 -3.235 3.351 1.00 0.00 C ATOM 1027 O ALA A 63 10.170 -3.304 2.500 1.00 0.00 O ATOM 1028 CB ALA A 63 8.582 -5.251 4.734 1.00 0.00 C ATOM 0 H ALA A 63 8.140 -3.316 6.198 1.00 0.00 H new ATOM 0 HA ALA A 63 10.470 -4.273 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.874 -5.914 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.742 -5.755 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.528 -4.994 4.632 1.00 0.00 H new ATOM 1034 N LEU A 64 8.161 -2.545 3.211 1.00 0.00 N ATOM 1035 CA LEU A 64 7.891 -1.793 1.998 1.00 0.00 C ATOM 1036 C LEU A 64 8.922 -0.671 1.858 1.00 0.00 C ATOM 1037 O LEU A 64 9.424 -0.417 0.765 1.00 0.00 O ATOM 1038 CB LEU A 64 6.442 -1.301 1.983 1.00 0.00 C ATOM 1039 CG LEU A 64 5.373 -2.359 2.262 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.096 -2.070 1.470 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.909 -3.766 1.990 1.00 0.00 C ATOM 0 H LEU A 64 7.428 -2.491 3.918 1.00 0.00 H new ATOM 0 HA LEU A 64 7.995 -2.434 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.341 -0.507 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.240 -0.857 1.008 1.00 0.00 H new ATOM 0 HG LEU A 64 5.114 -2.312 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.352 -2.837 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.704 -1.094 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.321 -2.073 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.129 -4.499 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.213 -3.844 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.767 -3.959 2.633 1.00 0.00 H new ATOM 1053 N GLU A 65 9.208 -0.030 2.982 1.00 0.00 N ATOM 1054 CA GLU A 65 10.170 1.059 2.999 1.00 0.00 C ATOM 1055 C GLU A 65 11.542 0.562 2.541 1.00 0.00 C ATOM 1056 O GLU A 65 12.275 1.284 1.867 1.00 0.00 O ATOM 1057 CB GLU A 65 10.253 1.696 4.387 1.00 0.00 C ATOM 1058 CG GLU A 65 9.211 2.806 4.544 1.00 0.00 C ATOM 1059 CD GLU A 65 9.764 3.963 5.379 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.990 4.191 5.291 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.948 4.593 6.087 1.00 0.00 O ATOM 0 H GLU A 65 8.790 -0.244 3.888 1.00 0.00 H new ATOM 0 HA GLU A 65 9.832 1.827 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.096 0.934 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.251 2.104 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.913 3.172 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.316 2.405 5.019 1.00 0.00 H new ATOM 1068 N GLY A 66 11.849 -0.668 2.926 1.00 0.00 N ATOM 1069 CA GLY A 66 13.121 -1.271 2.564 1.00 0.00 C ATOM 1070 C GLY A 66 13.140 -1.662 1.085 1.00 0.00 C ATOM 1071 O GLY A 66 14.067 -1.309 0.358 1.00 0.00 O ATOM 0 H GLY A 66 11.239 -1.264 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.931 -0.571 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.298 -2.153 3.180 1.00 0.00 H new ATOM 1075 N LEU A 67 12.106 -2.387 0.684 1.00 0.00 N ATOM 1076 CA LEU A 67 11.993 -2.831 -0.695 1.00 0.00 C ATOM 1077 C LEU A 67 11.843 -1.612 -1.607 1.00 0.00 C ATOM 1078 O LEU A 67 12.500 -1.523 -2.644 1.00 0.00 O ATOM 1079 CB LEU A 67 10.861 -3.850 -0.839 1.00 0.00 C ATOM 1080 CG LEU A 67 11.289 -5.297 -1.088 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.285 -6.102 0.213 1.00 0.00 C ATOM 1082 CD2 LEU A 67 10.421 -5.948 -2.167 1.00 0.00 C ATOM 0 H LEU A 67 11.339 -2.678 1.290 1.00 0.00 H new ATOM 0 HA LEU A 67 12.900 -3.351 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.256 -3.822 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.218 -3.536 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 67 12.314 -5.290 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.593 -7.127 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.978 -5.650 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.281 -6.103 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.747 -6.976 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.379 -5.942 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.519 -5.390 -3.098 1.00 0.00 H new ATOM 1094 N LEU A 68 10.975 -0.703 -1.189 1.00 0.00 N ATOM 1095 CA LEU A 68 10.730 0.507 -1.956 1.00 0.00 C ATOM 1096 C LEU A 68 11.828 1.529 -1.652 1.00 0.00 C ATOM 1097 O LEU A 68 11.968 2.524 -2.361 1.00 0.00 O ATOM 1098 CB LEU A 68 9.315 1.029 -1.696 1.00 0.00 C ATOM 1099 CG LEU A 68 8.172 0.100 -2.109 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.580 -1.368 -1.971 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.898 0.417 -1.323 1.00 0.00 C ATOM 0 H LEU A 68 10.432 -0.780 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 68 10.776 0.297 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.217 1.242 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.196 1.976 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 68 7.953 0.275 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.749 -2.006 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.440 -1.568 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.842 -1.577 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.101 -0.257 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.086 0.287 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.598 1.447 -1.516 1.00 0.00 H new ATOM 1113 N GLY A 69 12.578 1.248 -0.597 1.00 0.00 N ATOM 1114 CA GLY A 69 13.659 2.130 -0.191 1.00 0.00 C ATOM 1115 C GLY A 69 13.176 3.578 -0.091 1.00 0.00 C ATOM 1116 O GLY A 69 13.980 4.508 -0.128 1.00 0.00 O ATOM 0 H GLY A 69 12.459 0.422 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.054 1.807 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.476 2.064 -0.909 1.00 0.00 H new ATOM 1120 N VAL A 70 11.865 3.724 0.035 1.00 0.00 N ATOM 1121 CA VAL A 70 11.266 5.044 0.140 1.00 0.00 C ATOM 1122 C VAL A 70 10.105 4.993 1.135 1.00 0.00 C ATOM 1123 O VAL A 70 9.628 3.914 1.484 1.00 0.00 O ATOM 1124 CB VAL A 70 10.846 5.540 -1.245 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.033 5.542 -2.210 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.689 4.705 -1.798 1.00 0.00 C ATOM 0 H VAL A 70 11.201 2.950 0.067 1.00 0.00 H new ATOM 0 HA VAL A 70 11.990 5.764 0.521 1.00 0.00 H new ATOM 0 HB VAL A 70 10.498 6.568 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.707 5.899 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.813 6.199 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.426 4.530 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.409 5.078 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.998 3.663 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.834 4.778 -1.126 1.00 0.00 H new ATOM 1136 N ARG A 71 9.683 6.174 1.564 1.00 0.00 N ATOM 1137 CA ARG A 71 8.587 6.278 2.512 1.00 0.00 C ATOM 1138 C ARG A 71 7.353 5.546 1.980 1.00 0.00 C ATOM 1139 O ARG A 71 7.038 5.636 0.794 1.00 0.00 O ATOM 1140 CB ARG A 71 8.228 7.741 2.780 1.00 0.00 C ATOM 1141 CG ARG A 71 9.329 8.438 3.581 1.00 0.00 C ATOM 1142 CD ARG A 71 8.792 9.690 4.277 1.00 0.00 C ATOM 1143 NE ARG A 71 7.817 9.309 5.324 1.00 0.00 N ATOM 1144 CZ ARG A 71 8.147 8.708 6.475 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.429 8.417 6.735 1.00 0.00 N ATOM 1146 NH2 ARG A 71 7.196 8.399 7.366 1.00 0.00 N ATOM 0 H ARG A 71 10.081 7.067 1.272 1.00 0.00 H new ATOM 0 HA ARG A 71 8.911 5.818 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.077 8.261 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.287 7.794 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.734 7.750 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.150 8.710 2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.615 10.250 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.317 10.346 3.548 1.00 0.00 H new ATOM 0 HE ARG A 71 6.832 9.517 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.153 8.653 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.681 7.959 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.220 8.621 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.447 7.941 8.242 1.00 0.00 H new ATOM 1160 N VAL A 72 6.689 4.839 2.881 1.00 0.00 N ATOM 1161 CA VAL A 72 5.497 4.092 2.517 1.00 0.00 C ATOM 1162 C VAL A 72 4.397 4.362 3.546 1.00 0.00 C ATOM 1163 O VAL A 72 4.666 4.427 4.744 1.00 0.00 O ATOM 1164 CB VAL A 72 5.833 2.606 2.377 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.570 1.780 2.124 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.867 2.380 1.272 1.00 0.00 C ATOM 0 H VAL A 72 6.954 4.767 3.863 1.00 0.00 H new ATOM 0 HA VAL A 72 5.122 4.419 1.547 1.00 0.00 H new ATOM 0 HB VAL A 72 6.269 2.271 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.837 0.727 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.880 1.905 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.092 2.118 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.088 1.316 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.470 2.739 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.781 2.924 1.512 1.00 0.00 H new ATOM 1176 N ASP A 73 3.182 4.512 3.040 1.00 0.00 N ATOM 1177 CA ASP A 73 2.040 4.773 3.900 1.00 0.00 C ATOM 1178 C ASP A 73 0.993 3.675 3.698 1.00 0.00 C ATOM 1179 O ASP A 73 0.379 3.587 2.637 1.00 0.00 O ATOM 1180 CB ASP A 73 1.390 6.115 3.560 1.00 0.00 C ATOM 1181 CG ASP A 73 0.685 6.807 4.728 1.00 0.00 C ATOM 1182 OD1 ASP A 73 -0.441 6.372 5.051 1.00 0.00 O ATOM 1183 OD2 ASP A 73 1.289 7.757 5.272 1.00 0.00 O ATOM 0 H ASP A 73 2.963 4.458 2.045 1.00 0.00 H new ATOM 0 HA ASP A 73 2.392 4.794 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.157 6.784 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.667 5.959 2.760 1.00 0.00 H new ATOM 1188 N ILE A 74 0.823 2.867 4.734 1.00 0.00 N ATOM 1189 CA ILE A 74 -0.139 1.779 4.684 1.00 0.00 C ATOM 1190 C ILE A 74 -1.401 2.184 5.449 1.00 0.00 C ATOM 1191 O ILE A 74 -1.322 2.884 6.458 1.00 0.00 O ATOM 1192 CB ILE A 74 0.494 0.481 5.186 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.781 0.166 4.421 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.505 -0.676 5.126 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.446 -1.101 4.962 1.00 0.00 C ATOM 0 H ILE A 74 1.335 2.944 5.613 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.439 1.583 3.655 1.00 0.00 H new ATOM 0 HB ILE A 74 0.766 0.618 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.557 0.039 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.471 1.006 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.029 -1.587 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.368 -0.444 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.831 -0.822 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.358 -1.301 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.691 -0.962 6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.763 -1.944 4.857 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.535 1.727 4.940 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.812 2.033 5.563 1.00 0.00 C ATOM 1209 C VAL A 75 -4.664 0.763 5.620 1.00 0.00 C ATOM 1210 O VAL A 75 -4.601 -0.072 4.719 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.497 3.179 4.816 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.965 3.303 5.230 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.752 4.498 5.034 1.00 0.00 C ATOM 0 H VAL A 75 -2.597 1.147 4.103 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.665 2.373 6.588 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.468 2.950 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.429 4.125 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.488 2.374 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.026 3.498 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.259 5.296 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.735 4.735 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.730 4.403 4.667 1.00 0.00 H new ATOM 1223 N SER A 76 -5.441 0.657 6.688 1.00 0.00 N ATOM 1224 CA SER A 76 -6.304 -0.496 6.874 1.00 0.00 C ATOM 1225 C SER A 76 -7.765 -0.098 6.654 1.00 0.00 C ATOM 1226 O SER A 76 -8.236 0.885 7.225 1.00 0.00 O ATOM 1227 CB SER A 76 -6.122 -1.101 8.268 1.00 0.00 C ATOM 1228 OG SER A 76 -5.828 -0.108 9.246 1.00 0.00 O ATOM 0 H SER A 76 -5.491 1.351 7.434 1.00 0.00 H new ATOM 0 HA SER A 76 -6.026 -1.253 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.029 -1.634 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.316 -1.835 8.243 1.00 0.00 H new ATOM 0 HG SER A 76 -5.721 -0.534 10.122 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.441 -0.881 5.826 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.838 -0.622 5.525 1.00 0.00 C ATOM 1236 C GLU A 77 -10.625 -0.386 6.816 1.00 0.00 C ATOM 1237 O GLU A 77 -11.473 0.503 6.876 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.446 -1.769 4.714 1.00 0.00 C ATOM 1239 CG GLU A 77 -10.166 -1.592 3.220 1.00 0.00 C ATOM 1240 CD GLU A 77 -9.326 -2.751 2.679 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -8.093 -2.702 2.884 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.934 -3.659 2.074 1.00 0.00 O ATOM 0 H GLU A 77 -8.047 -1.695 5.354 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.897 0.281 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.034 -2.719 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.522 -1.809 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.108 -1.535 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.643 -0.650 3.053 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.316 -1.198 7.816 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.984 -1.089 9.102 1.00 0.00 C ATOM 1251 C ARG A 78 -10.696 0.274 9.736 1.00 0.00 C ATOM 1252 O ARG A 78 -11.464 0.749 10.571 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.526 -2.194 10.056 1.00 0.00 C ATOM 1254 CG ARG A 78 -8.999 -2.248 10.139 1.00 0.00 C ATOM 1255 CD ARG A 78 -8.545 -3.080 11.341 1.00 0.00 C ATOM 1256 NE ARG A 78 -7.846 -2.217 12.319 1.00 0.00 N ATOM 1257 CZ ARG A 78 -8.456 -1.575 13.325 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -9.780 -1.695 13.491 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -7.741 -0.814 14.164 1.00 0.00 N ATOM 0 H ARG A 78 -9.612 -1.934 7.762 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.055 -1.194 8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.942 -2.018 11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.910 -3.156 9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.596 -2.677 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.599 -1.237 10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.406 -3.554 11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.882 -3.880 11.011 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.837 -2.104 12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.324 -2.275 12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.244 -1.206 14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.733 -0.723 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.205 -0.325 14.930 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.587 0.864 9.314 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.188 2.163 9.830 1.00 0.00 C ATOM 1275 C GLY A 79 -9.645 3.287 8.898 1.00 0.00 C ATOM 1276 O GLY A 79 -9.671 4.452 9.291 1.00 0.00 O ATOM 0 H GLY A 79 -8.953 0.467 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.616 2.311 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.104 2.197 9.942 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.995 2.898 7.681 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.450 3.858 6.690 1.00 0.00 C ATOM 1282 C LEU A 80 -11.870 4.310 7.038 1.00 0.00 C ATOM 1283 O LEU A 80 -12.433 3.879 8.043 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.318 3.277 5.281 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.239 3.904 4.395 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.164 3.198 3.040 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.460 5.411 4.245 1.00 0.00 C ATOM 0 H LEU A 80 -9.973 1.931 7.359 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.820 4.747 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.114 2.210 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.279 3.378 4.776 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.274 3.767 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.390 3.663 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.924 2.146 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.125 3.282 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.680 5.832 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.434 5.592 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.424 5.884 5.227 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.407 5.173 6.188 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.750 5.688 6.394 1.00 0.00 C ATOM 1301 C ALA A 81 -14.708 5.010 5.412 1.00 0.00 C ATOM 1302 O ALA A 81 -14.272 4.372 4.455 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.742 7.210 6.243 1.00 0.00 C ATOM 0 H ALA A 81 -11.937 5.528 5.356 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.097 5.462 7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.749 7.596 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.069 7.645 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.402 7.475 5.242 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.029 5.176 5.689 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.051 4.587 4.841 1.00 0.00 C ATOM 1311 C PRO A 82 -17.193 5.366 3.532 1.00 0.00 C ATOM 1312 O PRO A 82 -17.283 4.773 2.458 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.317 4.604 5.682 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.070 5.617 6.788 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.582 5.925 6.813 1.00 0.00 C ATOM 0 HA PRO A 82 -16.807 3.571 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.181 4.886 5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.524 3.617 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.645 6.526 6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.394 5.219 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.397 6.994 6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.130 5.616 7.755 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.209 6.685 3.664 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.338 7.551 2.505 1.00 0.00 C ATOM 1325 C ARG A 83 -16.001 7.656 1.768 1.00 0.00 C ATOM 1326 O ARG A 83 -15.969 7.902 0.564 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.799 8.952 2.913 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.721 9.667 3.730 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.343 10.692 4.681 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.329 11.164 5.650 1.00 0.00 N ATOM 1331 CZ ARG A 83 -16.505 12.206 6.473 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -17.656 12.892 6.449 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -15.530 12.563 7.321 1.00 0.00 N ATOM 0 H ARG A 83 -17.135 7.174 4.556 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.086 7.112 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.033 9.536 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.716 8.881 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.148 8.936 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.022 10.166 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -17.736 11.536 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.184 10.245 5.211 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.441 10.665 5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.398 12.621 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.790 13.685 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.654 12.041 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.664 13.357 7.948 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.929 7.463 2.523 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.593 7.533 1.958 1.00 0.00 C ATOM 1349 C LEU A 84 -13.238 6.183 1.331 1.00 0.00 C ATOM 1350 O LEU A 84 -12.639 6.131 0.258 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.589 8.005 3.011 1.00 0.00 C ATOM 1352 CG LEU A 84 -11.749 9.228 2.638 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.446 10.522 3.064 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -10.336 9.120 3.215 1.00 0.00 C ATOM 0 H LEU A 84 -14.959 7.258 3.522 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.555 8.275 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.133 8.229 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.913 7.180 3.235 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.651 9.257 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.828 11.376 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -13.412 10.596 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.595 10.517 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.760 10.002 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.391 9.052 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.849 8.228 2.820 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.624 5.124 2.027 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.354 3.778 1.552 1.00 0.00 C ATOM 1368 C ARG A 85 -13.860 3.609 0.118 1.00 0.00 C ATOM 1369 O ARG A 85 -13.126 3.142 -0.752 1.00 0.00 O ATOM 1370 CB ARG A 85 -14.024 2.733 2.447 1.00 0.00 C ATOM 1371 CG ARG A 85 -14.073 1.369 1.756 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.507 0.275 2.733 1.00 0.00 C ATOM 1373 NE ARG A 85 -15.273 -0.770 2.016 1.00 0.00 N ATOM 1374 CZ ARG A 85 -16.559 -0.647 1.660 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -17.231 0.475 1.953 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -17.173 -1.646 1.012 1.00 0.00 N ATOM 0 H ARG A 85 -14.122 5.171 2.916 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.275 3.627 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.477 2.649 3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.035 3.056 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.767 1.408 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.091 1.129 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.632 -0.167 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.118 0.706 3.526 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.792 -1.637 1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.764 1.235 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.210 0.569 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.662 -2.500 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.152 -1.553 0.741 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.110 3.999 -0.085 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.722 3.897 -1.398 1.00 0.00 C ATOM 1392 C GLU A 86 -14.851 4.596 -2.445 1.00 0.00 C ATOM 1393 O GLU A 86 -14.721 4.116 -3.570 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.138 4.475 -1.389 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.073 3.621 -0.531 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.536 3.851 -0.917 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.979 3.189 -1.881 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.178 4.683 -0.241 1.00 0.00 O ATOM 0 H GLU A 86 -15.716 4.386 0.639 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.797 2.842 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.116 5.495 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.520 4.527 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.823 2.567 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.929 3.863 0.522 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.278 5.719 -2.038 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.424 6.488 -2.926 1.00 0.00 C ATOM 1407 C GLN A 87 -12.095 5.762 -3.146 1.00 0.00 C ATOM 1408 O GLN A 87 -11.524 5.820 -4.234 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.194 7.899 -2.381 1.00 0.00 C ATOM 1410 CG GLN A 87 -12.559 8.801 -3.441 1.00 0.00 C ATOM 1411 CD GLN A 87 -12.698 10.276 -3.061 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -13.697 10.922 -3.332 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -11.643 10.771 -2.419 1.00 0.00 N ATOM 0 H GLN A 87 -14.389 6.115 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.927 6.583 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.143 8.326 -2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.548 7.853 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.505 8.549 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.034 8.624 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.839 10.175 -2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.638 11.747 -2.122 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.641 5.095 -2.095 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.391 4.359 -2.159 1.00 0.00 C ATOM 1424 C VAL A 88 -10.582 3.111 -3.023 1.00 0.00 C ATOM 1425 O VAL A 88 -9.665 2.693 -3.728 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.900 4.037 -0.746 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.627 3.189 -0.787 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.679 5.318 0.063 1.00 0.00 C ATOM 0 H VAL A 88 -12.117 5.049 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.616 4.965 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.675 3.454 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.300 2.975 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.830 2.253 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.843 3.734 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.330 5.061 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.932 5.938 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.617 5.869 0.136 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.780 2.551 -2.941 1.00 0.00 N ATOM 1439 CA LEU A 89 -12.104 1.360 -3.707 1.00 0.00 C ATOM 1440 C LEU A 89 -12.053 1.690 -5.200 1.00 0.00 C ATOM 1441 O LEU A 89 -11.392 0.996 -5.971 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.442 0.777 -3.251 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.484 0.232 -1.822 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.899 -0.214 -1.446 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.461 -0.889 -1.631 1.00 0.00 C ATOM 0 H LEU A 89 -12.538 2.901 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.365 0.579 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.204 1.550 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.717 -0.027 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.209 1.038 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.901 -0.597 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.579 0.635 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.227 -0.998 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.512 -1.258 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.680 -1.703 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.460 -0.506 -1.829 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.762 2.749 -5.564 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.806 3.179 -6.951 1.00 0.00 C ATOM 1459 C ARG A 90 -11.427 3.665 -7.401 1.00 0.00 C ATOM 1460 O ARG A 90 -11.000 3.383 -8.519 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.824 4.305 -7.146 1.00 0.00 C ATOM 1462 CG ARG A 90 -13.439 5.540 -6.330 1.00 0.00 C ATOM 1463 CD ARG A 90 -14.472 6.655 -6.502 1.00 0.00 C ATOM 1464 NE ARG A 90 -14.234 7.374 -7.774 1.00 0.00 N ATOM 1465 CZ ARG A 90 -14.747 8.578 -8.064 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -15.531 9.204 -7.175 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -14.477 9.155 -9.242 1.00 0.00 N ATOM 0 H ARG A 90 -13.310 3.322 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.107 2.322 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.884 4.567 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.814 3.961 -6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.359 5.273 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.458 5.897 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.478 6.235 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.411 7.350 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.643 6.925 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.737 8.764 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.921 10.120 -7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.881 8.678 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.867 10.071 -9.463 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.768 4.386 -6.506 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.446 4.914 -6.797 1.00 0.00 C ATOM 1483 C GLU A 91 -8.421 3.779 -6.848 1.00 0.00 C ATOM 1484 O GLU A 91 -7.726 3.611 -7.849 1.00 0.00 O ATOM 1485 CB GLU A 91 -9.040 5.972 -5.769 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.866 7.249 -5.941 1.00 0.00 C ATOM 1487 CD GLU A 91 -9.450 8.005 -7.205 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.228 8.205 -7.371 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -10.365 8.366 -7.977 1.00 0.00 O ATOM 0 H GLU A 91 -11.125 4.617 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.476 5.396 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.178 5.578 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.980 6.203 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.925 6.997 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.736 7.891 -5.070 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.361 3.029 -5.758 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.433 1.915 -5.667 1.00 0.00 C ATOM 1498 C ALA A 92 -7.384 1.186 -7.011 1.00 0.00 C ATOM 1499 O ALA A 92 -8.313 1.287 -7.810 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.852 0.994 -4.519 1.00 0.00 C ATOM 0 H ALA A 92 -8.940 3.171 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.426 2.271 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.156 0.158 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.842 1.552 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.857 0.615 -4.705 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.290 0.467 -7.219 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.108 -0.279 -8.453 1.00 0.00 C ATOM 1508 C ILE A 93 -5.301 -1.545 -8.163 1.00 0.00 C ATOM 1509 O ILE A 93 -4.281 -1.493 -7.478 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.489 0.613 -9.531 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.145 1.179 -9.069 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.460 1.716 -9.955 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.419 1.879 -10.220 1.00 0.00 C ATOM 0 H ILE A 93 -5.521 0.385 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.071 -0.599 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.295 -0.000 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.305 1.884 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.523 0.374 -8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.995 2.335 -10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.369 1.267 -10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.709 2.333 -9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.467 2.272 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.239 1.166 -11.024 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.033 2.699 -10.593 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.800 -2.684 -8.715 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.136 -3.962 -8.523 1.00 0.00 C ATOM 1527 C PRO A 94 -3.874 -4.059 -9.382 1.00 0.00 C ATOM 1528 O PRO A 94 -3.953 -4.073 -10.609 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.181 -5.006 -8.883 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.233 -4.277 -9.704 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.005 -2.784 -9.533 1.00 0.00 C ATOM 0 HA PRO A 94 -4.785 -4.104 -7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.737 -5.822 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.620 -5.445 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.159 -4.557 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.234 -4.551 -9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.872 -2.291 -10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.855 -2.307 -9.045 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.738 -4.122 -8.703 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.460 -4.217 -9.388 1.00 0.00 C ATOM 1541 C LEU A 95 -1.397 -5.537 -10.160 1.00 0.00 C ATOM 1542 O LEU A 95 -2.049 -6.511 -9.786 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.307 -4.027 -8.401 1.00 0.00 C ATOM 1544 CG LEU A 95 1.080 -4.434 -8.903 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.954 -3.205 -9.158 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.744 -5.420 -7.939 1.00 0.00 C ATOM 0 H LEU A 95 -2.676 -4.109 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.359 -3.414 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.273 -2.977 -8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.528 -4.600 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 95 0.961 -4.947 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.934 -3.523 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.482 -2.573 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.069 -2.642 -8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.728 -5.693 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.850 -4.955 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.128 -6.315 -7.852 1.00 0.00 H new