USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 6 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -140:sc= -0.167 USER MOD Single : A 40 TYR OH : rot 30:sc=-0.00277 USER MOD Single : A 42 SER OG : rot 170:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -156:sc= 0.0618 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.971 USER MOD Single : A 79 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -5.675 8.446 -0.123 1.00 0.00 N ATOM 45 CA LEU A 4 -5.571 8.497 -1.579 1.00 0.00 C ATOM 46 C LEU A 4 -5.261 7.110 -2.137 1.00 0.00 C ATOM 47 O LEU A 4 -6.042 6.543 -2.900 1.00 0.00 O ATOM 48 CB LEU A 4 -4.464 9.477 -2.004 1.00 0.00 C ATOM 49 CG LEU A 4 -5.074 10.809 -2.468 1.00 0.00 C ATOM 50 CD1 LEU A 4 -5.981 10.573 -3.679 1.00 0.00 C ATOM 51 CD2 LEU A 4 -5.892 11.435 -1.332 1.00 0.00 C ATOM 0 HA LEU A 4 -6.526 8.840 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.785 9.652 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.873 9.041 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.267 11.487 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.410 11.521 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.397 10.142 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.782 9.887 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.321 12.379 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.693 10.755 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.244 11.617 -0.475 1.00 0.00 H new ATOM 63 N LEU A 5 -4.110 6.571 -1.745 1.00 0.00 N ATOM 64 CA LEU A 5 -3.702 5.249 -2.211 1.00 0.00 C ATOM 65 C LEU A 5 -4.216 4.175 -1.262 1.00 0.00 C ATOM 66 O LEU A 5 -3.485 3.659 -0.422 1.00 0.00 O ATOM 67 CB LEU A 5 -2.171 5.168 -2.304 1.00 0.00 C ATOM 68 CG LEU A 5 -1.716 5.329 -3.765 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.216 4.143 -4.590 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.279 6.630 -4.354 1.00 0.00 C ATOM 0 H LEU A 5 -3.450 7.023 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.128 5.084 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.721 5.946 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.826 4.211 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.627 5.365 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.893 4.258 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.807 3.218 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.305 4.106 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.950 6.733 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.368 6.603 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.919 7.479 -3.772 1.00 0.00 H new ATOM 82 N THR A 6 -5.492 3.850 -1.408 1.00 0.00 N ATOM 83 CA THR A 6 -6.108 2.838 -0.557 1.00 0.00 C ATOM 84 C THR A 6 -6.024 1.462 -1.209 1.00 0.00 C ATOM 85 O THR A 6 -5.608 1.326 -2.360 1.00 0.00 O ATOM 86 CB THR A 6 -7.578 3.176 -0.299 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.180 3.619 -1.507 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.673 4.281 0.755 1.00 0.00 C ATOM 0 H THR A 6 -6.117 4.266 -2.099 1.00 0.00 H new ATOM 0 HA THR A 6 -5.566 2.824 0.388 1.00 0.00 H new ATOM 0 HB THR A 6 -8.097 2.288 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.122 3.834 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.721 4.521 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.212 3.940 1.682 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.154 5.171 0.397 1.00 0.00 H new ATOM 96 N THR A 7 -6.426 0.443 -0.453 1.00 0.00 N ATOM 97 CA THR A 7 -6.404 -0.933 -0.950 1.00 0.00 C ATOM 98 C THR A 7 -7.233 -1.056 -2.226 1.00 0.00 C ATOM 99 O THR A 7 -6.839 -1.726 -3.177 1.00 0.00 O ATOM 100 CB THR A 7 -6.968 -1.888 0.107 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.269 -1.701 1.330 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.801 -3.333 -0.362 1.00 0.00 C ATOM 0 H THR A 7 -6.770 0.542 0.502 1.00 0.00 H new ATOM 0 HA THR A 7 -5.369 -1.197 -1.167 1.00 0.00 H new ATOM 0 HB THR A 7 -8.028 -1.680 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.629 -2.309 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.203 -4.009 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.338 -3.475 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.743 -3.546 -0.513 1.00 0.00 H new ATOM 110 N ASP A 8 -8.387 -0.398 -2.235 1.00 0.00 N ATOM 111 CA ASP A 8 -9.263 -0.437 -3.405 1.00 0.00 C ATOM 112 C ASP A 8 -8.540 0.127 -4.627 1.00 0.00 C ATOM 113 O ASP A 8 -8.762 -0.309 -5.757 1.00 0.00 O ATOM 114 CB ASP A 8 -10.530 0.385 -3.153 1.00 0.00 C ATOM 115 CG ASP A 8 -11.607 -0.024 -4.152 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.412 0.212 -5.334 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.612 -0.565 -3.722 1.00 0.00 O ATOM 0 H ASP A 8 -8.736 0.162 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.536 -1.476 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.884 0.225 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.312 1.448 -3.251 1.00 0.00 H new ATOM 122 N ASP A 9 -7.668 1.101 -4.381 1.00 0.00 N ATOM 123 CA ASP A 9 -6.906 1.727 -5.459 1.00 0.00 C ATOM 124 C ASP A 9 -5.957 0.722 -6.108 1.00 0.00 C ATOM 125 O ASP A 9 -5.988 0.516 -7.322 1.00 0.00 O ATOM 126 CB ASP A 9 -6.089 2.906 -4.926 1.00 0.00 C ATOM 127 CG ASP A 9 -5.821 3.893 -6.058 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.027 3.567 -6.925 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.414 4.959 -6.041 1.00 0.00 O ATOM 0 H ASP A 9 -7.472 1.472 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.619 2.083 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.629 3.401 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.147 2.550 -4.509 1.00 0.00 H new ATOM 134 N LEU A 10 -5.106 0.098 -5.288 1.00 0.00 N ATOM 135 CA LEU A 10 -4.149 -0.880 -5.810 1.00 0.00 C ATOM 136 C LEU A 10 -4.879 -2.022 -6.535 1.00 0.00 C ATOM 137 O LEU A 10 -4.335 -2.648 -7.444 1.00 0.00 O ATOM 138 CB LEU A 10 -3.246 -1.424 -4.671 1.00 0.00 C ATOM 139 CG LEU A 10 -3.891 -2.618 -3.943 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.431 -3.917 -4.600 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.464 -2.624 -2.477 1.00 0.00 C ATOM 0 H LEU A 10 -5.060 0.248 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.508 -0.380 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.285 -1.728 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.047 -0.627 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.976 -2.532 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.885 -4.765 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.733 -3.922 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.346 -3.993 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.924 -3.471 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.379 -2.708 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.784 -1.697 -2.001 1.00 0.00 H new ATOM 153 N ARG A 11 -6.116 -2.280 -6.112 1.00 0.00 N ATOM 154 CA ARG A 11 -6.915 -3.342 -6.715 1.00 0.00 C ATOM 155 C ARG A 11 -7.224 -3.014 -8.170 1.00 0.00 C ATOM 156 O ARG A 11 -7.016 -3.834 -9.062 1.00 0.00 O ATOM 157 CB ARG A 11 -8.232 -3.516 -5.951 1.00 0.00 C ATOM 158 CG ARG A 11 -8.599 -5.000 -5.884 1.00 0.00 C ATOM 159 CD ARG A 11 -10.122 -5.149 -5.853 1.00 0.00 C ATOM 160 NE ARG A 11 -10.696 -4.342 -4.780 1.00 0.00 N ATOM 161 CZ ARG A 11 -12.009 -4.141 -4.702 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.588 -3.290 -5.505 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.718 -4.793 -3.822 1.00 0.00 N ATOM 0 H ARG A 11 -6.582 -1.772 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.341 -4.267 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.136 -3.110 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.027 -2.957 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.189 -5.526 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.160 -5.454 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.542 -4.842 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.387 -6.196 -5.709 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.081 -3.926 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.034 -2.779 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.595 -3.136 -5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.266 -5.457 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.724 -4.639 -3.762 1.00 0.00 H new ATOM 177 N ARG A 12 -7.728 -1.804 -8.398 1.00 0.00 N ATOM 178 CA ARG A 12 -8.071 -1.369 -9.752 1.00 0.00 C ATOM 179 C ARG A 12 -6.844 -1.410 -10.659 1.00 0.00 C ATOM 180 O ARG A 12 -6.943 -1.713 -11.848 1.00 0.00 O ATOM 181 CB ARG A 12 -8.629 0.055 -9.732 1.00 0.00 C ATOM 182 CG ARG A 12 -10.033 0.044 -9.125 1.00 0.00 C ATOM 183 CD ARG A 12 -10.729 1.374 -9.419 1.00 0.00 C ATOM 184 NE ARG A 12 -11.705 1.686 -8.378 1.00 0.00 N ATOM 185 CZ ARG A 12 -12.960 1.997 -8.687 1.00 0.00 C ATOM 186 NH1 ARG A 12 -13.208 2.782 -9.700 1.00 0.00 N ATOM 187 NH2 ARG A 12 -13.946 1.518 -7.978 1.00 0.00 N ATOM 0 H ARG A 12 -7.907 -1.112 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.828 -2.051 -10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.975 0.705 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.662 0.458 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.613 -0.781 -9.539 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.974 -0.117 -8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.989 2.172 -9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.226 1.324 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.419 1.665 -7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.439 3.157 -10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.171 3.020 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.754 0.905 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.909 1.757 -8.216 1.00 0.00 H new ATOM 201 N ALA A 13 -5.685 -1.104 -10.083 1.00 0.00 N ATOM 202 CA ALA A 13 -4.440 -1.112 -10.849 1.00 0.00 C ATOM 203 C ALA A 13 -4.032 -2.543 -11.195 1.00 0.00 C ATOM 204 O ALA A 13 -3.397 -2.791 -12.221 1.00 0.00 O ATOM 205 CB ALA A 13 -3.316 -0.451 -10.050 1.00 0.00 C ATOM 0 H ALA A 13 -5.580 -0.850 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.609 -0.552 -11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.396 -0.466 -10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.587 0.581 -9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.162 -0.996 -9.119 1.00 0.00 H new ATOM 211 N LEU A 14 -4.402 -3.480 -10.326 1.00 0.00 N ATOM 212 CA LEU A 14 -4.069 -4.887 -10.546 1.00 0.00 C ATOM 213 C LEU A 14 -5.103 -5.573 -11.448 1.00 0.00 C ATOM 214 O LEU A 14 -4.855 -6.657 -11.970 1.00 0.00 O ATOM 215 CB LEU A 14 -4.003 -5.631 -9.209 1.00 0.00 C ATOM 216 CG LEU A 14 -2.576 -5.565 -8.657 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.612 -5.624 -7.125 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.768 -6.748 -9.195 1.00 0.00 C ATOM 0 H LEU A 14 -4.927 -3.295 -9.471 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.097 -4.920 -11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.700 -5.186 -8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.304 -6.670 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.109 -4.631 -8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.595 -5.577 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.187 -4.781 -6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.079 -6.556 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.752 -6.703 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.236 -7.681 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.739 -6.704 -10.284 1.00 0.00 H new ATOM 230 N VAL A 15 -6.264 -4.937 -11.624 1.00 0.00 N ATOM 231 CA VAL A 15 -7.317 -5.507 -12.462 1.00 0.00 C ATOM 232 C VAL A 15 -7.002 -5.280 -13.941 1.00 0.00 C ATOM 233 O VAL A 15 -7.299 -6.120 -14.790 1.00 0.00 O ATOM 234 CB VAL A 15 -8.670 -4.860 -12.129 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.789 -5.546 -12.923 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.950 -4.994 -10.623 1.00 0.00 C ATOM 0 H VAL A 15 -6.495 -4.038 -11.202 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.368 -6.578 -12.264 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.636 -3.805 -12.400 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.745 -5.081 -12.681 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.595 -5.441 -13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.824 -6.604 -12.663 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.910 -4.534 -10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.977 -6.049 -10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.162 -4.494 -10.060 1.00 0.00 H new ATOM 246 N GLU A 16 -6.406 -4.130 -14.235 1.00 0.00 N ATOM 247 CA GLU A 16 -6.062 -3.790 -15.614 1.00 0.00 C ATOM 248 C GLU A 16 -5.085 -4.807 -16.200 1.00 0.00 C ATOM 249 O GLU A 16 -5.253 -5.270 -17.328 1.00 0.00 O ATOM 250 CB GLU A 16 -5.428 -2.399 -15.678 1.00 0.00 C ATOM 251 CG GLU A 16 -6.528 -1.336 -15.687 1.00 0.00 C ATOM 252 CD GLU A 16 -7.189 -1.299 -17.061 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.662 -0.627 -17.932 1.00 0.00 O ATOM 254 OE2 GLU A 16 -8.213 -1.943 -17.221 1.00 0.00 O ATOM 0 H GLU A 16 -6.152 -3.422 -13.546 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.983 -3.802 -16.197 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.769 -2.248 -14.823 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.813 -2.309 -16.574 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.270 -1.559 -14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.107 -0.360 -15.448 1.00 0.00 H new ATOM 261 N CYS A 17 -4.058 -5.142 -15.423 1.00 0.00 N ATOM 262 CA CYS A 17 -3.050 -6.100 -15.880 1.00 0.00 C ATOM 263 C CYS A 17 -3.424 -7.538 -15.502 1.00 0.00 C ATOM 264 O CYS A 17 -2.851 -8.492 -16.028 1.00 0.00 O ATOM 265 CB CYS A 17 -1.689 -5.768 -15.269 1.00 0.00 C ATOM 266 SG CYS A 17 -0.977 -4.340 -16.124 1.00 0.00 S ATOM 0 H CYS A 17 -3.901 -4.771 -14.486 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.002 -6.025 -16.966 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.798 -5.552 -14.206 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.022 -6.626 -15.353 1.00 0.00 H new ATOM 0 HG CYS A 17 0.299 -4.524 -16.288 1.00 0.00 H new ATOM 272 N ALA A 18 -4.381 -7.692 -14.585 1.00 0.00 N ATOM 273 CA ALA A 18 -4.800 -9.026 -14.155 1.00 0.00 C ATOM 274 C ALA A 18 -5.320 -9.841 -15.338 1.00 0.00 C ATOM 275 O ALA A 18 -4.668 -10.776 -15.800 1.00 0.00 O ATOM 276 CB ALA A 18 -5.900 -8.926 -13.097 1.00 0.00 C ATOM 0 H ALA A 18 -4.874 -6.922 -14.132 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.929 -9.526 -13.731 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.200 -9.927 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.525 -8.377 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.760 -8.402 -13.515 1.00 0.00 H new ATOM 400 N ASP A 29 -10.191 -9.724 1.186 1.00 0.00 N ATOM 401 CA ASP A 29 -8.842 -9.384 1.627 1.00 0.00 C ATOM 402 C ASP A 29 -7.891 -9.323 0.437 1.00 0.00 C ATOM 403 O ASP A 29 -7.206 -8.321 0.227 1.00 0.00 O ATOM 404 CB ASP A 29 -8.326 -10.425 2.623 1.00 0.00 C ATOM 405 CG ASP A 29 -7.380 -9.758 3.613 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.813 -8.837 4.287 1.00 0.00 O ATOM 407 OD2 ASP A 29 -6.237 -10.178 3.686 1.00 0.00 O ATOM 0 HA ASP A 29 -8.883 -8.408 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.162 -10.881 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.809 -11.225 2.093 1.00 0.00 H new ATOM 412 N PHE A 30 -7.857 -10.415 -0.339 1.00 0.00 N ATOM 413 CA PHE A 30 -6.988 -10.520 -1.530 1.00 0.00 C ATOM 414 C PHE A 30 -5.601 -9.934 -1.282 1.00 0.00 C ATOM 415 O PHE A 30 -4.959 -9.407 -2.191 1.00 0.00 O ATOM 416 CB PHE A 30 -7.619 -9.818 -2.736 1.00 0.00 C ATOM 417 CG PHE A 30 -7.975 -8.390 -2.388 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.027 -7.368 -2.532 1.00 0.00 C ATOM 419 CD2 PHE A 30 -9.261 -8.090 -1.922 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.364 -6.050 -2.208 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.597 -6.772 -1.598 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.649 -5.750 -1.741 1.00 0.00 C ATOM 0 H PHE A 30 -8.423 -11.245 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.882 -11.584 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.926 -9.832 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.513 -10.356 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.036 -7.598 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.993 -8.876 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.632 -5.263 -2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.588 -6.541 -1.237 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.910 -4.732 -1.491 1.00 0.00 H new ATOM 432 N LEU A 31 -5.148 -10.036 -0.042 1.00 0.00 N ATOM 433 CA LEU A 31 -3.835 -9.512 0.318 1.00 0.00 C ATOM 434 C LEU A 31 -3.073 -10.500 1.200 1.00 0.00 C ATOM 435 O LEU A 31 -2.216 -10.110 1.994 1.00 0.00 O ATOM 436 CB LEU A 31 -3.980 -8.179 1.049 1.00 0.00 C ATOM 437 CG LEU A 31 -4.481 -7.122 0.061 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.053 -5.924 0.824 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.318 -6.665 -0.825 1.00 0.00 C ATOM 0 H LEU A 31 -5.661 -10.471 0.725 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.271 -9.361 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.678 -8.279 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.023 -7.875 1.472 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.266 -7.552 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.407 -5.176 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.883 -6.253 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.276 -5.488 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.671 -5.912 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.532 -6.238 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.922 -7.519 -1.375 1.00 0.00 H new ATOM 451 N ASP A 32 -3.377 -11.785 1.035 1.00 0.00 N ATOM 452 CA ASP A 32 -2.699 -12.824 1.803 1.00 0.00 C ATOM 453 C ASP A 32 -1.550 -13.387 0.975 1.00 0.00 C ATOM 454 O ASP A 32 -0.473 -13.688 1.491 1.00 0.00 O ATOM 455 CB ASP A 32 -3.667 -13.956 2.155 1.00 0.00 C ATOM 456 CG ASP A 32 -4.665 -13.464 3.199 1.00 0.00 C ATOM 457 OD1 ASP A 32 -5.324 -12.471 2.938 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.755 -14.087 4.243 1.00 0.00 O ATOM 0 H ASP A 32 -4.082 -12.129 0.383 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.321 -12.387 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.194 -14.290 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.116 -14.814 2.539 1.00 0.00 H new ATOM 463 N LEU A 33 -1.798 -13.502 -0.325 1.00 0.00 N ATOM 464 CA LEU A 33 -0.795 -14.004 -1.257 1.00 0.00 C ATOM 465 C LEU A 33 -0.796 -13.133 -2.509 1.00 0.00 C ATOM 466 O LEU A 33 0.148 -12.389 -2.759 1.00 0.00 O ATOM 467 CB LEU A 33 -1.093 -15.453 -1.647 1.00 0.00 C ATOM 468 CG LEU A 33 -0.335 -16.400 -0.714 1.00 0.00 C ATOM 469 CD1 LEU A 33 -0.843 -17.828 -0.913 1.00 0.00 C ATOM 470 CD2 LEU A 33 1.161 -16.344 -1.035 1.00 0.00 C ATOM 0 H LEU A 33 -2.687 -13.254 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 33 0.182 -13.969 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.164 -15.644 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.797 -15.630 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.498 -16.096 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.303 -18.502 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.908 -17.870 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.681 -18.131 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.701 -17.018 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.323 -16.647 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.526 -15.327 -0.894 1.00 0.00 H new ATOM 482 N ARG A 34 -1.889 -13.229 -3.270 1.00 0.00 N ATOM 483 CA ARG A 34 -2.071 -12.446 -4.499 1.00 0.00 C ATOM 484 C ARG A 34 -0.857 -12.543 -5.439 1.00 0.00 C ATOM 485 O ARG A 34 -0.847 -13.365 -6.356 1.00 0.00 O ATOM 486 CB ARG A 34 -2.370 -10.976 -4.157 1.00 0.00 C ATOM 487 CG ARG A 34 -2.704 -10.198 -5.438 1.00 0.00 C ATOM 488 CD ARG A 34 -4.222 -10.031 -5.559 1.00 0.00 C ATOM 489 NE ARG A 34 -4.637 -10.098 -6.957 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.852 -10.524 -7.290 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.208 -11.752 -7.029 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.690 -9.715 -7.879 1.00 0.00 N ATOM 0 H ARG A 34 -2.671 -13.848 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.923 -12.872 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.205 -10.919 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.509 -10.526 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.221 -9.221 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.316 -10.727 -6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.726 -10.810 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.523 -9.075 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.986 -9.814 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.554 -12.386 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.140 -12.078 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.413 -8.755 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.622 -10.043 -8.134 1.00 0.00 H new ATOM 506 N PHE A 35 0.157 -11.695 -5.224 1.00 0.00 N ATOM 507 CA PHE A 35 1.352 -11.692 -6.077 1.00 0.00 C ATOM 508 C PHE A 35 1.884 -13.107 -6.305 1.00 0.00 C ATOM 509 O PHE A 35 2.168 -13.503 -7.433 1.00 0.00 O ATOM 510 CB PHE A 35 2.457 -10.842 -5.447 1.00 0.00 C ATOM 511 CG PHE A 35 2.295 -9.396 -5.869 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.054 -8.759 -5.734 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.389 -8.688 -6.383 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.909 -7.421 -6.112 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.242 -7.349 -6.756 1.00 0.00 C ATOM 516 CZ PHE A 35 2.004 -6.716 -6.619 1.00 0.00 C ATOM 0 H PHE A 35 0.174 -11.006 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 35 1.060 -11.268 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.414 -10.920 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.434 -11.213 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.209 -9.302 -5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.346 -9.177 -6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.049 -6.932 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.086 -6.803 -7.151 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.893 -5.681 -6.905 1.00 0.00 H new ATOM 526 N GLU A 36 2.010 -13.863 -5.221 1.00 0.00 N ATOM 527 CA GLU A 36 2.502 -15.233 -5.316 1.00 0.00 C ATOM 528 C GLU A 36 1.334 -16.219 -5.256 1.00 0.00 C ATOM 529 O GLU A 36 1.213 -17.009 -4.317 1.00 0.00 O ATOM 530 CB GLU A 36 3.482 -15.530 -4.179 1.00 0.00 C ATOM 531 CG GLU A 36 4.893 -15.111 -4.599 1.00 0.00 C ATOM 532 CD GLU A 36 5.913 -16.055 -3.972 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.078 -16.000 -2.765 1.00 0.00 O ATOM 534 OE2 GLU A 36 6.514 -16.819 -4.708 1.00 0.00 O ATOM 0 H GLU A 36 1.781 -13.556 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 36 3.020 -15.346 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.184 -14.993 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.464 -16.593 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.982 -15.132 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.088 -14.086 -4.283 1.00 0.00 H new ATOM 541 N ASP A 37 0.470 -16.163 -6.267 1.00 0.00 N ATOM 542 CA ASP A 37 -0.686 -17.055 -6.307 1.00 0.00 C ATOM 543 C ASP A 37 -1.172 -17.275 -7.742 1.00 0.00 C ATOM 544 O ASP A 37 -1.084 -18.381 -8.274 1.00 0.00 O ATOM 545 CB ASP A 37 -1.835 -16.482 -5.474 1.00 0.00 C ATOM 546 CG ASP A 37 -2.869 -17.573 -5.214 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.466 -18.705 -5.006 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.048 -17.260 -5.228 1.00 0.00 O ATOM 0 H ASP A 37 0.545 -15.521 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.371 -18.012 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.455 -16.094 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.297 -15.646 -5.999 1.00 0.00 H new ATOM 553 N ILE A 38 -1.701 -16.218 -8.356 1.00 0.00 N ATOM 554 CA ILE A 38 -2.212 -16.327 -9.723 1.00 0.00 C ATOM 555 C ILE A 38 -1.066 -16.450 -10.729 1.00 0.00 C ATOM 556 O ILE A 38 -1.172 -17.152 -11.733 1.00 0.00 O ATOM 557 CB ILE A 38 -3.093 -15.112 -10.075 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.247 -13.831 -10.172 1.00 0.00 C ATOM 559 CG2 ILE A 38 -4.151 -14.920 -8.985 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.118 -12.672 -10.668 1.00 0.00 C ATOM 0 H ILE A 38 -1.787 -15.291 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.820 -17.230 -9.779 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.566 -15.299 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.824 -13.589 -9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.410 -13.987 -10.853 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.776 -14.061 -9.231 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.772 -15.813 -8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.660 -14.748 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.515 -11.767 -10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.520 -12.914 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.940 -12.510 -9.970 1.00 0.00 H new ATOM 572 N GLY A 39 0.027 -15.751 -10.444 1.00 0.00 N ATOM 573 CA GLY A 39 1.191 -15.777 -11.325 1.00 0.00 C ATOM 574 C GLY A 39 1.777 -14.378 -11.495 1.00 0.00 C ATOM 575 O GLY A 39 2.107 -13.958 -12.604 1.00 0.00 O ATOM 0 H GLY A 39 0.133 -15.163 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.948 -16.445 -10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.907 -16.177 -12.298 1.00 0.00 H new ATOM 579 N TYR A 40 1.906 -13.663 -10.381 1.00 0.00 N ATOM 580 CA TYR A 40 2.459 -12.312 -10.408 1.00 0.00 C ATOM 581 C TYR A 40 3.911 -12.336 -9.926 1.00 0.00 C ATOM 582 O TYR A 40 4.257 -11.742 -8.902 1.00 0.00 O ATOM 583 CB TYR A 40 1.632 -11.374 -9.512 1.00 0.00 C ATOM 584 CG TYR A 40 0.675 -10.563 -10.354 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.164 -9.534 -11.169 1.00 0.00 C ATOM 586 CD2 TYR A 40 -0.700 -10.831 -10.316 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.281 -8.776 -11.947 1.00 0.00 C ATOM 588 CE2 TYR A 40 -1.583 -10.070 -11.095 1.00 0.00 C ATOM 589 CZ TYR A 40 -1.091 -9.044 -11.910 1.00 0.00 C ATOM 590 OH TYR A 40 -1.961 -8.295 -12.676 1.00 0.00 O ATOM 0 H TYR A 40 1.637 -13.993 -9.454 1.00 0.00 H new ATOM 0 HA TYR A 40 2.423 -11.941 -11.432 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.078 -11.956 -8.776 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.295 -10.709 -8.958 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.223 -9.325 -11.197 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.079 -11.623 -9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.659 -7.984 -12.576 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.643 -10.275 -11.066 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.503 -7.988 -13.486 1.00 0.00 H new ATOM 600 N ASP A 41 4.759 -13.038 -10.674 1.00 0.00 N ATOM 601 CA ASP A 41 6.170 -13.141 -10.313 1.00 0.00 C ATOM 602 C ASP A 41 6.811 -11.757 -10.274 1.00 0.00 C ATOM 603 O ASP A 41 6.181 -10.755 -10.606 1.00 0.00 O ATOM 604 CB ASP A 41 6.928 -14.035 -11.306 1.00 0.00 C ATOM 605 CG ASP A 41 6.856 -13.450 -12.716 1.00 0.00 C ATOM 606 OD1 ASP A 41 5.760 -13.339 -13.238 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.902 -13.129 -13.254 1.00 0.00 O ATOM 0 H ASP A 41 4.498 -13.538 -11.524 1.00 0.00 H new ATOM 0 HA ASP A 41 6.230 -13.592 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.969 -14.129 -10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.502 -15.038 -11.300 1.00 0.00 H new ATOM 612 N SER A 42 8.067 -11.719 -9.852 1.00 0.00 N ATOM 613 CA SER A 42 8.794 -10.455 -9.753 1.00 0.00 C ATOM 614 C SER A 42 9.260 -9.968 -11.125 1.00 0.00 C ATOM 615 O SER A 42 9.507 -8.778 -11.318 1.00 0.00 O ATOM 616 CB SER A 42 10.013 -10.616 -8.845 1.00 0.00 C ATOM 617 OG SER A 42 9.594 -10.586 -7.487 1.00 0.00 O ATOM 0 H SER A 42 8.603 -12.541 -9.574 1.00 0.00 H new ATOM 0 HA SER A 42 8.110 -9.718 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.520 -11.557 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.730 -9.817 -9.034 1.00 0.00 H new ATOM 0 HG SER A 42 10.340 -10.848 -6.909 1.00 0.00 H new ATOM 623 N LEU A 43 9.393 -10.893 -12.074 1.00 0.00 N ATOM 624 CA LEU A 43 9.846 -10.530 -13.417 1.00 0.00 C ATOM 625 C LEU A 43 8.688 -10.020 -14.280 1.00 0.00 C ATOM 626 O LEU A 43 8.903 -9.305 -15.259 1.00 0.00 O ATOM 627 CB LEU A 43 10.486 -11.736 -14.109 1.00 0.00 C ATOM 628 CG LEU A 43 11.985 -11.764 -13.809 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.477 -13.213 -13.806 1.00 0.00 C ATOM 630 CD2 LEU A 43 12.734 -10.972 -14.882 1.00 0.00 C ATOM 0 H LEU A 43 9.197 -11.885 -11.942 1.00 0.00 H new ATOM 0 HA LEU A 43 10.581 -9.732 -13.306 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.018 -12.657 -13.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.321 -11.680 -15.185 1.00 0.00 H new ATOM 0 HG LEU A 43 12.169 -11.316 -12.833 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.546 -13.234 -13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.943 -13.777 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.293 -13.662 -14.782 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.803 -10.991 -14.669 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.551 -11.419 -15.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.383 -9.940 -14.884 1.00 0.00 H new ATOM 642 N ALA A 44 7.462 -10.400 -13.923 1.00 0.00 N ATOM 643 CA ALA A 44 6.293 -9.975 -14.692 1.00 0.00 C ATOM 644 C ALA A 44 5.729 -8.663 -14.155 1.00 0.00 C ATOM 645 O ALA A 44 5.511 -7.711 -14.905 1.00 0.00 O ATOM 646 CB ALA A 44 5.199 -11.042 -14.639 1.00 0.00 C ATOM 0 H ALA A 44 7.254 -10.992 -13.119 1.00 0.00 H new ATOM 0 HA ALA A 44 6.616 -9.830 -15.723 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.337 -10.708 -15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.579 -11.974 -15.059 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.900 -11.206 -13.604 1.00 0.00 H new ATOM 652 N LEU A 45 5.481 -8.626 -12.848 1.00 0.00 N ATOM 653 CA LEU A 45 4.925 -7.427 -12.225 1.00 0.00 C ATOM 654 C LEU A 45 5.909 -6.247 -12.287 1.00 0.00 C ATOM 655 O LEU A 45 5.530 -5.104 -12.039 1.00 0.00 O ATOM 656 CB LEU A 45 4.515 -7.716 -10.765 1.00 0.00 C ATOM 657 CG LEU A 45 5.741 -7.804 -9.842 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.039 -6.417 -9.266 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.454 -8.783 -8.691 1.00 0.00 C ATOM 0 H LEU A 45 5.653 -9.401 -12.207 1.00 0.00 H new ATOM 0 HA LEU A 45 4.036 -7.144 -12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.848 -6.930 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.957 -8.652 -10.721 1.00 0.00 H new ATOM 0 HG LEU A 45 6.600 -8.159 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.908 -6.474 -8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.244 -5.721 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.178 -6.067 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.325 -8.843 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.596 -8.430 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.237 -9.770 -9.099 1.00 0.00 H new ATOM 671 N MET A 46 7.173 -6.529 -12.618 1.00 0.00 N ATOM 672 CA MET A 46 8.183 -5.475 -12.702 1.00 0.00 C ATOM 673 C MET A 46 7.780 -4.422 -13.734 1.00 0.00 C ATOM 674 O MET A 46 7.696 -3.233 -13.429 1.00 0.00 O ATOM 675 CB MET A 46 9.539 -6.062 -13.098 1.00 0.00 C ATOM 676 CG MET A 46 10.660 -5.260 -12.434 1.00 0.00 C ATOM 677 SD MET A 46 10.931 -3.724 -13.352 1.00 0.00 S ATOM 678 CE MET A 46 12.474 -4.212 -14.162 1.00 0.00 C ATOM 0 H MET A 46 7.516 -7.466 -12.829 1.00 0.00 H new ATOM 0 HA MET A 46 8.259 -5.009 -11.720 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.597 -7.107 -12.794 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.654 -6.038 -14.182 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.398 -5.036 -11.400 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.577 -5.848 -12.410 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.828 -3.396 -14.792 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.226 -4.439 -13.406 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.299 -5.095 -14.777 1.00 0.00 H new ATOM 688 N GLU A 47 7.534 -4.876 -14.962 1.00 0.00 N ATOM 689 CA GLU A 47 7.142 -3.968 -16.040 1.00 0.00 C ATOM 690 C GLU A 47 5.859 -3.223 -15.677 1.00 0.00 C ATOM 691 O GLU A 47 5.653 -2.078 -16.080 1.00 0.00 O ATOM 692 CB GLU A 47 6.914 -4.743 -17.339 1.00 0.00 C ATOM 693 CG GLU A 47 7.279 -3.857 -18.532 1.00 0.00 C ATOM 694 CD GLU A 47 8.775 -3.964 -18.810 1.00 0.00 C ATOM 695 OE1 GLU A 47 9.292 -5.067 -18.740 1.00 0.00 O ATOM 696 OE2 GLU A 47 9.380 -2.942 -19.088 1.00 0.00 O ATOM 0 H GLU A 47 7.598 -5.857 -15.234 1.00 0.00 H new ATOM 0 HA GLU A 47 7.951 -3.251 -16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.520 -5.649 -17.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.872 -5.056 -17.410 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.713 -4.163 -19.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.011 -2.821 -18.324 1.00 0.00 H new ATOM 703 N THR A 48 5.001 -3.886 -14.906 1.00 0.00 N ATOM 704 CA THR A 48 3.740 -3.278 -14.487 1.00 0.00 C ATOM 705 C THR A 48 4.006 -2.020 -13.663 1.00 0.00 C ATOM 706 O THR A 48 3.355 -0.992 -13.843 1.00 0.00 O ATOM 707 CB THR A 48 2.925 -4.267 -13.647 1.00 0.00 C ATOM 708 OG1 THR A 48 2.783 -5.486 -14.361 1.00 0.00 O ATOM 709 CG2 THR A 48 1.543 -3.679 -13.359 1.00 0.00 C ATOM 0 H THR A 48 5.152 -4.834 -14.561 1.00 0.00 H new ATOM 0 HA THR A 48 3.176 -3.013 -15.381 1.00 0.00 H new ATOM 0 HB THR A 48 3.440 -4.454 -12.705 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.263 -6.121 -13.825 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.965 -4.384 -12.762 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.653 -2.743 -12.811 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.025 -3.490 -14.299 1.00 0.00 H new ATOM 717 N ALA A 49 4.976 -2.118 -12.759 1.00 0.00 N ATOM 718 CA ALA A 49 5.332 -0.986 -11.909 1.00 0.00 C ATOM 719 C ALA A 49 5.994 0.114 -12.733 1.00 0.00 C ATOM 720 O ALA A 49 5.889 1.296 -12.411 1.00 0.00 O ATOM 721 CB ALA A 49 6.295 -1.428 -10.805 1.00 0.00 C ATOM 0 H ALA A 49 5.526 -2.962 -12.596 1.00 0.00 H new ATOM 0 HA ALA A 49 4.416 -0.602 -11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.550 -0.572 -10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.820 -2.195 -10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.202 -1.833 -11.254 1.00 0.00 H new ATOM 727 N ALA A 50 6.679 -0.287 -13.803 1.00 0.00 N ATOM 728 CA ALA A 50 7.356 0.677 -14.667 1.00 0.00 C ATOM 729 C ALA A 50 6.343 1.630 -15.296 1.00 0.00 C ATOM 730 O ALA A 50 6.575 2.835 -15.384 1.00 0.00 O ATOM 731 CB ALA A 50 8.119 -0.045 -15.779 1.00 0.00 C ATOM 0 H ALA A 50 6.779 -1.261 -14.090 1.00 0.00 H new ATOM 0 HA ALA A 50 8.058 1.244 -14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.617 0.688 -16.413 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.863 -0.709 -15.338 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.421 -0.629 -16.379 1.00 0.00 H new ATOM 737 N ARG A 51 5.216 1.075 -15.731 1.00 0.00 N ATOM 738 CA ARG A 51 4.169 1.883 -16.352 1.00 0.00 C ATOM 739 C ARG A 51 3.427 2.694 -15.294 1.00 0.00 C ATOM 740 O ARG A 51 2.971 3.809 -15.552 1.00 0.00 O ATOM 741 CB ARG A 51 3.166 0.991 -17.087 1.00 0.00 C ATOM 742 CG ARG A 51 3.901 0.150 -18.132 1.00 0.00 C ATOM 743 CD ARG A 51 4.095 0.974 -19.406 1.00 0.00 C ATOM 744 NE ARG A 51 4.884 0.230 -20.385 1.00 0.00 N ATOM 745 CZ ARG A 51 4.384 -0.841 -20.996 1.00 0.00 C ATOM 746 NH1 ARG A 51 3.438 -0.703 -21.884 1.00 0.00 N ATOM 747 NH2 ARG A 51 4.839 -2.029 -20.706 1.00 0.00 N ATOM 0 H ARG A 51 5.004 0.079 -15.667 1.00 0.00 H new ATOM 0 HA ARG A 51 4.644 2.558 -17.064 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.653 0.342 -16.378 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.403 1.603 -17.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.867 -0.170 -17.742 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.332 -0.753 -18.353 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.125 1.229 -19.832 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.595 1.912 -19.166 1.00 0.00 H new ATOM 0 HE ARG A 51 5.832 0.536 -20.603 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.082 0.226 -22.110 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.055 -1.524 -22.353 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.578 -2.137 -20.011 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.456 -2.850 -21.174 1.00 0.00 H new ATOM 761 N LEU A 52 3.312 2.122 -14.099 1.00 0.00 N ATOM 762 CA LEU A 52 2.623 2.796 -13.001 1.00 0.00 C ATOM 763 C LEU A 52 3.397 4.034 -12.549 1.00 0.00 C ATOM 764 O LEU A 52 2.820 4.978 -12.011 1.00 0.00 O ATOM 765 CB LEU A 52 2.465 1.850 -11.809 1.00 0.00 C ATOM 766 CG LEU A 52 1.175 2.184 -11.059 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.005 1.486 -11.736 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.289 1.701 -9.611 1.00 0.00 C ATOM 0 H LEU A 52 3.683 1.201 -13.866 1.00 0.00 H new ATOM 0 HA LEU A 52 1.641 3.099 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.441 0.816 -12.153 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.321 1.944 -11.141 1.00 0.00 H new ATOM 0 HG LEU A 52 1.016 3.262 -11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.924 1.724 -11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.087 1.828 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.154 0.408 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.370 1.938 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.448 0.623 -9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.130 2.197 -9.127 1.00 0.00 H new ATOM 780 N GLU A 53 4.711 4.019 -12.768 1.00 0.00 N ATOM 781 CA GLU A 53 5.556 5.145 -12.372 1.00 0.00 C ATOM 782 C GLU A 53 5.164 6.430 -13.107 1.00 0.00 C ATOM 783 O GLU A 53 5.545 7.525 -12.696 1.00 0.00 O ATOM 784 CB GLU A 53 7.024 4.834 -12.671 1.00 0.00 C ATOM 785 CG GLU A 53 7.644 4.103 -11.479 1.00 0.00 C ATOM 786 CD GLU A 53 8.718 3.142 -11.975 1.00 0.00 C ATOM 787 OE1 GLU A 53 9.737 3.617 -12.449 1.00 0.00 O ATOM 788 OE2 GLU A 53 8.506 1.945 -11.873 1.00 0.00 O ATOM 0 H GLU A 53 5.210 3.248 -13.213 1.00 0.00 H new ATOM 0 HA GLU A 53 5.414 5.297 -11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.101 4.220 -13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.569 5.757 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.077 4.822 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.875 3.556 -10.934 1.00 0.00 H new ATOM 795 N SER A 54 4.412 6.296 -14.200 1.00 0.00 N ATOM 796 CA SER A 54 4.000 7.469 -14.969 1.00 0.00 C ATOM 797 C SER A 54 2.651 7.997 -14.486 1.00 0.00 C ATOM 798 O SER A 54 2.375 9.194 -14.566 1.00 0.00 O ATOM 799 CB SER A 54 3.893 7.120 -16.454 1.00 0.00 C ATOM 800 OG SER A 54 5.166 6.712 -16.935 1.00 0.00 O ATOM 0 H SER A 54 4.081 5.404 -14.567 1.00 0.00 H new ATOM 0 HA SER A 54 4.756 8.240 -14.824 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.164 6.323 -16.600 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.539 7.983 -17.017 1.00 0.00 H new ATOM 0 HG SER A 54 5.099 6.486 -17.886 1.00 0.00 H new ATOM 806 N ARG A 55 1.812 7.093 -13.988 1.00 0.00 N ATOM 807 CA ARG A 55 0.486 7.486 -13.502 1.00 0.00 C ATOM 808 C ARG A 55 0.604 8.251 -12.188 1.00 0.00 C ATOM 809 O ARG A 55 -0.140 9.197 -11.933 1.00 0.00 O ATOM 810 CB ARG A 55 -0.411 6.261 -13.267 1.00 0.00 C ATOM 811 CG ARG A 55 -0.249 5.253 -14.409 1.00 0.00 C ATOM 812 CD ARG A 55 -1.589 4.571 -14.686 1.00 0.00 C ATOM 813 NE ARG A 55 -2.522 5.503 -15.315 1.00 0.00 N ATOM 814 CZ ARG A 55 -3.072 5.230 -16.494 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.376 5.373 -17.589 1.00 0.00 N ATOM 816 NH2 ARG A 55 -4.309 4.818 -16.558 1.00 0.00 N ATOM 0 H ARG A 55 2.019 6.097 -13.909 1.00 0.00 H new ATOM 0 HA ARG A 55 0.039 8.119 -14.269 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.153 5.790 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.453 6.574 -13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.105 5.759 -15.307 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.502 4.508 -14.146 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.436 3.708 -15.334 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.013 4.198 -13.753 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.755 6.376 -14.842 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.409 5.694 -17.540 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.799 5.163 -18.493 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.854 4.705 -15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.731 4.609 -17.463 1.00 0.00 H new ATOM 830 N TYR A 56 1.546 7.822 -11.354 1.00 0.00 N ATOM 831 CA TYR A 56 1.755 8.463 -10.060 1.00 0.00 C ATOM 832 C TYR A 56 2.910 9.458 -10.135 1.00 0.00 C ATOM 833 O TYR A 56 2.922 10.471 -9.435 1.00 0.00 O ATOM 834 CB TYR A 56 2.061 7.411 -8.990 1.00 0.00 C ATOM 835 CG TYR A 56 0.866 6.499 -8.819 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.493 5.627 -9.852 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.128 6.527 -7.628 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.615 4.787 -9.692 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.979 5.685 -7.470 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.351 4.816 -8.502 1.00 0.00 C ATOM 841 OH TYR A 56 -2.443 3.986 -8.345 1.00 0.00 O ATOM 0 H TYR A 56 2.172 7.040 -11.548 1.00 0.00 H new ATOM 0 HA TYR A 56 0.842 8.996 -9.794 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.937 6.829 -9.277 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.298 7.898 -8.044 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.060 5.604 -10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.413 7.198 -6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.902 4.116 -10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.546 5.706 -6.551 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.053 4.370 -7.681 1.00 0.00 H new ATOM 851 N GLY A 57 3.882 9.159 -10.994 1.00 0.00 N ATOM 852 CA GLY A 57 5.041 10.034 -11.159 1.00 0.00 C ATOM 853 C GLY A 57 5.797 10.197 -9.843 1.00 0.00 C ATOM 854 O GLY A 57 6.446 11.217 -9.608 1.00 0.00 O ATOM 0 H GLY A 57 3.891 8.325 -11.582 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.707 9.621 -11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.716 11.010 -11.519 1.00 0.00 H new ATOM 858 N VAL A 58 5.707 9.184 -8.986 1.00 0.00 N ATOM 859 CA VAL A 58 6.381 9.224 -7.699 1.00 0.00 C ATOM 860 C VAL A 58 7.635 8.350 -7.728 1.00 0.00 C ATOM 861 O VAL A 58 7.774 7.461 -8.568 1.00 0.00 O ATOM 862 CB VAL A 58 5.425 8.741 -6.601 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.000 7.286 -6.864 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.112 8.838 -5.241 1.00 0.00 C ATOM 0 H VAL A 58 5.176 8.331 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 58 6.681 10.250 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 58 4.537 9.373 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.322 6.957 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.495 7.223 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.882 6.646 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.430 8.494 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.007 8.215 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.391 9.874 -5.047 1.00 0.00 H new ATOM 874 N SER A 59 8.543 8.615 -6.794 1.00 0.00 N ATOM 875 CA SER A 59 9.784 7.849 -6.711 1.00 0.00 C ATOM 876 C SER A 59 9.537 6.512 -6.019 1.00 0.00 C ATOM 877 O SER A 59 8.816 6.434 -5.025 1.00 0.00 O ATOM 878 CB SER A 59 10.843 8.627 -5.930 1.00 0.00 C ATOM 879 OG SER A 59 12.121 8.056 -6.175 1.00 0.00 O ATOM 0 H SER A 59 8.446 9.347 -6.090 1.00 0.00 H new ATOM 0 HA SER A 59 10.140 7.673 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.836 9.675 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.618 8.600 -4.864 1.00 0.00 H new ATOM 0 HG SER A 59 12.803 8.554 -5.677 1.00 0.00 H new ATOM 885 N ILE A 60 10.144 5.458 -6.560 1.00 0.00 N ATOM 886 CA ILE A 60 9.984 4.123 -5.989 1.00 0.00 C ATOM 887 C ILE A 60 11.335 3.394 -5.954 1.00 0.00 C ATOM 888 O ILE A 60 12.115 3.495 -6.902 1.00 0.00 O ATOM 889 CB ILE A 60 8.999 3.302 -6.828 1.00 0.00 C ATOM 890 CG1 ILE A 60 7.694 4.086 -6.999 1.00 0.00 C ATOM 891 CG2 ILE A 60 8.702 1.975 -6.126 1.00 0.00 C ATOM 892 CD1 ILE A 60 6.839 3.423 -8.080 1.00 0.00 C ATOM 0 H ILE A 60 10.744 5.501 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 60 9.600 4.230 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 60 9.439 3.105 -7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.148 4.115 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.911 5.118 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.001 1.395 -6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.628 1.413 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.265 2.171 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.910 3.980 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.385 3.417 -9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.611 2.398 -7.786 1.00 0.00 H new ATOM 904 N PRO A 61 11.638 2.648 -4.873 1.00 0.00 N ATOM 905 CA PRO A 61 12.914 1.917 -4.773 1.00 0.00 C ATOM 906 C PRO A 61 12.881 0.585 -5.517 1.00 0.00 C ATOM 907 O PRO A 61 12.051 -0.278 -5.238 1.00 0.00 O ATOM 908 CB PRO A 61 13.048 1.699 -3.271 1.00 0.00 C ATOM 909 CG PRO A 61 11.643 1.760 -2.683 1.00 0.00 C ATOM 910 CD PRO A 61 10.750 2.481 -3.697 1.00 0.00 C ATOM 0 HA PRO A 61 13.747 2.459 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.512 0.735 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.685 2.463 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.266 0.756 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.649 2.291 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.864 1.895 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.402 3.441 -3.316 1.00 0.00 H new ATOM 918 N ASP A 62 13.794 0.433 -6.471 1.00 0.00 N ATOM 919 CA ASP A 62 13.864 -0.795 -7.262 1.00 0.00 C ATOM 920 C ASP A 62 14.175 -2.011 -6.386 1.00 0.00 C ATOM 921 O ASP A 62 13.977 -3.151 -6.804 1.00 0.00 O ATOM 922 CB ASP A 62 14.944 -0.673 -8.337 1.00 0.00 C ATOM 923 CG ASP A 62 14.339 -0.066 -9.599 1.00 0.00 C ATOM 924 OD1 ASP A 62 13.209 -0.403 -9.912 1.00 0.00 O ATOM 925 OD2 ASP A 62 15.015 0.728 -10.233 1.00 0.00 O ATOM 0 H ASP A 62 14.491 1.137 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 62 12.888 -0.937 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.762 -0.049 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.365 -1.654 -8.558 1.00 0.00 H new ATOM 930 N ASP A 63 14.674 -1.770 -5.174 1.00 0.00 N ATOM 931 CA ASP A 63 15.010 -2.871 -4.274 1.00 0.00 C ATOM 932 C ASP A 63 13.759 -3.661 -3.881 1.00 0.00 C ATOM 933 O ASP A 63 13.503 -4.742 -4.409 1.00 0.00 O ATOM 934 CB ASP A 63 15.698 -2.340 -3.012 1.00 0.00 C ATOM 935 CG ASP A 63 17.123 -1.913 -3.348 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.298 -1.245 -4.353 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.017 -2.260 -2.594 1.00 0.00 O ATOM 0 H ASP A 63 14.852 -0.839 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 63 15.692 -3.537 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.140 -1.495 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.711 -3.110 -2.241 1.00 0.00 H new ATOM 942 N VAL A 64 12.989 -3.116 -2.941 1.00 0.00 N ATOM 943 CA VAL A 64 11.775 -3.788 -2.480 1.00 0.00 C ATOM 944 C VAL A 64 10.722 -3.822 -3.589 1.00 0.00 C ATOM 945 O VAL A 64 10.072 -4.842 -3.816 1.00 0.00 O ATOM 946 CB VAL A 64 11.213 -3.075 -1.239 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.809 -1.639 -1.588 1.00 0.00 C ATOM 948 CG2 VAL A 64 9.993 -3.836 -0.710 1.00 0.00 C ATOM 0 H VAL A 64 13.180 -2.222 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 64 12.030 -4.814 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 64 11.986 -3.049 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.413 -1.146 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.681 -1.093 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.045 -1.655 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.599 -3.326 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.225 -3.874 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.286 -4.851 -0.440 1.00 0.00 H new ATOM 958 N ALA A 65 10.562 -2.693 -4.269 1.00 0.00 N ATOM 959 CA ALA A 65 9.584 -2.597 -5.351 1.00 0.00 C ATOM 960 C ALA A 65 9.919 -3.579 -6.470 1.00 0.00 C ATOM 961 O ALA A 65 9.030 -4.072 -7.166 1.00 0.00 O ATOM 962 CB ALA A 65 9.555 -1.181 -5.927 1.00 0.00 C ATOM 0 H ALA A 65 11.090 -1.838 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 65 8.606 -2.841 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.821 -1.130 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.283 -0.475 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.540 -0.927 -6.319 1.00 0.00 H new ATOM 968 N GLY A 66 11.209 -3.856 -6.642 1.00 0.00 N ATOM 969 CA GLY A 66 11.645 -4.778 -7.686 1.00 0.00 C ATOM 970 C GLY A 66 11.376 -6.225 -7.287 1.00 0.00 C ATOM 971 O GLY A 66 11.118 -7.078 -8.134 1.00 0.00 O ATOM 0 H GLY A 66 11.962 -3.461 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.125 -4.551 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.710 -4.641 -7.875 1.00 0.00 H new ATOM 975 N ARG A 67 11.446 -6.494 -5.986 1.00 0.00 N ATOM 976 CA ARG A 67 11.213 -7.848 -5.488 1.00 0.00 C ATOM 977 C ARG A 67 10.017 -7.880 -4.540 1.00 0.00 C ATOM 978 O ARG A 67 10.001 -8.629 -3.563 1.00 0.00 O ATOM 979 CB ARG A 67 12.450 -8.365 -4.750 1.00 0.00 C ATOM 980 CG ARG A 67 12.312 -9.871 -4.519 1.00 0.00 C ATOM 981 CD ARG A 67 13.691 -10.528 -4.592 1.00 0.00 C ATOM 982 NE ARG A 67 14.395 -10.387 -3.321 1.00 0.00 N ATOM 983 CZ ARG A 67 14.877 -9.209 -2.933 1.00 0.00 C ATOM 984 NH1 ARG A 67 15.682 -8.544 -3.714 1.00 0.00 N ATOM 985 NH2 ARG A 67 14.543 -8.719 -1.770 1.00 0.00 N ATOM 0 H ARG A 67 11.659 -5.804 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 67 11.006 -8.487 -6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.348 -8.156 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.561 -7.848 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.859 -10.060 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.651 -10.305 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.584 -11.584 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.276 -10.071 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 67 14.519 -11.203 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.942 -8.927 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.051 -7.641 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.913 -9.239 -1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.912 -7.816 -1.472 1.00 0.00 H new ATOM 999 N VAL A 68 9.009 -7.064 -4.840 1.00 0.00 N ATOM 1000 CA VAL A 68 7.813 -7.018 -4.004 1.00 0.00 C ATOM 1001 C VAL A 68 7.054 -8.345 -4.103 1.00 0.00 C ATOM 1002 O VAL A 68 6.360 -8.616 -5.082 1.00 0.00 O ATOM 1003 CB VAL A 68 6.905 -5.846 -4.423 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.451 -6.020 -5.874 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.674 -5.787 -3.510 1.00 0.00 C ATOM 0 H VAL A 68 8.995 -6.435 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 68 8.115 -6.862 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 68 7.471 -4.919 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.810 -5.185 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.323 -6.046 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.896 -6.953 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.037 -4.956 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.116 -6.720 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.993 -5.643 -2.478 1.00 0.00 H new ATOM 1015 N ASP A 69 7.206 -9.173 -3.072 1.00 0.00 N ATOM 1016 CA ASP A 69 6.541 -10.472 -3.048 1.00 0.00 C ATOM 1017 C ASP A 69 5.134 -10.341 -2.473 1.00 0.00 C ATOM 1018 O ASP A 69 4.220 -11.072 -2.856 1.00 0.00 O ATOM 1019 CB ASP A 69 7.335 -11.467 -2.199 1.00 0.00 C ATOM 1020 CG ASP A 69 7.567 -10.882 -0.810 1.00 0.00 C ATOM 1021 OD1 ASP A 69 6.689 -11.022 0.025 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.620 -10.302 -0.601 1.00 0.00 O ATOM 0 H ASP A 69 7.777 -8.971 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 69 6.482 -10.837 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.792 -12.409 -2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.290 -11.687 -2.676 1.00 0.00 H new ATOM 1027 N THR A 70 4.970 -9.401 -1.547 1.00 0.00 N ATOM 1028 CA THR A 70 3.669 -9.183 -0.921 1.00 0.00 C ATOM 1029 C THR A 70 2.878 -8.114 -1.686 1.00 0.00 C ATOM 1030 O THR A 70 3.466 -7.214 -2.285 1.00 0.00 O ATOM 1031 CB THR A 70 3.839 -8.734 0.533 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.031 -7.971 0.656 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.919 -9.961 1.440 1.00 0.00 C ATOM 0 H THR A 70 5.712 -8.784 -1.216 1.00 0.00 H new ATOM 0 HA THR A 70 3.123 -10.126 -0.946 1.00 0.00 H new ATOM 0 HB THR A 70 2.986 -8.123 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.225 -7.817 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.040 -9.641 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.003 -10.544 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.771 -10.574 1.148 1.00 0.00 H new ATOM 1041 N PRO A 71 1.536 -8.196 -1.676 1.00 0.00 N ATOM 1042 CA PRO A 71 0.689 -7.214 -2.381 1.00 0.00 C ATOM 1043 C PRO A 71 0.463 -5.951 -1.553 1.00 0.00 C ATOM 1044 O PRO A 71 0.629 -4.832 -2.037 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.618 -7.977 -2.550 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.660 -9.040 -1.456 1.00 0.00 C ATOM 1047 CD PRO A 71 0.776 -9.256 -0.973 1.00 0.00 C ATOM 0 HA PRO A 71 1.133 -6.866 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.471 -7.304 -2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.671 -8.437 -3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.298 -8.718 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.080 -9.970 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.855 -9.157 0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.141 -10.250 -1.230 1.00 0.00 H new ATOM 1055 N ARG A 72 0.080 -6.151 -0.294 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.171 -5.031 0.611 1.00 0.00 C ATOM 1057 C ARG A 72 1.077 -4.162 0.763 1.00 0.00 C ATOM 1058 O ARG A 72 0.984 -2.972 1.052 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.592 -5.545 1.990 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.097 -4.376 2.843 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.621 -4.266 2.728 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.266 -4.751 3.945 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.288 -4.095 4.486 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.390 -3.930 3.807 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.189 -3.614 5.696 1.00 0.00 N ATOM 0 H ARG A 72 -0.063 -7.072 0.121 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.973 -4.431 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.374 -6.297 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.252 -6.029 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.812 -4.525 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.631 -3.447 2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.903 -3.228 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.969 -4.843 1.871 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.927 -5.606 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.467 -4.304 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.174 -3.427 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.327 -3.741 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.973 -3.111 6.111 1.00 0.00 H new ATOM 1079 N GLU A 73 2.246 -4.768 0.566 1.00 0.00 N ATOM 1080 CA GLU A 73 3.502 -4.031 0.687 1.00 0.00 C ATOM 1081 C GLU A 73 3.591 -2.953 -0.387 1.00 0.00 C ATOM 1082 O GLU A 73 4.074 -1.848 -0.140 1.00 0.00 O ATOM 1083 CB GLU A 73 4.695 -4.978 0.542 1.00 0.00 C ATOM 1084 CG GLU A 73 5.976 -4.256 0.962 1.00 0.00 C ATOM 1085 CD GLU A 73 6.186 -4.423 2.463 1.00 0.00 C ATOM 1086 OE1 GLU A 73 5.451 -3.806 3.217 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.078 -5.167 2.837 1.00 0.00 O ATOM 0 H GLU A 73 2.350 -5.754 0.325 1.00 0.00 H new ATOM 0 HA GLU A 73 3.526 -3.566 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.546 -5.864 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.779 -5.318 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.829 -4.661 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.909 -3.198 0.709 1.00 0.00 H new ATOM 1094 N LEU A 74 3.118 -3.287 -1.585 1.00 0.00 N ATOM 1095 CA LEU A 74 3.144 -2.343 -2.701 1.00 0.00 C ATOM 1096 C LEU A 74 2.347 -1.084 -2.360 1.00 0.00 C ATOM 1097 O LEU A 74 2.808 0.037 -2.576 1.00 0.00 O ATOM 1098 CB LEU A 74 2.552 -2.993 -3.958 1.00 0.00 C ATOM 1099 CG LEU A 74 3.345 -2.557 -5.191 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.643 -3.361 -5.275 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.508 -2.811 -6.448 1.00 0.00 C ATOM 0 H LEU A 74 2.715 -4.197 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 74 4.182 -2.067 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.578 -4.079 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.506 -2.707 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 74 3.580 -1.495 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.208 -3.050 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.239 -3.184 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.409 -4.423 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.071 -2.501 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.275 -3.873 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.582 -2.240 -6.390 1.00 0.00 H new ATOM 1113 N LEU A 75 1.145 -1.284 -1.823 1.00 0.00 N ATOM 1114 CA LEU A 75 0.282 -0.160 -1.451 1.00 0.00 C ATOM 1115 C LEU A 75 0.979 0.750 -0.439 1.00 0.00 C ATOM 1116 O LEU A 75 1.107 1.949 -0.657 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.031 -0.682 -0.847 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.975 0.482 -0.514 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.767 0.880 -1.759 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.950 0.044 0.582 1.00 0.00 C ATOM 0 H LEU A 75 0.747 -2.205 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 75 0.068 0.415 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.516 -1.361 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.819 -1.255 0.056 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.388 1.334 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.435 1.706 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.078 1.189 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.354 0.029 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.622 0.868 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.532 -0.809 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.391 -0.239 1.474 1.00 0.00 H new ATOM 1132 N ASP A 76 1.411 0.172 0.676 1.00 0.00 N ATOM 1133 CA ASP A 76 2.077 0.949 1.722 1.00 0.00 C ATOM 1134 C ASP A 76 3.345 1.634 1.201 1.00 0.00 C ATOM 1135 O ASP A 76 3.832 2.593 1.802 1.00 0.00 O ATOM 1136 CB ASP A 76 2.456 0.042 2.896 1.00 0.00 C ATOM 1137 CG ASP A 76 1.227 -0.211 3.761 1.00 0.00 C ATOM 1138 OD1 ASP A 76 0.623 0.756 4.197 1.00 0.00 O ATOM 1139 OD2 ASP A 76 0.905 -1.367 3.977 1.00 0.00 O ATOM 0 H ASP A 76 1.315 -0.823 0.881 1.00 0.00 H new ATOM 0 HA ASP A 76 1.374 1.716 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.854 -0.903 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.242 0.508 3.490 1.00 0.00 H new ATOM 1144 N LEU A 77 3.884 1.133 0.092 1.00 0.00 N ATOM 1145 CA LEU A 77 5.104 1.706 -0.478 1.00 0.00 C ATOM 1146 C LEU A 77 4.819 3.032 -1.184 1.00 0.00 C ATOM 1147 O LEU A 77 5.285 4.090 -0.760 1.00 0.00 O ATOM 1148 CB LEU A 77 5.726 0.732 -1.487 1.00 0.00 C ATOM 1149 CG LEU A 77 7.254 0.886 -1.516 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.633 2.324 -1.895 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.845 0.535 -0.141 1.00 0.00 C ATOM 0 H LEU A 77 3.502 0.341 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 77 5.796 1.885 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.463 -0.292 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.317 0.919 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 77 7.661 0.204 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.718 2.422 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.232 2.558 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.218 3.015 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.929 0.647 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.432 1.204 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.594 -0.495 0.111 1.00 0.00 H new ATOM 1163 N ILE A 78 4.062 2.958 -2.276 1.00 0.00 N ATOM 1164 CA ILE A 78 3.729 4.154 -3.058 1.00 0.00 C ATOM 1165 C ILE A 78 3.073 5.224 -2.181 1.00 0.00 C ATOM 1166 O ILE A 78 3.304 6.418 -2.357 1.00 0.00 O ATOM 1167 CB ILE A 78 2.773 3.786 -4.207 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.410 2.704 -5.098 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.466 5.025 -5.056 1.00 0.00 C ATOM 1170 CD1 ILE A 78 4.740 3.205 -5.680 1.00 0.00 C ATOM 0 H ILE A 78 3.668 2.091 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 78 4.658 4.555 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 78 1.847 3.404 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.579 1.798 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.728 2.442 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.789 4.753 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.998 5.787 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.393 5.418 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.178 2.429 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.562 4.098 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.426 3.444 -4.867 1.00 0.00 H new ATOM 1182 N ASN A 79 2.242 4.778 -1.254 1.00 0.00 N ATOM 1183 CA ASN A 79 1.534 5.690 -0.358 1.00 0.00 C ATOM 1184 C ASN A 79 2.512 6.539 0.453 1.00 0.00 C ATOM 1185 O ASN A 79 2.324 7.745 0.609 1.00 0.00 O ATOM 1186 CB ASN A 79 0.645 4.894 0.605 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.693 5.601 0.785 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.774 6.827 0.714 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.761 4.887 1.010 1.00 0.00 N ATOM 0 H ASN A 79 2.038 3.791 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 79 0.921 6.351 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.485 3.888 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.142 4.789 1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.665 5.345 1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.692 3.871 1.069 1.00 0.00 H new ATOM 1196 N GLY A 80 3.549 5.895 0.978 1.00 0.00 N ATOM 1197 CA GLY A 80 4.543 6.601 1.785 1.00 0.00 C ATOM 1198 C GLY A 80 5.357 7.573 0.936 1.00 0.00 C ATOM 1199 O GLY A 80 5.825 8.602 1.424 1.00 0.00 O ATOM 0 H GLY A 80 3.724 4.897 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.044 7.145 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.210 5.880 2.257 1.00 0.00 H new ATOM 1203 N ALA A 81 5.528 7.235 -0.338 1.00 0.00 N ATOM 1204 CA ALA A 81 6.298 8.083 -1.245 1.00 0.00 C ATOM 1205 C ALA A 81 5.599 9.425 -1.466 1.00 0.00 C ATOM 1206 O ALA A 81 6.133 10.480 -1.128 1.00 0.00 O ATOM 1207 CB ALA A 81 6.483 7.389 -2.594 1.00 0.00 C ATOM 0 H ALA A 81 5.149 6.389 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 81 7.271 8.260 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.058 8.033 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.015 6.449 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.507 7.189 -3.037 1.00 0.00 H new ATOM 1213 N LEU A 82 4.404 9.371 -2.048 1.00 0.00 N ATOM 1214 CA LEU A 82 3.640 10.588 -2.321 1.00 0.00 C ATOM 1215 C LEU A 82 3.278 11.315 -1.025 1.00 0.00 C ATOM 1216 O LEU A 82 3.055 12.526 -1.024 1.00 0.00 O ATOM 1217 CB LEU A 82 2.356 10.256 -3.085 1.00 0.00 C ATOM 1218 CG LEU A 82 1.528 9.238 -2.290 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.454 9.970 -1.482 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.856 8.260 -3.259 1.00 0.00 C ATOM 0 H LEU A 82 3.946 8.507 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 82 4.268 11.239 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.774 11.163 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.600 9.852 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 82 2.182 8.690 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.134 9.246 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.930 10.668 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.200 10.519 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.267 7.536 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.203 8.810 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.619 7.737 -3.836 1.00 0.00 H new ATOM 1232 N ALA A 83 3.217 10.568 0.076 1.00 0.00 N ATOM 1233 CA ALA A 83 2.876 11.161 1.369 1.00 0.00 C ATOM 1234 C ALA A 83 3.884 12.244 1.747 1.00 0.00 C ATOM 1235 O ALA A 83 3.540 13.237 2.388 1.00 0.00 O ATOM 1236 CB ALA A 83 2.863 10.091 2.462 1.00 0.00 C ATOM 0 H ALA A 83 3.396 9.564 0.101 1.00 0.00 H new ATOM 0 HA ALA A 83 1.884 11.605 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.608 10.550 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.124 9.329 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.849 9.631 2.533 1.00 0.00 H new ATOM 1242 N GLU A 84 5.133 12.039 1.338 1.00 0.00 N ATOM 1243 CA GLU A 84 6.189 13.001 1.634 1.00 0.00 C ATOM 1244 C GLU A 84 5.961 14.299 0.866 1.00 0.00 C ATOM 1245 O GLU A 84 6.267 15.388 1.350 1.00 0.00 O ATOM 1246 CB GLU A 84 7.556 12.430 1.249 1.00 0.00 C ATOM 1247 CG GLU A 84 8.624 12.973 2.200 1.00 0.00 C ATOM 1248 CD GLU A 84 8.820 14.463 1.946 1.00 0.00 C ATOM 1249 OE1 GLU A 84 9.164 14.814 0.828 1.00 0.00 O ATOM 1250 OE2 GLU A 84 8.621 15.233 2.871 1.00 0.00 O ATOM 0 H GLU A 84 5.436 11.223 0.806 1.00 0.00 H new ATOM 0 HA GLU A 84 6.167 13.204 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.533 11.341 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.798 12.700 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.324 12.806 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.564 12.441 2.051 1.00 0.00 H new ATOM 1257 N ALA A 85 5.419 14.168 -0.342 1.00 0.00 N ATOM 1258 CA ALA A 85 5.153 15.336 -1.178 1.00 0.00 C ATOM 1259 C ALA A 85 3.672 15.705 -1.126 1.00 0.00 C ATOM 1260 O ALA A 85 3.102 16.184 -2.106 1.00 0.00 O ATOM 1261 CB ALA A 85 5.546 15.057 -2.630 1.00 0.00 C ATOM 0 H ALA A 85 5.158 13.275 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 85 5.747 16.165 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.341 15.938 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.609 14.821 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.969 14.213 -3.007 1.00 0.00 H new ATOM 1267 N ALA A 86 3.058 15.476 0.031 1.00 0.00 N ATOM 1268 CA ALA A 86 1.641 15.789 0.205 1.00 0.00 C ATOM 1269 C ALA A 86 1.472 17.193 0.776 1.00 0.00 C ATOM 1270 O ALA A 86 2.413 17.685 1.375 1.00 0.00 O ATOM 1271 CB ALA A 86 0.983 14.784 1.152 1.00 0.00 C ATOM 1272 OXT ALA A 86 0.404 17.757 0.602 1.00 0.00 O ATOM 0 H ALA A 86 3.512 15.080 0.854 1.00 0.00 H new ATOM 0 HA ALA A 86 1.162 15.734 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.072 15.032 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.075 13.780 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.476 14.823 2.123 1.00 0.00 H new