USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -3.2! C(o=-3.2!,f=-9.1!) USER MOD Set 1.2: A 66 TYR OH : rot -86:sc= 0.00101 USER MOD Single : A 13 THR OG1 : rot -170:sc= -1.39! USER MOD Single : A 16 GLN :FLIP amide:sc= -0.177 F(o=-1.1,f=-0.18) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 21 THR OG1 : rot -59:sc= 0.327 USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 23 THR OG1 : rot 69:sc= 0.91 USER MOD Single : A 24 TYR OH : rot 15:sc= 0.0446 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 28 THR OG1 : rot -5:sc= 0.721 USER MOD Single : A 33 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.057) USER MOD Single : A 35 SER OG : rot -35:sc= 0.154 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.349 F(o=-0.15,f=0.35) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 69 THR OG1 : rot -93:sc= 1.3 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.107 3.285 5.816 1.00 0.00 N ATOM 2 CA GLY A 10 10.361 4.539 5.820 1.00 0.00 C ATOM 3 C GLY A 10 9.535 4.795 4.567 1.00 0.00 C ATOM 4 O GLY A 10 8.565 4.084 4.309 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.697 4.547 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.063 5.363 5.950 1.00 0.00 H new ATOM 8 N PRO A 11 9.892 5.826 3.776 1.00 0.00 N ATOM 9 CA PRO A 11 9.168 6.178 2.561 1.00 0.00 C ATOM 10 C PRO A 11 9.552 5.297 1.381 1.00 0.00 C ATOM 11 O PRO A 11 10.715 4.928 1.208 1.00 0.00 O ATOM 12 CB PRO A 11 9.573 7.631 2.284 1.00 0.00 C ATOM 13 CG PRO A 11 10.604 7.995 3.309 1.00 0.00 C ATOM 14 CD PRO A 11 11.031 6.725 3.995 1.00 0.00 C ATOM 0 HA PRO A 11 8.094 6.043 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.976 7.735 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.710 8.293 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.458 8.481 2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.194 8.701 4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.949 6.324 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.220 6.885 5.057 1.00 0.00 H new ATOM 22 N PHE A 12 8.568 4.974 0.565 1.00 0.00 N ATOM 23 CA PHE A 12 8.784 4.123 -0.599 1.00 0.00 C ATOM 24 C PHE A 12 8.618 4.914 -1.893 1.00 0.00 C ATOM 25 O PHE A 12 8.519 6.144 -1.872 1.00 0.00 O ATOM 26 CB PHE A 12 7.826 2.924 -0.575 1.00 0.00 C ATOM 27 CG PHE A 12 6.372 3.277 -0.379 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.899 3.657 0.867 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.475 3.209 -1.435 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.569 3.962 1.054 1.00 0.00 C ATOM 31 CE2 PHE A 12 4.142 3.517 -1.249 1.00 0.00 C ATOM 32 CZ PHE A 12 3.690 3.894 -0.003 1.00 0.00 C ATOM 0 H PHE A 12 7.605 5.288 0.684 1.00 0.00 H new ATOM 0 HA PHE A 12 9.807 3.750 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.929 2.376 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.132 2.249 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.582 3.715 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.823 2.912 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.215 4.255 2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.454 3.462 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.648 4.136 0.144 1.00 0.00 H new ATOM 42 N THR A 13 8.617 4.204 -3.016 1.00 0.00 N ATOM 43 CA THR A 13 8.443 4.828 -4.318 1.00 0.00 C ATOM 44 C THR A 13 7.278 4.189 -5.054 1.00 0.00 C ATOM 45 O THR A 13 6.657 3.249 -4.552 1.00 0.00 O ATOM 46 CB THR A 13 9.710 4.698 -5.191 1.00 0.00 C ATOM 47 OG1 THR A 13 9.835 3.363 -5.694 1.00 0.00 O ATOM 48 CG2 THR A 13 10.949 5.033 -4.386 1.00 0.00 C ATOM 0 H THR A 13 8.735 3.191 -3.048 1.00 0.00 H new ATOM 0 HA THR A 13 8.247 5.886 -4.143 1.00 0.00 H new ATOM 0 HB THR A 13 9.616 5.397 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.715 3.251 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.831 4.936 -5.019 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.878 6.056 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.031 4.348 -3.542 1.00 0.00 H new ATOM 56 N ARG A 14 7.013 4.671 -6.258 1.00 0.00 N ATOM 57 CA ARG A 14 5.937 4.192 -7.064 1.00 0.00 C ATOM 58 C ARG A 14 6.176 2.747 -7.477 1.00 0.00 C ATOM 59 O ARG A 14 5.332 1.880 -7.262 1.00 0.00 O ATOM 60 CB ARG A 14 5.913 5.095 -8.263 1.00 0.00 C ATOM 61 CG ARG A 14 4.780 4.886 -9.210 1.00 0.00 C ATOM 62 CD ARG A 14 5.068 5.694 -10.440 1.00 0.00 C ATOM 63 NE ARG A 14 4.149 6.814 -10.610 1.00 0.00 N ATOM 64 CZ ARG A 14 4.465 7.936 -11.254 1.00 0.00 C ATOM 65 NH1 ARG A 14 5.635 8.041 -11.879 1.00 0.00 N ATOM 66 NH2 ARG A 14 3.603 8.942 -11.278 1.00 0.00 N ATOM 0 H ARG A 14 7.556 5.416 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 14 4.988 4.205 -6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.886 6.128 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.847 4.967 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.679 3.830 -9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.839 5.198 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.089 6.072 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.011 5.047 -11.315 1.00 0.00 H new ATOM 0 HE ARG A 14 3.213 6.733 -10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.292 7.261 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.875 8.901 -12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.704 8.854 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.839 9.804 -11.769 1.00 0.00 H new ATOM 80 N ARG A 15 7.342 2.500 -8.070 1.00 0.00 N ATOM 81 CA ARG A 15 7.716 1.162 -8.499 1.00 0.00 C ATOM 82 C ARG A 15 7.810 0.208 -7.312 1.00 0.00 C ATOM 83 O ARG A 15 7.445 -0.962 -7.421 1.00 0.00 O ATOM 84 CB ARG A 15 9.042 1.187 -9.262 1.00 0.00 C ATOM 85 CG ARG A 15 10.229 1.673 -8.446 1.00 0.00 C ATOM 86 CD ARG A 15 11.534 1.424 -9.180 1.00 0.00 C ATOM 87 NE ARG A 15 12.695 1.914 -8.437 1.00 0.00 N ATOM 88 CZ ARG A 15 13.680 1.129 -7.995 1.00 0.00 C ATOM 89 NH1 ARG A 15 13.584 -0.189 -8.109 1.00 0.00 N ATOM 90 NH2 ARG A 15 14.749 1.661 -7.416 1.00 0.00 N ATOM 0 H ARG A 15 8.044 3.215 -8.263 1.00 0.00 H new ATOM 0 HA ARG A 15 6.935 0.800 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.255 0.183 -9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.931 1.828 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.121 2.738 -8.240 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.246 1.162 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.647 0.355 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.498 1.911 -10.155 1.00 0.00 H new ATOM 0 HE ARG A 15 12.755 2.914 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.756 -0.605 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.338 -0.786 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.820 2.673 -7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.500 1.058 -7.079 1.00 0.00 H new ATOM 104 N GLN A 16 8.289 0.709 -6.172 1.00 0.00 N ATOM 105 CA GLN A 16 8.348 -0.101 -4.960 1.00 0.00 C ATOM 106 C GLN A 16 6.943 -0.507 -4.551 1.00 0.00 C ATOM 107 O GLN A 16 6.682 -1.677 -4.279 1.00 0.00 O ATOM 108 CB GLN A 16 9.035 0.650 -3.815 1.00 0.00 C ATOM 109 CG GLN A 16 10.514 0.920 -4.054 1.00 0.00 C ATOM 110 CD GLN A 16 11.329 -0.351 -4.217 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.922 -1.410 -3.535 1.00 0.00 O flip ATOM 112 NE2 GLN A 16 12.323 -0.371 -4.936 1.00 0.00 N flip ATOM 0 H GLN A 16 8.638 1.662 -6.065 1.00 0.00 H new ATOM 0 HA GLN A 16 8.940 -0.991 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.523 1.599 -3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.925 0.073 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.626 1.534 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.912 1.496 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.602 0.468 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.871 -1.227 -5.025 1.00 0.00 H new ATOM 121 N ALA A 17 6.043 0.470 -4.526 1.00 0.00 N ATOM 122 CA ALA A 17 4.632 0.216 -4.244 1.00 0.00 C ATOM 123 C ALA A 17 4.063 -0.833 -5.199 1.00 0.00 C ATOM 124 O ALA A 17 3.411 -1.790 -4.769 1.00 0.00 O ATOM 125 CB ALA A 17 3.835 1.509 -4.346 1.00 0.00 C ATOM 0 H ALA A 17 6.266 1.450 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 17 4.552 -0.171 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.785 1.307 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.219 2.231 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.930 1.916 -5.353 1.00 0.00 H new ATOM 131 N GLN A 18 4.332 -0.653 -6.491 1.00 0.00 N ATOM 132 CA GLN A 18 3.860 -1.570 -7.519 1.00 0.00 C ATOM 133 C GLN A 18 4.343 -2.992 -7.260 1.00 0.00 C ATOM 134 O GLN A 18 3.586 -3.954 -7.399 1.00 0.00 O ATOM 135 CB GLN A 18 4.333 -1.104 -8.893 1.00 0.00 C ATOM 136 CG GLN A 18 3.697 0.197 -9.352 1.00 0.00 C ATOM 137 CD GLN A 18 4.178 0.636 -10.721 1.00 0.00 C ATOM 138 OE1 GLN A 18 5.308 0.351 -11.119 1.00 0.00 O ATOM 139 NE2 GLN A 18 3.317 1.323 -11.457 1.00 0.00 N ATOM 0 H GLN A 18 4.880 0.129 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 18 2.770 -1.572 -7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.416 -0.980 -8.871 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.115 -1.882 -9.625 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.614 0.079 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.918 0.980 -8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.390 1.538 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.581 1.637 -12.391 1.00 0.00 H new ATOM 148 N ALA A 19 5.604 -3.123 -6.871 1.00 0.00 N ATOM 149 CA ALA A 19 6.174 -4.427 -6.557 1.00 0.00 C ATOM 150 C ALA A 19 5.455 -5.067 -5.372 1.00 0.00 C ATOM 151 O ALA A 19 5.256 -6.284 -5.333 1.00 0.00 O ATOM 152 CB ALA A 19 7.663 -4.299 -6.271 1.00 0.00 C ATOM 0 H ALA A 19 6.252 -2.342 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 19 6.039 -5.075 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.075 -5.281 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.168 -3.892 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.814 -3.632 -5.423 1.00 0.00 H new ATOM 158 N VAL A 20 5.026 -4.243 -4.424 1.00 0.00 N ATOM 159 CA VAL A 20 4.366 -4.745 -3.230 1.00 0.00 C ATOM 160 C VAL A 20 2.905 -5.084 -3.532 1.00 0.00 C ATOM 161 O VAL A 20 2.270 -5.834 -2.799 1.00 0.00 O ATOM 162 CB VAL A 20 4.452 -3.738 -2.059 1.00 0.00 C ATOM 163 CG1 VAL A 20 3.911 -4.340 -0.771 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.885 -3.285 -1.853 1.00 0.00 C ATOM 0 H VAL A 20 5.124 -3.228 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 20 4.887 -5.652 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 20 3.837 -2.876 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.986 -3.607 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.867 -4.620 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.492 -5.224 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.927 -2.577 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.510 -4.148 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.249 -2.804 -2.761 1.00 0.00 H new ATOM 174 N THR A 21 2.391 -4.580 -4.650 1.00 0.00 N ATOM 175 CA THR A 21 1.022 -4.890 -5.049 1.00 0.00 C ATOM 176 C THR A 21 1.057 -6.093 -5.950 1.00 0.00 C ATOM 177 O THR A 21 0.099 -6.856 -6.061 1.00 0.00 O ATOM 178 CB THR A 21 0.333 -3.726 -5.774 1.00 0.00 C ATOM 179 OG1 THR A 21 1.287 -2.712 -6.107 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.759 -3.145 -4.907 1.00 0.00 C ATOM 0 H THR A 21 2.894 -3.963 -5.288 1.00 0.00 H new ATOM 0 HA THR A 21 0.442 -5.083 -4.146 1.00 0.00 H new ATOM 0 HB THR A 21 -0.111 -4.104 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.721 -2.390 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.240 -2.320 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.498 -3.916 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.328 -2.779 -3.975 1.00 0.00 H new ATOM 188 N THR A 22 2.195 -6.236 -6.594 1.00 0.00 N ATOM 189 CA THR A 22 2.538 -7.438 -7.302 1.00 0.00 C ATOM 190 C THR A 22 2.584 -8.608 -6.323 1.00 0.00 C ATOM 191 O THR A 22 2.244 -9.742 -6.660 1.00 0.00 O ATOM 192 CB THR A 22 3.907 -7.262 -7.980 1.00 0.00 C ATOM 193 OG1 THR A 22 3.851 -6.192 -8.934 1.00 0.00 O ATOM 194 CG2 THR A 22 4.350 -8.532 -8.664 1.00 0.00 C ATOM 0 H THR A 22 2.911 -5.511 -6.638 1.00 0.00 H new ATOM 0 HA THR A 22 1.787 -7.641 -8.066 1.00 0.00 H new ATOM 0 HB THR A 22 4.635 -7.021 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.801 -5.335 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.321 -8.373 -9.133 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.429 -9.333 -7.929 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.620 -8.809 -9.425 1.00 0.00 H new ATOM 202 N THR A 23 2.990 -8.308 -5.095 1.00 0.00 N ATOM 203 CA THR A 23 3.049 -9.310 -4.047 1.00 0.00 C ATOM 204 C THR A 23 1.704 -9.425 -3.322 1.00 0.00 C ATOM 205 O THR A 23 1.168 -10.523 -3.167 1.00 0.00 O ATOM 206 CB THR A 23 4.156 -8.983 -3.027 1.00 0.00 C ATOM 207 OG1 THR A 23 5.347 -8.573 -3.710 1.00 0.00 O ATOM 208 CG2 THR A 23 4.470 -10.193 -2.160 1.00 0.00 C ATOM 0 H THR A 23 3.283 -7.375 -4.804 1.00 0.00 H new ATOM 0 HA THR A 23 3.279 -10.263 -4.523 1.00 0.00 H new ATOM 0 HB THR A 23 3.799 -8.174 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.199 -7.700 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.255 -9.937 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.573 -10.495 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.807 -11.015 -2.791 1.00 0.00 H new ATOM 216 N TYR A 24 1.150 -8.296 -2.880 1.00 0.00 N ATOM 217 CA TYR A 24 -0.109 -8.303 -2.176 1.00 0.00 C ATOM 218 C TYR A 24 -1.138 -7.533 -2.992 1.00 0.00 C ATOM 219 O TYR A 24 -1.123 -6.308 -3.025 1.00 0.00 O ATOM 220 CB TYR A 24 0.073 -7.667 -0.793 1.00 0.00 C ATOM 221 CG TYR A 24 1.236 -8.232 -0.009 1.00 0.00 C ATOM 222 CD1 TYR A 24 2.509 -7.695 -0.153 1.00 0.00 C ATOM 223 CD2 TYR A 24 1.073 -9.297 0.860 1.00 0.00 C ATOM 224 CE1 TYR A 24 3.584 -8.204 0.547 1.00 0.00 C ATOM 225 CE2 TYR A 24 2.144 -9.812 1.564 1.00 0.00 C ATOM 226 CZ TYR A 24 3.398 -9.263 1.402 1.00 0.00 C ATOM 227 OH TYR A 24 4.468 -9.781 2.097 1.00 0.00 O ATOM 0 H TYR A 24 1.562 -7.371 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.458 -9.327 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.216 -6.593 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.842 -7.804 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.660 -6.864 -0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.093 -9.732 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.566 -7.772 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.999 -10.642 2.239 1.00 0.00 H new ATOM 0 HH TYR A 24 5.218 -9.152 2.059 1.00 0.00 H new ATOM 237 N SER A 25 -2.010 -8.252 -3.674 1.00 0.00 N ATOM 238 CA SER A 25 -3.005 -7.631 -4.527 1.00 0.00 C ATOM 239 C SER A 25 -4.204 -7.140 -3.719 1.00 0.00 C ATOM 240 O SER A 25 -5.197 -6.674 -4.279 1.00 0.00 O ATOM 241 CB SER A 25 -3.438 -8.620 -5.599 1.00 0.00 C ATOM 242 OG SER A 25 -3.766 -9.883 -5.035 1.00 0.00 O ATOM 0 H SER A 25 -2.049 -9.271 -3.653 1.00 0.00 H new ATOM 0 HA SER A 25 -2.562 -6.757 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.300 -8.224 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.638 -8.742 -6.329 1.00 0.00 H new ATOM 0 HG SER A 25 -4.042 -10.497 -5.747 1.00 0.00 H new ATOM 248 N ASN A 26 -4.102 -7.251 -2.400 1.00 0.00 N ATOM 249 CA ASN A 26 -5.096 -6.671 -1.511 1.00 0.00 C ATOM 250 C ASN A 26 -4.770 -5.201 -1.290 1.00 0.00 C ATOM 251 O ASN A 26 -5.608 -4.424 -0.835 1.00 0.00 O ATOM 252 CB ASN A 26 -5.149 -7.403 -0.163 1.00 0.00 C ATOM 253 CG ASN A 26 -3.862 -7.274 0.633 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.766 -7.277 0.078 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.987 -7.151 1.945 1.00 0.00 N ATOM 0 H ASN A 26 -3.341 -7.737 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.075 -6.773 -1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.976 -7.007 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.358 -8.459 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.157 -7.055 2.530 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.914 -7.153 2.371 1.00 0.00 H new ATOM 262 N ILE A 27 -3.534 -4.835 -1.608 1.00 0.00 N ATOM 263 CA ILE A 27 -3.128 -3.446 -1.581 1.00 0.00 C ATOM 264 C ILE A 27 -3.657 -2.771 -2.842 1.00 0.00 C ATOM 265 O ILE A 27 -3.786 -3.420 -3.882 1.00 0.00 O ATOM 266 CB ILE A 27 -1.589 -3.282 -1.525 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.916 -4.429 -0.757 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.225 -1.932 -0.918 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.514 -4.141 -0.364 1.00 0.00 C ATOM 0 H ILE A 27 -2.799 -5.485 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.536 -2.988 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.213 -3.321 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.495 -4.641 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.940 -5.329 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.140 -1.829 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.647 -1.133 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.627 -1.867 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.923 -4.996 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.108 -3.959 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.545 -3.260 0.277 1.00 0.00 H new ATOM 281 N THR A 28 -3.978 -1.491 -2.764 1.00 0.00 N ATOM 282 CA THR A 28 -4.529 -0.796 -3.918 1.00 0.00 C ATOM 283 C THR A 28 -3.994 0.625 -4.020 1.00 0.00 C ATOM 284 O THR A 28 -3.936 1.348 -3.026 1.00 0.00 O ATOM 285 CB THR A 28 -6.075 -0.774 -3.886 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.546 -0.611 -2.541 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.655 -2.050 -4.482 1.00 0.00 C ATOM 0 H THR A 28 -3.869 -0.917 -1.928 1.00 0.00 H new ATOM 0 HA THR A 28 -4.211 -1.352 -4.800 1.00 0.00 H new ATOM 0 HB THR A 28 -6.408 0.072 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.785 -0.629 -1.924 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.744 -2.006 -4.446 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.330 -2.148 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.307 -2.910 -3.909 1.00 0.00 H new ATOM 295 N LEU A 29 -3.587 1.010 -5.220 1.00 0.00 N ATOM 296 CA LEU A 29 -3.062 2.346 -5.454 1.00 0.00 C ATOM 297 C LEU A 29 -4.208 3.292 -5.783 1.00 0.00 C ATOM 298 O LEU A 29 -4.706 3.318 -6.909 1.00 0.00 O ATOM 299 CB LEU A 29 -2.027 2.317 -6.588 1.00 0.00 C ATOM 300 CG LEU A 29 -1.113 3.547 -6.700 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.116 3.212 -7.523 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.841 4.730 -7.323 1.00 0.00 C ATOM 0 H LEU A 29 -3.610 0.415 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.563 2.704 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.400 1.435 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.557 2.196 -7.533 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.811 3.828 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.756 4.091 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.665 2.402 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.189 2.902 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.164 5.582 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.181 4.462 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.700 4.995 -6.706 1.00 0.00 H new ATOM 314 N GLU A 30 -4.618 4.059 -4.791 1.00 0.00 N ATOM 315 CA GLU A 30 -5.771 4.936 -4.911 1.00 0.00 C ATOM 316 C GLU A 30 -5.331 6.389 -4.785 1.00 0.00 C ATOM 317 O GLU A 30 -4.203 6.662 -4.378 1.00 0.00 O ATOM 318 CB GLU A 30 -6.781 4.613 -3.803 1.00 0.00 C ATOM 319 CG GLU A 30 -7.122 3.134 -3.685 1.00 0.00 C ATOM 320 CD GLU A 30 -8.157 2.675 -4.688 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.058 3.043 -5.877 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.090 1.951 -4.283 1.00 0.00 O ATOM 0 H GLU A 30 -4.163 4.093 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.236 4.783 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.382 4.960 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.698 5.173 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.213 2.547 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.488 2.932 -2.678 1.00 0.00 H new ATOM 329 N ASP A 31 -6.221 7.309 -5.148 1.00 0.00 N ATOM 330 CA ASP A 31 -6.010 8.744 -4.921 1.00 0.00 C ATOM 331 C ASP A 31 -4.764 9.247 -5.646 1.00 0.00 C ATOM 332 O ASP A 31 -4.047 10.114 -5.144 1.00 0.00 O ATOM 333 CB ASP A 31 -5.883 9.022 -3.421 1.00 0.00 C ATOM 334 CG ASP A 31 -6.597 10.291 -3.008 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.841 10.246 -2.856 1.00 0.00 O ATOM 336 OD2 ASP A 31 -5.934 11.328 -2.829 1.00 0.00 O ATOM 0 H ASP A 31 -7.105 7.087 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.873 9.277 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.291 8.180 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.828 9.099 -3.156 1.00 0.00 H new ATOM 341 N ASP A 32 -4.524 8.721 -6.837 1.00 0.00 N ATOM 342 CA ASP A 32 -3.312 9.049 -7.575 1.00 0.00 C ATOM 343 C ASP A 32 -3.391 10.447 -8.176 1.00 0.00 C ATOM 344 O ASP A 32 -4.337 10.780 -8.894 1.00 0.00 O ATOM 345 CB ASP A 32 -3.044 8.026 -8.681 1.00 0.00 C ATOM 346 CG ASP A 32 -1.704 8.246 -9.361 1.00 0.00 C ATOM 347 OD1 ASP A 32 -1.574 9.210 -10.143 1.00 0.00 O ATOM 348 OD2 ASP A 32 -0.771 7.456 -9.112 1.00 0.00 O ATOM 0 H ASP A 32 -5.148 8.069 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.486 9.021 -6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.073 7.022 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.839 8.082 -9.424 1.00 0.00 H new ATOM 353 N GLN A 33 -2.396 11.254 -7.851 1.00 0.00 N ATOM 354 CA GLN A 33 -2.220 12.573 -8.437 1.00 0.00 C ATOM 355 C GLN A 33 -0.813 12.695 -9.001 1.00 0.00 C ATOM 356 O GLN A 33 -0.269 13.794 -9.135 1.00 0.00 O ATOM 357 CB GLN A 33 -2.456 13.665 -7.393 1.00 0.00 C ATOM 358 CG GLN A 33 -3.920 13.919 -7.091 1.00 0.00 C ATOM 359 CD GLN A 33 -4.679 14.413 -8.306 1.00 0.00 C ATOM 360 OE1 GLN A 33 -5.241 13.626 -9.064 1.00 0.00 O ATOM 361 NE2 GLN A 33 -4.694 15.718 -8.506 1.00 0.00 N ATOM 0 H GLN A 33 -1.680 11.010 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.948 12.699 -9.238 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.947 13.388 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.001 14.592 -7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.379 13.000 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.002 14.654 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.215 16.339 -7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.184 16.105 -9.313 1.00 0.00 H new ATOM 370 N GLY A 34 -0.231 11.557 -9.341 1.00 0.00 N ATOM 371 CA GLY A 34 1.125 11.538 -9.845 1.00 0.00 C ATOM 372 C GLY A 34 2.140 11.363 -8.737 1.00 0.00 C ATOM 373 O GLY A 34 2.479 10.240 -8.369 1.00 0.00 O ATOM 0 H GLY A 34 -0.676 10.641 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.232 10.728 -10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.327 12.467 -10.378 1.00 0.00 H new ATOM 377 N SER A 35 2.609 12.477 -8.194 1.00 0.00 N ATOM 378 CA SER A 35 3.608 12.456 -7.132 1.00 0.00 C ATOM 379 C SER A 35 2.963 12.119 -5.782 1.00 0.00 C ATOM 380 O SER A 35 3.648 11.922 -4.778 1.00 0.00 O ATOM 381 CB SER A 35 4.319 13.814 -7.066 1.00 0.00 C ATOM 382 OG SER A 35 5.433 13.781 -6.191 1.00 0.00 O ATOM 0 H SER A 35 2.313 13.412 -8.472 1.00 0.00 H new ATOM 0 HA SER A 35 4.341 11.680 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.649 14.101 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.616 14.577 -6.731 1.00 0.00 H new ATOM 0 HG SER A 35 5.237 13.191 -5.434 1.00 0.00 H new ATOM 388 N HIS A 36 1.640 12.053 -5.764 1.00 0.00 N ATOM 389 CA HIS A 36 0.906 11.734 -4.546 1.00 0.00 C ATOM 390 C HIS A 36 -0.120 10.652 -4.830 1.00 0.00 C ATOM 391 O HIS A 36 -0.767 10.675 -5.871 1.00 0.00 O ATOM 392 CB HIS A 36 0.210 12.982 -3.987 1.00 0.00 C ATOM 393 CG HIS A 36 1.151 14.099 -3.655 1.00 0.00 C ATOM 394 ND1 HIS A 36 1.282 15.223 -4.436 1.00 0.00 N ATOM 395 CD2 HIS A 36 2.019 14.255 -2.630 1.00 0.00 C ATOM 396 CE1 HIS A 36 2.189 16.020 -3.910 1.00 0.00 C ATOM 397 NE2 HIS A 36 2.655 15.459 -2.811 1.00 0.00 N ATOM 0 H HIS A 36 1.051 12.216 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 36 1.614 11.372 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.519 13.337 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.344 12.707 -3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.182 13.561 -1.819 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.499 16.973 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.368 15.853 -2.198 1.00 0.00 H new ATOM 406 N PHE A 37 -0.245 9.705 -3.914 1.00 0.00 N ATOM 407 CA PHE A 37 -1.211 8.625 -4.032 1.00 0.00 C ATOM 408 C PHE A 37 -1.279 7.895 -2.706 1.00 0.00 C ATOM 409 O PHE A 37 -0.426 8.104 -1.853 1.00 0.00 O ATOM 410 CB PHE A 37 -0.836 7.658 -5.167 1.00 0.00 C ATOM 411 CG PHE A 37 0.507 6.993 -5.010 1.00 0.00 C ATOM 412 CD1 PHE A 37 0.626 5.778 -4.351 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.645 7.573 -5.546 1.00 0.00 C ATOM 414 CE1 PHE A 37 1.853 5.161 -4.221 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.879 6.960 -5.417 1.00 0.00 C ATOM 416 CZ PHE A 37 2.981 5.749 -4.757 1.00 0.00 C ATOM 0 H PHE A 37 0.321 9.664 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.188 9.041 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.602 6.886 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.848 8.204 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.253 5.309 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.568 8.514 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.931 4.218 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.761 7.426 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.941 5.264 -4.661 1.00 0.00 H new ATOM 426 N ARG A 38 -2.288 7.064 -2.523 1.00 0.00 N ATOM 427 CA ARG A 38 -2.439 6.319 -1.281 1.00 0.00 C ATOM 428 C ARG A 38 -2.617 4.842 -1.577 1.00 0.00 C ATOM 429 O ARG A 38 -3.411 4.466 -2.434 1.00 0.00 O ATOM 430 CB ARG A 38 -3.662 6.802 -0.494 1.00 0.00 C ATOM 431 CG ARG A 38 -3.716 8.302 -0.270 1.00 0.00 C ATOM 432 CD ARG A 38 -4.955 8.701 0.519 1.00 0.00 C ATOM 433 NE ARG A 38 -6.190 8.261 -0.134 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.416 8.535 0.315 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.584 9.319 1.374 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.477 8.050 -0.321 1.00 0.00 N ATOM 0 H ARG A 38 -3.016 6.886 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.539 6.482 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.564 6.494 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.675 6.302 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.823 8.624 0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.714 8.815 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.901 8.271 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.975 9.784 0.638 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.107 7.709 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.773 9.715 1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.524 9.525 1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.353 7.470 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.415 8.258 0.020 1.00 0.00 H new ATOM 450 N LEU A 39 -1.887 4.008 -0.868 1.00 0.00 N ATOM 451 CA LEU A 39 -2.064 2.577 -0.979 1.00 0.00 C ATOM 452 C LEU A 39 -2.993 2.093 0.112 1.00 0.00 C ATOM 453 O LEU A 39 -2.642 2.079 1.294 1.00 0.00 O ATOM 454 CB LEU A 39 -0.733 1.854 -0.883 1.00 0.00 C ATOM 455 CG LEU A 39 0.288 2.258 -1.928 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.623 1.644 -1.587 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.153 1.827 -3.319 1.00 0.00 C ATOM 0 H LEU A 39 -1.165 4.297 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.500 2.358 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.310 2.032 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.911 0.782 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 39 0.377 3.344 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.359 1.933 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.946 1.996 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.530 0.558 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.598 2.130 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.268 0.743 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.105 2.299 -3.561 1.00 0.00 H new ATOM 469 N VAL A 40 -4.190 1.740 -0.289 1.00 0.00 N ATOM 470 CA VAL A 40 -5.176 1.212 0.631 1.00 0.00 C ATOM 471 C VAL A 40 -5.045 -0.300 0.718 1.00 0.00 C ATOM 472 O VAL A 40 -5.222 -1.008 -0.272 1.00 0.00 O ATOM 473 CB VAL A 40 -6.612 1.581 0.200 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.632 1.045 1.191 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.754 3.088 0.053 1.00 0.00 C ATOM 0 H VAL A 40 -4.510 1.809 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.990 1.658 1.608 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.804 1.118 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.635 1.319 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.551 -0.041 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.442 1.472 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.772 3.330 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.537 3.569 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.055 3.447 -0.702 1.00 0.00 H new ATOM 485 N VAL A 41 -4.713 -0.790 1.896 1.00 0.00 N ATOM 486 CA VAL A 41 -4.599 -2.217 2.112 1.00 0.00 C ATOM 487 C VAL A 41 -5.949 -2.774 2.541 1.00 0.00 C ATOM 488 O VAL A 41 -6.440 -2.475 3.634 1.00 0.00 O ATOM 489 CB VAL A 41 -3.542 -2.561 3.183 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.340 -4.061 3.257 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.221 -1.862 2.894 1.00 0.00 C ATOM 0 H VAL A 41 -4.517 -0.219 2.719 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.280 -2.668 1.173 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.907 -2.206 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.592 -4.290 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.282 -4.543 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.000 -4.431 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.495 -2.123 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.847 -2.179 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.374 -0.783 2.890 1.00 0.00 H new ATOM 501 N ARG A 42 -6.560 -3.550 1.665 1.00 0.00 N ATOM 502 CA ARG A 42 -7.868 -4.126 1.934 1.00 0.00 C ATOM 503 C ARG A 42 -7.735 -5.552 2.452 1.00 0.00 C ATOM 504 O ARG A 42 -6.640 -6.120 2.469 1.00 0.00 O ATOM 505 CB ARG A 42 -8.729 -4.083 0.669 1.00 0.00 C ATOM 506 CG ARG A 42 -9.170 -2.675 0.293 1.00 0.00 C ATOM 507 CD ARG A 42 -9.761 -2.617 -1.109 1.00 0.00 C ATOM 508 NE ARG A 42 -10.707 -1.510 -1.267 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.486 -0.413 -1.997 1.00 0.00 C ATOM 510 NH1 ARG A 42 -9.322 -0.220 -2.606 1.00 0.00 N ATOM 511 NH2 ARG A 42 -11.439 0.500 -2.107 1.00 0.00 N ATOM 0 H ARG A 42 -6.170 -3.798 0.756 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.357 -3.535 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.168 -4.515 -0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.611 -4.706 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.909 -2.322 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.317 -1.999 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.956 -2.511 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.266 -3.558 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.602 -1.582 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.580 -0.915 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.170 0.623 -3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.333 0.363 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.279 1.340 -2.662 1.00 0.00 H new ATOM 525 N ASP A 43 -8.848 -6.118 2.889 1.00 0.00 N ATOM 526 CA ASP A 43 -8.853 -7.471 3.436 1.00 0.00 C ATOM 527 C ASP A 43 -9.436 -8.455 2.428 1.00 0.00 C ATOM 528 O ASP A 43 -9.665 -8.112 1.269 1.00 0.00 O ATOM 529 CB ASP A 43 -9.665 -7.530 4.739 1.00 0.00 C ATOM 530 CG ASP A 43 -11.158 -7.669 4.497 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.757 -6.766 3.886 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.728 -8.716 4.879 1.00 0.00 O ATOM 0 H ASP A 43 -9.761 -5.664 2.877 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.821 -7.748 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.319 -8.371 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.478 -6.626 5.319 1.00 0.00 H new ATOM 537 N THR A 44 -9.701 -9.669 2.899 1.00 0.00 N ATOM 538 CA THR A 44 -10.245 -10.736 2.069 1.00 0.00 C ATOM 539 C THR A 44 -11.636 -10.392 1.526 1.00 0.00 C ATOM 540 O THR A 44 -12.074 -10.950 0.519 1.00 0.00 O ATOM 541 CB THR A 44 -10.319 -12.046 2.871 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.802 -11.779 4.198 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.954 -12.712 2.948 1.00 0.00 C ATOM 0 H THR A 44 -9.544 -9.941 3.870 1.00 0.00 H new ATOM 0 HA THR A 44 -9.573 -10.857 1.219 1.00 0.00 H new ATOM 0 HB THR A 44 -11.006 -12.722 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.849 -12.617 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.032 -13.637 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.602 -12.937 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.249 -12.041 3.438 1.00 0.00 H new ATOM 551 N GLU A 45 -12.331 -9.483 2.202 1.00 0.00 N ATOM 552 CA GLU A 45 -13.650 -9.049 1.765 1.00 0.00 C ATOM 553 C GLU A 45 -13.523 -7.854 0.822 1.00 0.00 C ATOM 554 O GLU A 45 -14.359 -7.648 -0.059 1.00 0.00 O ATOM 555 CB GLU A 45 -14.508 -8.672 2.976 1.00 0.00 C ATOM 556 CG GLU A 45 -15.950 -8.331 2.636 1.00 0.00 C ATOM 557 CD GLU A 45 -16.715 -9.514 2.082 1.00 0.00 C ATOM 558 OE1 GLU A 45 -17.242 -10.314 2.883 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.799 -9.649 0.845 1.00 0.00 O ATOM 0 H GLU A 45 -12.001 -9.033 3.056 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.132 -9.869 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.500 -9.500 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.053 -7.818 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.453 -7.965 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.965 -7.520 1.908 1.00 0.00 H new ATOM 566 N GLY A 46 -12.465 -7.078 1.006 1.00 0.00 N ATOM 567 CA GLY A 46 -12.267 -5.896 0.195 1.00 0.00 C ATOM 568 C GLY A 46 -12.526 -4.624 0.972 1.00 0.00 C ATOM 569 O GLY A 46 -12.761 -3.564 0.390 1.00 0.00 O ATOM 0 H GLY A 46 -11.740 -7.247 1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.246 -5.886 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.930 -5.934 -0.669 1.00 0.00 H new ATOM 573 N ARG A 47 -12.491 -4.727 2.293 1.00 0.00 N ATOM 574 CA ARG A 47 -12.684 -3.580 3.159 1.00 0.00 C ATOM 575 C ARG A 47 -11.348 -2.915 3.448 1.00 0.00 C ATOM 576 O ARG A 47 -10.329 -3.594 3.572 1.00 0.00 O ATOM 577 CB ARG A 47 -13.331 -4.029 4.465 1.00 0.00 C ATOM 578 CG ARG A 47 -14.750 -4.542 4.305 1.00 0.00 C ATOM 579 CD ARG A 47 -15.290 -5.091 5.615 1.00 0.00 C ATOM 580 NE ARG A 47 -15.188 -4.120 6.705 1.00 0.00 N ATOM 581 CZ ARG A 47 -15.858 -4.207 7.849 1.00 0.00 C ATOM 582 NH1 ARG A 47 -16.728 -5.188 8.049 1.00 0.00 N ATOM 583 NH2 ARG A 47 -15.663 -3.295 8.788 1.00 0.00 N ATOM 0 H ARG A 47 -12.329 -5.603 2.789 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.335 -2.862 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.720 -4.814 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.334 -3.192 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.393 -3.735 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.773 -5.322 3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.333 -5.379 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.741 -5.994 5.882 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.562 -3.325 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.888 -5.884 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.237 -5.246 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.003 -2.534 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.173 -3.354 9.669 1.00 0.00 H new ATOM 597 N MET A 48 -11.351 -1.595 3.545 1.00 0.00 N ATOM 598 CA MET A 48 -10.137 -0.857 3.853 1.00 0.00 C ATOM 599 C MET A 48 -9.722 -1.083 5.301 1.00 0.00 C ATOM 600 O MET A 48 -10.425 -0.696 6.234 1.00 0.00 O ATOM 601 CB MET A 48 -10.307 0.644 3.575 1.00 0.00 C ATOM 602 CG MET A 48 -11.517 1.293 4.242 1.00 0.00 C ATOM 603 SD MET A 48 -13.096 0.767 3.535 1.00 0.00 S ATOM 604 CE MET A 48 -14.244 1.726 4.517 1.00 0.00 C ATOM 0 H MET A 48 -12.179 -1.014 3.415 1.00 0.00 H new ATOM 0 HA MET A 48 -9.349 -1.233 3.200 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.407 1.163 3.906 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.383 0.792 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.507 1.056 5.306 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.432 2.376 4.156 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.264 1.510 4.199 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.129 1.465 5.569 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.039 2.788 4.382 1.00 0.00 H new ATOM 614 N VAL A 49 -8.588 -1.739 5.475 1.00 0.00 N ATOM 615 CA VAL A 49 -8.052 -1.998 6.800 1.00 0.00 C ATOM 616 C VAL A 49 -6.973 -0.975 7.139 1.00 0.00 C ATOM 617 O VAL A 49 -6.830 -0.554 8.289 1.00 0.00 O ATOM 618 CB VAL A 49 -7.461 -3.422 6.891 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.938 -3.714 8.291 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.501 -4.455 6.486 1.00 0.00 C ATOM 0 H VAL A 49 -8.018 -2.104 4.712 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.870 -1.915 7.516 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.620 -3.481 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.528 -4.724 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.157 -2.997 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.754 -3.630 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.069 -5.453 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.362 -4.385 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.819 -4.268 5.460 1.00 0.00 H new ATOM 630 N TRP A 50 -6.241 -0.548 6.122 1.00 0.00 N ATOM 631 CA TRP A 50 -5.126 0.368 6.307 1.00 0.00 C ATOM 632 C TRP A 50 -4.907 1.186 5.038 1.00 0.00 C ATOM 633 O TRP A 50 -5.323 0.779 3.958 1.00 0.00 O ATOM 634 CB TRP A 50 -3.858 -0.420 6.671 1.00 0.00 C ATOM 635 CG TRP A 50 -2.630 0.430 6.807 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.553 0.445 5.968 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.359 1.398 7.826 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.628 1.358 6.405 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.096 1.956 7.546 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.058 1.845 8.953 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.522 2.940 8.347 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.487 2.821 9.747 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.229 3.359 9.442 1.00 0.00 C ATOM 0 H TRP A 50 -6.401 -0.824 5.153 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.355 1.053 7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.028 -0.948 7.609 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.681 -1.177 5.907 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.445 -0.172 5.088 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.264 1.560 5.954 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.026 1.434 9.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.446 3.358 8.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.019 3.175 10.617 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.809 4.119 10.084 1.00 0.00 H new ATOM 654 N ARG A 51 -4.273 2.341 5.178 1.00 0.00 N ATOM 655 CA ARG A 51 -3.963 3.192 4.042 1.00 0.00 C ATOM 656 C ARG A 51 -2.792 4.108 4.378 1.00 0.00 C ATOM 657 O ARG A 51 -2.631 4.529 5.524 1.00 0.00 O ATOM 658 CB ARG A 51 -5.182 4.028 3.636 1.00 0.00 C ATOM 659 CG ARG A 51 -5.744 4.865 4.773 1.00 0.00 C ATOM 660 CD ARG A 51 -6.822 5.820 4.289 1.00 0.00 C ATOM 661 NE ARG A 51 -7.370 6.625 5.380 1.00 0.00 N ATOM 662 CZ ARG A 51 -7.266 7.956 5.452 1.00 0.00 C ATOM 663 NH1 ARG A 51 -6.564 8.623 4.541 1.00 0.00 N ATOM 664 NH2 ARG A 51 -7.842 8.616 6.448 1.00 0.00 N ATOM 0 H ARG A 51 -3.962 2.711 6.076 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.689 2.554 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.904 4.686 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.962 3.363 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.157 4.208 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.939 5.432 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.407 6.478 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.625 5.252 3.819 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.861 6.142 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.102 8.119 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.487 9.638 4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.366 8.108 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.761 9.631 6.501 1.00 0.00 H new ATOM 678 N ALA A 52 -1.979 4.398 3.376 1.00 0.00 N ATOM 679 CA ALA A 52 -0.846 5.304 3.521 1.00 0.00 C ATOM 680 C ALA A 52 -0.548 5.938 2.175 1.00 0.00 C ATOM 681 O ALA A 52 -0.867 5.350 1.149 1.00 0.00 O ATOM 682 CB ALA A 52 0.374 4.560 4.041 1.00 0.00 C ATOM 0 H ALA A 52 -2.084 4.013 2.437 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.094 6.081 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.208 5.254 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.146 4.123 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.643 3.769 3.341 1.00 0.00 H new ATOM 688 N TRP A 53 0.036 7.129 2.165 1.00 0.00 N ATOM 689 CA TRP A 53 0.332 7.804 0.915 1.00 0.00 C ATOM 690 C TRP A 53 1.570 7.205 0.254 1.00 0.00 C ATOM 691 O TRP A 53 1.484 6.222 -0.482 1.00 0.00 O ATOM 692 CB TRP A 53 0.546 9.302 1.142 1.00 0.00 C ATOM 693 CG TRP A 53 -0.689 10.075 1.415 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.277 10.270 2.619 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.475 10.785 0.454 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.384 11.055 2.469 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.533 11.381 1.150 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.390 10.967 -0.928 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.502 12.155 0.517 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.352 11.732 -1.558 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.397 12.317 -0.836 1.00 0.00 C ATOM 0 H TRP A 53 0.311 7.642 3.003 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.524 7.665 0.255 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.232 9.433 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.033 9.722 0.262 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.924 9.866 3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.003 11.352 3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.587 10.518 -1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.307 12.611 1.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.296 11.881 -2.626 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.135 12.908 -1.358 1.00 0.00 H new ATOM 712 N ASN A 54 2.718 7.798 0.550 1.00 0.00 N ATOM 713 CA ASN A 54 3.992 7.377 -0.034 1.00 0.00 C ATOM 714 C ASN A 54 5.162 8.157 0.561 1.00 0.00 C ATOM 715 O ASN A 54 6.237 7.604 0.799 1.00 0.00 O ATOM 716 CB ASN A 54 3.970 7.584 -1.556 1.00 0.00 C ATOM 717 CG ASN A 54 5.293 7.241 -2.227 1.00 0.00 C ATOM 718 OD1 ASN A 54 6.169 8.229 -2.358 1.00 0.00 O flip ATOM 719 ND2 ASN A 54 5.524 6.108 -2.635 1.00 0.00 N flip ATOM 0 H ASN A 54 2.797 8.581 1.198 1.00 0.00 H new ATOM 0 HA ASN A 54 4.126 6.320 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.181 6.969 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.719 8.623 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.828 5.372 -2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.412 5.902 -3.092 1.00 0.00 H new ATOM 726 N PHE A 55 4.940 9.442 0.815 1.00 0.00 N ATOM 727 CA PHE A 55 6.025 10.354 1.161 1.00 0.00 C ATOM 728 C PHE A 55 6.342 10.344 2.656 1.00 0.00 C ATOM 729 O PHE A 55 7.388 10.843 3.071 1.00 0.00 O ATOM 730 CB PHE A 55 5.683 11.779 0.701 1.00 0.00 C ATOM 731 CG PHE A 55 4.402 12.324 1.278 1.00 0.00 C ATOM 732 CD1 PHE A 55 4.406 13.022 2.476 1.00 0.00 C ATOM 733 CD2 PHE A 55 3.197 12.147 0.616 1.00 0.00 C ATOM 734 CE1 PHE A 55 3.234 13.528 3.003 1.00 0.00 C ATOM 735 CE2 PHE A 55 2.020 12.651 1.140 1.00 0.00 C ATOM 736 CZ PHE A 55 2.039 13.343 2.334 1.00 0.00 C ATOM 0 H PHE A 55 4.017 9.876 0.788 1.00 0.00 H new ATOM 0 HA PHE A 55 6.918 10.006 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.503 12.443 0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.612 11.790 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.337 13.172 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.177 11.609 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.251 14.068 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.088 12.503 0.615 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.122 13.739 2.745 1.00 0.00 H new ATOM 746 N GLU A 56 5.443 9.790 3.459 1.00 0.00 N ATOM 747 CA GLU A 56 5.645 9.746 4.900 1.00 0.00 C ATOM 748 C GLU A 56 6.878 8.913 5.237 1.00 0.00 C ATOM 749 O GLU A 56 7.076 7.835 4.673 1.00 0.00 O ATOM 750 CB GLU A 56 4.424 9.170 5.629 1.00 0.00 C ATOM 751 CG GLU A 56 3.099 9.809 5.244 1.00 0.00 C ATOM 752 CD GLU A 56 2.443 9.124 4.063 1.00 0.00 C ATOM 753 OE1 GLU A 56 2.911 9.318 2.921 1.00 0.00 O ATOM 754 OE2 GLU A 56 1.461 8.377 4.282 1.00 0.00 O ATOM 0 H GLU A 56 4.572 9.367 3.139 1.00 0.00 H new ATOM 0 HA GLU A 56 5.791 10.772 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.369 8.100 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.570 9.286 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.423 9.778 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.263 10.860 5.005 1.00 0.00 H new ATOM 761 N PRO A 57 7.708 9.387 6.180 1.00 0.00 N ATOM 762 CA PRO A 57 8.952 8.704 6.565 1.00 0.00 C ATOM 763 C PRO A 57 8.705 7.383 7.292 1.00 0.00 C ATOM 764 O PRO A 57 9.638 6.742 7.775 1.00 0.00 O ATOM 765 CB PRO A 57 9.642 9.707 7.492 1.00 0.00 C ATOM 766 CG PRO A 57 8.541 10.553 8.029 1.00 0.00 C ATOM 767 CD PRO A 57 7.508 10.636 6.940 1.00 0.00 C ATOM 0 HA PRO A 57 9.545 8.432 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.178 9.200 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.373 10.307 6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.119 10.115 8.934 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.906 11.545 8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.499 10.701 7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.655 11.515 6.313 1.00 0.00 H new ATOM 775 N ASP A 58 7.443 6.986 7.376 1.00 0.00 N ATOM 776 CA ASP A 58 7.072 5.726 8.002 1.00 0.00 C ATOM 777 C ASP A 58 5.988 5.028 7.192 1.00 0.00 C ATOM 778 O ASP A 58 5.397 4.053 7.655 1.00 0.00 O ATOM 779 CB ASP A 58 6.555 5.948 9.429 1.00 0.00 C ATOM 780 CG ASP A 58 7.535 6.696 10.311 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.494 6.070 10.813 1.00 0.00 O ATOM 782 OD2 ASP A 58 7.347 7.914 10.512 1.00 0.00 O ATOM 0 H ASP A 58 6.654 7.523 7.016 1.00 0.00 H new ATOM 0 HA ASP A 58 7.966 5.104 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.618 6.503 9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.333 4.982 9.882 1.00 0.00 H new ATOM 787 N ALA A 59 5.741 5.507 5.970 1.00 0.00 N ATOM 788 CA ALA A 59 4.620 5.011 5.177 1.00 0.00 C ATOM 789 C ALA A 59 4.787 3.527 4.876 1.00 0.00 C ATOM 790 O ALA A 59 3.844 2.735 5.007 1.00 0.00 O ATOM 791 CB ALA A 59 4.484 5.810 3.888 1.00 0.00 C ATOM 0 H ALA A 59 6.297 6.230 5.514 1.00 0.00 H new ATOM 0 HA ALA A 59 3.706 5.138 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.644 5.427 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.312 6.859 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.399 5.717 3.304 1.00 0.00 H new ATOM 797 N GLY A 60 6.004 3.156 4.515 1.00 0.00 N ATOM 798 CA GLY A 60 6.303 1.777 4.218 1.00 0.00 C ATOM 799 C GLY A 60 6.233 0.898 5.445 1.00 0.00 C ATOM 800 O GLY A 60 5.887 -0.279 5.351 1.00 0.00 O ATOM 0 H GLY A 60 6.795 3.793 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.602 1.409 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.300 1.709 3.782 1.00 0.00 H new ATOM 804 N GLU A 61 6.525 1.470 6.612 1.00 0.00 N ATOM 805 CA GLU A 61 6.516 0.689 7.840 1.00 0.00 C ATOM 806 C GLU A 61 5.081 0.363 8.231 1.00 0.00 C ATOM 807 O GLU A 61 4.816 -0.665 8.844 1.00 0.00 O ATOM 808 CB GLU A 61 7.208 1.422 8.990 1.00 0.00 C ATOM 809 CG GLU A 61 7.593 0.487 10.126 1.00 0.00 C ATOM 810 CD GLU A 61 7.758 1.191 11.453 1.00 0.00 C ATOM 811 OE1 GLU A 61 8.706 1.988 11.602 1.00 0.00 O ATOM 812 OE2 GLU A 61 6.947 0.930 12.367 1.00 0.00 O ATOM 0 H GLU A 61 6.766 2.454 6.729 1.00 0.00 H new ATOM 0 HA GLU A 61 7.071 -0.230 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.102 1.920 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.547 2.200 9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.830 -0.285 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.526 -0.017 9.872 1.00 0.00 H new ATOM 819 N GLY A 62 4.155 1.243 7.863 1.00 0.00 N ATOM 820 CA GLY A 62 2.752 0.991 8.127 1.00 0.00 C ATOM 821 C GLY A 62 2.238 -0.154 7.286 1.00 0.00 C ATOM 822 O GLY A 62 1.497 -1.016 7.765 1.00 0.00 O ATOM 0 H GLY A 62 4.351 2.124 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.613 0.761 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.172 1.890 7.917 1.00 0.00 H new ATOM 826 N LEU A 63 2.650 -0.166 6.028 1.00 0.00 N ATOM 827 CA LEU A 63 2.301 -1.249 5.119 1.00 0.00 C ATOM 828 C LEU A 63 2.917 -2.560 5.602 1.00 0.00 C ATOM 829 O LEU A 63 2.237 -3.584 5.691 1.00 0.00 O ATOM 830 CB LEU A 63 2.786 -0.917 3.708 1.00 0.00 C ATOM 831 CG LEU A 63 2.263 0.405 3.144 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.964 0.739 1.843 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.757 0.348 2.940 1.00 0.00 C ATOM 0 H LEU A 63 3.228 0.564 5.611 1.00 0.00 H new ATOM 0 HA LEU A 63 1.217 -1.364 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.876 -0.889 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.490 -1.724 3.038 1.00 0.00 H new ATOM 0 HG LEU A 63 2.478 1.193 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.580 1.683 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.036 0.828 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.781 -0.053 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.408 1.299 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.515 -0.452 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.268 0.156 3.895 1.00 0.00 H new ATOM 845 N ASN A 64 4.205 -2.508 5.936 1.00 0.00 N ATOM 846 CA ASN A 64 4.919 -3.667 6.476 1.00 0.00 C ATOM 847 C ASN A 64 4.308 -4.116 7.799 1.00 0.00 C ATOM 848 O ASN A 64 4.361 -5.291 8.145 1.00 0.00 O ATOM 849 CB ASN A 64 6.403 -3.339 6.687 1.00 0.00 C ATOM 850 CG ASN A 64 7.203 -3.324 5.398 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.660 -3.153 4.312 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.512 -3.486 5.520 1.00 0.00 N ATOM 0 H ASN A 64 4.780 -1.671 5.842 1.00 0.00 H new ATOM 0 HA ASN A 64 4.829 -4.476 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.488 -2.366 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.837 -4.072 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.107 -3.471 4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.925 -3.626 6.442 1.00 0.00 H new ATOM 859 N ARG A 65 3.730 -3.172 8.531 1.00 0.00 N ATOM 860 CA ARG A 65 3.095 -3.461 9.811 1.00 0.00 C ATOM 861 C ARG A 65 1.875 -4.353 9.604 1.00 0.00 C ATOM 862 O ARG A 65 1.609 -5.252 10.402 1.00 0.00 O ATOM 863 CB ARG A 65 2.699 -2.151 10.495 1.00 0.00 C ATOM 864 CG ARG A 65 2.269 -2.297 11.943 1.00 0.00 C ATOM 865 CD ARG A 65 2.072 -0.932 12.589 1.00 0.00 C ATOM 866 NE ARG A 65 3.295 -0.123 12.539 1.00 0.00 N ATOM 867 CZ ARG A 65 3.312 1.211 12.489 1.00 0.00 C ATOM 868 NH1 ARG A 65 2.175 1.894 12.460 1.00 0.00 N ATOM 869 NH2 ARG A 65 4.469 1.865 12.447 1.00 0.00 N ATOM 0 H ARG A 65 3.688 -2.190 8.257 1.00 0.00 H new ATOM 0 HA ARG A 65 3.799 -3.992 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.543 -1.463 10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.884 -1.695 9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.341 -2.867 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.021 -2.861 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.265 -0.403 12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.765 -1.062 13.627 1.00 0.00 H new ATOM 0 HE ARG A 65 4.190 -0.612 12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.283 1.400 12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.193 2.913 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.348 1.347 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.478 2.884 12.409 1.00 0.00 H new ATOM 883 N TYR A 66 1.143 -4.104 8.523 1.00 0.00 N ATOM 884 CA TYR A 66 0.026 -4.960 8.143 1.00 0.00 C ATOM 885 C TYR A 66 0.555 -6.305 7.650 1.00 0.00 C ATOM 886 O TYR A 66 0.107 -7.365 8.090 1.00 0.00 O ATOM 887 CB TYR A 66 -0.818 -4.290 7.049 1.00 0.00 C ATOM 888 CG TYR A 66 -1.993 -5.123 6.575 1.00 0.00 C ATOM 889 CD1 TYR A 66 -1.830 -6.103 5.602 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.266 -4.918 7.091 1.00 0.00 C ATOM 891 CE1 TYR A 66 -2.901 -6.858 5.162 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.342 -5.670 6.656 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.155 -6.636 5.689 1.00 0.00 C ATOM 894 OH TYR A 66 -5.223 -7.382 5.247 1.00 0.00 O ATOM 0 H TYR A 66 1.304 -3.316 7.895 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.608 -5.121 9.015 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.190 -3.337 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.177 -4.067 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.850 -6.277 5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.418 -4.159 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.756 -7.618 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.325 -5.502 7.072 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.607 -6.963 4.449 1.00 0.00 H new ATOM 904 N ILE A 67 1.511 -6.238 6.728 1.00 0.00 N ATOM 905 CA ILE A 67 2.152 -7.424 6.152 1.00 0.00 C ATOM 906 C ILE A 67 2.718 -8.354 7.231 1.00 0.00 C ATOM 907 O ILE A 67 2.678 -9.577 7.094 1.00 0.00 O ATOM 908 CB ILE A 67 3.295 -7.010 5.197 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.738 -6.214 4.014 1.00 0.00 C ATOM 910 CG2 ILE A 67 4.062 -8.230 4.707 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.809 -5.609 3.132 1.00 0.00 C ATOM 0 H ILE A 67 1.867 -5.358 6.355 1.00 0.00 H new ATOM 0 HA ILE A 67 1.381 -7.964 5.602 1.00 0.00 H new ATOM 0 HB ILE A 67 3.988 -6.375 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.109 -6.869 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.098 -5.417 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.861 -7.913 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.491 -8.756 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.384 -8.896 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.340 -5.060 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.424 -4.928 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.435 -6.402 2.724 1.00 0.00 H new ATOM 923 N ARG A 68 3.230 -7.753 8.295 1.00 0.00 N ATOM 924 CA ARG A 68 3.880 -8.469 9.391 1.00 0.00 C ATOM 925 C ARG A 68 3.047 -9.638 9.917 1.00 0.00 C ATOM 926 O ARG A 68 3.601 -10.652 10.349 1.00 0.00 O ATOM 927 CB ARG A 68 4.157 -7.490 10.525 1.00 0.00 C ATOM 928 CG ARG A 68 5.049 -8.052 11.609 1.00 0.00 C ATOM 929 CD ARG A 68 5.275 -7.031 12.708 1.00 0.00 C ATOM 930 NE ARG A 68 6.439 -7.347 13.531 1.00 0.00 N ATOM 931 CZ ARG A 68 6.951 -6.516 14.438 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.331 -5.383 14.732 1.00 0.00 N ATOM 933 NH2 ARG A 68 8.071 -6.833 15.075 1.00 0.00 N ATOM 0 H ARG A 68 3.207 -6.742 8.426 1.00 0.00 H new ATOM 0 HA ARG A 68 4.807 -8.891 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.621 -6.593 10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.210 -7.184 10.969 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.596 -8.950 12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.006 -8.349 11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.405 -6.045 12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.389 -6.980 13.341 1.00 0.00 H new ATOM 0 HE ARG A 68 6.885 -8.255 13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.457 -5.143 14.263 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.727 -4.750 15.427 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.542 -7.714 14.871 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.461 -6.195 15.769 1.00 0.00 H new ATOM 947 N THR A 69 1.727 -9.497 9.872 1.00 0.00 N ATOM 948 CA THR A 69 0.825 -10.526 10.361 1.00 0.00 C ATOM 949 C THR A 69 1.087 -11.863 9.669 1.00 0.00 C ATOM 950 O THR A 69 1.072 -12.921 10.303 1.00 0.00 O ATOM 951 CB THR A 69 -0.636 -10.109 10.125 1.00 0.00 C ATOM 952 OG1 THR A 69 -0.832 -9.785 8.743 1.00 0.00 O ATOM 953 CG2 THR A 69 -1.013 -8.917 10.989 1.00 0.00 C ATOM 0 H THR A 69 1.258 -8.672 9.498 1.00 0.00 H new ATOM 0 HA THR A 69 1.004 -10.644 11.430 1.00 0.00 H new ATOM 0 HB THR A 69 -1.277 -10.947 10.400 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.698 -8.823 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.052 -8.645 10.800 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.891 -9.177 12.041 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.367 -8.073 10.747 1.00 0.00 H new ATOM 961 N SER A 70 1.381 -11.776 8.377 1.00 0.00 N ATOM 962 CA SER A 70 1.558 -12.934 7.509 1.00 0.00 C ATOM 963 C SER A 70 1.570 -12.470 6.061 1.00 0.00 C ATOM 964 O SER A 70 2.335 -12.971 5.235 1.00 0.00 O ATOM 965 CB SER A 70 0.430 -13.957 7.709 1.00 0.00 C ATOM 966 OG SER A 70 0.625 -15.110 6.901 1.00 0.00 O ATOM 0 H SER A 70 1.505 -10.885 7.896 1.00 0.00 H new ATOM 0 HA SER A 70 2.502 -13.417 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.384 -14.250 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.528 -13.497 7.464 1.00 0.00 H new ATOM 0 HG SER A 70 -0.108 -15.743 7.052 1.00 0.00 H new ATOM 972 N GLY A 71 0.721 -11.491 5.769 1.00 0.00 N ATOM 973 CA GLY A 71 0.613 -10.980 4.420 1.00 0.00 C ATOM 974 C GLY A 71 -0.320 -11.812 3.564 1.00 0.00 C ATOM 975 O GLY A 71 -0.409 -13.028 3.729 1.00 0.00 O ATOM 0 H GLY A 71 0.105 -11.042 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.254 -9.951 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.602 -10.959 3.961 1.00 0.00 H new ATOM 979 N ILE A 72 -1.007 -11.161 2.631 1.00 0.00 N ATOM 980 CA ILE A 72 -1.953 -11.848 1.759 1.00 0.00 C ATOM 981 C ILE A 72 -1.213 -12.489 0.576 1.00 0.00 C ATOM 982 O ILE A 72 -1.817 -13.018 -0.351 1.00 0.00 O ATOM 983 CB ILE A 72 -3.062 -10.878 1.275 1.00 0.00 C ATOM 984 CG1 ILE A 72 -3.695 -10.175 2.481 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.143 -11.607 0.481 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.365 -11.117 3.462 1.00 0.00 C ATOM 0 H ILE A 72 -0.926 -10.159 2.459 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.439 -12.642 2.326 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.599 -10.144 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.924 -9.609 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.431 -9.455 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.902 -10.894 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.696 -12.080 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.604 -12.369 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.788 -10.543 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.160 -11.665 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.629 -11.821 3.850 1.00 0.00 H new ATOM 998 N ARG A 73 0.116 -12.434 0.624 1.00 0.00 N ATOM 999 CA ARG A 73 0.962 -13.038 -0.410 1.00 0.00 C ATOM 1000 C ARG A 73 0.764 -14.548 -0.455 1.00 0.00 C ATOM 1001 O ARG A 73 1.012 -15.190 -1.473 1.00 0.00 O ATOM 1002 CB ARG A 73 2.427 -12.724 -0.139 1.00 0.00 C ATOM 1003 CG ARG A 73 3.000 -13.446 1.073 1.00 0.00 C ATOM 1004 CD ARG A 73 4.445 -13.053 1.335 1.00 0.00 C ATOM 1005 NE ARG A 73 5.009 -13.782 2.473 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.443 -13.202 3.594 1.00 0.00 C ATOM 1007 NH1 ARG A 73 5.356 -11.885 3.746 1.00 0.00 N ATOM 1008 NH2 ARG A 73 5.964 -13.941 4.566 1.00 0.00 N ATOM 0 H ARG A 73 0.636 -11.975 1.372 1.00 0.00 H new ATOM 0 HA ARG A 73 0.674 -12.617 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.014 -12.989 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.537 -11.649 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.396 -13.217 1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.939 -14.523 0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.042 -13.250 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.501 -11.981 1.526 1.00 0.00 H new ATOM 0 HE ARG A 73 5.074 -14.798 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.956 -11.311 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.689 -11.448 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.033 -14.953 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.295 -13.497 5.422 1.00 0.00 H new ATOM 1022 N THR A 74 0.324 -15.107 0.666 1.00 0.00 N ATOM 1023 CA THR A 74 -0.039 -16.511 0.737 1.00 0.00 C ATOM 1024 C THR A 74 -1.184 -16.792 -0.232 1.00 0.00 C ATOM 1025 O THR A 74 -1.384 -17.924 -0.681 1.00 0.00 O ATOM 1026 CB THR A 74 -0.476 -16.866 2.168 1.00 0.00 C ATOM 1027 OG1 THR A 74 0.503 -16.388 3.101 1.00 0.00 O ATOM 1028 CG2 THR A 74 -0.653 -18.366 2.330 1.00 0.00 C ATOM 0 H THR A 74 0.210 -14.601 1.544 1.00 0.00 H new ATOM 0 HA THR A 74 0.824 -17.119 0.465 1.00 0.00 H new ATOM 0 HB THR A 74 -1.436 -16.388 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.223 -16.613 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.962 -18.588 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.415 -18.720 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.291 -18.869 2.119 1.00 0.00 H new ATOM 1036 N ASP A 75 -1.876 -15.710 -0.582 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.071 -15.732 -1.423 1.00 0.00 C ATOM 1038 C ASP A 75 -4.191 -16.570 -0.836 1.00 0.00 C ATOM 1039 O ASP A 75 -4.044 -17.753 -0.529 1.00 0.00 O ATOM 1040 CB ASP A 75 -2.764 -16.189 -2.840 1.00 0.00 C ATOM 1041 CG ASP A 75 -3.964 -16.059 -3.757 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -4.757 -15.108 -3.574 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -4.114 -16.896 -4.670 1.00 0.00 O ATOM 0 H ASP A 75 -1.615 -14.771 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.418 -14.699 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.939 -15.600 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.434 -17.228 -2.821 1.00 0.00 H new TER 1048 ASP A 75