USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 12 SER OG : rot 180:sc= 0.029 USER MOD Set 1.2: A 13 CYS SG : rot 180:sc= -0.0832 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 8 THR OG1 : rot -79:sc= 1.02 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.159 USER MOD Single : A 11 SER OG : rot 71:sc= 1.07 USER MOD Single : A 14 HIS : no HE2:sc= 0.76 K(o=0.76,f=-2.5!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc=-0.00122 (180deg=-0.0497) USER MOD Single : A 51 GLN : amide:sc= 0.394 X(o=0.39,f=0) USER MOD Single : A 52 MET CE :methyl -178:sc= 0 (180deg=-0.00349) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 72 MET CE :methyl -168:sc= 0 (180deg=-0.228) USER MOD Single : A 74 ASN : amide:sc= 0.152 K(o=0.15,f=-8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 142:sc= 0.00745 USER MOD Single : A 93 THR OG1 : rot 107:sc= 1.6 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.411 5.615 6.193 1.00 1.07 N ATOM 13 CA GLY A 2 9.015 5.220 5.974 1.00 0.72 C ATOM 14 C GLY A 2 8.219 4.879 7.243 1.00 0.65 C ATOM 15 O GLY A 2 7.008 5.080 7.252 1.00 0.66 O ATOM 0 HA2 GLY A 2 8.504 6.029 5.452 1.00 0.72 H new ATOM 0 HA3 GLY A 2 9.000 4.354 5.313 1.00 0.72 H new ATOM 19 N GLU A 3 8.870 4.464 8.338 1.00 0.69 N ATOM 20 CA GLU A 3 8.219 4.266 9.647 1.00 0.70 C ATOM 21 C GLU A 3 7.507 5.546 10.137 1.00 0.74 C ATOM 22 O GLU A 3 6.393 5.487 10.662 1.00 0.78 O ATOM 23 CB GLU A 3 9.275 3.839 10.690 1.00 0.88 C ATOM 24 CG GLU A 3 8.639 3.311 11.990 1.00 1.25 C ATOM 25 CD GLU A 3 9.463 3.618 13.249 1.00 2.28 C ATOM 26 OE1 GLU A 3 10.689 3.348 13.275 1.00 3.07 O ATOM 27 OE2 GLU A 3 8.868 4.124 14.235 1.00 3.34 O ATOM 0 H GLU A 3 9.868 4.254 8.344 1.00 0.69 H new ATOM 0 HA GLU A 3 7.466 3.487 9.528 1.00 0.70 H new ATOM 0 HB2 GLU A 3 9.913 3.066 10.261 1.00 0.88 H new ATOM 0 HB3 GLU A 3 9.916 4.689 10.922 1.00 0.88 H new ATOM 0 HG2 GLU A 3 7.646 3.747 12.101 1.00 1.25 H new ATOM 0 HG3 GLU A 3 8.507 2.232 11.907 1.00 1.25 H new ATOM 34 N GLN A 4 8.122 6.714 9.917 1.00 0.91 N ATOM 35 CA GLN A 4 7.600 8.029 10.316 1.00 1.11 C ATOM 36 C GLN A 4 6.291 8.359 9.579 1.00 0.94 C ATOM 37 O GLN A 4 5.369 8.956 10.143 1.00 1.05 O ATOM 38 CB GLN A 4 8.642 9.118 9.986 1.00 1.61 C ATOM 39 CG GLN A 4 10.049 8.881 10.570 1.00 2.61 C ATOM 40 CD GLN A 4 11.090 9.868 10.041 1.00 3.96 C ATOM 41 OE1 GLN A 4 10.790 10.934 9.506 1.00 4.36 O ATOM 42 NE2 GLN A 4 12.359 9.557 10.175 1.00 5.25 N ATOM 0 H GLN A 4 9.023 6.773 9.443 1.00 0.91 H new ATOM 0 HA GLN A 4 7.401 8.000 11.387 1.00 1.11 H new ATOM 0 HB2 GLN A 4 8.726 9.201 8.902 1.00 1.61 H new ATOM 0 HB3 GLN A 4 8.271 10.075 10.352 1.00 1.61 H new ATOM 0 HG2 GLN A 4 10.003 8.958 11.656 1.00 2.61 H new ATOM 0 HG3 GLN A 4 10.367 7.865 10.335 1.00 2.61 H new ATOM 0 HE21 GLN A 4 12.624 8.677 10.617 1.00 5.25 H new ATOM 0 HE22 GLN A 4 13.079 10.196 9.838 1.00 5.25 H new ATOM 51 N ILE A 5 6.217 7.932 8.315 1.00 0.83 N ATOM 52 CA ILE A 5 5.082 8.108 7.407 1.00 0.80 C ATOM 53 C ILE A 5 3.989 7.084 7.733 1.00 0.69 C ATOM 54 O ILE A 5 2.822 7.442 7.859 1.00 0.74 O ATOM 55 CB ILE A 5 5.553 8.033 5.936 1.00 0.85 C ATOM 56 CG1 ILE A 5 6.736 8.998 5.681 1.00 0.95 C ATOM 57 CG2 ILE A 5 4.372 8.363 5.002 1.00 0.88 C ATOM 58 CD1 ILE A 5 7.294 8.941 4.258 1.00 1.17 C ATOM 0 H ILE A 5 6.988 7.428 7.876 1.00 0.83 H new ATOM 0 HA ILE A 5 4.648 9.098 7.547 1.00 0.80 H new ATOM 0 HB ILE A 5 5.903 7.021 5.730 1.00 0.85 H new ATOM 0 HG12 ILE A 5 6.411 10.017 5.892 1.00 0.95 H new ATOM 0 HG13 ILE A 5 7.537 8.767 6.383 1.00 0.95 H new ATOM 0 HG21 ILE A 5 4.703 8.310 3.965 1.00 0.88 H new ATOM 0 HG22 ILE A 5 3.569 7.644 5.164 1.00 0.88 H new ATOM 0 HG23 ILE A 5 4.008 9.368 5.216 1.00 0.88 H new ATOM 0 HD11 ILE A 5 8.119 9.647 4.162 1.00 1.17 H new ATOM 0 HD12 ILE A 5 7.652 7.933 4.048 1.00 1.17 H new ATOM 0 HD13 ILE A 5 6.509 9.203 3.549 1.00 1.17 H new ATOM 70 N PHE A 6 4.352 5.822 7.984 1.00 0.59 N ATOM 71 CA PHE A 6 3.411 4.786 8.424 1.00 0.56 C ATOM 72 C PHE A 6 2.708 5.180 9.732 1.00 0.60 C ATOM 73 O PHE A 6 1.497 4.984 9.868 1.00 0.67 O ATOM 74 CB PHE A 6 4.152 3.447 8.553 1.00 0.60 C ATOM 75 CG PHE A 6 3.237 2.288 8.905 1.00 0.77 C ATOM 76 CD1 PHE A 6 2.477 1.661 7.897 1.00 1.96 C ATOM 77 CD2 PHE A 6 3.107 1.863 10.240 1.00 2.75 C ATOM 78 CE1 PHE A 6 1.555 0.652 8.233 1.00 1.98 C ATOM 79 CE2 PHE A 6 2.197 0.842 10.570 1.00 2.94 C ATOM 80 CZ PHE A 6 1.409 0.250 9.571 1.00 1.34 C ATOM 0 H PHE A 6 5.311 5.489 7.887 1.00 0.59 H new ATOM 0 HA PHE A 6 2.626 4.679 7.675 1.00 0.56 H new ATOM 0 HB2 PHE A 6 4.660 3.228 7.614 1.00 0.60 H new ATOM 0 HB3 PHE A 6 4.923 3.538 9.318 1.00 0.60 H new ATOM 0 HD1 PHE A 6 2.602 1.955 6.865 1.00 1.96 H new ATOM 0 HD2 PHE A 6 3.707 2.321 11.013 1.00 2.75 H new ATOM 0 HE1 PHE A 6 0.959 0.187 7.462 1.00 1.98 H new ATOM 0 HE2 PHE A 6 2.105 0.513 11.595 1.00 2.94 H new ATOM 0 HZ PHE A 6 0.691 -0.514 9.831 1.00 1.34 H new ATOM 90 N ARG A 7 3.429 5.827 10.661 1.00 0.75 N ATOM 91 CA ARG A 7 2.897 6.380 11.920 1.00 1.01 C ATOM 92 C ARG A 7 1.908 7.544 11.733 1.00 1.09 C ATOM 93 O ARG A 7 1.084 7.796 12.611 1.00 1.32 O ATOM 94 CB ARG A 7 4.081 6.767 12.824 1.00 1.23 C ATOM 95 CG ARG A 7 3.672 6.937 14.295 1.00 1.50 C ATOM 96 CD ARG A 7 4.890 7.198 15.185 1.00 2.59 C ATOM 97 NE ARG A 7 4.505 7.237 16.604 1.00 3.09 N ATOM 98 CZ ARG A 7 5.275 7.678 17.615 1.00 4.49 C ATOM 99 NH1 ARG A 7 6.508 8.165 17.401 1.00 5.78 N ATOM 100 NH2 ARG A 7 4.798 7.629 18.866 1.00 5.04 N ATOM 0 H ARG A 7 4.431 5.986 10.555 1.00 0.75 H new ATOM 0 HA ARG A 7 2.299 5.603 12.396 1.00 1.01 H new ATOM 0 HB2 ARG A 7 4.853 6.001 12.752 1.00 1.23 H new ATOM 0 HB3 ARG A 7 4.520 7.697 12.463 1.00 1.23 H new ATOM 0 HG2 ARG A 7 2.969 7.765 14.386 1.00 1.50 H new ATOM 0 HG3 ARG A 7 3.155 6.040 14.637 1.00 1.50 H new ATOM 0 HD2 ARG A 7 5.634 6.417 15.027 1.00 2.59 H new ATOM 0 HD3 ARG A 7 5.355 8.143 14.904 1.00 2.59 H new ATOM 0 HE ARG A 7 3.572 6.900 16.842 1.00 3.09 H new ATOM 0 HH11 ARG A 7 6.882 8.207 16.453 1.00 5.78 H new ATOM 0 HH12 ARG A 7 7.070 8.493 18.186 1.00 5.78 H new ATOM 0 HH21 ARG A 7 3.863 7.261 19.041 1.00 5.04 H new ATOM 0 HH22 ARG A 7 5.370 7.960 19.643 1.00 5.04 H new ATOM 114 N THR A 8 1.992 8.260 10.609 1.00 1.06 N ATOM 115 CA THR A 8 1.222 9.492 10.340 1.00 1.26 C ATOM 116 C THR A 8 0.172 9.370 9.226 1.00 1.26 C ATOM 117 O THR A 8 -0.678 10.256 9.118 1.00 1.62 O ATOM 118 CB THR A 8 2.158 10.696 10.111 1.00 1.36 C ATOM 119 OG1 THR A 8 3.172 10.416 9.172 1.00 1.35 O ATOM 120 CG2 THR A 8 2.873 11.110 11.397 1.00 1.45 C ATOM 0 H THR A 8 2.609 7.999 9.839 1.00 1.06 H new ATOM 0 HA THR A 8 0.640 9.665 11.245 1.00 1.26 H new ATOM 0 HB THR A 8 1.507 11.491 9.747 1.00 1.36 H new ATOM 0 HG1 THR A 8 3.881 9.894 9.602 1.00 1.35 H new ATOM 0 HG21 THR A 8 3.523 11.961 11.194 1.00 1.45 H new ATOM 0 HG22 THR A 8 2.136 11.388 12.150 1.00 1.45 H new ATOM 0 HG23 THR A 8 3.471 10.276 11.765 1.00 1.45 H new ATOM 128 N ARG A 9 0.190 8.293 8.421 1.00 1.01 N ATOM 129 CA ARG A 9 -0.735 8.049 7.290 1.00 1.16 C ATOM 130 C ARG A 9 -1.446 6.685 7.291 1.00 1.01 C ATOM 131 O ARG A 9 -2.435 6.537 6.575 1.00 1.23 O ATOM 132 CB ARG A 9 0.048 8.181 5.965 1.00 1.56 C ATOM 133 CG ARG A 9 0.844 9.479 5.751 1.00 1.41 C ATOM 134 CD ARG A 9 -0.034 10.732 5.686 1.00 1.41 C ATOM 135 NE ARG A 9 0.796 11.926 5.468 1.00 1.47 N ATOM 136 CZ ARG A 9 0.542 13.165 5.926 1.00 2.13 C ATOM 137 NH1 ARG A 9 -0.556 13.443 6.646 1.00 3.01 N ATOM 138 NH2 ARG A 9 1.411 14.148 5.657 1.00 2.94 N ATOM 0 H ARG A 9 0.869 7.542 8.540 1.00 1.01 H new ATOM 0 HA ARG A 9 -1.521 8.796 7.400 1.00 1.16 H new ATOM 0 HB2 ARG A 9 0.742 7.343 5.897 1.00 1.56 H new ATOM 0 HB3 ARG A 9 -0.659 8.078 5.142 1.00 1.56 H new ATOM 0 HG2 ARG A 9 1.564 9.592 6.561 1.00 1.41 H new ATOM 0 HG3 ARG A 9 1.415 9.397 4.826 1.00 1.41 H new ATOM 0 HD2 ARG A 9 -0.761 10.634 4.880 1.00 1.41 H new ATOM 0 HD3 ARG A 9 -0.598 10.837 6.613 1.00 1.41 H new ATOM 0 HE ARG A 9 1.645 11.803 4.917 1.00 1.47 H new ATOM 0 HH11 ARG A 9 -1.226 12.704 6.860 1.00 3.01 H new ATOM 0 HH12 ARG A 9 -0.720 14.393 6.979 1.00 3.01 H new ATOM 0 HH21 ARG A 9 2.251 13.952 5.112 1.00 2.94 H new ATOM 0 HH22 ARG A 9 1.233 15.093 5.997 1.00 2.94 H new ATOM 152 N CYS A 10 -0.939 5.677 8.007 1.00 0.83 N ATOM 153 CA CYS A 10 -1.351 4.271 7.813 1.00 0.89 C ATOM 154 C CYS A 10 -1.682 3.501 9.106 1.00 0.88 C ATOM 155 O CYS A 10 -2.412 2.505 9.052 1.00 1.12 O ATOM 156 CB CYS A 10 -0.238 3.509 7.082 1.00 1.07 C ATOM 157 SG CYS A 10 0.621 4.314 5.687 1.00 1.14 S ATOM 0 H CYS A 10 -0.236 5.804 8.735 1.00 0.83 H new ATOM 0 HA CYS A 10 -2.274 4.324 7.236 1.00 0.89 H new ATOM 0 HB2 CYS A 10 0.516 3.240 7.821 1.00 1.07 H new ATOM 0 HB3 CYS A 10 -0.666 2.578 6.711 1.00 1.07 H new ATOM 0 HG CYS A 10 1.523 3.509 5.210 1.00 1.14 H new ATOM 162 N SER A 11 -1.177 3.938 10.263 1.00 0.85 N ATOM 163 CA SER A 11 -1.320 3.260 11.569 1.00 1.08 C ATOM 164 C SER A 11 -2.736 3.337 12.153 1.00 1.29 C ATOM 165 O SER A 11 -3.053 2.648 13.126 1.00 2.19 O ATOM 166 CB SER A 11 -0.307 3.841 12.561 1.00 1.21 C ATOM 167 OG SER A 11 1.000 3.488 12.150 1.00 1.95 O ATOM 0 H SER A 11 -0.638 4.802 10.326 1.00 0.85 H new ATOM 0 HA SER A 11 -1.123 2.202 11.396 1.00 1.08 H new ATOM 0 HB2 SER A 11 -0.406 4.925 12.608 1.00 1.21 H new ATOM 0 HB3 SER A 11 -0.502 3.460 13.563 1.00 1.21 H new ATOM 0 HG SER A 11 1.234 3.987 11.340 1.00 1.95 H new ATOM 173 N SER A 12 -3.607 4.121 11.519 1.00 1.37 N ATOM 174 CA SER A 12 -5.048 4.199 11.753 1.00 1.61 C ATOM 175 C SER A 12 -5.838 2.962 11.303 1.00 1.30 C ATOM 176 O SER A 12 -6.978 2.801 11.747 1.00 1.61 O ATOM 177 CB SER A 12 -5.575 5.432 11.016 1.00 2.04 C ATOM 178 OG SER A 12 -5.110 5.444 9.676 1.00 3.28 O ATOM 0 H SER A 12 -3.306 4.759 10.782 1.00 1.37 H new ATOM 0 HA SER A 12 -5.194 4.260 12.831 1.00 1.61 H new ATOM 0 HB2 SER A 12 -6.665 5.433 11.029 1.00 2.04 H new ATOM 0 HB3 SER A 12 -5.249 6.337 11.529 1.00 2.04 H new ATOM 0 HG SER A 12 -5.456 6.237 9.217 1.00 3.28 H new ATOM 184 N CYS A 13 -5.265 2.099 10.448 1.00 0.94 N ATOM 185 CA CYS A 13 -5.964 0.933 9.875 1.00 0.89 C ATOM 186 C CYS A 13 -5.124 -0.347 9.680 1.00 0.92 C ATOM 187 O CYS A 13 -5.700 -1.406 9.414 1.00 1.18 O ATOM 188 CB CYS A 13 -6.531 1.309 8.503 1.00 0.82 C ATOM 189 SG CYS A 13 -7.651 2.740 8.413 1.00 0.79 S ATOM 0 H CYS A 13 -4.299 2.190 10.132 1.00 0.94 H new ATOM 0 HA CYS A 13 -6.724 0.691 10.618 1.00 0.89 H new ATOM 0 HB2 CYS A 13 -5.692 1.498 7.834 1.00 0.82 H new ATOM 0 HB3 CYS A 13 -7.063 0.442 8.111 1.00 0.82 H new ATOM 0 HG CYS A 13 -8.032 2.916 7.183 1.00 0.79 H new ATOM 194 N HIS A 14 -3.788 -0.269 9.745 1.00 0.88 N ATOM 195 CA HIS A 14 -2.872 -1.364 9.399 1.00 0.86 C ATOM 196 C HIS A 14 -1.878 -1.743 10.514 1.00 0.82 C ATOM 197 O HIS A 14 -1.836 -1.180 11.607 1.00 1.08 O ATOM 198 CB HIS A 14 -2.122 -0.996 8.101 1.00 1.15 C ATOM 199 CG HIS A 14 -2.921 -1.187 6.850 1.00 0.57 C ATOM 200 ND1 HIS A 14 -3.293 -2.378 6.267 1.00 1.72 N ATOM 201 CD2 HIS A 14 -3.229 -0.185 5.991 1.00 0.94 C ATOM 202 CE1 HIS A 14 -3.813 -2.080 5.059 1.00 1.99 C ATOM 203 NE2 HIS A 14 -3.795 -0.746 4.836 1.00 0.75 N ATOM 0 H HIS A 14 -3.303 0.576 10.046 1.00 0.88 H new ATOM 0 HA HIS A 14 -3.484 -2.254 9.256 1.00 0.86 H new ATOM 0 HB2 HIS A 14 -1.807 0.046 8.161 1.00 1.15 H new ATOM 0 HB3 HIS A 14 -1.217 -1.600 8.035 1.00 1.15 H new ATOM 0 HD1 HIS A 14 -3.194 -3.309 6.672 1.00 1.72 H new ATOM 0 HD2 HIS A 14 -3.066 0.868 6.166 1.00 0.94 H new ATOM 0 HE1 HIS A 14 -4.194 -2.811 4.361 1.00 1.99 H new ATOM 211 N THR A 15 -1.049 -2.726 10.165 1.00 0.76 N ATOM 212 CA THR A 15 0.119 -3.242 10.896 1.00 0.83 C ATOM 213 C THR A 15 1.218 -3.620 9.883 1.00 0.76 C ATOM 214 O THR A 15 0.945 -3.703 8.683 1.00 0.95 O ATOM 215 CB THR A 15 -0.265 -4.479 11.726 1.00 1.05 C ATOM 216 OG1 THR A 15 -0.902 -5.443 10.933 1.00 1.57 O ATOM 217 CG2 THR A 15 -1.247 -4.229 12.864 1.00 1.37 C ATOM 0 H THR A 15 -1.185 -3.229 9.288 1.00 0.76 H new ATOM 0 HA THR A 15 0.484 -2.471 11.574 1.00 0.83 H new ATOM 0 HB THR A 15 0.696 -4.796 12.132 1.00 1.05 H new ATOM 0 HG1 THR A 15 -1.134 -6.219 11.485 1.00 1.57 H new ATOM 0 HG21 THR A 15 -1.449 -5.166 13.383 1.00 1.37 H new ATOM 0 HG22 THR A 15 -0.818 -3.512 13.564 1.00 1.37 H new ATOM 0 HG23 THR A 15 -2.178 -3.830 12.460 1.00 1.37 H new ATOM 225 N VAL A 16 2.453 -3.887 10.322 1.00 0.83 N ATOM 226 CA VAL A 16 3.508 -4.483 9.471 1.00 0.76 C ATOM 227 C VAL A 16 4.127 -5.684 10.184 1.00 0.83 C ATOM 228 O VAL A 16 4.961 -5.547 11.077 1.00 1.14 O ATOM 229 CB VAL A 16 4.579 -3.465 9.015 1.00 0.92 C ATOM 230 CG1 VAL A 16 5.465 -4.078 7.916 1.00 1.37 C ATOM 231 CG2 VAL A 16 3.953 -2.195 8.432 1.00 1.36 C ATOM 0 H VAL A 16 2.757 -3.698 11.277 1.00 0.83 H new ATOM 0 HA VAL A 16 3.033 -4.822 8.550 1.00 0.76 H new ATOM 0 HB VAL A 16 5.161 -3.213 9.901 1.00 0.92 H new ATOM 0 HG11 VAL A 16 6.214 -3.350 7.605 1.00 1.37 H new ATOM 0 HG12 VAL A 16 5.962 -4.967 8.303 1.00 1.37 H new ATOM 0 HG13 VAL A 16 4.847 -4.351 7.061 1.00 1.37 H new ATOM 0 HG21 VAL A 16 4.742 -1.508 8.125 1.00 1.36 H new ATOM 0 HG22 VAL A 16 3.341 -2.454 7.568 1.00 1.36 H new ATOM 0 HG23 VAL A 16 3.330 -1.717 9.187 1.00 1.36 H new ATOM 241 N GLY A 17 3.713 -6.882 9.772 1.00 0.89 N ATOM 242 CA GLY A 17 4.185 -8.153 10.339 1.00 1.18 C ATOM 243 C GLY A 17 3.507 -8.502 11.664 1.00 1.45 C ATOM 244 O GLY A 17 4.180 -8.684 12.680 1.00 1.52 O ATOM 0 H GLY A 17 3.030 -7.003 9.024 1.00 0.89 H new ATOM 0 HA2 GLY A 17 4.004 -8.954 9.622 1.00 1.18 H new ATOM 0 HA3 GLY A 17 5.263 -8.099 10.491 1.00 1.18 H new ATOM 376 N PRO A 28 -5.326 -6.450 7.061 1.00 1.66 N ATOM 377 CA PRO A 28 -4.066 -7.199 7.099 1.00 1.55 C ATOM 378 C PRO A 28 -2.798 -6.352 7.264 1.00 1.20 C ATOM 379 O PRO A 28 -2.800 -5.127 7.098 1.00 1.13 O ATOM 380 CB PRO A 28 -3.997 -7.978 5.776 1.00 2.23 C ATOM 381 CG PRO A 28 -5.446 -8.067 5.317 1.00 2.90 C ATOM 382 CD PRO A 28 -6.032 -6.751 5.818 1.00 2.37 C ATOM 0 HA PRO A 28 -4.080 -7.832 7.986 1.00 1.55 H new ATOM 0 HB2 PRO A 28 -3.378 -7.462 5.042 1.00 2.23 H new ATOM 0 HB3 PRO A 28 -3.563 -8.968 5.919 1.00 2.23 H new ATOM 0 HG2 PRO A 28 -5.524 -8.160 4.234 1.00 2.90 H new ATOM 0 HG3 PRO A 28 -5.956 -8.929 5.748 1.00 2.90 H new ATOM 0 HD2 PRO A 28 -5.891 -5.956 5.086 1.00 2.37 H new ATOM 0 HD3 PRO A 28 -7.105 -6.840 5.989 1.00 2.37 H new ATOM 390 N ASP A 29 -1.688 -7.043 7.542 1.00 1.40 N ATOM 391 CA ASP A 29 -0.351 -6.456 7.612 1.00 1.39 C ATOM 392 C ASP A 29 0.400 -6.402 6.265 1.00 1.26 C ATOM 393 O ASP A 29 0.133 -7.171 5.334 1.00 1.46 O ATOM 394 CB ASP A 29 0.477 -7.110 8.730 1.00 2.10 C ATOM 395 CG ASP A 29 1.203 -8.394 8.351 1.00 1.84 C ATOM 396 OD1 ASP A 29 2.148 -8.325 7.541 1.00 2.97 O ATOM 397 OD2 ASP A 29 0.924 -9.447 8.966 1.00 2.58 O ATOM 0 H ASP A 29 -1.697 -8.046 7.728 1.00 1.40 H new ATOM 0 HA ASP A 29 -0.498 -5.407 7.868 1.00 1.39 H new ATOM 0 HB2 ASP A 29 1.214 -6.388 9.081 1.00 2.10 H new ATOM 0 HB3 ASP A 29 -0.185 -7.323 9.570 1.00 2.10 H new ATOM 402 N LEU A 30 1.384 -5.500 6.193 1.00 1.14 N ATOM 403 CA LEU A 30 2.125 -5.145 4.973 1.00 1.09 C ATOM 404 C LEU A 30 3.525 -5.792 4.853 1.00 1.09 C ATOM 405 O LEU A 30 4.334 -5.361 4.031 1.00 1.40 O ATOM 406 CB LEU A 30 2.223 -3.609 4.864 1.00 1.14 C ATOM 407 CG LEU A 30 0.939 -2.823 5.174 1.00 1.12 C ATOM 408 CD1 LEU A 30 1.210 -1.325 5.023 1.00 1.24 C ATOM 409 CD2 LEU A 30 -0.212 -3.176 4.232 1.00 1.23 C ATOM 0 H LEU A 30 1.699 -4.977 7.010 1.00 1.14 H new ATOM 0 HA LEU A 30 1.556 -5.556 4.139 1.00 1.09 H new ATOM 0 HB2 LEU A 30 3.006 -3.267 5.541 1.00 1.14 H new ATOM 0 HB3 LEU A 30 2.543 -3.357 3.853 1.00 1.14 H new ATOM 0 HG LEU A 30 0.651 -3.086 6.192 1.00 1.12 H new ATOM 0 HD11 LEU A 30 0.300 -0.767 5.243 1.00 1.24 H new ATOM 0 HD12 LEU A 30 1.996 -1.026 5.717 1.00 1.24 H new ATOM 0 HD13 LEU A 30 1.528 -1.114 4.002 1.00 1.24 H new ATOM 0 HD21 LEU A 30 -1.092 -2.591 4.498 1.00 1.23 H new ATOM 0 HD22 LEU A 30 0.076 -2.951 3.205 1.00 1.23 H new ATOM 0 HD23 LEU A 30 -0.442 -4.238 4.320 1.00 1.23 H new ATOM 421 N LEU A 31 3.858 -6.785 5.682 1.00 0.92 N ATOM 422 CA LEU A 31 5.178 -7.433 5.679 1.00 0.95 C ATOM 423 C LEU A 31 5.257 -8.465 4.554 1.00 0.96 C ATOM 424 O LEU A 31 4.327 -9.240 4.324 1.00 1.52 O ATOM 425 CB LEU A 31 5.403 -8.054 7.064 1.00 0.97 C ATOM 426 CG LEU A 31 6.789 -8.509 7.555 1.00 1.29 C ATOM 427 CD1 LEU A 31 7.478 -9.553 6.683 1.00 2.53 C ATOM 428 CD2 LEU A 31 7.705 -7.307 7.774 1.00 2.93 C ATOM 0 H LEU A 31 3.218 -7.166 6.379 1.00 0.92 H new ATOM 0 HA LEU A 31 5.970 -6.709 5.488 1.00 0.95 H new ATOM 0 HB2 LEU A 31 5.037 -7.330 7.792 1.00 0.97 H new ATOM 0 HB3 LEU A 31 4.750 -8.925 7.124 1.00 0.97 H new ATOM 0 HG LEU A 31 6.597 -9.013 8.502 1.00 1.29 H new ATOM 0 HD11 LEU A 31 8.446 -9.806 7.115 1.00 2.53 H new ATOM 0 HD12 LEU A 31 6.859 -10.449 6.630 1.00 2.53 H new ATOM 0 HD13 LEU A 31 7.622 -9.152 5.680 1.00 2.53 H new ATOM 0 HD21 LEU A 31 8.680 -7.651 8.121 1.00 2.93 H new ATOM 0 HD22 LEU A 31 7.824 -6.765 6.836 1.00 2.93 H new ATOM 0 HD23 LEU A 31 7.266 -6.646 8.522 1.00 2.93 H new ATOM 440 N GLY A 32 6.386 -8.500 3.860 1.00 0.99 N ATOM 441 CA GLY A 32 6.729 -9.534 2.863 1.00 1.02 C ATOM 442 C GLY A 32 5.954 -9.487 1.539 1.00 0.99 C ATOM 443 O GLY A 32 6.481 -9.917 0.516 1.00 1.08 O ATOM 0 H GLY A 32 7.116 -7.796 3.970 1.00 0.99 H new ATOM 0 HA2 GLY A 32 7.793 -9.454 2.640 1.00 1.02 H new ATOM 0 HA3 GLY A 32 6.571 -10.512 3.317 1.00 1.02 H new ATOM 447 N VAL A 33 4.774 -8.861 1.487 1.00 1.08 N ATOM 448 CA VAL A 33 3.999 -8.654 0.246 1.00 1.17 C ATOM 449 C VAL A 33 4.818 -7.948 -0.853 1.00 0.87 C ATOM 450 O VAL A 33 4.686 -8.274 -2.031 1.00 0.99 O ATOM 451 CB VAL A 33 2.670 -7.943 0.581 1.00 1.47 C ATOM 452 CG1 VAL A 33 2.855 -6.522 1.121 1.00 1.64 C ATOM 453 CG2 VAL A 33 1.721 -7.886 -0.615 1.00 2.08 C ATOM 0 H VAL A 33 4.318 -8.476 2.314 1.00 1.08 H new ATOM 0 HA VAL A 33 3.756 -9.626 -0.183 1.00 1.17 H new ATOM 0 HB VAL A 33 2.232 -8.557 1.368 1.00 1.47 H new ATOM 0 HG11 VAL A 33 1.880 -6.084 1.334 1.00 1.64 H new ATOM 0 HG12 VAL A 33 3.446 -6.555 2.036 1.00 1.64 H new ATOM 0 HG13 VAL A 33 3.371 -5.914 0.377 1.00 1.64 H new ATOM 0 HG21 VAL A 33 0.802 -7.376 -0.326 1.00 2.08 H new ATOM 0 HG22 VAL A 33 2.196 -7.342 -1.431 1.00 2.08 H new ATOM 0 HG23 VAL A 33 1.487 -8.899 -0.942 1.00 2.08 H new ATOM 463 N THR A 34 5.775 -7.096 -0.457 1.00 0.69 N ATOM 464 CA THR A 34 6.830 -6.504 -1.308 1.00 0.76 C ATOM 465 C THR A 34 7.560 -7.518 -2.209 1.00 0.75 C ATOM 466 O THR A 34 7.816 -7.230 -3.382 1.00 0.94 O ATOM 467 CB THR A 34 7.847 -5.733 -0.429 1.00 1.09 C ATOM 468 OG1 THR A 34 8.992 -5.364 -1.161 1.00 1.88 O ATOM 469 CG2 THR A 34 8.375 -6.503 0.788 1.00 2.16 C ATOM 0 H THR A 34 5.842 -6.783 0.511 1.00 0.69 H new ATOM 0 HA THR A 34 6.322 -5.820 -1.988 1.00 0.76 H new ATOM 0 HB THR A 34 7.265 -4.877 -0.088 1.00 1.09 H new ATOM 0 HG1 THR A 34 9.611 -4.879 -0.577 1.00 1.88 H new ATOM 0 HG21 THR A 34 9.079 -5.878 1.337 1.00 2.16 H new ATOM 0 HG22 THR A 34 7.542 -6.770 1.439 1.00 2.16 H new ATOM 0 HG23 THR A 34 8.879 -7.410 0.454 1.00 2.16 H new ATOM 477 N ARG A 35 7.838 -8.727 -1.702 1.00 0.89 N ATOM 478 CA ARG A 35 8.564 -9.816 -2.390 1.00 1.23 C ATOM 479 C ARG A 35 7.651 -10.953 -2.885 1.00 1.45 C ATOM 480 O ARG A 35 8.142 -11.996 -3.317 1.00 1.96 O ATOM 481 CB ARG A 35 9.761 -10.291 -1.553 1.00 1.58 C ATOM 482 CG ARG A 35 9.344 -10.875 -0.201 1.00 1.63 C ATOM 483 CD ARG A 35 10.523 -11.526 0.510 1.00 2.53 C ATOM 484 NE ARG A 35 10.078 -12.100 1.786 1.00 3.51 N ATOM 485 CZ ARG A 35 10.888 -12.557 2.749 1.00 4.76 C ATOM 486 NH1 ARG A 35 12.223 -12.517 2.613 1.00 5.37 N ATOM 487 NH2 ARG A 35 10.341 -13.062 3.864 1.00 5.92 N ATOM 0 H ARG A 35 7.552 -8.989 -0.759 1.00 0.89 H new ATOM 0 HA ARG A 35 8.971 -9.400 -3.311 1.00 1.23 H new ATOM 0 HB2 ARG A 35 10.315 -11.044 -2.114 1.00 1.58 H new ATOM 0 HB3 ARG A 35 10.439 -9.453 -1.388 1.00 1.58 H new ATOM 0 HG2 ARG A 35 8.930 -10.085 0.426 1.00 1.63 H new ATOM 0 HG3 ARG A 35 8.554 -11.612 -0.349 1.00 1.63 H new ATOM 0 HD2 ARG A 35 10.954 -12.305 -0.119 1.00 2.53 H new ATOM 0 HD3 ARG A 35 11.306 -10.788 0.686 1.00 2.53 H new ATOM 0 HE ARG A 35 9.073 -12.155 1.952 1.00 3.51 H new ATOM 0 HH11 ARG A 35 12.638 -12.133 1.764 1.00 5.37 H new ATOM 0 HH12 ARG A 35 12.822 -12.870 3.359 1.00 5.37 H new ATOM 0 HH21 ARG A 35 9.327 -13.092 3.966 1.00 5.92 H new ATOM 0 HH22 ARG A 35 10.939 -13.416 4.610 1.00 5.92 H new ATOM 501 N GLN A 36 6.329 -10.751 -2.839 1.00 1.31 N ATOM 502 CA GLN A 36 5.282 -11.710 -3.223 1.00 1.57 C ATOM 503 C GLN A 36 4.268 -11.157 -4.252 1.00 1.43 C ATOM 504 O GLN A 36 3.247 -11.795 -4.531 1.00 1.42 O ATOM 505 CB GLN A 36 4.599 -12.204 -1.930 1.00 1.84 C ATOM 506 CG GLN A 36 4.644 -13.727 -1.786 1.00 2.69 C ATOM 507 CD GLN A 36 3.733 -14.478 -2.754 1.00 3.77 C ATOM 508 OE1 GLN A 36 2.515 -14.469 -2.623 1.00 4.19 O ATOM 509 NE2 GLN A 36 4.253 -15.179 -3.738 1.00 5.22 N ATOM 0 H GLN A 36 5.938 -9.866 -2.515 1.00 1.31 H new ATOM 0 HA GLN A 36 5.749 -12.544 -3.747 1.00 1.57 H new ATOM 0 HB2 GLN A 36 5.086 -11.747 -1.069 1.00 1.84 H new ATOM 0 HB3 GLN A 36 3.561 -11.872 -1.922 1.00 1.84 H new ATOM 0 HG2 GLN A 36 5.670 -14.064 -1.936 1.00 2.69 H new ATOM 0 HG3 GLN A 36 4.367 -13.992 -0.766 1.00 2.69 H new ATOM 0 HE21 GLN A 36 5.264 -15.203 -3.868 1.00 5.22 H new ATOM 0 HE22 GLN A 36 3.645 -15.699 -4.371 1.00 5.22 H new ATOM 518 N ARG A 37 4.533 -9.968 -4.811 1.00 1.64 N ATOM 519 CA ARG A 37 3.743 -9.263 -5.840 1.00 1.65 C ATOM 520 C ARG A 37 4.665 -8.632 -6.903 1.00 1.68 C ATOM 521 O ARG A 37 5.894 -8.659 -6.759 1.00 2.33 O ATOM 522 CB ARG A 37 2.909 -8.146 -5.174 1.00 1.75 C ATOM 523 CG ARG A 37 1.900 -8.590 -4.104 1.00 2.05 C ATOM 524 CD ARG A 37 0.740 -9.423 -4.660 1.00 2.00 C ATOM 525 NE ARG A 37 -0.271 -9.680 -3.622 1.00 1.79 N ATOM 526 CZ ARG A 37 -0.240 -10.667 -2.707 1.00 2.35 C ATOM 527 NH1 ARG A 37 0.741 -11.582 -2.682 1.00 3.49 N ATOM 528 NH2 ARG A 37 -1.214 -10.734 -1.789 1.00 2.24 N ATOM 0 H ARG A 37 5.359 -9.434 -4.541 1.00 1.64 H new ATOM 0 HA ARG A 37 3.088 -9.986 -6.325 1.00 1.65 H new ATOM 0 HB2 ARG A 37 3.596 -7.432 -4.720 1.00 1.75 H new ATOM 0 HB3 ARG A 37 2.366 -7.614 -5.955 1.00 1.75 H new ATOM 0 HG2 ARG A 37 2.422 -9.172 -3.344 1.00 2.05 H new ATOM 0 HG3 ARG A 37 1.497 -7.707 -3.608 1.00 2.05 H new ATOM 0 HD2 ARG A 37 0.281 -8.899 -5.498 1.00 2.00 H new ATOM 0 HD3 ARG A 37 1.119 -10.369 -5.045 1.00 2.00 H new ATOM 0 HE ARG A 37 -1.072 -9.050 -3.593 1.00 1.79 H new ATOM 0 HH11 ARG A 37 1.493 -11.542 -3.370 1.00 3.49 H new ATOM 0 HH12 ARG A 37 0.735 -12.317 -1.975 1.00 3.49 H new ATOM 0 HH21 ARG A 37 -1.964 -10.043 -1.790 1.00 2.24 H new ATOM 0 HH22 ARG A 37 -1.205 -11.476 -1.089 1.00 2.24 H new ATOM 542 N ASP A 38 4.076 -8.042 -7.944 1.00 1.31 N ATOM 543 CA ASP A 38 4.736 -7.112 -8.877 1.00 1.17 C ATOM 544 C ASP A 38 5.111 -5.803 -8.150 1.00 1.05 C ATOM 545 O ASP A 38 4.249 -5.101 -7.609 1.00 1.17 O ATOM 546 CB ASP A 38 3.804 -6.908 -10.096 1.00 1.14 C ATOM 547 CG ASP A 38 4.231 -5.856 -11.138 1.00 2.41 C ATOM 548 OD1 ASP A 38 4.837 -4.816 -10.793 1.00 3.70 O ATOM 549 OD2 ASP A 38 3.919 -6.056 -12.339 1.00 3.09 O ATOM 0 H ASP A 38 3.095 -8.200 -8.173 1.00 1.31 H new ATOM 0 HA ASP A 38 5.677 -7.519 -9.246 1.00 1.17 H new ATOM 0 HB2 ASP A 38 3.699 -7.866 -10.606 1.00 1.14 H new ATOM 0 HB3 ASP A 38 2.816 -6.635 -9.725 1.00 1.14 H new ATOM 554 N ALA A 39 6.412 -5.481 -8.138 1.00 1.01 N ATOM 555 CA ALA A 39 7.001 -4.385 -7.362 1.00 0.99 C ATOM 556 C ALA A 39 6.636 -2.964 -7.836 1.00 0.94 C ATOM 557 O ALA A 39 6.944 -1.992 -7.141 1.00 1.23 O ATOM 558 CB ALA A 39 8.521 -4.570 -7.394 1.00 1.13 C ATOM 0 H ALA A 39 7.103 -5.993 -8.686 1.00 1.01 H new ATOM 0 HA ALA A 39 6.586 -4.448 -6.356 1.00 0.99 H new ATOM 0 HB1 ALA A 39 8.997 -3.771 -6.825 1.00 1.13 H new ATOM 0 HB2 ALA A 39 8.780 -5.533 -6.953 1.00 1.13 H new ATOM 0 HB3 ALA A 39 8.870 -4.538 -8.426 1.00 1.13 H new ATOM 564 N ASN A 40 5.992 -2.819 -9.001 1.00 0.84 N ATOM 565 CA ASN A 40 5.477 -1.537 -9.477 1.00 0.88 C ATOM 566 C ASN A 40 3.945 -1.449 -9.380 1.00 0.75 C ATOM 567 O ASN A 40 3.435 -0.402 -8.977 1.00 0.91 O ATOM 568 CB ASN A 40 6.002 -1.265 -10.888 1.00 1.09 C ATOM 569 CG ASN A 40 5.724 0.171 -11.285 1.00 2.36 C ATOM 570 OD1 ASN A 40 6.410 1.088 -10.851 1.00 3.15 O ATOM 571 ND2 ASN A 40 4.692 0.425 -12.047 1.00 3.63 N ATOM 0 H ASN A 40 5.815 -3.594 -9.640 1.00 0.84 H new ATOM 0 HA ASN A 40 5.846 -0.748 -8.822 1.00 0.88 H new ATOM 0 HB2 ASN A 40 7.074 -1.460 -10.928 1.00 1.09 H new ATOM 0 HB3 ASN A 40 5.528 -1.944 -11.597 1.00 1.09 H new ATOM 0 HD21 ASN A 40 4.456 1.389 -12.282 1.00 3.63 H new ATOM 0 HD22 ASN A 40 4.123 -0.341 -12.407 1.00 3.63 H new ATOM 578 N TRP A 41 3.231 -2.546 -9.669 1.00 0.61 N ATOM 579 CA TRP A 41 1.770 -2.657 -9.498 1.00 0.61 C ATOM 580 C TRP A 41 1.349 -2.365 -8.052 1.00 0.74 C ATOM 581 O TRP A 41 0.473 -1.532 -7.821 1.00 0.82 O ATOM 582 CB TRP A 41 1.334 -4.077 -9.896 1.00 0.64 C ATOM 583 CG TRP A 41 -0.114 -4.432 -9.691 1.00 0.85 C ATOM 584 CD1 TRP A 41 -1.100 -4.289 -10.605 1.00 0.93 C ATOM 585 CD2 TRP A 41 -0.755 -5.024 -8.513 1.00 1.19 C ATOM 586 NE1 TRP A 41 -2.304 -4.724 -10.079 1.00 1.27 N ATOM 587 CE2 TRP A 41 -2.151 -5.165 -8.783 1.00 1.48 C ATOM 588 CE3 TRP A 41 -0.301 -5.456 -7.244 1.00 1.36 C ATOM 589 CZ2 TRP A 41 -3.048 -5.681 -7.839 1.00 1.91 C ATOM 590 CZ3 TRP A 41 -1.197 -5.971 -6.285 1.00 1.81 C ATOM 591 CH2 TRP A 41 -2.566 -6.092 -6.586 1.00 2.10 C ATOM 0 H TRP A 41 3.657 -3.397 -10.035 1.00 0.61 H new ATOM 0 HA TRP A 41 1.284 -1.918 -10.136 1.00 0.61 H new ATOM 0 HB2 TRP A 41 1.572 -4.221 -10.950 1.00 0.64 H new ATOM 0 HB3 TRP A 41 1.939 -4.787 -9.333 1.00 0.64 H new ATOM 0 HD1 TRP A 41 -0.967 -3.893 -11.601 1.00 0.93 H new ATOM 0 HE1 TRP A 41 -3.190 -4.719 -10.585 1.00 1.27 H new ATOM 0 HE3 TRP A 41 0.750 -5.390 -7.006 1.00 1.36 H new ATOM 0 HZ2 TRP A 41 -4.099 -5.762 -8.073 1.00 1.91 H new ATOM 0 HZ3 TRP A 41 -0.831 -6.274 -5.315 1.00 1.81 H new ATOM 0 HH2 TRP A 41 -3.246 -6.501 -5.853 1.00 2.10 H new ATOM 602 N LEU A 42 2.024 -2.979 -7.072 1.00 0.84 N ATOM 603 CA LEU A 42 1.708 -2.827 -5.644 1.00 1.05 C ATOM 604 C LEU A 42 1.862 -1.372 -5.162 1.00 1.13 C ATOM 605 O LEU A 42 1.071 -0.888 -4.349 1.00 1.25 O ATOM 606 CB LEU A 42 2.635 -3.785 -4.867 1.00 1.19 C ATOM 607 CG LEU A 42 2.419 -3.812 -3.343 1.00 1.44 C ATOM 608 CD1 LEU A 42 1.039 -4.358 -2.964 1.00 2.40 C ATOM 609 CD2 LEU A 42 3.483 -4.694 -2.688 1.00 2.00 C ATOM 0 H LEU A 42 2.813 -3.601 -7.249 1.00 0.84 H new ATOM 0 HA LEU A 42 0.662 -3.079 -5.467 1.00 1.05 H new ATOM 0 HB2 LEU A 42 2.497 -4.794 -5.256 1.00 1.19 H new ATOM 0 HB3 LEU A 42 3.670 -3.506 -5.067 1.00 1.19 H new ATOM 0 HG LEU A 42 2.492 -2.783 -2.990 1.00 1.44 H new ATOM 0 HD11 LEU A 42 0.933 -4.358 -1.879 1.00 2.40 H new ATOM 0 HD12 LEU A 42 0.265 -3.729 -3.404 1.00 2.40 H new ATOM 0 HD13 LEU A 42 0.935 -5.376 -3.338 1.00 2.40 H new ATOM 0 HD21 LEU A 42 3.328 -4.711 -1.609 1.00 2.00 H new ATOM 0 HD22 LEU A 42 3.408 -5.708 -3.082 1.00 2.00 H new ATOM 0 HD23 LEU A 42 4.473 -4.293 -2.906 1.00 2.00 H new ATOM 621 N VAL A 43 2.874 -0.676 -5.688 1.00 1.09 N ATOM 622 CA VAL A 43 3.187 0.725 -5.377 1.00 1.19 C ATOM 623 C VAL A 43 2.224 1.684 -6.082 1.00 1.14 C ATOM 624 O VAL A 43 1.718 2.615 -5.458 1.00 1.39 O ATOM 625 CB VAL A 43 4.661 1.022 -5.721 1.00 1.25 C ATOM 626 CG1 VAL A 43 5.046 2.473 -5.426 1.00 1.44 C ATOM 627 CG2 VAL A 43 5.581 0.108 -4.897 1.00 1.54 C ATOM 0 H VAL A 43 3.520 -1.084 -6.364 1.00 1.09 H new ATOM 0 HA VAL A 43 3.051 0.886 -4.308 1.00 1.19 H new ATOM 0 HB VAL A 43 4.779 0.841 -6.789 1.00 1.25 H new ATOM 0 HG11 VAL A 43 6.093 2.632 -5.685 1.00 1.44 H new ATOM 0 HG12 VAL A 43 4.421 3.143 -6.017 1.00 1.44 H new ATOM 0 HG13 VAL A 43 4.899 2.680 -4.366 1.00 1.44 H new ATOM 0 HG21 VAL A 43 6.621 0.321 -5.143 1.00 1.54 H new ATOM 0 HG22 VAL A 43 5.415 0.287 -3.835 1.00 1.54 H new ATOM 0 HG23 VAL A 43 5.360 -0.934 -5.128 1.00 1.54 H new ATOM 637 N ARG A 44 1.895 1.422 -7.353 1.00 0.88 N ATOM 638 CA ARG A 44 0.917 2.202 -8.130 1.00 0.76 C ATOM 639 C ARG A 44 -0.478 2.107 -7.511 1.00 0.77 C ATOM 640 O ARG A 44 -1.126 3.132 -7.319 1.00 0.87 O ATOM 641 CB ARG A 44 0.956 1.753 -9.595 1.00 0.67 C ATOM 642 CG ARG A 44 0.059 2.642 -10.465 1.00 1.56 C ATOM 643 CD ARG A 44 0.246 2.306 -11.946 1.00 1.88 C ATOM 644 NE ARG A 44 -0.700 3.063 -12.782 1.00 2.85 N ATOM 645 CZ ARG A 44 -1.578 2.545 -13.661 1.00 3.75 C ATOM 646 NH1 ARG A 44 -1.645 1.228 -13.907 1.00 4.48 N ATOM 647 NH2 ARG A 44 -2.413 3.364 -14.313 1.00 4.78 N ATOM 0 H ARG A 44 2.305 0.651 -7.880 1.00 0.88 H new ATOM 0 HA ARG A 44 1.183 3.259 -8.102 1.00 0.76 H new ATOM 0 HB2 ARG A 44 1.981 1.792 -9.964 1.00 0.67 H new ATOM 0 HB3 ARG A 44 0.629 0.716 -9.670 1.00 0.67 H new ATOM 0 HG2 ARG A 44 -0.985 2.502 -10.183 1.00 1.56 H new ATOM 0 HG3 ARG A 44 0.298 3.691 -10.291 1.00 1.56 H new ATOM 0 HD2 ARG A 44 1.268 2.535 -12.248 1.00 1.88 H new ATOM 0 HD3 ARG A 44 0.100 1.237 -12.101 1.00 1.88 H new ATOM 0 HE ARG A 44 -0.689 4.078 -12.686 1.00 2.85 H new ATOM 0 HH11 ARG A 44 -1.019 0.586 -13.421 1.00 4.48 H new ATOM 0 HH12 ARG A 44 -2.322 0.869 -14.580 1.00 4.48 H new ATOM 0 HH21 ARG A 44 -2.379 4.369 -14.141 1.00 4.78 H new ATOM 0 HH22 ARG A 44 -3.083 2.983 -14.981 1.00 4.78 H new ATOM 661 N TRP A 45 -0.890 0.901 -7.104 1.00 0.79 N ATOM 662 CA TRP A 45 -2.091 0.668 -6.299 1.00 0.83 C ATOM 663 C TRP A 45 -2.124 1.572 -5.063 1.00 0.88 C ATOM 664 O TRP A 45 -3.052 2.361 -4.922 1.00 0.91 O ATOM 665 CB TRP A 45 -2.184 -0.815 -5.896 1.00 0.84 C ATOM 666 CG TRP A 45 -2.944 -1.084 -4.629 1.00 0.77 C ATOM 667 CD1 TRP A 45 -2.372 -1.324 -3.425 1.00 0.82 C ATOM 668 CD2 TRP A 45 -4.384 -1.013 -4.382 1.00 0.91 C ATOM 669 NE1 TRP A 45 -3.355 -1.452 -2.464 1.00 0.99 N ATOM 670 CE2 TRP A 45 -4.614 -1.255 -2.992 1.00 1.02 C ATOM 671 CE3 TRP A 45 -5.516 -0.726 -5.177 1.00 1.15 C ATOM 672 CZ2 TRP A 45 -5.898 -1.238 -2.426 1.00 1.29 C ATOM 673 CZ3 TRP A 45 -6.809 -0.696 -4.617 1.00 1.38 C ATOM 674 CH2 TRP A 45 -7.003 -0.957 -3.248 1.00 1.43 C ATOM 0 H TRP A 45 -0.387 0.043 -7.330 1.00 0.79 H new ATOM 0 HA TRP A 45 -2.959 0.919 -6.909 1.00 0.83 H new ATOM 0 HB2 TRP A 45 -2.656 -1.367 -6.709 1.00 0.84 H new ATOM 0 HB3 TRP A 45 -1.174 -1.210 -5.786 1.00 0.84 H new ATOM 0 HD1 TRP A 45 -1.310 -1.403 -3.244 1.00 0.82 H new ATOM 0 HE1 TRP A 45 -3.173 -1.666 -1.484 1.00 0.99 H new ATOM 0 HE3 TRP A 45 -5.389 -0.526 -6.231 1.00 1.15 H new ATOM 0 HZ2 TRP A 45 -6.035 -1.438 -1.374 1.00 1.29 H new ATOM 0 HZ3 TRP A 45 -7.659 -0.471 -5.244 1.00 1.38 H new ATOM 0 HH2 TRP A 45 -7.999 -0.941 -2.830 1.00 1.43 H new ATOM 685 N LEU A 46 -1.121 1.489 -4.179 1.00 0.98 N ATOM 686 CA LEU A 46 -1.180 2.184 -2.888 1.00 1.18 C ATOM 687 C LEU A 46 -1.010 3.711 -3.001 1.00 1.15 C ATOM 688 O LEU A 46 -1.394 4.425 -2.078 1.00 1.34 O ATOM 689 CB LEU A 46 -0.262 1.482 -1.866 1.00 1.46 C ATOM 690 CG LEU A 46 1.254 1.701 -2.024 1.00 1.61 C ATOM 691 CD1 LEU A 46 1.730 3.015 -1.416 1.00 1.88 C ATOM 692 CD2 LEU A 46 2.018 0.577 -1.318 1.00 2.59 C ATOM 0 H LEU A 46 -0.267 0.953 -4.332 1.00 0.98 H new ATOM 0 HA LEU A 46 -2.192 2.099 -2.493 1.00 1.18 H new ATOM 0 HB2 LEU A 46 -0.550 1.813 -0.868 1.00 1.46 H new ATOM 0 HB3 LEU A 46 -0.457 0.411 -1.915 1.00 1.46 H new ATOM 0 HG LEU A 46 1.447 1.717 -3.097 1.00 1.61 H new ATOM 0 HD11 LEU A 46 2.806 3.113 -1.558 1.00 1.88 H new ATOM 0 HD12 LEU A 46 1.222 3.847 -1.904 1.00 1.88 H new ATOM 0 HD13 LEU A 46 1.503 3.026 -0.350 1.00 1.88 H new ATOM 0 HD21 LEU A 46 3.090 0.737 -1.433 1.00 2.59 H new ATOM 0 HD22 LEU A 46 1.763 0.574 -0.258 1.00 2.59 H new ATOM 0 HD23 LEU A 46 1.745 -0.382 -1.759 1.00 2.59 H new ATOM 704 N LYS A 47 -0.463 4.207 -4.120 1.00 0.99 N ATOM 705 CA LYS A 47 -0.305 5.641 -4.418 1.00 1.02 C ATOM 706 C LYS A 47 -1.570 6.298 -4.998 1.00 0.89 C ATOM 707 O LYS A 47 -1.754 7.502 -4.808 1.00 1.04 O ATOM 708 CB LYS A 47 0.923 5.810 -5.335 1.00 1.13 C ATOM 709 CG LYS A 47 1.198 7.283 -5.667 1.00 1.12 C ATOM 710 CD LYS A 47 2.515 7.515 -6.416 1.00 1.24 C ATOM 711 CE LYS A 47 2.801 9.017 -6.572 1.00 2.44 C ATOM 712 NZ LYS A 47 1.772 9.710 -7.380 1.00 3.63 N ATOM 0 H LYS A 47 -0.108 3.607 -4.864 1.00 0.99 H new ATOM 0 HA LYS A 47 -0.143 6.173 -3.481 1.00 1.02 H new ATOM 0 HB2 LYS A 47 1.799 5.379 -4.850 1.00 1.13 H new ATOM 0 HB3 LYS A 47 0.764 5.254 -6.259 1.00 1.13 H new ATOM 0 HG2 LYS A 47 0.376 7.669 -6.269 1.00 1.12 H new ATOM 0 HG3 LYS A 47 1.212 7.858 -4.741 1.00 1.12 H new ATOM 0 HD2 LYS A 47 3.334 7.039 -5.876 1.00 1.24 H new ATOM 0 HD3 LYS A 47 2.466 7.046 -7.399 1.00 1.24 H new ATOM 0 HE2 LYS A 47 2.854 9.478 -5.586 1.00 2.44 H new ATOM 0 HE3 LYS A 47 3.776 9.151 -7.040 1.00 2.44 H new ATOM 0 HZ1 LYS A 47 2.063 10.696 -7.541 1.00 3.63 H new ATOM 0 HZ2 LYS A 47 1.665 9.227 -8.295 1.00 3.63 H new ATOM 0 HZ3 LYS A 47 0.864 9.695 -6.873 1.00 3.63 H new ATOM 726 N VAL A 48 -2.435 5.551 -5.696 1.00 0.73 N ATOM 727 CA VAL A 48 -3.644 6.103 -6.351 1.00 0.65 C ATOM 728 C VAL A 48 -4.900 5.182 -6.252 1.00 0.59 C ATOM 729 O VAL A 48 -5.611 4.955 -7.238 1.00 0.68 O ATOM 730 CB VAL A 48 -3.243 6.590 -7.770 1.00 0.75 C ATOM 731 CG1 VAL A 48 -3.282 5.549 -8.895 1.00 1.71 C ATOM 732 CG2 VAL A 48 -4.021 7.852 -8.148 1.00 1.49 C ATOM 0 H VAL A 48 -2.323 4.546 -5.827 1.00 0.73 H new ATOM 0 HA VAL A 48 -4.005 6.974 -5.803 1.00 0.65 H new ATOM 0 HB VAL A 48 -2.180 6.815 -7.680 1.00 0.75 H new ATOM 0 HG11 VAL A 48 -2.981 6.015 -9.833 1.00 1.71 H new ATOM 0 HG12 VAL A 48 -2.599 4.733 -8.660 1.00 1.71 H new ATOM 0 HG13 VAL A 48 -4.294 5.157 -8.993 1.00 1.71 H new ATOM 0 HG21 VAL A 48 -3.725 8.177 -9.146 1.00 1.49 H new ATOM 0 HG22 VAL A 48 -5.090 7.637 -8.138 1.00 1.49 H new ATOM 0 HG23 VAL A 48 -3.803 8.642 -7.430 1.00 1.49 H new ATOM 742 N PRO A 49 -5.209 4.614 -5.066 1.00 0.58 N ATOM 743 CA PRO A 49 -6.098 3.449 -4.916 1.00 0.62 C ATOM 744 C PRO A 49 -7.579 3.668 -5.273 1.00 0.78 C ATOM 745 O PRO A 49 -8.293 2.691 -5.506 1.00 1.18 O ATOM 746 CB PRO A 49 -5.951 3.019 -3.450 1.00 0.66 C ATOM 747 CG PRO A 49 -5.557 4.316 -2.743 1.00 0.73 C ATOM 748 CD PRO A 49 -4.652 4.976 -3.768 1.00 0.61 C ATOM 0 HA PRO A 49 -5.793 2.691 -5.637 1.00 0.62 H new ATOM 0 HB2 PRO A 49 -6.882 2.612 -3.055 1.00 0.66 H new ATOM 0 HB3 PRO A 49 -5.190 2.248 -3.331 1.00 0.66 H new ATOM 0 HG2 PRO A 49 -6.425 4.932 -2.509 1.00 0.73 H new ATOM 0 HG3 PRO A 49 -5.038 4.126 -1.803 1.00 0.73 H new ATOM 0 HD2 PRO A 49 -4.633 6.058 -3.637 1.00 0.61 H new ATOM 0 HD3 PRO A 49 -3.625 4.625 -3.669 1.00 0.61 H new ATOM 756 N ASP A 50 -8.078 4.906 -5.332 1.00 0.65 N ATOM 757 CA ASP A 50 -9.454 5.204 -5.776 1.00 0.79 C ATOM 758 C ASP A 50 -9.530 5.413 -7.299 1.00 0.79 C ATOM 759 O ASP A 50 -10.513 5.016 -7.932 1.00 0.87 O ATOM 760 CB ASP A 50 -9.981 6.411 -4.987 1.00 1.05 C ATOM 761 CG ASP A 50 -11.466 6.703 -5.214 1.00 1.49 C ATOM 762 OD1 ASP A 50 -12.307 5.792 -5.010 1.00 2.54 O ATOM 763 OD2 ASP A 50 -11.810 7.861 -5.563 1.00 2.09 O ATOM 0 H ASP A 50 -7.543 5.735 -5.074 1.00 0.65 H new ATOM 0 HA ASP A 50 -10.096 4.348 -5.568 1.00 0.79 H new ATOM 0 HB2 ASP A 50 -9.814 6.238 -3.924 1.00 1.05 H new ATOM 0 HB3 ASP A 50 -9.402 7.293 -5.262 1.00 1.05 H new ATOM 768 N GLN A 51 -8.465 5.959 -7.906 1.00 0.78 N ATOM 769 CA GLN A 51 -8.358 6.176 -9.351 1.00 0.83 C ATOM 770 C GLN A 51 -8.176 4.861 -10.113 1.00 0.76 C ATOM 771 O GLN A 51 -8.763 4.708 -11.183 1.00 0.88 O ATOM 772 CB GLN A 51 -7.170 7.110 -9.630 1.00 0.93 C ATOM 773 CG GLN A 51 -6.918 7.456 -11.103 1.00 1.26 C ATOM 774 CD GLN A 51 -8.079 8.199 -11.751 1.00 2.30 C ATOM 775 OE1 GLN A 51 -8.110 9.421 -11.811 1.00 2.67 O ATOM 776 NE2 GLN A 51 -9.077 7.492 -12.225 1.00 3.97 N ATOM 0 H GLN A 51 -7.639 6.267 -7.393 1.00 0.78 H new ATOM 0 HA GLN A 51 -9.286 6.629 -9.699 1.00 0.83 H new ATOM 0 HB2 GLN A 51 -7.327 8.039 -9.081 1.00 0.93 H new ATOM 0 HB3 GLN A 51 -6.268 6.649 -9.226 1.00 0.93 H new ATOM 0 HG2 GLN A 51 -6.018 8.066 -11.178 1.00 1.26 H new ATOM 0 HG3 GLN A 51 -6.728 6.537 -11.658 1.00 1.26 H new ATOM 0 HE21 GLN A 51 -9.050 6.474 -12.174 1.00 3.97 H new ATOM 0 HE22 GLN A 51 -9.880 7.961 -12.644 1.00 3.97 H new ATOM 785 N MET A 52 -7.405 3.911 -9.572 1.00 0.64 N ATOM 786 CA MET A 52 -7.175 2.583 -10.164 1.00 0.60 C ATOM 787 C MET A 52 -8.488 1.837 -10.466 1.00 0.66 C ATOM 788 O MET A 52 -8.643 1.245 -11.532 1.00 0.78 O ATOM 789 CB MET A 52 -6.304 1.776 -9.184 1.00 0.71 C ATOM 790 CG MET A 52 -4.840 2.218 -9.206 1.00 1.60 C ATOM 791 SD MET A 52 -3.898 1.717 -10.671 1.00 1.70 S ATOM 792 CE MET A 52 -3.595 -0.021 -10.262 1.00 1.24 C ATOM 0 H MET A 52 -6.911 4.045 -8.690 1.00 0.64 H new ATOM 0 HA MET A 52 -6.671 2.704 -11.123 1.00 0.60 H new ATOM 0 HB2 MET A 52 -6.699 1.887 -8.174 1.00 0.71 H new ATOM 0 HB3 MET A 52 -6.365 0.717 -9.435 1.00 0.71 H new ATOM 0 HG2 MET A 52 -4.805 3.305 -9.127 1.00 1.60 H new ATOM 0 HG3 MET A 52 -4.344 1.818 -8.322 1.00 1.60 H new ATOM 0 HE1 MET A 52 -2.992 -0.479 -11.046 1.00 1.24 H new ATOM 0 HE2 MET A 52 -3.065 -0.084 -9.312 1.00 1.24 H new ATOM 0 HE3 MET A 52 -4.546 -0.547 -10.182 1.00 1.24 H new ATOM 802 N LEU A 53 -9.470 1.929 -9.560 1.00 0.73 N ATOM 803 CA LEU A 53 -10.787 1.301 -9.720 1.00 0.83 C ATOM 804 C LEU A 53 -11.679 2.020 -10.764 1.00 0.87 C ATOM 805 O LEU A 53 -12.555 1.406 -11.372 1.00 0.95 O ATOM 806 CB LEU A 53 -11.482 1.235 -8.344 1.00 0.95 C ATOM 807 CG LEU A 53 -10.722 0.456 -7.248 1.00 0.99 C ATOM 808 CD1 LEU A 53 -11.493 0.544 -5.931 1.00 1.81 C ATOM 809 CD2 LEU A 53 -10.529 -1.022 -7.598 1.00 2.06 C ATOM 0 H LEU A 53 -9.371 2.447 -8.687 1.00 0.73 H new ATOM 0 HA LEU A 53 -10.634 0.294 -10.108 1.00 0.83 H new ATOM 0 HB2 LEU A 53 -11.648 2.253 -7.992 1.00 0.95 H new ATOM 0 HB3 LEU A 53 -12.463 0.779 -8.474 1.00 0.95 H new ATOM 0 HG LEU A 53 -9.736 0.913 -7.161 1.00 0.99 H new ATOM 0 HD11 LEU A 53 -10.956 -0.006 -5.158 1.00 1.81 H new ATOM 0 HD12 LEU A 53 -11.588 1.588 -5.634 1.00 1.81 H new ATOM 0 HD13 LEU A 53 -12.485 0.112 -6.061 1.00 1.81 H new ATOM 0 HD21 LEU A 53 -9.989 -1.519 -6.792 1.00 2.06 H new ATOM 0 HD22 LEU A 53 -11.502 -1.495 -7.729 1.00 2.06 H new ATOM 0 HD23 LEU A 53 -9.958 -1.105 -8.523 1.00 2.06 H new ATOM 821 N ALA A 54 -11.451 3.319 -11.001 1.00 0.85 N ATOM 822 CA ALA A 54 -12.125 4.110 -12.039 1.00 0.94 C ATOM 823 C ALA A 54 -11.474 3.959 -13.432 1.00 1.02 C ATOM 824 O ALA A 54 -12.154 3.902 -14.458 1.00 1.18 O ATOM 825 CB ALA A 54 -12.165 5.568 -11.575 1.00 0.96 C ATOM 0 H ALA A 54 -10.776 3.862 -10.463 1.00 0.85 H new ATOM 0 HA ALA A 54 -13.140 3.734 -12.168 1.00 0.94 H new ATOM 0 HB1 ALA A 54 -12.662 6.177 -12.330 1.00 0.96 H new ATOM 0 HB2 ALA A 54 -12.714 5.636 -10.636 1.00 0.96 H new ATOM 0 HB3 ALA A 54 -11.148 5.931 -11.428 1.00 0.96 H new ATOM 831 N GLU A 55 -10.147 3.816 -13.475 1.00 1.03 N ATOM 832 CA GLU A 55 -9.374 3.468 -14.673 1.00 1.19 C ATOM 833 C GLU A 55 -9.643 2.022 -15.139 1.00 1.28 C ATOM 834 O GLU A 55 -9.351 1.666 -16.288 1.00 1.54 O ATOM 835 CB GLU A 55 -7.883 3.683 -14.348 1.00 1.17 C ATOM 836 CG GLU A 55 -6.960 3.695 -15.572 1.00 2.17 C ATOM 837 CD GLU A 55 -7.146 4.967 -16.414 1.00 3.30 C ATOM 838 OE1 GLU A 55 -8.101 5.025 -17.226 1.00 4.44 O ATOM 839 OE2 GLU A 55 -6.357 5.930 -16.273 1.00 3.99 O ATOM 0 H GLU A 55 -9.560 3.943 -12.650 1.00 1.03 H new ATOM 0 HA GLU A 55 -9.678 4.108 -15.501 1.00 1.19 H new ATOM 0 HB2 GLU A 55 -7.773 4.628 -13.817 1.00 1.17 H new ATOM 0 HB3 GLU A 55 -7.555 2.896 -13.669 1.00 1.17 H new ATOM 0 HG2 GLU A 55 -5.922 3.624 -15.246 1.00 2.17 H new ATOM 0 HG3 GLU A 55 -7.162 2.819 -16.188 1.00 2.17 H new ATOM 846 N LYS A 56 -10.243 1.204 -14.258 1.00 1.24 N ATOM 847 CA LYS A 56 -10.462 -0.239 -14.406 1.00 1.34 C ATOM 848 C LYS A 56 -9.143 -0.978 -14.665 1.00 1.44 C ATOM 849 O LYS A 56 -9.040 -1.786 -15.586 1.00 1.88 O ATOM 850 CB LYS A 56 -11.579 -0.546 -15.425 1.00 1.72 C ATOM 851 CG LYS A 56 -12.897 0.208 -15.168 1.00 2.45 C ATOM 852 CD LYS A 56 -13.983 -0.282 -16.138 1.00 3.09 C ATOM 853 CE LYS A 56 -15.274 0.547 -16.093 1.00 4.16 C ATOM 854 NZ LYS A 56 -15.952 0.477 -14.782 1.00 4.44 N ATOM 0 H LYS A 56 -10.608 1.556 -13.373 1.00 1.24 H new ATOM 0 HA LYS A 56 -10.833 -0.633 -13.459 1.00 1.34 H new ATOM 0 HB2 LYS A 56 -11.221 -0.298 -16.424 1.00 1.72 H new ATOM 0 HB3 LYS A 56 -11.779 -1.617 -15.415 1.00 1.72 H new ATOM 0 HG2 LYS A 56 -13.220 0.051 -14.139 1.00 2.45 H new ATOM 0 HG3 LYS A 56 -12.743 1.280 -15.294 1.00 2.45 H new ATOM 0 HD2 LYS A 56 -13.586 -0.264 -17.153 1.00 3.09 H new ATOM 0 HD3 LYS A 56 -14.221 -1.320 -15.908 1.00 3.09 H new ATOM 0 HE2 LYS A 56 -15.041 1.587 -16.322 1.00 4.16 H new ATOM 0 HE3 LYS A 56 -15.954 0.195 -16.868 1.00 4.16 H new ATOM 0 HZ1 LYS A 56 -16.817 1.054 -14.807 1.00 4.44 H new ATOM 0 HZ2 LYS A 56 -16.201 -0.511 -14.572 1.00 4.44 H new ATOM 0 HZ3 LYS A 56 -15.316 0.838 -14.043 1.00 4.44 H new ATOM 868 N ASP A 57 -8.134 -0.675 -13.850 1.00 1.38 N ATOM 869 CA ASP A 57 -6.849 -1.365 -13.823 1.00 1.52 C ATOM 870 C ASP A 57 -7.062 -2.650 -13.024 1.00 1.52 C ATOM 871 O ASP A 57 -7.424 -2.607 -11.840 1.00 1.53 O ATOM 872 CB ASP A 57 -5.739 -0.503 -13.212 1.00 1.65 C ATOM 873 CG ASP A 57 -4.720 -0.097 -14.278 1.00 2.98 C ATOM 874 OD1 ASP A 57 -3.821 -0.913 -14.593 1.00 3.07 O ATOM 875 OD2 ASP A 57 -4.755 1.045 -14.784 1.00 4.46 O ATOM 0 H ASP A 57 -8.192 0.082 -13.169 1.00 1.38 H new ATOM 0 HA ASP A 57 -6.516 -1.584 -14.838 1.00 1.52 H new ATOM 0 HB2 ASP A 57 -6.172 0.388 -12.758 1.00 1.65 H new ATOM 0 HB3 ASP A 57 -5.239 -1.055 -12.416 1.00 1.65 H new ATOM 880 N PRO A 58 -6.917 -3.806 -13.678 1.00 1.57 N ATOM 881 CA PRO A 58 -7.389 -5.054 -13.111 1.00 1.66 C ATOM 882 C PRO A 58 -6.469 -5.581 -11.995 1.00 2.00 C ATOM 883 O PRO A 58 -5.455 -4.976 -11.630 1.00 3.99 O ATOM 884 CB PRO A 58 -7.561 -5.946 -14.334 1.00 1.64 C ATOM 885 CG PRO A 58 -6.466 -5.470 -15.287 1.00 1.68 C ATOM 886 CD PRO A 58 -6.520 -3.976 -15.071 1.00 1.58 C ATOM 0 HA PRO A 58 -8.330 -4.976 -12.566 1.00 1.66 H new ATOM 0 HB2 PRO A 58 -7.441 -6.999 -14.081 1.00 1.64 H new ATOM 0 HB3 PRO A 58 -8.552 -5.834 -14.775 1.00 1.64 H new ATOM 0 HG2 PRO A 58 -5.491 -5.887 -15.035 1.00 1.68 H new ATOM 0 HG3 PRO A 58 -6.673 -5.744 -16.321 1.00 1.68 H new ATOM 0 HD2 PRO A 58 -5.551 -3.515 -15.264 1.00 1.58 H new ATOM 0 HD3 PRO A 58 -7.236 -3.506 -15.745 1.00 1.58 H new ATOM 894 N LEU A 59 -6.872 -6.696 -11.392 1.00 0.76 N ATOM 895 CA LEU A 59 -6.453 -7.249 -10.108 1.00 0.83 C ATOM 896 C LEU A 59 -6.728 -6.365 -8.877 1.00 0.64 C ATOM 897 O LEU A 59 -7.088 -6.917 -7.839 1.00 0.69 O ATOM 898 CB LEU A 59 -5.017 -7.761 -10.247 1.00 1.17 C ATOM 899 CG LEU A 59 -4.542 -8.727 -9.153 1.00 1.67 C ATOM 900 CD1 LEU A 59 -5.448 -9.947 -8.973 1.00 2.47 C ATOM 901 CD2 LEU A 59 -3.172 -9.216 -9.598 1.00 1.81 C ATOM 0 H LEU A 59 -7.570 -7.294 -11.835 1.00 0.76 H new ATOM 0 HA LEU A 59 -7.099 -8.095 -9.874 1.00 0.83 H new ATOM 0 HB2 LEU A 59 -4.921 -8.259 -11.212 1.00 1.17 H new ATOM 0 HB3 LEU A 59 -4.346 -6.903 -10.264 1.00 1.17 H new ATOM 0 HG LEU A 59 -4.541 -8.201 -8.198 1.00 1.67 H new ATOM 0 HD11 LEU A 59 -5.049 -10.583 -8.183 1.00 2.47 H new ATOM 0 HD12 LEU A 59 -6.451 -9.618 -8.702 1.00 2.47 H new ATOM 0 HD13 LEU A 59 -5.490 -10.510 -9.906 1.00 2.47 H new ATOM 0 HD21 LEU A 59 -2.776 -9.912 -8.858 1.00 1.81 H new ATOM 0 HD22 LEU A 59 -3.261 -9.721 -10.560 1.00 1.81 H new ATOM 0 HD23 LEU A 59 -2.496 -8.366 -9.695 1.00 1.81 H new ATOM 913 N ALA A 60 -6.702 -5.025 -8.958 1.00 0.55 N ATOM 914 CA ALA A 60 -7.178 -4.192 -7.842 1.00 0.54 C ATOM 915 C ALA A 60 -8.685 -4.371 -7.596 1.00 0.56 C ATOM 916 O ALA A 60 -9.137 -4.494 -6.458 1.00 0.60 O ATOM 917 CB ALA A 60 -6.880 -2.729 -8.136 1.00 0.59 C ATOM 0 H ALA A 60 -6.364 -4.504 -9.767 1.00 0.55 H new ATOM 0 HA ALA A 60 -6.653 -4.510 -6.941 1.00 0.54 H new ATOM 0 HB1 ALA A 60 -7.233 -2.113 -7.309 1.00 0.59 H new ATOM 0 HB2 ALA A 60 -5.805 -2.594 -8.257 1.00 0.59 H new ATOM 0 HB3 ALA A 60 -7.388 -2.431 -9.053 1.00 0.59 H new ATOM 923 N MET A 61 -9.440 -4.471 -8.693 1.00 0.59 N ATOM 924 CA MET A 61 -10.882 -4.740 -8.735 1.00 0.67 C ATOM 925 C MET A 61 -11.265 -5.996 -7.943 1.00 0.73 C ATOM 926 O MET A 61 -12.329 -6.036 -7.325 1.00 0.88 O ATOM 927 CB MET A 61 -11.313 -4.934 -10.207 1.00 0.79 C ATOM 928 CG MET A 61 -10.758 -3.914 -11.214 1.00 0.91 C ATOM 929 SD MET A 61 -11.328 -2.213 -11.005 1.00 1.83 S ATOM 930 CE MET A 61 -12.829 -2.318 -12.007 1.00 2.37 C ATOM 0 H MET A 61 -9.042 -4.361 -9.626 1.00 0.59 H new ATOM 0 HA MET A 61 -11.389 -3.889 -8.280 1.00 0.67 H new ATOM 0 HB2 MET A 61 -11.008 -5.931 -10.525 1.00 0.79 H new ATOM 0 HB3 MET A 61 -12.402 -4.904 -10.253 1.00 0.79 H new ATOM 0 HG2 MET A 61 -9.670 -3.923 -11.149 1.00 0.91 H new ATOM 0 HG3 MET A 61 -11.020 -4.244 -12.219 1.00 0.91 H new ATOM 0 HE1 MET A 61 -13.335 -1.353 -12.006 1.00 2.37 H new ATOM 0 HE2 MET A 61 -12.566 -2.589 -13.029 1.00 2.37 H new ATOM 0 HE3 MET A 61 -13.492 -3.076 -11.590 1.00 2.37 H new ATOM 940 N LEU A 62 -10.384 -7.000 -7.929 1.00 0.72 N ATOM 941 CA LEU A 62 -10.526 -8.230 -7.180 1.00 0.86 C ATOM 942 C LEU A 62 -10.023 -8.091 -5.743 1.00 0.79 C ATOM 943 O LEU A 62 -10.691 -8.563 -4.822 1.00 0.91 O ATOM 944 CB LEU A 62 -9.703 -9.279 -7.926 1.00 1.02 C ATOM 945 CG LEU A 62 -9.918 -10.706 -7.414 1.00 1.61 C ATOM 946 CD1 LEU A 62 -11.368 -11.179 -7.562 1.00 2.88 C ATOM 947 CD2 LEU A 62 -9.028 -11.672 -8.192 1.00 2.01 C ATOM 0 H LEU A 62 -9.518 -6.966 -8.466 1.00 0.72 H new ATOM 0 HA LEU A 62 -11.578 -8.507 -7.108 1.00 0.86 H new ATOM 0 HB2 LEU A 62 -9.956 -9.240 -8.986 1.00 1.02 H new ATOM 0 HB3 LEU A 62 -8.646 -9.027 -7.841 1.00 1.02 H new ATOM 0 HG LEU A 62 -9.667 -10.695 -6.353 1.00 1.61 H new ATOM 0 HD11 LEU A 62 -11.459 -12.197 -7.183 1.00 2.88 H new ATOM 0 HD12 LEU A 62 -12.025 -10.520 -6.995 1.00 2.88 H new ATOM 0 HD13 LEU A 62 -11.652 -11.157 -8.614 1.00 2.88 H new ATOM 0 HD21 LEU A 62 -9.184 -12.686 -7.825 1.00 2.01 H new ATOM 0 HD22 LEU A 62 -9.281 -11.627 -9.251 1.00 2.01 H new ATOM 0 HD23 LEU A 62 -7.983 -11.394 -8.056 1.00 2.01 H new ATOM 959 N LEU A 63 -8.865 -7.441 -5.542 1.00 0.71 N ATOM 960 CA LEU A 63 -8.236 -7.333 -4.229 1.00 0.81 C ATOM 961 C LEU A 63 -9.178 -6.640 -3.251 1.00 0.80 C ATOM 962 O LEU A 63 -9.325 -7.063 -2.102 1.00 0.91 O ATOM 963 CB LEU A 63 -6.913 -6.570 -4.425 1.00 0.99 C ATOM 964 CG LEU A 63 -6.128 -6.290 -3.130 1.00 1.14 C ATOM 965 CD1 LEU A 63 -4.644 -6.204 -3.461 1.00 1.88 C ATOM 966 CD2 LEU A 63 -6.502 -4.958 -2.465 1.00 2.54 C ATOM 0 H LEU A 63 -8.345 -6.979 -6.288 1.00 0.71 H new ATOM 0 HA LEU A 63 -8.024 -8.312 -3.799 1.00 0.81 H new ATOM 0 HB2 LEU A 63 -6.278 -7.142 -5.101 1.00 0.99 H new ATOM 0 HB3 LEU A 63 -7.127 -5.620 -4.915 1.00 0.99 H new ATOM 0 HG LEU A 63 -6.370 -7.103 -2.446 1.00 1.14 H new ATOM 0 HD11 LEU A 63 -4.079 -6.006 -2.550 1.00 1.88 H new ATOM 0 HD12 LEU A 63 -4.313 -7.147 -3.895 1.00 1.88 H new ATOM 0 HD13 LEU A 63 -4.477 -5.397 -4.175 1.00 1.88 H new ATOM 0 HD21 LEU A 63 -5.911 -4.825 -1.559 1.00 2.54 H new ATOM 0 HD22 LEU A 63 -6.299 -4.138 -3.154 1.00 2.54 H new ATOM 0 HD23 LEU A 63 -7.562 -4.964 -2.210 1.00 2.54 H new ATOM 978 N PHE A 64 -9.846 -5.593 -3.729 1.00 0.72 N ATOM 979 CA PHE A 64 -10.673 -4.772 -2.848 1.00 0.72 C ATOM 980 C PHE A 64 -11.999 -5.460 -2.496 1.00 0.78 C ATOM 981 O PHE A 64 -12.365 -5.499 -1.323 1.00 0.86 O ATOM 982 CB PHE A 64 -10.752 -3.318 -3.343 1.00 0.67 C ATOM 983 CG PHE A 64 -12.034 -2.900 -4.024 1.00 0.68 C ATOM 984 CD1 PHE A 64 -12.307 -3.335 -5.332 1.00 1.87 C ATOM 985 CD2 PHE A 64 -12.923 -2.024 -3.371 1.00 2.11 C ATOM 986 CE1 PHE A 64 -13.466 -2.896 -5.991 1.00 2.01 C ATOM 987 CE2 PHE A 64 -14.072 -1.568 -4.038 1.00 2.15 C ATOM 988 CZ PHE A 64 -14.340 -2.007 -5.346 1.00 1.08 C ATOM 0 H PHE A 64 -9.833 -5.296 -4.705 1.00 0.72 H new ATOM 0 HA PHE A 64 -10.186 -4.681 -1.877 1.00 0.72 H new ATOM 0 HB2 PHE A 64 -10.590 -2.659 -2.490 1.00 0.67 H new ATOM 0 HB3 PHE A 64 -9.928 -3.150 -4.037 1.00 0.67 H new ATOM 0 HD1 PHE A 64 -11.625 -4.008 -5.831 1.00 1.87 H new ATOM 0 HD2 PHE A 64 -12.722 -1.704 -2.359 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -13.685 -3.241 -6.991 1.00 2.01 H new ATOM 0 HE2 PHE A 64 -14.747 -0.882 -3.547 1.00 2.15 H new ATOM 0 HZ PHE A 64 -15.224 -1.658 -5.858 1.00 1.08 H new ATOM 998 N GLU A 65 -12.674 -6.131 -3.442 1.00 0.81 N ATOM 999 CA GLU A 65 -13.870 -6.919 -3.084 1.00 0.89 C ATOM 1000 C GLU A 65 -13.570 -8.131 -2.177 1.00 0.94 C ATOM 1001 O GLU A 65 -14.429 -8.511 -1.376 1.00 1.08 O ATOM 1002 CB GLU A 65 -14.716 -7.302 -4.308 1.00 1.06 C ATOM 1003 CG GLU A 65 -14.129 -8.395 -5.215 1.00 1.40 C ATOM 1004 CD GLU A 65 -15.171 -8.858 -6.239 1.00 1.90 C ATOM 1005 OE1 GLU A 65 -15.495 -8.103 -7.187 1.00 2.81 O ATOM 1006 OE2 GLU A 65 -15.729 -9.970 -6.099 1.00 2.65 O ATOM 0 H GLU A 65 -12.425 -6.147 -4.431 1.00 0.81 H new ATOM 0 HA GLU A 65 -14.479 -6.247 -2.479 1.00 0.89 H new ATOM 0 HB2 GLU A 65 -15.695 -7.633 -3.960 1.00 1.06 H new ATOM 0 HB3 GLU A 65 -14.877 -6.407 -4.908 1.00 1.06 H new ATOM 0 HG2 GLU A 65 -13.248 -8.014 -5.731 1.00 1.40 H new ATOM 0 HG3 GLU A 65 -13.803 -9.241 -4.611 1.00 1.40 H new ATOM 1013 N GLN A 66 -12.365 -8.716 -2.242 1.00 0.93 N ATOM 1014 CA GLN A 66 -11.976 -9.854 -1.396 1.00 1.01 C ATOM 1015 C GLN A 66 -11.558 -9.461 0.032 1.00 0.96 C ATOM 1016 O GLN A 66 -11.772 -10.240 0.969 1.00 1.23 O ATOM 1017 CB GLN A 66 -10.874 -10.682 -2.082 1.00 1.21 C ATOM 1018 CG GLN A 66 -11.376 -11.484 -3.300 1.00 2.12 C ATOM 1019 CD GLN A 66 -10.301 -12.392 -3.899 1.00 2.80 C ATOM 1020 OE1 GLN A 66 -9.141 -12.417 -3.505 1.00 3.46 O ATOM 1021 NE2 GLN A 66 -10.635 -13.258 -4.826 1.00 3.80 N ATOM 0 H GLN A 66 -11.632 -8.413 -2.883 1.00 0.93 H new ATOM 0 HA GLN A 66 -12.872 -10.464 -1.281 1.00 1.01 H new ATOM 0 HB2 GLN A 66 -10.074 -10.014 -2.401 1.00 1.21 H new ATOM 0 HB3 GLN A 66 -10.443 -11.371 -1.356 1.00 1.21 H new ATOM 0 HG2 GLN A 66 -12.232 -12.090 -3.002 1.00 2.12 H new ATOM 0 HG3 GLN A 66 -11.727 -10.791 -4.065 1.00 2.12 H new ATOM 0 HE21 GLN A 66 -11.589 -13.277 -5.187 1.00 3.80 H new ATOM 0 HE22 GLN A 66 -9.941 -13.913 -5.186 1.00 3.80 H new ATOM 1030 N TYR A 67 -11.060 -8.239 0.243 1.00 0.82 N ATOM 1031 CA TYR A 67 -10.847 -7.653 1.576 1.00 0.91 C ATOM 1032 C TYR A 67 -12.093 -6.886 2.089 1.00 1.02 C ATOM 1033 O TYR A 67 -11.990 -5.848 2.747 1.00 1.39 O ATOM 1034 CB TYR A 67 -9.522 -6.867 1.604 1.00 0.89 C ATOM 1035 CG TYR A 67 -8.253 -7.700 1.414 1.00 0.91 C ATOM 1036 CD1 TYR A 67 -7.989 -8.804 2.255 1.00 1.86 C ATOM 1037 CD2 TYR A 67 -7.308 -7.346 0.426 1.00 2.04 C ATOM 1038 CE1 TYR A 67 -6.811 -9.561 2.092 1.00 1.98 C ATOM 1039 CE2 TYR A 67 -6.115 -8.090 0.275 1.00 2.10 C ATOM 1040 CZ TYR A 67 -5.872 -9.203 1.103 1.00 1.24 C ATOM 1041 OH TYR A 67 -4.726 -9.915 0.937 1.00 1.50 O ATOM 0 H TYR A 67 -10.788 -7.617 -0.518 1.00 0.82 H new ATOM 0 HA TYR A 67 -10.731 -8.451 2.309 1.00 0.91 H new ATOM 0 HB2 TYR A 67 -9.555 -6.106 0.824 1.00 0.89 H new ATOM 0 HB3 TYR A 67 -9.452 -6.343 2.557 1.00 0.89 H new ATOM 0 HD1 TYR A 67 -8.695 -9.070 3.028 1.00 1.86 H new ATOM 0 HD2 TYR A 67 -7.498 -6.501 -0.219 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -6.628 -10.416 2.725 1.00 1.98 H new ATOM 0 HE2 TYR A 67 -5.391 -7.805 -0.474 1.00 2.10 H new ATOM 0 HH TYR A 67 -4.200 -9.523 0.208 1.00 1.50 H new ATOM 1051 N ASN A 68 -13.286 -7.440 1.826 1.00 1.06 N ATOM 1052 CA ASN A 68 -14.614 -6.962 2.254 1.00 1.21 C ATOM 1053 C ASN A 68 -15.052 -5.587 1.689 1.00 0.99 C ATOM 1054 O ASN A 68 -15.847 -4.880 2.314 1.00 1.03 O ATOM 1055 CB ASN A 68 -14.767 -7.113 3.787 1.00 1.56 C ATOM 1056 CG ASN A 68 -16.211 -7.208 4.266 1.00 2.23 C ATOM 1057 OD1 ASN A 68 -17.126 -7.565 3.533 1.00 2.80 O ATOM 1058 ND2 ASN A 68 -16.459 -6.949 5.531 1.00 2.51 N ATOM 0 H ASN A 68 -13.356 -8.293 1.271 1.00 1.06 H new ATOM 0 HA ASN A 68 -15.345 -7.618 1.781 1.00 1.21 H new ATOM 0 HB2 ASN A 68 -14.230 -8.006 4.108 1.00 1.56 H new ATOM 0 HB3 ASN A 68 -14.290 -6.262 4.274 1.00 1.56 H new ATOM 0 HD21 ASN A 68 -17.407 -7.046 5.895 1.00 2.51 H new ATOM 0 HD22 ASN A 68 -15.703 -6.651 6.148 1.00 2.51 H new ATOM 1065 N ARG A 69 -14.552 -5.211 0.501 1.00 0.93 N ATOM 1066 CA ARG A 69 -14.937 -4.006 -0.269 1.00 0.95 C ATOM 1067 C ARG A 69 -14.958 -2.692 0.536 1.00 0.94 C ATOM 1068 O ARG A 69 -15.863 -1.866 0.387 1.00 1.58 O ATOM 1069 CB ARG A 69 -16.243 -4.309 -1.032 1.00 1.21 C ATOM 1070 CG ARG A 69 -16.330 -3.542 -2.358 1.00 2.23 C ATOM 1071 CD ARG A 69 -17.653 -3.842 -3.070 1.00 2.06 C ATOM 1072 NE ARG A 69 -17.720 -3.212 -4.399 1.00 3.44 N ATOM 1073 CZ ARG A 69 -18.030 -1.928 -4.655 1.00 4.56 C ATOM 1074 NH1 ARG A 69 -18.280 -1.049 -3.672 1.00 5.12 N ATOM 1075 NH2 ARG A 69 -18.088 -1.514 -5.928 1.00 5.97 N ATOM 0 H ARG A 69 -13.836 -5.760 0.025 1.00 0.93 H new ATOM 0 HA ARG A 69 -14.146 -3.799 -0.990 1.00 0.95 H new ATOM 0 HB2 ARG A 69 -16.307 -5.379 -1.228 1.00 1.21 H new ATOM 0 HB3 ARG A 69 -17.096 -4.048 -0.406 1.00 1.21 H new ATOM 0 HG2 ARG A 69 -16.246 -2.471 -2.171 1.00 2.23 H new ATOM 0 HG3 ARG A 69 -15.494 -3.820 -3.000 1.00 2.23 H new ATOM 0 HD2 ARG A 69 -17.772 -4.920 -3.174 1.00 2.06 H new ATOM 0 HD3 ARG A 69 -18.482 -3.487 -2.458 1.00 2.06 H new ATOM 0 HE ARG A 69 -17.512 -3.805 -5.202 1.00 3.44 H new ATOM 0 HH11 ARG A 69 -18.238 -1.348 -2.698 1.00 5.12 H new ATOM 0 HH12 ARG A 69 -18.512 -0.082 -3.899 1.00 5.12 H new ATOM 0 HH21 ARG A 69 -17.899 -2.169 -6.686 1.00 5.97 H new ATOM 0 HH22 ARG A 69 -18.322 -0.544 -6.139 1.00 5.97 H new ATOM 1089 N LEU A 70 -13.965 -2.489 1.399 1.00 0.79 N ATOM 1090 CA LEU A 70 -13.858 -1.304 2.263 1.00 0.91 C ATOM 1091 C LEU A 70 -13.445 -0.032 1.489 1.00 1.20 C ATOM 1092 O LEU A 70 -13.864 1.067 1.859 1.00 2.40 O ATOM 1093 CB LEU A 70 -12.899 -1.634 3.429 1.00 0.94 C ATOM 1094 CG LEU A 70 -13.581 -1.654 4.809 1.00 1.77 C ATOM 1095 CD1 LEU A 70 -14.570 -2.815 4.939 1.00 3.58 C ATOM 1096 CD2 LEU A 70 -12.534 -1.800 5.913 1.00 2.70 C ATOM 0 H LEU A 70 -13.198 -3.150 1.523 1.00 0.79 H new ATOM 0 HA LEU A 70 -14.842 -1.067 2.666 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -12.441 -2.606 3.246 1.00 0.94 H new ATOM 0 HB3 LEU A 70 -12.093 -0.900 3.443 1.00 0.94 H new ATOM 0 HG LEU A 70 -14.121 -0.712 4.909 1.00 1.77 H new ATOM 0 HD11 LEU A 70 -15.029 -2.793 5.927 1.00 3.58 H new ATOM 0 HD12 LEU A 70 -15.344 -2.721 4.177 1.00 3.58 H new ATOM 0 HD13 LEU A 70 -14.042 -3.759 4.805 1.00 3.58 H new ATOM 0 HD21 LEU A 70 -13.029 -1.813 6.884 1.00 2.70 H new ATOM 0 HD22 LEU A 70 -11.985 -2.731 5.773 1.00 2.70 H new ATOM 0 HD23 LEU A 70 -11.841 -0.960 5.870 1.00 2.70 H new ATOM 1108 N ALA A 71 -12.681 -0.207 0.402 1.00 0.78 N ATOM 1109 CA ALA A 71 -12.099 0.802 -0.493 1.00 0.84 C ATOM 1110 C ALA A 71 -11.127 1.785 0.197 1.00 0.90 C ATOM 1111 O ALA A 71 -11.388 2.302 1.289 1.00 1.67 O ATOM 1112 CB ALA A 71 -13.198 1.483 -1.319 1.00 1.09 C ATOM 0 H ALA A 71 -12.431 -1.148 0.099 1.00 0.78 H new ATOM 0 HA ALA A 71 -11.448 0.273 -1.189 1.00 0.84 H new ATOM 0 HB1 ALA A 71 -12.750 2.228 -1.977 1.00 1.09 H new ATOM 0 HB2 ALA A 71 -13.719 0.736 -1.918 1.00 1.09 H new ATOM 0 HB3 ALA A 71 -13.907 1.970 -0.650 1.00 1.09 H new ATOM 1118 N MET A 72 -9.975 2.052 -0.421 1.00 0.62 N ATOM 1119 CA MET A 72 -8.880 2.830 0.172 1.00 0.62 C ATOM 1120 C MET A 72 -8.682 4.170 -0.561 1.00 0.58 C ATOM 1121 O MET A 72 -8.634 4.163 -1.792 1.00 0.55 O ATOM 1122 CB MET A 72 -7.603 1.971 0.191 1.00 0.91 C ATOM 1123 CG MET A 72 -6.451 2.663 0.928 1.00 0.85 C ATOM 1124 SD MET A 72 -5.032 1.585 1.283 1.00 0.70 S ATOM 1125 CE MET A 72 -4.277 1.457 -0.357 1.00 1.09 C ATOM 0 H MET A 72 -9.771 1.728 -1.366 1.00 0.62 H new ATOM 0 HA MET A 72 -9.132 3.088 1.201 1.00 0.62 H new ATOM 0 HB2 MET A 72 -7.817 1.016 0.670 1.00 0.91 H new ATOM 0 HB3 MET A 72 -7.298 1.753 -0.833 1.00 0.91 H new ATOM 0 HG2 MET A 72 -6.109 3.508 0.331 1.00 0.85 H new ATOM 0 HG3 MET A 72 -6.828 3.068 1.867 1.00 0.85 H new ATOM 0 HE1 MET A 72 -3.527 0.666 -0.352 1.00 1.09 H new ATOM 0 HE2 MET A 72 -5.045 1.224 -1.094 1.00 1.09 H new ATOM 0 HE3 MET A 72 -3.803 2.404 -0.614 1.00 1.09 H new ATOM 1135 N PRO A 73 -8.540 5.301 0.154 1.00 0.71 N ATOM 1136 CA PRO A 73 -8.254 6.598 -0.451 1.00 0.80 C ATOM 1137 C PRO A 73 -6.746 6.858 -0.601 1.00 0.84 C ATOM 1138 O PRO A 73 -5.923 6.301 0.124 1.00 0.88 O ATOM 1139 CB PRO A 73 -8.898 7.610 0.501 1.00 0.91 C ATOM 1140 CG PRO A 73 -8.674 6.970 1.872 1.00 0.94 C ATOM 1141 CD PRO A 73 -8.792 5.473 1.582 1.00 0.83 C ATOM 0 HA PRO A 73 -8.648 6.661 -1.465 1.00 0.80 H new ATOM 0 HB2 PRO A 73 -8.427 8.590 0.430 1.00 0.91 H new ATOM 0 HB3 PRO A 73 -9.958 7.750 0.287 1.00 0.91 H new ATOM 0 HG2 PRO A 73 -7.696 7.225 2.281 1.00 0.94 H new ATOM 0 HG3 PRO A 73 -9.418 7.300 2.597 1.00 0.94 H new ATOM 0 HD2 PRO A 73 -8.072 4.906 2.173 1.00 0.83 H new ATOM 0 HD3 PRO A 73 -9.783 5.104 1.847 1.00 0.83 H new ATOM 1149 N ASN A 74 -6.391 7.781 -1.497 1.00 0.95 N ATOM 1150 CA ASN A 74 -5.165 8.573 -1.391 1.00 1.10 C ATOM 1151 C ASN A 74 -5.369 9.662 -0.325 1.00 1.16 C ATOM 1152 O ASN A 74 -6.461 10.229 -0.182 1.00 2.03 O ATOM 1153 CB ASN A 74 -4.833 9.148 -2.780 1.00 1.26 C ATOM 1154 CG ASN A 74 -3.559 9.980 -2.863 1.00 1.48 C ATOM 1155 OD1 ASN A 74 -2.788 10.127 -1.924 1.00 1.90 O ATOM 1156 ND2 ASN A 74 -3.319 10.568 -4.004 1.00 1.85 N ATOM 0 H ASN A 74 -6.950 8.001 -2.321 1.00 0.95 H new ATOM 0 HA ASN A 74 -4.317 7.966 -1.075 1.00 1.10 H new ATOM 0 HB2 ASN A 74 -4.752 8.321 -3.485 1.00 1.26 H new ATOM 0 HB3 ASN A 74 -5.670 9.765 -3.107 1.00 1.26 H new ATOM 0 HD21 ASN A 74 -2.489 11.150 -4.113 1.00 1.85 H new ATOM 0 HD22 ASN A 74 -3.962 10.445 -4.786 1.00 1.85 H new ATOM 1163 N MET A 75 -4.305 9.974 0.402 1.00 1.13 N ATOM 1164 CA MET A 75 -4.259 11.049 1.387 1.00 1.28 C ATOM 1165 C MET A 75 -3.732 12.318 0.679 1.00 1.40 C ATOM 1166 O MET A 75 -4.522 13.069 0.091 1.00 2.64 O ATOM 1167 CB MET A 75 -3.487 10.582 2.644 1.00 1.63 C ATOM 1168 CG MET A 75 -3.770 9.137 3.090 1.00 1.60 C ATOM 1169 SD MET A 75 -5.496 8.715 3.434 1.00 2.24 S ATOM 1170 CE MET A 75 -5.587 9.197 5.176 1.00 2.97 C ATOM 0 H MET A 75 -3.422 9.471 0.321 1.00 1.13 H new ATOM 0 HA MET A 75 -5.242 11.314 1.777 1.00 1.28 H new ATOM 0 HB2 MET A 75 -2.419 10.683 2.453 1.00 1.63 H new ATOM 0 HB3 MET A 75 -3.728 11.253 3.468 1.00 1.63 H new ATOM 0 HG2 MET A 75 -3.403 8.464 2.315 1.00 1.60 H new ATOM 0 HG3 MET A 75 -3.186 8.938 3.988 1.00 1.60 H new ATOM 0 HE1 MET A 75 -6.591 9.004 5.555 1.00 2.97 H new ATOM 0 HE2 MET A 75 -4.864 8.619 5.752 1.00 2.97 H new ATOM 0 HE3 MET A 75 -5.361 10.259 5.272 1.00 2.97 H new ATOM 1180 N ARG A 76 -2.404 12.486 0.621 1.00 1.56 N ATOM 1181 CA ARG A 76 -1.630 13.522 -0.106 1.00 1.49 C ATOM 1182 C ARG A 76 -0.299 12.937 -0.628 1.00 0.99 C ATOM 1183 O ARG A 76 0.749 13.590 -0.563 1.00 1.35 O ATOM 1184 CB ARG A 76 -1.387 14.744 0.815 1.00 2.26 C ATOM 1185 CG ARG A 76 -2.637 15.538 1.243 1.00 3.22 C ATOM 1186 CD ARG A 76 -3.378 16.215 0.081 1.00 3.43 C ATOM 1187 NE ARG A 76 -2.552 17.246 -0.571 1.00 4.14 N ATOM 1188 CZ ARG A 76 -2.340 17.385 -1.893 1.00 4.92 C ATOM 1189 NH1 ARG A 76 -2.901 16.566 -2.796 1.00 5.25 N ATOM 1190 NH2 ARG A 76 -1.543 18.375 -2.320 1.00 6.10 N ATOM 0 H ARG A 76 -1.783 11.850 1.122 1.00 1.56 H new ATOM 0 HA ARG A 76 -2.205 13.856 -0.970 1.00 1.49 H new ATOM 0 HB2 ARG A 76 -0.877 14.398 1.714 1.00 2.26 H new ATOM 0 HB3 ARG A 76 -0.707 15.426 0.305 1.00 2.26 H new ATOM 0 HG2 ARG A 76 -3.324 14.865 1.755 1.00 3.22 H new ATOM 0 HG3 ARG A 76 -2.341 16.300 1.964 1.00 3.22 H new ATOM 0 HD2 ARG A 76 -3.666 15.463 -0.653 1.00 3.43 H new ATOM 0 HD3 ARG A 76 -4.298 16.667 0.451 1.00 3.43 H new ATOM 0 HE ARG A 76 -2.095 17.922 0.041 1.00 4.14 H new ATOM 0 HH11 ARG A 76 -3.511 15.808 -2.488 1.00 5.25 H new ATOM 0 HH12 ARG A 76 -2.718 16.701 -3.790 1.00 5.25 H new ATOM 0 HH21 ARG A 76 -1.109 19.007 -1.647 1.00 6.10 H new ATOM 0 HH22 ARG A 76 -1.370 18.496 -3.318 1.00 6.10 H new ATOM 1204 N LEU A 77 -0.322 11.674 -1.072 1.00 0.93 N ATOM 1205 CA LEU A 77 0.859 10.818 -1.252 1.00 1.20 C ATOM 1206 C LEU A 77 1.767 11.277 -2.408 1.00 1.32 C ATOM 1207 O LEU A 77 1.603 10.854 -3.555 1.00 1.57 O ATOM 1208 CB LEU A 77 0.401 9.356 -1.449 1.00 1.72 C ATOM 1209 CG LEU A 77 -0.297 8.702 -0.241 1.00 1.59 C ATOM 1210 CD1 LEU A 77 -0.816 7.320 -0.640 1.00 2.84 C ATOM 1211 CD2 LEU A 77 0.646 8.520 0.951 1.00 1.74 C ATOM 0 H LEU A 77 -1.191 11.204 -1.324 1.00 0.93 H new ATOM 0 HA LEU A 77 1.468 10.897 -0.351 1.00 1.20 H new ATOM 0 HB2 LEU A 77 -0.279 9.320 -2.300 1.00 1.72 H new ATOM 0 HB3 LEU A 77 1.272 8.755 -1.711 1.00 1.72 H new ATOM 0 HG LEU A 77 -1.108 9.367 0.055 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -1.310 6.856 0.214 1.00 2.84 H new ATOM 0 HD12 LEU A 77 -1.527 7.421 -1.460 1.00 2.84 H new ATOM 0 HD13 LEU A 77 0.019 6.696 -0.959 1.00 2.84 H new ATOM 0 HD21 LEU A 77 0.105 8.055 1.775 1.00 1.74 H new ATOM 0 HD22 LEU A 77 1.481 7.883 0.660 1.00 1.74 H new ATOM 0 HD23 LEU A 77 1.024 9.492 1.267 1.00 1.74 H new ATOM 1223 N GLY A 78 2.745 12.133 -2.104 1.00 1.34 N ATOM 1224 CA GLY A 78 3.818 12.492 -3.030 1.00 1.48 C ATOM 1225 C GLY A 78 4.762 11.313 -3.287 1.00 1.23 C ATOM 1226 O GLY A 78 4.975 10.474 -2.408 1.00 0.97 O ATOM 0 H GLY A 78 2.814 12.600 -1.200 1.00 1.34 H new ATOM 0 HA2 GLY A 78 3.388 12.826 -3.974 1.00 1.48 H new ATOM 0 HA3 GLY A 78 4.384 13.330 -2.624 1.00 1.48 H new ATOM 1230 N ASP A 79 5.351 11.251 -4.481 1.00 1.42 N ATOM 1231 CA ASP A 79 6.247 10.163 -4.901 1.00 1.36 C ATOM 1232 C ASP A 79 7.425 9.915 -3.931 1.00 1.17 C ATOM 1233 O ASP A 79 7.787 8.765 -3.679 1.00 1.35 O ATOM 1234 CB ASP A 79 6.735 10.446 -6.335 1.00 1.63 C ATOM 1235 CG ASP A 79 7.663 11.657 -6.441 1.00 2.10 C ATOM 1236 OD1 ASP A 79 7.177 12.812 -6.359 1.00 3.41 O ATOM 1237 OD2 ASP A 79 8.894 11.470 -6.587 1.00 3.16 O ATOM 0 H ASP A 79 5.220 11.964 -5.198 1.00 1.42 H new ATOM 0 HA ASP A 79 5.676 9.235 -4.880 1.00 1.36 H new ATOM 0 HB2 ASP A 79 7.256 9.566 -6.712 1.00 1.63 H new ATOM 0 HB3 ASP A 79 5.870 10.605 -6.979 1.00 1.63 H new ATOM 1242 N ALA A 80 7.963 10.967 -3.306 1.00 1.18 N ATOM 1243 CA ALA A 80 9.032 10.858 -2.314 1.00 1.10 C ATOM 1244 C ALA A 80 8.563 10.266 -0.967 1.00 0.93 C ATOM 1245 O ALA A 80 9.340 9.568 -0.308 1.00 0.96 O ATOM 1246 CB ALA A 80 9.643 12.250 -2.139 1.00 1.36 C ATOM 0 H ALA A 80 7.664 11.927 -3.478 1.00 1.18 H new ATOM 0 HA ALA A 80 9.779 10.152 -2.676 1.00 1.10 H new ATOM 0 HB1 ALA A 80 10.446 12.205 -1.404 1.00 1.36 H new ATOM 0 HB2 ALA A 80 10.043 12.594 -3.093 1.00 1.36 H new ATOM 0 HB3 ALA A 80 8.875 12.944 -1.796 1.00 1.36 H new ATOM 1252 N GLU A 81 7.306 10.493 -0.567 1.00 0.91 N ATOM 1253 CA GLU A 81 6.718 9.882 0.635 1.00 0.82 C ATOM 1254 C GLU A 81 6.460 8.386 0.410 1.00 0.66 C ATOM 1255 O GLU A 81 6.787 7.549 1.252 1.00 0.61 O ATOM 1256 CB GLU A 81 5.393 10.570 1.028 1.00 1.06 C ATOM 1257 CG GLU A 81 5.455 12.092 1.214 1.00 1.43 C ATOM 1258 CD GLU A 81 6.412 12.526 2.329 1.00 2.22 C ATOM 1259 OE1 GLU A 81 7.642 12.541 2.098 1.00 3.72 O ATOM 1260 OE2 GLU A 81 5.951 12.928 3.428 1.00 2.96 O ATOM 0 H GLU A 81 6.665 11.107 -1.068 1.00 0.91 H new ATOM 0 HA GLU A 81 7.435 10.012 1.446 1.00 0.82 H new ATOM 0 HB2 GLU A 81 4.650 10.347 0.262 1.00 1.06 H new ATOM 0 HB3 GLU A 81 5.037 10.125 1.957 1.00 1.06 H new ATOM 0 HG2 GLU A 81 5.766 12.554 0.277 1.00 1.43 H new ATOM 0 HG3 GLU A 81 4.455 12.465 1.436 1.00 1.43 H new ATOM 1267 N VAL A 82 5.927 8.045 -0.768 1.00 0.69 N ATOM 1268 CA VAL A 82 5.699 6.657 -1.191 1.00 0.71 C ATOM 1269 C VAL A 82 7.025 5.900 -1.247 1.00 0.69 C ATOM 1270 O VAL A 82 7.143 4.839 -0.643 1.00 0.68 O ATOM 1271 CB VAL A 82 4.955 6.611 -2.541 1.00 0.83 C ATOM 1272 CG1 VAL A 82 4.810 5.185 -3.082 1.00 0.94 C ATOM 1273 CG2 VAL A 82 3.543 7.192 -2.386 1.00 0.90 C ATOM 0 H VAL A 82 5.638 8.733 -1.464 1.00 0.69 H new ATOM 0 HA VAL A 82 5.063 6.163 -0.457 1.00 0.71 H new ATOM 0 HB VAL A 82 5.552 7.197 -3.240 1.00 0.83 H new ATOM 0 HG11 VAL A 82 4.279 5.209 -4.034 1.00 0.94 H new ATOM 0 HG12 VAL A 82 5.798 4.749 -3.229 1.00 0.94 H new ATOM 0 HG13 VAL A 82 4.249 4.581 -2.369 1.00 0.94 H new ATOM 0 HG21 VAL A 82 3.027 7.155 -3.345 1.00 0.90 H new ATOM 0 HG22 VAL A 82 2.988 6.608 -1.652 1.00 0.90 H new ATOM 0 HG23 VAL A 82 3.610 8.227 -2.050 1.00 0.90 H new ATOM 1283 N SER A 83 8.055 6.457 -1.885 1.00 0.75 N ATOM 1284 CA SER A 83 9.371 5.817 -2.011 1.00 0.76 C ATOM 1285 C SER A 83 10.032 5.515 -0.652 1.00 0.64 C ATOM 1286 O SER A 83 10.640 4.454 -0.490 1.00 0.62 O ATOM 1287 CB SER A 83 10.250 6.728 -2.874 1.00 0.94 C ATOM 1288 OG SER A 83 11.427 6.076 -3.289 1.00 1.96 O ATOM 0 H SER A 83 8.002 7.372 -2.333 1.00 0.75 H new ATOM 0 HA SER A 83 9.246 4.843 -2.483 1.00 0.76 H new ATOM 0 HB2 SER A 83 9.687 7.054 -3.749 1.00 0.94 H new ATOM 0 HB3 SER A 83 10.510 7.624 -2.310 1.00 0.94 H new ATOM 0 HG SER A 83 11.962 6.686 -3.838 1.00 1.96 H new ATOM 1294 N ALA A 84 9.848 6.375 0.358 1.00 0.65 N ATOM 1295 CA ALA A 84 10.297 6.108 1.727 1.00 0.62 C ATOM 1296 C ALA A 84 9.469 5.006 2.423 1.00 0.53 C ATOM 1297 O ALA A 84 10.039 4.131 3.080 1.00 0.53 O ATOM 1298 CB ALA A 84 10.291 7.428 2.505 1.00 0.72 C ATOM 0 H ALA A 84 9.383 7.276 0.247 1.00 0.65 H new ATOM 0 HA ALA A 84 11.312 5.712 1.698 1.00 0.62 H new ATOM 0 HB1 ALA A 84 10.623 7.249 3.528 1.00 0.72 H new ATOM 0 HB2 ALA A 84 10.965 8.137 2.024 1.00 0.72 H new ATOM 0 HB3 ALA A 84 9.281 7.838 2.518 1.00 0.72 H new ATOM 1304 N LEU A 85 8.140 4.982 2.241 1.00 0.53 N ATOM 1305 CA LEU A 85 7.289 3.867 2.694 1.00 0.54 C ATOM 1306 C LEU A 85 7.722 2.523 2.083 1.00 0.58 C ATOM 1307 O LEU A 85 7.691 1.506 2.773 1.00 0.68 O ATOM 1308 CB LEU A 85 5.809 4.141 2.348 1.00 0.69 C ATOM 1309 CG LEU A 85 5.078 5.112 3.289 1.00 0.91 C ATOM 1310 CD1 LEU A 85 3.756 5.537 2.644 1.00 2.27 C ATOM 1311 CD2 LEU A 85 4.750 4.446 4.628 1.00 1.53 C ATOM 0 H LEU A 85 7.625 5.731 1.778 1.00 0.53 H new ATOM 0 HA LEU A 85 7.405 3.797 3.776 1.00 0.54 H new ATOM 0 HB2 LEU A 85 5.759 4.538 1.334 1.00 0.69 H new ATOM 0 HB3 LEU A 85 5.273 3.192 2.346 1.00 0.69 H new ATOM 0 HG LEU A 85 5.731 5.968 3.461 1.00 0.91 H new ATOM 0 HD11 LEU A 85 3.233 6.226 3.307 1.00 2.27 H new ATOM 0 HD12 LEU A 85 3.957 6.031 1.693 1.00 2.27 H new ATOM 0 HD13 LEU A 85 3.136 4.657 2.472 1.00 2.27 H new ATOM 0 HD21 LEU A 85 4.233 5.158 5.272 1.00 1.53 H new ATOM 0 HD22 LEU A 85 4.110 3.581 4.457 1.00 1.53 H new ATOM 0 HD23 LEU A 85 5.673 4.124 5.110 1.00 1.53 H new ATOM 1323 N ILE A 86 8.166 2.508 0.821 1.00 0.57 N ATOM 1324 CA ILE A 86 8.572 1.277 0.124 1.00 0.68 C ATOM 1325 C ILE A 86 9.862 0.738 0.746 1.00 0.70 C ATOM 1326 O ILE A 86 9.933 -0.448 1.061 1.00 0.87 O ATOM 1327 CB ILE A 86 8.726 1.485 -1.407 1.00 0.81 C ATOM 1328 CG1 ILE A 86 7.479 2.021 -2.152 1.00 0.95 C ATOM 1329 CG2 ILE A 86 9.150 0.174 -2.094 1.00 1.41 C ATOM 1330 CD1 ILE A 86 6.113 1.645 -1.561 1.00 0.90 C ATOM 0 H ILE A 86 8.255 3.349 0.251 1.00 0.57 H new ATOM 0 HA ILE A 86 7.778 0.541 0.250 1.00 0.68 H new ATOM 0 HB ILE A 86 9.489 2.260 -1.478 1.00 0.81 H new ATOM 0 HG12 ILE A 86 7.546 3.108 -2.191 1.00 0.95 H new ATOM 0 HG13 ILE A 86 7.516 1.662 -3.181 1.00 0.95 H new ATOM 0 HG21 ILE A 86 9.252 0.342 -3.166 1.00 1.41 H new ATOM 0 HG22 ILE A 86 10.105 -0.158 -1.686 1.00 1.41 H new ATOM 0 HG23 ILE A 86 8.394 -0.591 -1.917 1.00 1.41 H new ATOM 0 HD11 ILE A 86 5.321 2.079 -2.171 1.00 0.90 H new ATOM 0 HD12 ILE A 86 6.008 0.560 -1.548 1.00 0.90 H new ATOM 0 HD13 ILE A 86 6.039 2.028 -0.543 1.00 0.90 H new ATOM 1342 N SER A 87 10.849 1.601 1.004 1.00 0.61 N ATOM 1343 CA SER A 87 12.069 1.205 1.718 1.00 0.66 C ATOM 1344 C SER A 87 11.791 0.743 3.150 1.00 0.66 C ATOM 1345 O SER A 87 12.459 -0.178 3.615 1.00 0.79 O ATOM 1346 CB SER A 87 13.080 2.343 1.740 1.00 0.72 C ATOM 1347 OG SER A 87 13.503 2.636 0.427 1.00 1.48 O ATOM 0 H SER A 87 10.828 2.583 0.728 1.00 0.61 H new ATOM 0 HA SER A 87 12.482 0.359 1.169 1.00 0.66 H new ATOM 0 HB2 SER A 87 12.634 3.228 2.194 1.00 0.72 H new ATOM 0 HB3 SER A 87 13.937 2.067 2.354 1.00 0.72 H new ATOM 0 HG SER A 87 14.152 3.370 0.449 1.00 1.48 H new ATOM 1353 N TYR A 88 10.785 1.301 3.842 1.00 0.62 N ATOM 1354 CA TYR A 88 10.380 0.767 5.151 1.00 0.69 C ATOM 1355 C TYR A 88 9.824 -0.666 5.055 1.00 0.72 C ATOM 1356 O TYR A 88 10.277 -1.541 5.793 1.00 0.84 O ATOM 1357 CB TYR A 88 9.412 1.752 5.816 1.00 0.75 C ATOM 1358 CG TYR A 88 8.569 1.223 6.962 1.00 0.70 C ATOM 1359 CD1 TYR A 88 9.175 0.782 8.155 1.00 1.55 C ATOM 1360 CD2 TYR A 88 7.166 1.202 6.839 1.00 2.04 C ATOM 1361 CE1 TYR A 88 8.378 0.318 9.223 1.00 1.34 C ATOM 1362 CE2 TYR A 88 6.372 0.742 7.905 1.00 2.33 C ATOM 1363 CZ TYR A 88 6.972 0.296 9.100 1.00 1.08 C ATOM 1364 OH TYR A 88 6.188 -0.150 10.114 1.00 1.41 O ATOM 0 H TYR A 88 10.246 2.107 3.524 1.00 0.62 H new ATOM 0 HA TYR A 88 11.260 0.675 5.787 1.00 0.69 H new ATOM 0 HB2 TYR A 88 9.991 2.599 6.184 1.00 0.75 H new ATOM 0 HB3 TYR A 88 8.739 2.135 5.049 1.00 0.75 H new ATOM 0 HD1 TYR A 88 10.250 0.799 8.252 1.00 1.55 H new ATOM 0 HD2 TYR A 88 6.699 1.539 5.925 1.00 2.04 H new ATOM 0 HE1 TYR A 88 8.845 -0.021 10.136 1.00 1.34 H new ATOM 0 HE2 TYR A 88 5.296 0.730 7.807 1.00 2.33 H new ATOM 0 HH TYR A 88 5.382 0.404 10.172 1.00 1.41 H new ATOM 1374 N LEU A 89 8.925 -0.955 4.102 1.00 0.69 N ATOM 1375 CA LEU A 89 8.419 -2.323 3.897 1.00 0.80 C ATOM 1376 C LEU A 89 9.520 -3.293 3.432 1.00 0.87 C ATOM 1377 O LEU A 89 9.557 -4.443 3.874 1.00 1.18 O ATOM 1378 CB LEU A 89 7.245 -2.324 2.896 1.00 0.84 C ATOM 1379 CG LEU A 89 6.010 -1.495 3.297 1.00 0.99 C ATOM 1380 CD1 LEU A 89 4.875 -1.753 2.302 1.00 2.04 C ATOM 1381 CD2 LEU A 89 5.499 -1.815 4.699 1.00 2.57 C ATOM 0 H LEU A 89 8.534 -0.263 3.463 1.00 0.69 H new ATOM 0 HA LEU A 89 8.064 -2.678 4.864 1.00 0.80 H new ATOM 0 HB2 LEU A 89 7.611 -1.953 1.938 1.00 0.84 H new ATOM 0 HB3 LEU A 89 6.929 -3.355 2.739 1.00 0.84 H new ATOM 0 HG LEU A 89 6.323 -0.451 3.287 1.00 0.99 H new ATOM 0 HD11 LEU A 89 4.002 -1.166 2.586 1.00 2.04 H new ATOM 0 HD12 LEU A 89 5.196 -1.464 1.301 1.00 2.04 H new ATOM 0 HD13 LEU A 89 4.618 -2.812 2.309 1.00 2.04 H new ATOM 0 HD21 LEU A 89 4.628 -1.197 4.919 1.00 2.57 H new ATOM 0 HD22 LEU A 89 5.220 -2.867 4.753 1.00 2.57 H new ATOM 0 HD23 LEU A 89 6.283 -1.610 5.428 1.00 2.57 H new ATOM 1393 N GLU A 90 10.430 -2.835 2.571 1.00 0.68 N ATOM 1394 CA GLU A 90 11.564 -3.612 2.055 1.00 0.72 C ATOM 1395 C GLU A 90 12.548 -4.016 3.168 1.00 0.75 C ATOM 1396 O GLU A 90 13.030 -5.152 3.176 1.00 0.88 O ATOM 1397 CB GLU A 90 12.264 -2.783 0.959 1.00 0.90 C ATOM 1398 CG GLU A 90 13.433 -3.506 0.282 1.00 1.34 C ATOM 1399 CD GLU A 90 14.042 -2.656 -0.838 1.00 1.93 C ATOM 1400 OE1 GLU A 90 14.924 -1.809 -0.563 1.00 3.32 O ATOM 1401 OE2 GLU A 90 13.679 -2.846 -2.029 1.00 2.41 O ATOM 0 H GLU A 90 10.400 -1.885 2.201 1.00 0.68 H new ATOM 0 HA GLU A 90 11.192 -4.545 1.633 1.00 0.72 H new ATOM 0 HB2 GLU A 90 11.531 -2.510 0.200 1.00 0.90 H new ATOM 0 HB3 GLU A 90 12.629 -1.855 1.398 1.00 0.90 H new ATOM 0 HG2 GLU A 90 14.198 -3.737 1.023 1.00 1.34 H new ATOM 0 HG3 GLU A 90 13.088 -4.456 -0.126 1.00 1.34 H new ATOM 1408 N GLU A 91 12.845 -3.117 4.110 1.00 0.75 N ATOM 1409 CA GLU A 91 13.844 -3.331 5.166 1.00 0.88 C ATOM 1410 C GLU A 91 13.288 -3.930 6.466 1.00 1.00 C ATOM 1411 O GLU A 91 13.999 -4.697 7.120 1.00 1.15 O ATOM 1412 CB GLU A 91 14.600 -2.021 5.434 1.00 1.06 C ATOM 1413 CG GLU A 91 15.485 -1.587 4.251 1.00 1.47 C ATOM 1414 CD GLU A 91 16.523 -2.654 3.890 1.00 2.95 C ATOM 1415 OE1 GLU A 91 17.336 -3.041 4.768 1.00 3.78 O ATOM 1416 OE2 GLU A 91 16.523 -3.154 2.741 1.00 4.17 O ATOM 0 H GLU A 91 12.392 -2.205 4.163 1.00 0.75 H new ATOM 0 HA GLU A 91 14.530 -4.090 4.789 1.00 0.88 H new ATOM 0 HB2 GLU A 91 13.882 -1.231 5.653 1.00 1.06 H new ATOM 0 HB3 GLU A 91 15.222 -2.141 6.321 1.00 1.06 H new ATOM 0 HG2 GLU A 91 14.857 -1.384 3.384 1.00 1.47 H new ATOM 0 HG3 GLU A 91 15.994 -0.656 4.501 1.00 1.47 H new ATOM 1423 N GLU A 92 12.026 -3.675 6.826 1.00 1.04 N ATOM 1424 CA GLU A 92 11.361 -4.368 7.942 1.00 1.25 C ATOM 1425 C GLU A 92 11.199 -5.868 7.625 1.00 1.33 C ATOM 1426 O GLU A 92 11.440 -6.719 8.488 1.00 1.53 O ATOM 1427 CB GLU A 92 10.000 -3.693 8.210 1.00 1.34 C ATOM 1428 CG GLU A 92 9.295 -4.144 9.498 1.00 2.09 C ATOM 1429 CD GLU A 92 9.942 -3.548 10.752 1.00 2.46 C ATOM 1430 OE1 GLU A 92 9.653 -2.384 11.115 1.00 2.84 O ATOM 1431 OE2 GLU A 92 10.754 -4.233 11.418 1.00 3.26 O ATOM 0 H GLU A 92 11.437 -2.987 6.357 1.00 1.04 H new ATOM 0 HA GLU A 92 11.971 -4.294 8.842 1.00 1.25 H new ATOM 0 HB2 GLU A 92 10.149 -2.614 8.254 1.00 1.34 H new ATOM 0 HB3 GLU A 92 9.341 -3.890 7.365 1.00 1.34 H new ATOM 0 HG2 GLU A 92 8.246 -3.850 9.458 1.00 2.09 H new ATOM 0 HG3 GLU A 92 9.319 -5.232 9.561 1.00 2.09 H new ATOM 1438 N THR A 93 10.886 -6.196 6.360 1.00 1.25 N ATOM 1439 CA THR A 93 10.755 -7.573 5.844 1.00 1.33 C ATOM 1440 C THR A 93 12.022 -8.408 6.036 1.00 1.33 C ATOM 1441 O THR A 93 11.922 -9.593 6.332 1.00 1.48 O ATOM 1442 CB THR A 93 10.344 -7.546 4.358 1.00 1.34 C ATOM 1443 OG1 THR A 93 9.034 -7.028 4.246 1.00 1.90 O ATOM 1444 CG2 THR A 93 10.326 -8.912 3.669 1.00 1.42 C ATOM 0 H THR A 93 10.711 -5.490 5.645 1.00 1.25 H new ATOM 0 HA THR A 93 9.974 -8.058 6.430 1.00 1.33 H new ATOM 0 HB THR A 93 11.101 -6.933 3.869 1.00 1.34 H new ATOM 0 HG1 THR A 93 9.071 -6.123 3.872 1.00 1.90 H new ATOM 0 HG21 THR A 93 10.025 -8.791 2.628 1.00 1.42 H new ATOM 0 HG22 THR A 93 11.322 -9.353 3.710 1.00 1.42 H new ATOM 0 HG23 THR A 93 9.618 -9.567 4.177 1.00 1.42 H new ATOM 1452 N ALA A 94 13.215 -7.813 5.929 1.00 1.29 N ATOM 1453 CA ALA A 94 14.476 -8.554 6.046 1.00 1.39 C ATOM 1454 C ALA A 94 14.785 -9.046 7.475 1.00 1.62 C ATOM 1455 O ALA A 94 15.455 -10.073 7.637 1.00 1.85 O ATOM 1456 CB ALA A 94 15.596 -7.666 5.505 1.00 1.43 C ATOM 0 H ALA A 94 13.334 -6.814 5.761 1.00 1.29 H new ATOM 0 HA ALA A 94 14.388 -9.468 5.459 1.00 1.39 H new ATOM 0 HB1 ALA A 94 16.547 -8.193 5.580 1.00 1.43 H new ATOM 0 HB2 ALA A 94 15.397 -7.424 4.461 1.00 1.43 H new ATOM 0 HB3 ALA A 94 15.644 -6.746 6.087 1.00 1.43 H new