USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 696 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 102 THR OG1 : rot 180:sc= -0.221 USER MOD Set 1.2: B 69 MET CE :methyl -142:sc= -6.74! (180deg=-7.35!) USER MOD Set 2.1: A 100 THR OG1 : rot -85:sc= 0.0582 USER MOD Set 2.2: B 100 THR OG1 : rot 146:sc= -1.41! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 178:sc= -7.02! (180deg=-7.25!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 36:sc= 0.0665 USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= -0.0194 (180deg=-0.248) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0157 (180deg=-0.232) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 77:sc= 1.34 USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 89 THR OG1 : rot 25:sc= 0.0262 USER MOD Single : B 92 LYS NZ :NH3+ -167:sc= -0.0296 (180deg=-0.24) USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ -167:sc= -0.0365 (180deg=-0.285) USER MOD Single : B 102 THR OG1 : rot 87:sc= 0.0131 USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 61 8.349 -8.522 13.183 1.00 0.00 N ATOM 2 CA ALA A 61 8.016 -9.616 12.235 1.00 0.00 C ATOM 3 C ALA A 61 8.826 -9.514 10.961 1.00 0.00 C ATOM 4 O ALA A 61 9.271 -8.433 10.575 1.00 0.00 O ATOM 5 CB ALA A 61 6.547 -9.597 11.869 1.00 0.00 C ATOM 0 HA ALA A 61 8.257 -10.549 12.744 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.335 -10.409 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.946 -9.723 12.770 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.301 -8.644 11.400 1.00 0.00 H new ATOM 13 N SER A 62 8.985 -10.646 10.294 1.00 0.00 N ATOM 14 CA SER A 62 9.707 -10.687 9.043 1.00 0.00 C ATOM 15 C SER A 62 8.987 -9.865 8.002 1.00 0.00 C ATOM 16 O SER A 62 7.759 -9.812 7.967 1.00 0.00 O ATOM 17 CB SER A 62 9.856 -12.115 8.560 1.00 0.00 C ATOM 18 OG SER A 62 8.595 -12.739 8.393 1.00 0.00 O ATOM 0 H SER A 62 8.621 -11.547 10.603 1.00 0.00 H new ATOM 0 HA SER A 62 10.701 -10.269 9.205 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.397 -12.126 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.452 -12.682 9.275 1.00 0.00 H new ATOM 0 HG SER A 62 8.724 -13.658 8.079 1.00 0.00 H new ATOM 24 N ASP A 63 9.765 -9.224 7.166 1.00 0.00 N ATOM 25 CA ASP A 63 9.224 -8.385 6.116 1.00 0.00 C ATOM 26 C ASP A 63 8.529 -9.223 5.050 1.00 0.00 C ATOM 27 O ASP A 63 7.535 -8.793 4.465 1.00 0.00 O ATOM 28 CB ASP A 63 10.337 -7.540 5.500 1.00 0.00 C ATOM 29 CG ASP A 63 10.952 -6.578 6.497 1.00 0.00 C ATOM 30 OD1 ASP A 63 11.448 -7.044 7.544 1.00 0.00 O ATOM 31 OD2 ASP A 63 10.943 -5.359 6.229 1.00 0.00 O ATOM 0 H ASP A 63 10.784 -9.265 7.190 1.00 0.00 H new ATOM 0 HA ASP A 63 8.478 -7.721 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.113 -8.197 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.938 -6.978 4.656 1.00 0.00 H new ATOM 36 N ASP A 64 9.056 -10.416 4.798 1.00 0.00 N ATOM 37 CA ASP A 64 8.492 -11.305 3.807 1.00 0.00 C ATOM 38 C ASP A 64 7.065 -11.676 4.150 1.00 0.00 C ATOM 39 O ASP A 64 6.233 -11.829 3.262 1.00 0.00 O ATOM 40 CB ASP A 64 9.344 -12.563 3.695 1.00 0.00 C ATOM 41 CG ASP A 64 10.823 -12.259 3.540 1.00 0.00 C ATOM 42 OD1 ASP A 64 11.402 -11.638 4.456 1.00 0.00 O ATOM 43 OD2 ASP A 64 11.402 -12.644 2.503 1.00 0.00 O ATOM 0 H ASP A 64 9.879 -10.786 5.274 1.00 0.00 H new ATOM 0 HA ASP A 64 8.484 -10.784 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.195 -13.178 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.007 -13.150 2.841 1.00 0.00 H new ATOM 48 N GLU A 65 6.780 -11.828 5.433 1.00 0.00 N ATOM 49 CA GLU A 65 5.447 -12.183 5.858 1.00 0.00 C ATOM 50 C GLU A 65 4.439 -11.166 5.332 1.00 0.00 C ATOM 51 O GLU A 65 3.327 -11.518 4.935 1.00 0.00 O ATOM 52 CB GLU A 65 5.371 -12.277 7.384 1.00 0.00 C ATOM 53 CG GLU A 65 3.988 -12.624 7.907 1.00 0.00 C ATOM 54 CD GLU A 65 3.944 -12.723 9.419 1.00 0.00 C ATOM 55 OE1 GLU A 65 4.304 -11.733 10.089 1.00 0.00 O ATOM 56 OE2 GLU A 65 3.545 -13.788 9.934 1.00 0.00 O ATOM 0 H GLU A 65 7.453 -11.711 6.190 1.00 0.00 H new ATOM 0 HA GLU A 65 5.202 -13.162 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.079 -13.030 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.684 -11.325 7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.278 -11.867 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.668 -13.572 7.475 1.00 0.00 H new ATOM 63 N LEU A 66 4.855 -9.906 5.322 1.00 0.00 N ATOM 64 CA LEU A 66 4.025 -8.815 4.834 1.00 0.00 C ATOM 65 C LEU A 66 4.053 -8.771 3.316 1.00 0.00 C ATOM 66 O LEU A 66 3.040 -8.535 2.665 1.00 0.00 O ATOM 67 CB LEU A 66 4.531 -7.479 5.376 1.00 0.00 C ATOM 68 CG LEU A 66 4.390 -7.274 6.893 1.00 0.00 C ATOM 69 CD1 LEU A 66 2.929 -7.360 7.311 1.00 0.00 C ATOM 70 CD2 LEU A 66 5.225 -8.285 7.663 1.00 0.00 C ATOM 0 H LEU A 66 5.775 -9.613 5.651 1.00 0.00 H new ATOM 0 HA LEU A 66 3.005 -8.985 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.583 -7.376 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.995 -6.677 4.869 1.00 0.00 H new ATOM 0 HG LEU A 66 4.762 -6.278 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.849 -7.212 8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.357 -6.588 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.533 -8.341 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.106 -8.116 8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.894 -9.294 7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.275 -8.171 7.393 1.00 0.00 H new ATOM 82 N PHE A 67 5.233 -8.989 2.764 1.00 0.00 N ATOM 83 CA PHE A 67 5.421 -8.969 1.328 1.00 0.00 C ATOM 84 C PHE A 67 4.767 -10.180 0.679 1.00 0.00 C ATOM 85 O PHE A 67 4.487 -10.182 -0.520 1.00 0.00 O ATOM 86 CB PHE A 67 6.910 -8.937 1.017 1.00 0.00 C ATOM 87 CG PHE A 67 7.607 -7.717 1.534 1.00 0.00 C ATOM 88 CD1 PHE A 67 6.957 -6.497 1.611 1.00 0.00 C ATOM 89 CD2 PHE A 67 8.926 -7.797 1.932 1.00 0.00 C ATOM 90 CE1 PHE A 67 7.621 -5.379 2.084 1.00 0.00 C ATOM 91 CE2 PHE A 67 9.596 -6.690 2.396 1.00 0.00 C ATOM 92 CZ PHE A 67 8.949 -5.478 2.477 1.00 0.00 C ATOM 0 H PHE A 67 6.081 -9.183 3.296 1.00 0.00 H new ATOM 0 HA PHE A 67 4.947 -8.076 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.381 -9.822 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.048 -8.993 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.926 -6.417 1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.440 -8.745 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.107 -4.431 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.630 -6.771 2.697 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.472 -4.608 2.845 1.00 0.00 H new ATOM 102 N SER A 68 4.536 -11.210 1.479 1.00 0.00 N ATOM 103 CA SER A 68 3.926 -12.438 0.991 1.00 0.00 C ATOM 104 C SER A 68 2.486 -12.198 0.558 1.00 0.00 C ATOM 105 O SER A 68 2.106 -12.523 -0.562 1.00 0.00 O ATOM 106 CB SER A 68 3.981 -13.508 2.071 1.00 0.00 C ATOM 107 OG SER A 68 3.435 -14.732 1.616 1.00 0.00 O ATOM 0 H SER A 68 4.763 -11.220 2.473 1.00 0.00 H new ATOM 0 HA SER A 68 4.487 -12.779 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.015 -13.662 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.433 -13.168 2.950 1.00 0.00 H new ATOM 0 HG SER A 68 3.486 -15.399 2.332 1.00 0.00 H new ATOM 113 N MET A 69 1.690 -11.610 1.440 1.00 0.00 N ATOM 114 CA MET A 69 0.312 -11.311 1.111 1.00 0.00 C ATOM 115 C MET A 69 0.281 -10.443 -0.140 1.00 0.00 C ATOM 116 O MET A 69 -0.580 -10.605 -1.006 1.00 0.00 O ATOM 117 CB MET A 69 -0.374 -10.599 2.270 1.00 0.00 C ATOM 118 CG MET A 69 0.495 -9.528 2.879 1.00 0.00 C ATOM 119 SD MET A 69 -0.437 -8.263 3.746 1.00 0.00 S ATOM 120 CE MET A 69 0.878 -7.094 4.053 1.00 0.00 C ATOM 0 H MET A 69 1.975 -11.334 2.380 1.00 0.00 H new ATOM 0 HA MET A 69 -0.226 -12.240 0.925 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.305 -10.153 1.920 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.639 -11.328 3.036 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.197 -9.991 3.572 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.086 -9.059 2.092 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.474 -6.217 4.558 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.637 -7.558 4.683 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.326 -6.793 3.106 1.00 0.00 H new ATOM 130 N LEU A 70 1.258 -9.538 -0.238 1.00 0.00 N ATOM 131 CA LEU A 70 1.384 -8.661 -1.389 1.00 0.00 C ATOM 132 C LEU A 70 1.709 -9.494 -2.609 1.00 0.00 C ATOM 133 O LEU A 70 1.293 -9.192 -3.719 1.00 0.00 O ATOM 134 CB LEU A 70 2.482 -7.630 -1.127 1.00 0.00 C ATOM 135 CG LEU A 70 2.279 -6.841 0.148 1.00 0.00 C ATOM 136 CD1 LEU A 70 3.485 -5.975 0.444 1.00 0.00 C ATOM 137 CD2 LEU A 70 1.028 -6.006 0.013 1.00 0.00 C ATOM 0 H LEU A 70 1.974 -9.398 0.475 1.00 0.00 H new ATOM 0 HA LEU A 70 0.448 -8.130 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.444 -8.140 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.529 -6.939 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 70 2.163 -7.528 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.315 -5.417 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.367 -6.606 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.643 -5.277 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.873 -5.433 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.136 -5.323 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.172 -6.659 -0.156 1.00 0.00 H new ATOM 149 N ASP A 71 2.447 -10.562 -2.372 1.00 0.00 N ATOM 150 CA ASP A 71 2.838 -11.485 -3.421 1.00 0.00 C ATOM 151 C ASP A 71 1.614 -12.099 -4.078 1.00 0.00 C ATOM 152 O ASP A 71 1.575 -12.291 -5.294 1.00 0.00 O ATOM 153 CB ASP A 71 3.706 -12.592 -2.824 1.00 0.00 C ATOM 154 CG ASP A 71 4.225 -13.560 -3.870 1.00 0.00 C ATOM 155 OD1 ASP A 71 4.941 -13.112 -4.789 1.00 0.00 O ATOM 156 OD2 ASP A 71 3.913 -14.765 -3.769 1.00 0.00 O ATOM 0 H ASP A 71 2.793 -10.814 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 71 3.401 -10.938 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.550 -12.143 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.127 -13.142 -2.082 1.00 0.00 H new ATOM 161 N GLN A 72 0.622 -12.419 -3.262 1.00 0.00 N ATOM 162 CA GLN A 72 -0.598 -13.029 -3.755 1.00 0.00 C ATOM 163 C GLN A 72 -1.526 -12.009 -4.395 1.00 0.00 C ATOM 164 O GLN A 72 -2.179 -12.288 -5.401 1.00 0.00 O ATOM 165 CB GLN A 72 -1.320 -13.765 -2.627 1.00 0.00 C ATOM 166 CG GLN A 72 -0.572 -14.983 -2.113 1.00 0.00 C ATOM 167 CD GLN A 72 -1.323 -15.702 -1.010 1.00 0.00 C ATOM 168 OE1 GLN A 72 -2.437 -16.184 -1.214 1.00 0.00 O ATOM 169 NE2 GLN A 72 -0.716 -15.775 0.169 1.00 0.00 N ATOM 0 H GLN A 72 0.640 -12.265 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.314 -13.745 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.482 -13.074 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.303 -14.076 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.397 -15.673 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.406 -14.675 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.208 -15.361 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.174 -16.245 0.950 1.00 0.00 H new ATOM 178 N ARG A 73 -1.575 -10.830 -3.807 1.00 0.00 N ATOM 179 CA ARG A 73 -2.420 -9.757 -4.312 1.00 0.00 C ATOM 180 C ARG A 73 -1.859 -9.210 -5.615 1.00 0.00 C ATOM 181 O ARG A 73 -2.587 -8.979 -6.581 1.00 0.00 O ATOM 182 CB ARG A 73 -2.514 -8.650 -3.271 1.00 0.00 C ATOM 183 CG ARG A 73 -3.259 -9.070 -2.014 1.00 0.00 C ATOM 184 CD ARG A 73 -3.377 -7.926 -1.021 1.00 0.00 C ATOM 185 NE ARG A 73 -4.110 -8.317 0.180 1.00 0.00 N ATOM 186 CZ ARG A 73 -5.384 -8.706 0.179 1.00 0.00 C ATOM 187 NH1 ARG A 73 -6.073 -8.737 -0.955 1.00 0.00 N ATOM 188 NH2 ARG A 73 -5.971 -9.060 1.313 1.00 0.00 N ATOM 0 H ARG A 73 -1.038 -10.587 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.418 -10.150 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.508 -8.330 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.015 -7.788 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.255 -9.423 -2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.740 -9.906 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.380 -7.584 -0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.882 -7.085 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.617 -8.291 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.627 -8.462 -1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.048 -9.036 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.447 -9.035 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.947 -9.358 1.311 1.00 0.00 H new ATOM 202 N PHE A 74 -0.551 -9.024 -5.624 1.00 0.00 N ATOM 203 CA PHE A 74 0.163 -8.523 -6.787 1.00 0.00 C ATOM 204 C PHE A 74 0.209 -9.591 -7.872 1.00 0.00 C ATOM 205 O PHE A 74 0.458 -9.297 -9.042 1.00 0.00 O ATOM 206 CB PHE A 74 1.590 -8.142 -6.390 1.00 0.00 C ATOM 207 CG PHE A 74 1.706 -6.960 -5.460 1.00 0.00 C ATOM 208 CD1 PHE A 74 0.586 -6.345 -4.898 1.00 0.00 C ATOM 209 CD2 PHE A 74 2.960 -6.476 -5.130 1.00 0.00 C ATOM 210 CE1 PHE A 74 0.733 -5.275 -4.038 1.00 0.00 C ATOM 211 CE2 PHE A 74 3.103 -5.408 -4.274 1.00 0.00 C ATOM 212 CZ PHE A 74 1.990 -4.808 -3.731 1.00 0.00 C ATOM 0 H PHE A 74 0.049 -9.217 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.357 -7.645 -7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.060 -9.004 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.157 -7.928 -7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.402 -6.709 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.839 -6.943 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.138 -4.805 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.089 -5.041 -4.028 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.104 -3.968 -3.062 1.00 0.00 H new ATOM 393 N THR A 89 17.572 -5.416 0.310 1.00 0.00 N ATOM 394 CA THR A 89 16.362 -4.973 0.976 1.00 0.00 C ATOM 395 C THR A 89 15.612 -3.974 0.103 1.00 0.00 C ATOM 396 O THR A 89 14.409 -4.104 -0.110 1.00 0.00 O ATOM 397 CB THR A 89 16.669 -4.327 2.336 1.00 0.00 C ATOM 398 OG1 THR A 89 17.352 -5.261 3.182 1.00 0.00 O ATOM 399 CG2 THR A 89 15.385 -3.873 3.006 1.00 0.00 C ATOM 0 HA THR A 89 15.742 -5.854 1.144 1.00 0.00 H new ATOM 0 HB THR A 89 17.308 -3.459 2.171 1.00 0.00 H new ATOM 0 HG1 THR A 89 17.953 -5.814 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.618 -3.417 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.882 -3.143 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.732 -4.732 3.160 1.00 0.00 H new ATOM 407 N GLU A 90 16.342 -2.991 -0.415 1.00 0.00 N ATOM 408 CA GLU A 90 15.765 -1.974 -1.289 1.00 0.00 C ATOM 409 C GLU A 90 14.991 -2.613 -2.429 1.00 0.00 C ATOM 410 O GLU A 90 13.856 -2.246 -2.693 1.00 0.00 O ATOM 411 CB GLU A 90 16.879 -1.110 -1.870 1.00 0.00 C ATOM 412 CG GLU A 90 17.403 -0.053 -0.915 1.00 0.00 C ATOM 413 CD GLU A 90 18.607 0.685 -1.468 1.00 0.00 C ATOM 414 OE1 GLU A 90 18.487 1.285 -2.556 1.00 0.00 O ATOM 415 OE2 GLU A 90 19.670 0.663 -0.812 1.00 0.00 O ATOM 0 H GLU A 90 17.341 -2.877 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 90 15.082 -1.364 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.705 -1.754 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.512 -0.620 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.610 0.663 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.672 -0.524 0.030 1.00 0.00 H new ATOM 422 N GLU A 91 15.629 -3.560 -3.107 1.00 0.00 N ATOM 423 CA GLU A 91 15.010 -4.253 -4.236 1.00 0.00 C ATOM 424 C GLU A 91 13.585 -4.680 -3.912 1.00 0.00 C ATOM 425 O GLU A 91 12.649 -4.385 -4.657 1.00 0.00 O ATOM 426 CB GLU A 91 15.847 -5.471 -4.637 1.00 0.00 C ATOM 427 CG GLU A 91 15.303 -6.214 -5.847 1.00 0.00 C ATOM 428 CD GLU A 91 15.286 -5.356 -7.098 1.00 0.00 C ATOM 429 OE1 GLU A 91 16.374 -4.938 -7.546 1.00 0.00 O ATOM 430 OE2 GLU A 91 14.186 -5.100 -7.628 1.00 0.00 O ATOM 0 H GLU A 91 16.578 -3.868 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 91 14.971 -3.556 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.866 -5.147 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.900 -6.159 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.910 -7.101 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.291 -6.558 -5.633 1.00 0.00 H new ATOM 437 N LYS A 92 13.428 -5.349 -2.785 1.00 0.00 N ATOM 438 CA LYS A 92 12.116 -5.797 -2.330 1.00 0.00 C ATOM 439 C LYS A 92 11.271 -4.572 -2.029 1.00 0.00 C ATOM 440 O LYS A 92 10.177 -4.387 -2.559 1.00 0.00 O ATOM 441 CB LYS A 92 12.275 -6.647 -1.062 1.00 0.00 C ATOM 442 CG LYS A 92 11.059 -7.465 -0.668 1.00 0.00 C ATOM 443 CD LYS A 92 11.444 -8.574 0.300 1.00 0.00 C ATOM 444 CE LYS A 92 12.411 -9.565 -0.333 1.00 0.00 C ATOM 445 NZ LYS A 92 11.829 -10.219 -1.536 1.00 0.00 N ATOM 0 H LYS A 92 14.196 -5.598 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 92 11.635 -6.401 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.117 -7.325 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.532 -5.987 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.313 -6.817 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.601 -7.896 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.900 -8.139 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.547 -9.099 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.330 -9.049 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.681 -10.326 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.416 -11.034 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.864 -10.543 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.799 -9.538 -2.321 1.00 0.00 H new ATOM 459 N LEU A 93 11.826 -3.727 -1.181 1.00 0.00 N ATOM 460 CA LEU A 93 11.199 -2.487 -0.773 1.00 0.00 C ATOM 461 C LEU A 93 10.841 -1.606 -1.967 1.00 0.00 C ATOM 462 O LEU A 93 9.992 -0.726 -1.865 1.00 0.00 O ATOM 463 CB LEU A 93 12.158 -1.744 0.143 1.00 0.00 C ATOM 464 CG LEU A 93 12.506 -2.469 1.436 1.00 0.00 C ATOM 465 CD1 LEU A 93 13.262 -1.537 2.350 1.00 0.00 C ATOM 466 CD2 LEU A 93 11.259 -3.002 2.118 1.00 0.00 C ATOM 0 H LEU A 93 12.737 -3.886 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 93 10.269 -2.722 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.080 -1.547 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.722 -0.777 0.393 1.00 0.00 H new ATOM 0 HG LEU A 93 13.138 -3.325 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.511 -2.057 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.179 -1.211 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.643 -0.669 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.539 -3.515 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.590 -2.174 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.751 -3.701 1.453 1.00 0.00 H new ATOM 478 N ARG A 94 11.517 -1.826 -3.087 1.00 0.00 N ATOM 479 CA ARG A 94 11.292 -1.030 -4.288 1.00 0.00 C ATOM 480 C ARG A 94 9.988 -1.413 -4.983 1.00 0.00 C ATOM 481 O ARG A 94 9.205 -0.545 -5.364 1.00 0.00 O ATOM 482 CB ARG A 94 12.465 -1.196 -5.256 1.00 0.00 C ATOM 483 CG ARG A 94 12.344 -0.343 -6.510 1.00 0.00 C ATOM 484 CD ARG A 94 13.544 -0.522 -7.426 1.00 0.00 C ATOM 485 NE ARG A 94 13.436 0.291 -8.635 1.00 0.00 N ATOM 486 CZ ARG A 94 14.358 0.318 -9.592 1.00 0.00 C ATOM 487 NH1 ARG A 94 15.457 -0.418 -9.482 1.00 0.00 N ATOM 488 NH2 ARG A 94 14.184 1.083 -10.662 1.00 0.00 N ATOM 0 H ARG A 94 12.227 -2.551 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 94 11.215 0.014 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.390 -0.940 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.541 -2.244 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.433 -0.610 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.253 0.706 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.453 -0.253 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.636 -1.572 -7.702 1.00 0.00 H new ATOM 0 HE ARG A 94 12.605 0.871 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.596 -1.007 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.162 -0.395 -10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.342 1.651 -10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.892 1.103 -11.396 1.00 0.00 H new ATOM 502 N ARG A 95 9.767 -2.712 -5.156 1.00 0.00 N ATOM 503 CA ARG A 95 8.562 -3.199 -5.822 1.00 0.00 C ATOM 504 C ARG A 95 7.354 -3.203 -4.885 1.00 0.00 C ATOM 505 O ARG A 95 6.337 -2.581 -5.175 1.00 0.00 O ATOM 506 CB ARG A 95 8.807 -4.600 -6.396 1.00 0.00 C ATOM 507 CG ARG A 95 9.473 -5.556 -5.421 1.00 0.00 C ATOM 508 CD ARG A 95 9.754 -6.903 -6.070 1.00 0.00 C ATOM 509 NE ARG A 95 10.661 -6.786 -7.209 1.00 0.00 N ATOM 510 CZ ARG A 95 11.054 -7.818 -7.950 1.00 0.00 C ATOM 511 NH1 ARG A 95 10.615 -9.039 -7.677 1.00 0.00 N ATOM 512 NH2 ARG A 95 11.885 -7.629 -8.966 1.00 0.00 N ATOM 0 H ARG A 95 10.404 -3.446 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 95 8.333 -2.514 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.854 -5.024 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.429 -4.513 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.406 -5.121 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.832 -5.696 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.186 -7.578 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.815 -7.349 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 95 11.013 -5.860 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.975 -9.188 -6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.918 -9.829 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.224 -6.691 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.185 -8.422 -9.533 1.00 0.00 H new ATOM 526 N TYR A 96 7.475 -3.903 -3.765 1.00 0.00 N ATOM 527 CA TYR A 96 6.411 -3.999 -2.784 1.00 0.00 C ATOM 528 C TYR A 96 5.895 -2.627 -2.368 1.00 0.00 C ATOM 529 O TYR A 96 4.691 -2.429 -2.260 1.00 0.00 O ATOM 530 CB TYR A 96 6.931 -4.792 -1.592 1.00 0.00 C ATOM 531 CG TYR A 96 7.196 -6.233 -1.954 1.00 0.00 C ATOM 532 CD1 TYR A 96 6.203 -7.196 -1.838 1.00 0.00 C ATOM 533 CD2 TYR A 96 8.432 -6.624 -2.435 1.00 0.00 C ATOM 534 CE1 TYR A 96 6.441 -8.510 -2.192 1.00 0.00 C ATOM 535 CE2 TYR A 96 8.684 -7.930 -2.786 1.00 0.00 C ATOM 536 CZ TYR A 96 7.686 -8.874 -2.665 1.00 0.00 C ATOM 537 OH TYR A 96 7.930 -10.180 -3.020 1.00 0.00 O ATOM 0 H TYR A 96 8.317 -4.420 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 96 5.558 -4.516 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.849 -4.335 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.204 -4.748 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.229 -6.914 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.216 -5.888 -2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.658 -9.248 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.658 -8.215 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 96 8.854 -10.267 -3.333 1.00 0.00 H new ATOM 547 N LEU A 97 6.793 -1.676 -2.144 1.00 0.00 N ATOM 548 CA LEU A 97 6.368 -0.341 -1.752 1.00 0.00 C ATOM 549 C LEU A 97 5.744 0.413 -2.919 1.00 0.00 C ATOM 550 O LEU A 97 4.581 0.807 -2.853 1.00 0.00 O ATOM 551 CB LEU A 97 7.535 0.456 -1.183 1.00 0.00 C ATOM 552 CG LEU A 97 7.211 1.911 -0.851 1.00 0.00 C ATOM 553 CD1 LEU A 97 5.853 2.016 -0.178 1.00 0.00 C ATOM 554 CD2 LEU A 97 8.298 2.506 0.021 1.00 0.00 C ATOM 0 H LEU A 97 7.802 -1.801 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 97 5.610 -0.459 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.889 -0.039 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.356 0.435 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 97 7.170 2.480 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.640 3.060 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.085 1.627 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.859 1.436 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.054 3.543 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.372 1.938 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.251 2.465 -0.507 1.00 0.00 H new ATOM 566 N LYS A 98 6.516 0.611 -3.986 1.00 0.00 N ATOM 567 CA LYS A 98 6.020 1.320 -5.162 1.00 0.00 C ATOM 568 C LYS A 98 4.638 0.804 -5.537 1.00 0.00 C ATOM 569 O LYS A 98 3.767 1.562 -5.964 1.00 0.00 O ATOM 570 CB LYS A 98 6.984 1.145 -6.338 1.00 0.00 C ATOM 571 CG LYS A 98 6.552 1.874 -7.600 1.00 0.00 C ATOM 572 CD LYS A 98 7.545 1.665 -8.732 1.00 0.00 C ATOM 573 CE LYS A 98 7.122 2.403 -9.992 1.00 0.00 C ATOM 574 NZ LYS A 98 5.796 1.941 -10.489 1.00 0.00 N ATOM 0 H LYS A 98 7.482 0.292 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 98 5.950 2.382 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.971 1.502 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.083 0.082 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.568 1.519 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.456 2.939 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.531 2.011 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.634 0.600 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.081 3.473 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.872 2.255 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.643 2.299 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.772 0.901 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.047 2.300 -9.863 1.00 0.00 H new ATOM 588 N ARG A 99 4.456 -0.498 -5.367 1.00 0.00 N ATOM 589 CA ARG A 99 3.197 -1.150 -5.673 1.00 0.00 C ATOM 590 C ARG A 99 2.132 -0.878 -4.630 1.00 0.00 C ATOM 591 O ARG A 99 1.108 -0.279 -4.938 1.00 0.00 O ATOM 592 CB ARG A 99 3.426 -2.652 -5.821 1.00 0.00 C ATOM 593 CG ARG A 99 4.247 -3.031 -7.044 1.00 0.00 C ATOM 594 CD ARG A 99 3.630 -2.493 -8.323 1.00 0.00 C ATOM 595 NE ARG A 99 4.345 -2.954 -9.512 1.00 0.00 N ATOM 596 CZ ARG A 99 3.994 -2.635 -10.755 1.00 0.00 C ATOM 597 NH1 ARG A 99 2.939 -1.861 -10.973 1.00 0.00 N ATOM 598 NH2 ARG A 99 4.700 -3.090 -11.781 1.00 0.00 N ATOM 0 H ARG A 99 5.177 -1.128 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 99 2.828 -0.735 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.929 -3.023 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.460 -3.154 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.260 -2.643 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.327 -4.116 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.588 -2.806 -8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.634 -1.403 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 99 5.159 -3.554 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.394 -1.508 -10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.673 -1.618 -11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.512 -3.685 -11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.431 -2.845 -12.734 1.00 0.00 H new ATOM 612 N THR A 100 2.358 -1.337 -3.411 1.00 0.00 N ATOM 613 CA THR A 100 1.382 -1.165 -2.348 1.00 0.00 C ATOM 614 C THR A 100 0.884 0.265 -2.210 1.00 0.00 C ATOM 615 O THR A 100 -0.206 0.491 -1.699 1.00 0.00 O ATOM 616 CB THR A 100 1.906 -1.627 -0.993 1.00 0.00 C ATOM 617 OG1 THR A 100 3.036 -0.838 -0.608 1.00 0.00 O ATOM 618 CG2 THR A 100 2.296 -3.089 -1.017 1.00 0.00 C ATOM 0 H THR A 100 3.206 -1.830 -3.133 1.00 0.00 H new ATOM 0 HA THR A 100 0.546 -1.796 -2.650 1.00 0.00 H new ATOM 0 HB THR A 100 1.103 -1.500 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.849 -1.214 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.665 -3.383 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.426 -3.693 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.078 -3.245 -1.760 1.00 0.00 H new ATOM 626 N VAL A 101 1.671 1.224 -2.655 1.00 0.00 N ATOM 627 CA VAL A 101 1.281 2.618 -2.569 1.00 0.00 C ATOM 628 C VAL A 101 0.112 2.901 -3.482 1.00 0.00 C ATOM 629 O VAL A 101 -0.894 3.474 -3.071 1.00 0.00 O ATOM 630 CB VAL A 101 2.454 3.503 -2.966 1.00 0.00 C ATOM 631 CG1 VAL A 101 2.027 4.942 -3.165 1.00 0.00 C ATOM 632 CG2 VAL A 101 3.537 3.386 -1.926 1.00 0.00 C ATOM 0 H VAL A 101 2.584 1.064 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 101 0.986 2.832 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 101 2.844 3.162 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.892 5.542 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.276 4.993 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.605 5.328 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.380 4.018 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.149 3.706 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.867 2.349 -1.860 1.00 0.00 H new ATOM 642 N THR A 102 0.245 2.470 -4.719 1.00 0.00 N ATOM 643 CA THR A 102 -0.805 2.642 -5.689 1.00 0.00 C ATOM 644 C THR A 102 -1.885 1.603 -5.419 1.00 0.00 C ATOM 645 O THR A 102 -3.071 1.845 -5.628 1.00 0.00 O ATOM 646 CB THR A 102 -0.251 2.478 -7.107 1.00 0.00 C ATOM 647 OG1 THR A 102 0.594 3.586 -7.437 1.00 0.00 O ATOM 648 CG2 THR A 102 -1.366 2.353 -8.129 1.00 0.00 C ATOM 0 H THR A 102 1.076 1.996 -5.073 1.00 0.00 H new ATOM 0 HA THR A 102 -1.226 3.644 -5.606 1.00 0.00 H new ATOM 0 HB THR A 102 0.333 1.558 -7.133 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.945 3.471 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.936 2.238 -9.124 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.978 1.482 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.986 3.249 -8.103 1.00 0.00 H new ATOM 656 N GLU A 103 -1.443 0.451 -4.913 1.00 0.00 N ATOM 657 CA GLU A 103 -2.313 -0.635 -4.557 1.00 0.00 C ATOM 658 C GLU A 103 -3.261 -0.164 -3.475 1.00 0.00 C ATOM 659 O GLU A 103 -4.464 -0.424 -3.514 1.00 0.00 O ATOM 660 CB GLU A 103 -1.464 -1.798 -4.045 1.00 0.00 C ATOM 661 CG GLU A 103 -0.624 -2.468 -5.112 1.00 0.00 C ATOM 662 CD GLU A 103 -1.458 -3.225 -6.128 1.00 0.00 C ATOM 663 OE1 GLU A 103 -2.222 -4.122 -5.718 1.00 0.00 O ATOM 664 OE2 GLU A 103 -1.346 -2.920 -7.333 1.00 0.00 O ATOM 0 H GLU A 103 -0.456 0.258 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.889 -0.965 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.806 -1.434 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.121 -2.542 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.029 -1.713 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.076 -3.156 -4.638 1.00 0.00 H new ATOM 671 N LEU A 104 -2.694 0.560 -2.516 1.00 0.00 N ATOM 672 CA LEU A 104 -3.465 1.113 -1.420 1.00 0.00 C ATOM 673 C LEU A 104 -4.224 2.320 -1.932 1.00 0.00 C ATOM 674 O LEU A 104 -5.358 2.574 -1.537 1.00 0.00 O ATOM 675 CB LEU A 104 -2.543 1.465 -0.236 1.00 0.00 C ATOM 676 CG LEU A 104 -1.660 2.704 -0.374 1.00 0.00 C ATOM 677 CD1 LEU A 104 -2.454 3.974 -0.153 1.00 0.00 C ATOM 678 CD2 LEU A 104 -0.526 2.630 0.622 1.00 0.00 C ATOM 0 H LEU A 104 -1.698 0.776 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.181 0.380 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.166 1.593 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.895 0.609 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.261 2.728 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.797 4.837 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.254 4.036 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.883 3.965 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.104 3.514 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.932 2.585 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.069 1.737 0.430 1.00 0.00 H new ATOM 690 N ASP A 105 -3.586 3.039 -2.850 1.00 0.00 N ATOM 691 CA ASP A 105 -4.181 4.209 -3.472 1.00 0.00 C ATOM 692 C ASP A 105 -5.315 3.783 -4.388 1.00 0.00 C ATOM 693 O ASP A 105 -6.127 4.599 -4.816 1.00 0.00 O ATOM 694 CB ASP A 105 -3.139 4.962 -4.296 1.00 0.00 C ATOM 695 CG ASP A 105 -3.654 6.297 -4.800 1.00 0.00 C ATOM 696 OD1 ASP A 105 -4.759 6.704 -4.386 1.00 0.00 O ATOM 697 OD2 ASP A 105 -2.949 6.940 -5.602 1.00 0.00 O ATOM 0 H ASP A 105 -2.645 2.825 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.561 4.861 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.248 5.125 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.838 4.348 -5.145 1.00 0.00 H new ATOM 702 N SER A 106 -5.341 2.493 -4.700 1.00 0.00 N ATOM 703 CA SER A 106 -6.350 1.932 -5.583 1.00 0.00 C ATOM 704 C SER A 106 -7.570 1.491 -4.800 1.00 0.00 C ATOM 705 O SER A 106 -8.664 2.013 -4.987 1.00 0.00 O ATOM 706 CB SER A 106 -5.769 0.748 -6.359 1.00 0.00 C ATOM 707 OG SER A 106 -6.741 0.165 -7.210 1.00 0.00 O ATOM 0 H SER A 106 -4.667 1.812 -4.350 1.00 0.00 H new ATOM 0 HA SER A 106 -6.656 2.706 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.917 1.081 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.398 -0.001 -5.660 1.00 0.00 H new ATOM 0 HG SER A 106 -6.342 -0.588 -7.695 1.00 0.00 H new ATOM 713 N VAL A 107 -7.364 0.538 -3.909 1.00 0.00 N ATOM 714 CA VAL A 107 -8.435 0.031 -3.076 1.00 0.00 C ATOM 715 C VAL A 107 -9.108 1.174 -2.349 1.00 0.00 C ATOM 716 O VAL A 107 -10.333 1.242 -2.254 1.00 0.00 O ATOM 717 CB VAL A 107 -7.883 -0.981 -2.073 1.00 0.00 C ATOM 718 CG1 VAL A 107 -7.358 -2.187 -2.810 1.00 0.00 C ATOM 719 CG2 VAL A 107 -6.785 -0.349 -1.251 1.00 0.00 C ATOM 0 H VAL A 107 -6.458 0.098 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.171 -0.467 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.682 -1.295 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.964 -2.908 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.166 -2.645 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.563 -1.880 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.398 -1.078 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.980 -0.022 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.183 0.510 -0.711 1.00 0.00 H new ATOM 729 N THR A 108 -8.285 2.078 -1.861 1.00 0.00 N ATOM 730 CA THR A 108 -8.762 3.255 -1.158 1.00 0.00 C ATOM 731 C THR A 108 -9.601 4.101 -2.078 1.00 0.00 C ATOM 732 O THR A 108 -10.546 4.776 -1.667 1.00 0.00 O ATOM 733 CB THR A 108 -7.577 4.091 -0.652 1.00 0.00 C ATOM 734 OG1 THR A 108 -7.970 4.893 0.469 1.00 0.00 O ATOM 735 CG2 THR A 108 -7.036 4.988 -1.753 1.00 0.00 C ATOM 0 H THR A 108 -7.270 2.020 -1.939 1.00 0.00 H new ATOM 0 HA THR A 108 -9.363 2.928 -0.310 1.00 0.00 H new ATOM 0 HB THR A 108 -6.792 3.401 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.203 5.418 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.198 5.570 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.700 4.375 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.822 5.664 -2.091 1.00 0.00 H new ATOM 743 N ALA A 109 -9.208 4.069 -3.323 1.00 0.00 N ATOM 744 CA ALA A 109 -9.845 4.828 -4.358 1.00 0.00 C ATOM 745 C ALA A 109 -11.184 4.235 -4.777 1.00 0.00 C ATOM 746 O ALA A 109 -12.114 4.965 -5.115 1.00 0.00 O ATOM 747 CB ALA A 109 -8.889 4.898 -5.523 1.00 0.00 C ATOM 0 H ALA A 109 -8.423 3.505 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.073 5.827 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.343 5.471 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.966 5.384 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.667 3.890 -5.872 1.00 0.00 H new ATOM 753 N ARG A 110 -11.275 2.911 -4.784 1.00 0.00 N ATOM 754 CA ARG A 110 -12.493 2.243 -5.190 1.00 0.00 C ATOM 755 C ARG A 110 -13.495 2.108 -4.051 1.00 0.00 C ATOM 756 O ARG A 110 -14.702 2.100 -4.278 1.00 0.00 O ATOM 757 CB ARG A 110 -12.178 0.871 -5.788 1.00 0.00 C ATOM 758 CG ARG A 110 -11.615 0.934 -7.204 1.00 0.00 C ATOM 759 CD ARG A 110 -10.322 1.732 -7.274 1.00 0.00 C ATOM 760 NE ARG A 110 -9.811 1.818 -8.639 1.00 0.00 N ATOM 761 CZ ARG A 110 -8.699 2.468 -8.975 1.00 0.00 C ATOM 762 NH1 ARG A 110 -7.984 3.086 -8.046 1.00 0.00 N ATOM 763 NH2 ARG A 110 -8.305 2.499 -10.240 1.00 0.00 N ATOM 0 H ARG A 110 -10.518 2.284 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.958 2.869 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.462 0.360 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.087 0.270 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.435 -0.078 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.354 1.384 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.493 2.736 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.572 1.266 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.337 1.353 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.286 3.064 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.132 3.584 -8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.854 2.025 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.453 2.997 -10.497 1.00 0.00 H new ATOM 777 N LEU A 111 -12.986 1.989 -2.838 1.00 0.00 N ATOM 778 CA LEU A 111 -13.831 1.827 -1.653 1.00 0.00 C ATOM 779 C LEU A 111 -14.773 3.016 -1.471 1.00 0.00 C ATOM 780 O LEU A 111 -15.948 2.844 -1.163 1.00 0.00 O ATOM 781 CB LEU A 111 -12.952 1.655 -0.407 1.00 0.00 C ATOM 782 CG LEU A 111 -13.644 1.165 0.866 1.00 0.00 C ATOM 783 CD1 LEU A 111 -12.608 0.874 1.941 1.00 0.00 C ATOM 784 CD2 LEU A 111 -14.641 2.190 1.371 1.00 0.00 C ATOM 0 H LEU A 111 -11.985 2.001 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.443 0.936 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.153 0.955 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.481 2.613 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.186 0.249 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.109 0.526 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.922 0.104 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.049 1.783 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.119 1.817 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.123 3.123 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.399 2.367 0.608 1.00 0.00 H new ATOM 796 N ARG A 112 -14.239 4.216 -1.649 1.00 0.00 N ATOM 797 CA ARG A 112 -15.007 5.441 -1.489 1.00 0.00 C ATOM 798 C ARG A 112 -16.280 5.413 -2.322 1.00 0.00 C ATOM 799 O ARG A 112 -17.295 5.999 -1.943 1.00 0.00 O ATOM 800 CB ARG A 112 -14.164 6.658 -1.867 1.00 0.00 C ATOM 801 CG ARG A 112 -13.591 6.590 -3.271 1.00 0.00 C ATOM 802 CD ARG A 112 -12.928 7.900 -3.665 1.00 0.00 C ATOM 803 NE ARG A 112 -11.826 8.243 -2.771 1.00 0.00 N ATOM 804 CZ ARG A 112 -11.095 9.349 -2.889 1.00 0.00 C ATOM 805 NH1 ARG A 112 -11.354 10.219 -3.856 1.00 0.00 N ATOM 806 NH2 ARG A 112 -10.108 9.585 -2.037 1.00 0.00 N ATOM 0 H ARG A 112 -13.264 4.367 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 112 -15.289 5.515 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.776 7.555 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.345 6.758 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.863 5.780 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.386 6.356 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.557 7.826 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.668 8.700 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.604 7.598 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.115 10.041 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -10.792 11.066 -3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -9.908 8.919 -1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -9.548 10.433 -2.128 1.00 0.00 H new ATOM 820 N GLU A 113 -16.226 4.714 -3.445 1.00 0.00 N ATOM 821 CA GLU A 113 -17.364 4.587 -4.313 1.00 0.00 C ATOM 822 C GLU A 113 -18.192 3.417 -3.864 1.00 0.00 C ATOM 823 O GLU A 113 -19.417 3.412 -3.999 1.00 0.00 O ATOM 824 CB GLU A 113 -16.933 4.402 -5.761 1.00 0.00 C ATOM 825 CG GLU A 113 -18.108 4.139 -6.677 1.00 0.00 C ATOM 826 CD GLU A 113 -17.733 4.167 -8.146 1.00 0.00 C ATOM 827 OE1 GLU A 113 -16.541 4.385 -8.453 1.00 0.00 O ATOM 828 OE2 GLU A 113 -18.631 3.968 -8.992 1.00 0.00 O ATOM 0 H GLU A 113 -15.392 4.225 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.954 5.502 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -16.404 5.294 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.230 3.571 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.539 3.167 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -18.881 4.885 -6.491 1.00 0.00 H new ATOM 835 N VAL A 114 -17.515 2.423 -3.309 1.00 0.00 N ATOM 836 CA VAL A 114 -18.202 1.256 -2.823 1.00 0.00 C ATOM 837 C VAL A 114 -19.190 1.690 -1.753 1.00 0.00 C ATOM 838 O VAL A 114 -20.369 1.337 -1.798 1.00 0.00 O ATOM 839 CB VAL A 114 -17.242 0.197 -2.255 1.00 0.00 C ATOM 840 CG1 VAL A 114 -17.999 -1.075 -1.944 1.00 0.00 C ATOM 841 CG2 VAL A 114 -16.117 -0.092 -3.227 1.00 0.00 C ATOM 0 H VAL A 114 -16.502 2.408 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.717 0.790 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 114 -16.806 0.589 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -17.311 -1.819 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -18.776 -0.865 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -18.456 -1.459 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.453 -0.844 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -16.532 -0.463 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.556 0.823 -3.416 1.00 0.00 H new ATOM 851 N GLU A 115 -18.704 2.498 -0.811 1.00 0.00 N ATOM 852 CA GLU A 115 -19.546 3.025 0.242 1.00 0.00 C ATOM 853 C GLU A 115 -20.494 4.055 -0.329 1.00 0.00 C ATOM 854 O GLU A 115 -21.369 3.727 -1.130 1.00 0.00 O ATOM 855 CB GLU A 115 -18.754 3.643 1.378 1.00 0.00 C ATOM 856 CG GLU A 115 -17.404 4.173 0.968 1.00 0.00 C ATOM 857 CD GLU A 115 -16.730 4.968 2.071 1.00 0.00 C ATOM 858 OE1 GLU A 115 -17.278 6.020 2.460 1.00 0.00 O ATOM 859 OE2 GLU A 115 -15.661 4.540 2.549 1.00 0.00 O ATOM 0 H GLU A 115 -17.730 2.797 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 115 -20.100 2.183 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.335 4.456 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.617 2.896 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.762 3.340 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -17.518 4.805 0.087 1.00 0.00 H new ATOM 942 N ALA B 61 9.012 6.085 -13.549 1.00 0.00 N ATOM 943 CA ALA B 61 8.470 7.229 -12.771 1.00 0.00 C ATOM 944 C ALA B 61 9.185 7.369 -11.433 1.00 0.00 C ATOM 945 O ALA B 61 9.490 6.373 -10.775 1.00 0.00 O ATOM 946 CB ALA B 61 6.974 7.061 -12.554 1.00 0.00 C ATOM 0 HA ALA B 61 8.643 8.139 -13.345 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.592 7.907 -11.983 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.469 7.017 -13.519 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.787 6.138 -12.005 1.00 0.00 H new ATOM 954 N SER B 62 9.451 8.610 -11.038 1.00 0.00 N ATOM 955 CA SER B 62 10.130 8.882 -9.777 1.00 0.00 C ATOM 956 C SER B 62 9.361 8.284 -8.605 1.00 0.00 C ATOM 957 O SER B 62 8.138 8.404 -8.526 1.00 0.00 O ATOM 958 CB SER B 62 10.295 10.389 -9.575 1.00 0.00 C ATOM 959 OG SER B 62 9.037 11.040 -9.544 1.00 0.00 O ATOM 0 H SER B 62 9.206 9.443 -11.573 1.00 0.00 H new ATOM 0 HA SER B 62 11.115 8.418 -9.818 1.00 0.00 H new ATOM 0 HB2 SER B 62 10.829 10.578 -8.644 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.902 10.803 -10.380 1.00 0.00 H new ATOM 0 HG SER B 62 9.170 12.002 -9.412 1.00 0.00 H new ATOM 965 N ASP B 63 10.085 7.638 -7.697 1.00 0.00 N ATOM 966 CA ASP B 63 9.473 7.021 -6.527 1.00 0.00 C ATOM 967 C ASP B 63 8.748 8.062 -5.681 1.00 0.00 C ATOM 968 O ASP B 63 7.695 7.787 -5.109 1.00 0.00 O ATOM 969 CB ASP B 63 10.533 6.308 -5.685 1.00 0.00 C ATOM 970 CG ASP B 63 11.262 5.230 -6.463 1.00 0.00 C ATOM 971 OD1 ASP B 63 10.590 4.312 -6.976 1.00 0.00 O ATOM 972 OD2 ASP B 63 12.504 5.303 -6.556 1.00 0.00 O ATOM 0 H ASP B 63 11.098 7.528 -7.750 1.00 0.00 H new ATOM 0 HA ASP B 63 8.744 6.289 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP B 63 11.254 7.039 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.059 5.863 -4.810 1.00 0.00 H new ATOM 977 N ASP B 64 9.326 9.258 -5.607 1.00 0.00 N ATOM 978 CA ASP B 64 8.742 10.346 -4.829 1.00 0.00 C ATOM 979 C ASP B 64 7.309 10.633 -5.268 1.00 0.00 C ATOM 980 O ASP B 64 6.454 10.948 -4.444 1.00 0.00 O ATOM 981 CB ASP B 64 9.591 11.611 -4.966 1.00 0.00 C ATOM 982 CG ASP B 64 11.015 11.407 -4.490 1.00 0.00 C ATOM 983 OD1 ASP B 64 11.717 10.548 -5.066 1.00 0.00 O ATOM 984 OD2 ASP B 64 11.430 12.104 -3.540 1.00 0.00 O ATOM 0 H ASP B 64 10.199 9.498 -6.077 1.00 0.00 H new ATOM 0 HA ASP B 64 8.724 10.037 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP B 64 9.602 11.927 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP B 64 9.132 12.417 -4.394 1.00 0.00 H new ATOM 989 N GLU B 65 7.056 10.528 -6.570 1.00 0.00 N ATOM 990 CA GLU B 65 5.723 10.782 -7.111 1.00 0.00 C ATOM 991 C GLU B 65 4.688 9.876 -6.451 1.00 0.00 C ATOM 992 O GLU B 65 3.646 10.341 -5.989 1.00 0.00 O ATOM 993 CB GLU B 65 5.714 10.567 -8.625 1.00 0.00 C ATOM 994 CG GLU B 65 4.375 10.877 -9.276 1.00 0.00 C ATOM 995 CD GLU B 65 4.387 10.645 -10.774 1.00 0.00 C ATOM 996 OE1 GLU B 65 5.233 11.253 -11.463 1.00 0.00 O ATOM 997 OE2 GLU B 65 3.549 9.857 -11.259 1.00 0.00 O ATOM 0 H GLU B 65 7.753 10.270 -7.268 1.00 0.00 H new ATOM 0 HA GLU B 65 5.463 11.819 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.482 11.194 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU B 65 5.981 9.532 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU B 65 3.602 10.256 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU B 65 4.109 11.915 -9.075 1.00 0.00 H new ATOM 1004 N LEU B 66 4.988 8.582 -6.400 1.00 0.00 N ATOM 1005 CA LEU B 66 4.089 7.611 -5.786 1.00 0.00 C ATOM 1006 C LEU B 66 3.991 7.859 -4.287 1.00 0.00 C ATOM 1007 O LEU B 66 2.906 7.836 -3.707 1.00 0.00 O ATOM 1008 CB LEU B 66 4.581 6.180 -6.041 1.00 0.00 C ATOM 1009 CG LEU B 66 4.534 5.706 -7.499 1.00 0.00 C ATOM 1010 CD1 LEU B 66 3.108 5.745 -8.028 1.00 0.00 C ATOM 1011 CD2 LEU B 66 5.454 6.545 -8.375 1.00 0.00 C ATOM 0 H LEU B 66 5.847 8.181 -6.777 1.00 0.00 H new ATOM 0 HA LEU B 66 3.103 7.729 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.609 6.101 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU B 66 3.982 5.498 -5.438 1.00 0.00 H new ATOM 0 HG LEU B 66 4.886 4.675 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU B 66 3.095 5.405 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU B 66 2.478 5.092 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU B 66 2.728 6.765 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU B 66 5.402 6.188 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.141 7.588 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.479 6.460 -8.013 1.00 0.00 H new ATOM 1023 N PHE B 67 5.142 8.098 -3.673 1.00 0.00 N ATOM 1024 CA PHE B 67 5.220 8.356 -2.243 1.00 0.00 C ATOM 1025 C PHE B 67 4.425 9.601 -1.865 1.00 0.00 C ATOM 1026 O PHE B 67 3.874 9.685 -0.769 1.00 0.00 O ATOM 1027 CB PHE B 67 6.684 8.499 -1.825 1.00 0.00 C ATOM 1028 CG PHE B 67 7.497 7.251 -2.056 1.00 0.00 C ATOM 1029 CD1 PHE B 67 6.882 6.011 -2.162 1.00 0.00 C ATOM 1030 CD2 PHE B 67 8.874 7.318 -2.166 1.00 0.00 C ATOM 1031 CE1 PHE B 67 7.627 4.867 -2.371 1.00 0.00 C ATOM 1032 CE2 PHE B 67 9.625 6.176 -2.375 1.00 0.00 C ATOM 1033 CZ PHE B 67 9.000 4.950 -2.479 1.00 0.00 C ATOM 0 H PHE B 67 6.043 8.118 -4.150 1.00 0.00 H new ATOM 0 HA PHE B 67 4.780 7.512 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE B 67 7.133 9.324 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE B 67 6.728 8.762 -0.768 1.00 0.00 H new ATOM 0 HD1 PHE B 67 5.807 5.940 -2.080 1.00 0.00 H new ATOM 0 HD2 PHE B 67 9.369 8.275 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE B 67 7.135 3.909 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE B 67 10.700 6.243 -2.457 1.00 0.00 H new ATOM 0 HZ PHE B 67 9.585 4.057 -2.645 1.00 0.00 H new ATOM 1043 N SER B 68 4.362 10.562 -2.783 1.00 0.00 N ATOM 1044 CA SER B 68 3.620 11.795 -2.545 1.00 0.00 C ATOM 1045 C SER B 68 2.167 11.477 -2.219 1.00 0.00 C ATOM 1046 O SER B 68 1.579 12.071 -1.314 1.00 0.00 O ATOM 1047 CB SER B 68 3.694 12.714 -3.767 1.00 0.00 C ATOM 1048 OG SER B 68 5.021 13.147 -4.002 1.00 0.00 O ATOM 0 H SER B 68 4.815 10.510 -3.696 1.00 0.00 H new ATOM 0 HA SER B 68 4.071 12.310 -1.697 1.00 0.00 H new ATOM 0 HB2 SER B 68 3.320 12.187 -4.645 1.00 0.00 H new ATOM 0 HB3 SER B 68 3.048 13.579 -3.615 1.00 0.00 H new ATOM 0 HG SER B 68 5.534 12.421 -4.414 1.00 0.00 H new ATOM 1054 N MET B 69 1.599 10.525 -2.955 1.00 0.00 N ATOM 1055 CA MET B 69 0.220 10.108 -2.738 1.00 0.00 C ATOM 1056 C MET B 69 0.032 9.694 -1.286 1.00 0.00 C ATOM 1057 O MET B 69 -1.019 9.924 -0.687 1.00 0.00 O ATOM 1058 CB MET B 69 -0.140 8.947 -3.677 1.00 0.00 C ATOM 1059 CG MET B 69 0.139 9.253 -5.139 1.00 0.00 C ATOM 1060 SD MET B 69 -0.344 7.910 -6.240 1.00 0.00 S ATOM 1061 CE MET B 69 0.675 6.575 -5.621 1.00 0.00 C ATOM 0 H MET B 69 2.075 10.028 -3.708 1.00 0.00 H new ATOM 0 HA MET B 69 -0.444 10.944 -2.957 1.00 0.00 H new ATOM 0 HB2 MET B 69 0.424 8.062 -3.383 1.00 0.00 H new ATOM 0 HB3 MET B 69 -1.196 8.706 -3.558 1.00 0.00 H new ATOM 0 HG2 MET B 69 -0.395 10.160 -5.424 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.202 9.456 -5.266 1.00 0.00 H new ATOM 0 HE1 MET B 69 1.031 5.972 -6.456 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.528 6.988 -5.082 1.00 0.00 H new ATOM 0 HE3 MET B 69 0.088 5.951 -4.947 1.00 0.00 H new ATOM 1071 N LEU B 70 1.073 9.084 -0.729 1.00 0.00 N ATOM 1072 CA LEU B 70 1.056 8.631 0.654 1.00 0.00 C ATOM 1073 C LEU B 70 1.244 9.796 1.618 1.00 0.00 C ATOM 1074 O LEU B 70 0.647 9.827 2.685 1.00 0.00 O ATOM 1075 CB LEU B 70 2.164 7.613 0.888 1.00 0.00 C ATOM 1076 CG LEU B 70 2.216 6.460 -0.108 1.00 0.00 C ATOM 1077 CD1 LEU B 70 3.381 5.550 0.228 1.00 0.00 C ATOM 1078 CD2 LEU B 70 0.905 5.685 -0.115 1.00 0.00 C ATOM 0 H LEU B 70 1.946 8.892 -1.221 1.00 0.00 H new ATOM 0 HA LEU B 70 0.085 8.172 0.839 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.122 8.133 0.866 1.00 0.00 H new ATOM 0 HB3 LEU B 70 2.048 7.200 1.890 1.00 0.00 H new ATOM 0 HG LEU B 70 2.361 6.866 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.417 4.726 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.311 6.116 0.176 1.00 0.00 H new ATOM 0 HD13 LEU B 70 3.254 5.153 1.235 1.00 0.00 H new ATOM 0 HD21 LEU B 70 0.969 4.868 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU B 70 0.717 5.279 0.879 1.00 0.00 H new ATOM 0 HD23 LEU B 70 0.090 6.352 -0.395 1.00 0.00 H new ATOM 1090 N ASP B 71 2.098 10.740 1.242 1.00 0.00 N ATOM 1091 CA ASP B 71 2.380 11.893 2.089 1.00 0.00 C ATOM 1092 C ASP B 71 1.091 12.552 2.577 1.00 0.00 C ATOM 1093 O ASP B 71 0.994 12.961 3.734 1.00 0.00 O ATOM 1094 CB ASP B 71 3.231 12.911 1.328 1.00 0.00 C ATOM 1095 CG ASP B 71 3.602 14.108 2.182 1.00 0.00 C ATOM 1096 OD1 ASP B 71 4.259 13.912 3.225 1.00 0.00 O ATOM 1097 OD2 ASP B 71 3.237 15.241 1.805 1.00 0.00 O ATOM 0 H ASP B 71 2.607 10.730 0.358 1.00 0.00 H new ATOM 0 HA ASP B 71 2.932 11.541 2.961 1.00 0.00 H new ATOM 0 HB2 ASP B 71 4.140 12.427 0.972 1.00 0.00 H new ATOM 0 HB3 ASP B 71 2.685 13.251 0.448 1.00 0.00 H new ATOM 1102 N GLN B 72 0.109 12.655 1.689 1.00 0.00 N ATOM 1103 CA GLN B 72 -1.171 13.271 2.029 1.00 0.00 C ATOM 1104 C GLN B 72 -2.062 12.322 2.833 1.00 0.00 C ATOM 1105 O GLN B 72 -2.619 12.707 3.860 1.00 0.00 O ATOM 1106 CB GLN B 72 -1.890 13.719 0.756 1.00 0.00 C ATOM 1107 CG GLN B 72 -1.119 14.764 -0.036 1.00 0.00 C ATOM 1108 CD GLN B 72 -1.834 15.186 -1.304 1.00 0.00 C ATOM 1109 OE1 GLN B 72 -2.963 15.672 -1.261 1.00 0.00 O ATOM 1110 NE2 GLN B 72 -1.175 15.003 -2.442 1.00 0.00 N ATOM 0 H GLN B 72 0.173 12.320 0.728 1.00 0.00 H new ATOM 0 HA GLN B 72 -0.967 14.140 2.655 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -2.066 12.850 0.122 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -2.867 14.123 1.022 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -0.954 15.640 0.591 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -0.137 14.367 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -0.240 14.596 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -1.604 15.269 -3.328 1.00 0.00 H new ATOM 1119 N ARG B 73 -2.199 11.087 2.358 1.00 0.00 N ATOM 1120 CA ARG B 73 -3.032 10.091 3.033 1.00 0.00 C ATOM 1121 C ARG B 73 -2.490 9.765 4.422 1.00 0.00 C ATOM 1122 O ARG B 73 -3.230 9.754 5.407 1.00 0.00 O ATOM 1123 CB ARG B 73 -3.104 8.812 2.195 1.00 0.00 C ATOM 1124 CG ARG B 73 -3.710 9.021 0.817 1.00 0.00 C ATOM 1125 CD ARG B 73 -3.730 7.730 0.014 1.00 0.00 C ATOM 1126 NE ARG B 73 -4.360 7.908 -1.293 1.00 0.00 N ATOM 1127 CZ ARG B 73 -5.636 8.247 -1.459 1.00 0.00 C ATOM 1128 NH1 ARG B 73 -6.424 8.416 -0.406 1.00 0.00 N ATOM 1129 NH2 ARG B 73 -6.127 8.409 -2.679 1.00 0.00 N ATOM 0 H ARG B 73 -1.745 10.750 1.509 1.00 0.00 H new ATOM 0 HA ARG B 73 -4.032 10.511 3.145 1.00 0.00 H new ATOM 0 HB2 ARG B 73 -2.099 8.404 2.083 1.00 0.00 H new ATOM 0 HB3 ARG B 73 -3.692 8.068 2.732 1.00 0.00 H new ATOM 0 HG2 ARG B 73 -4.726 9.402 0.919 1.00 0.00 H new ATOM 0 HG3 ARG B 73 -3.139 9.777 0.278 1.00 0.00 H new ATOM 0 HD2 ARG B 73 -2.710 7.371 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG B 73 -4.266 6.963 0.573 1.00 0.00 H new ATOM 0 HE ARG B 73 -3.789 7.764 -2.126 1.00 0.00 H new ATOM 0 HH11 ARG B 73 -6.053 8.286 0.535 1.00 0.00 H new ATOM 0 HH12 ARG B 73 -7.402 8.676 -0.537 1.00 0.00 H new ATOM 0 HH21 ARG B 73 -5.527 8.274 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG B 73 -7.105 8.669 -2.805 1.00 0.00 H new ATOM 1143 N PHE B 74 -1.194 9.497 4.485 1.00 0.00 N ATOM 1144 CA PHE B 74 -0.523 9.160 5.735 1.00 0.00 C ATOM 1145 C PHE B 74 -0.417 10.386 6.636 1.00 0.00 C ATOM 1146 O PHE B 74 -0.212 10.266 7.845 1.00 0.00 O ATOM 1147 CB PHE B 74 0.880 8.606 5.445 1.00 0.00 C ATOM 1148 CG PHE B 74 0.900 7.342 4.620 1.00 0.00 C ATOM 1149 CD1 PHE B 74 -0.249 6.863 4.005 1.00 0.00 C ATOM 1150 CD2 PHE B 74 2.083 6.639 4.446 1.00 0.00 C ATOM 1151 CE1 PHE B 74 -0.219 5.713 3.240 1.00 0.00 C ATOM 1152 CE2 PHE B 74 2.118 5.487 3.682 1.00 0.00 C ATOM 1153 CZ PHE B 74 0.964 5.023 3.078 1.00 0.00 C ATOM 0 H PHE B 74 -0.577 9.507 3.673 1.00 0.00 H new ATOM 0 HA PHE B 74 -1.112 8.400 6.248 1.00 0.00 H new ATOM 0 HB2 PHE B 74 1.458 9.371 4.927 1.00 0.00 H new ATOM 0 HB3 PHE B 74 1.383 8.413 6.393 1.00 0.00 H new ATOM 0 HD1 PHE B 74 -1.180 7.397 4.126 1.00 0.00 H new ATOM 0 HD2 PHE B 74 2.989 6.996 4.913 1.00 0.00 H new ATOM 0 HE1 PHE B 74 -1.122 5.354 2.769 1.00 0.00 H new ATOM 0 HE2 PHE B 74 3.047 4.950 3.557 1.00 0.00 H new ATOM 0 HZ PHE B 74 0.989 4.123 2.481 1.00 0.00 H new ATOM 1334 N THR B 89 17.647 5.168 0.417 1.00 0.00 N ATOM 1335 CA THR B 89 16.531 4.501 -0.241 1.00 0.00 C ATOM 1336 C THR B 89 15.763 3.633 0.750 1.00 0.00 C ATOM 1337 O THR B 89 14.539 3.696 0.819 1.00 0.00 O ATOM 1338 CB THR B 89 17.011 3.627 -1.419 1.00 0.00 C ATOM 1339 OG1 THR B 89 17.639 4.447 -2.411 1.00 0.00 O ATOM 1340 CG2 THR B 89 15.852 2.861 -2.047 1.00 0.00 C ATOM 0 HA THR B 89 15.873 5.279 -0.629 1.00 0.00 H new ATOM 0 HB THR B 89 17.729 2.904 -1.031 1.00 0.00 H new ATOM 0 HG1 THR B 89 17.980 5.264 -1.992 1.00 0.00 H new ATOM 0 HG21 THR B 89 16.222 2.255 -2.874 1.00 0.00 H new ATOM 0 HG22 THR B 89 15.395 2.214 -1.298 1.00 0.00 H new ATOM 0 HG23 THR B 89 15.109 3.566 -2.419 1.00 0.00 H new ATOM 1348 N GLU B 90 16.487 2.830 1.522 1.00 0.00 N ATOM 1349 CA GLU B 90 15.862 1.958 2.512 1.00 0.00 C ATOM 1350 C GLU B 90 15.040 2.762 3.513 1.00 0.00 C ATOM 1351 O GLU B 90 13.945 2.355 3.888 1.00 0.00 O ATOM 1352 CB GLU B 90 16.918 1.141 3.257 1.00 0.00 C ATOM 1353 CG GLU B 90 17.715 0.208 2.361 1.00 0.00 C ATOM 1354 CD GLU B 90 18.763 -0.576 3.124 1.00 0.00 C ATOM 1355 OE1 GLU B 90 18.390 -1.312 4.062 1.00 0.00 O ATOM 1356 OE2 GLU B 90 19.959 -0.455 2.784 1.00 0.00 O ATOM 0 H GLU B 90 17.504 2.764 1.482 1.00 0.00 H new ATOM 0 HA GLU B 90 15.197 1.280 1.977 1.00 0.00 H new ATOM 0 HB2 GLU B 90 17.605 1.823 3.758 1.00 0.00 H new ATOM 0 HB3 GLU B 90 16.428 0.554 4.034 1.00 0.00 H new ATOM 0 HG2 GLU B 90 17.034 -0.486 1.868 1.00 0.00 H new ATOM 0 HG3 GLU B 90 18.200 0.789 1.577 1.00 0.00 H new ATOM 1363 N GLU B 91 15.579 3.899 3.947 1.00 0.00 N ATOM 1364 CA GLU B 91 14.889 4.751 4.912 1.00 0.00 C ATOM 1365 C GLU B 91 13.492 5.112 4.420 1.00 0.00 C ATOM 1366 O GLU B 91 12.505 4.933 5.135 1.00 0.00 O ATOM 1367 CB GLU B 91 15.696 6.026 5.167 1.00 0.00 C ATOM 1368 CG GLU B 91 15.037 6.986 6.149 1.00 0.00 C ATOM 1369 CD GLU B 91 14.887 6.401 7.542 1.00 0.00 C ATOM 1370 OE1 GLU B 91 15.295 5.239 7.750 1.00 0.00 O ATOM 1371 OE2 GLU B 91 14.363 7.108 8.427 1.00 0.00 O ATOM 0 H GLU B 91 16.488 4.251 3.647 1.00 0.00 H new ATOM 0 HA GLU B 91 14.794 4.195 5.845 1.00 0.00 H new ATOM 0 HB2 GLU B 91 16.680 5.752 5.547 1.00 0.00 H new ATOM 0 HB3 GLU B 91 15.852 6.541 4.219 1.00 0.00 H new ATOM 0 HG2 GLU B 91 15.628 7.900 6.207 1.00 0.00 H new ATOM 0 HG3 GLU B 91 14.054 7.265 5.771 1.00 0.00 H new ATOM 1378 N LYS B 92 13.417 5.614 3.195 1.00 0.00 N ATOM 1379 CA LYS B 92 12.143 5.995 2.601 1.00 0.00 C ATOM 1380 C LYS B 92 11.293 4.754 2.339 1.00 0.00 C ATOM 1381 O LYS B 92 10.103 4.724 2.644 1.00 0.00 O ATOM 1382 CB LYS B 92 12.384 6.768 1.304 1.00 0.00 C ATOM 1383 CG LYS B 92 11.128 7.380 0.705 1.00 0.00 C ATOM 1384 CD LYS B 92 11.461 8.299 -0.460 1.00 0.00 C ATOM 1385 CE LYS B 92 12.311 9.481 -0.019 1.00 0.00 C ATOM 1386 NZ LYS B 92 11.618 10.312 1.005 1.00 0.00 N ATOM 0 H LYS B 92 14.225 5.767 2.592 1.00 0.00 H new ATOM 0 HA LYS B 92 11.604 6.640 3.295 1.00 0.00 H new ATOM 0 HB2 LYS B 92 13.106 7.561 1.495 1.00 0.00 H new ATOM 0 HB3 LYS B 92 12.833 6.097 0.572 1.00 0.00 H new ATOM 0 HG2 LYS B 92 10.461 6.587 0.366 1.00 0.00 H new ATOM 0 HG3 LYS B 92 10.593 7.941 1.472 1.00 0.00 H new ATOM 0 HD2 LYS B 92 11.991 7.736 -1.228 1.00 0.00 H new ATOM 0 HD3 LYS B 92 10.538 8.663 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS B 92 13.255 9.118 0.387 1.00 0.00 H new ATOM 0 HE3 LYS B 92 12.552 10.098 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 12.122 11.215 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 10.641 10.496 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 11.607 9.806 1.913 1.00 0.00 H new ATOM 1400 N LEU B 93 11.925 3.727 1.785 1.00 0.00 N ATOM 1401 CA LEU B 93 11.247 2.471 1.491 1.00 0.00 C ATOM 1402 C LEU B 93 10.833 1.750 2.772 1.00 0.00 C ATOM 1403 O LEU B 93 10.019 0.832 2.740 1.00 0.00 O ATOM 1404 CB LEU B 93 12.135 1.563 0.633 1.00 0.00 C ATOM 1405 CG LEU B 93 12.104 1.852 -0.874 1.00 0.00 C ATOM 1406 CD1 LEU B 93 12.614 3.244 -1.174 1.00 0.00 C ATOM 1407 CD2 LEU B 93 12.920 0.830 -1.640 1.00 0.00 C ATOM 0 H LEU B 93 12.912 3.740 1.529 1.00 0.00 H new ATOM 0 HA LEU B 93 10.343 2.708 0.929 1.00 0.00 H new ATOM 0 HB2 LEU B 93 13.164 1.652 0.983 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.832 0.528 0.794 1.00 0.00 H new ATOM 0 HG LEU B 93 11.065 1.785 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU B 93 12.580 3.420 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU B 93 11.988 3.978 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU B 93 13.642 3.339 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU B 93 12.881 1.058 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.955 0.862 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU B 93 12.511 -0.166 -1.467 1.00 0.00 H new ATOM 1419 N ARG B 94 11.409 2.164 3.895 1.00 0.00 N ATOM 1420 CA ARG B 94 11.104 1.546 5.182 1.00 0.00 C ATOM 1421 C ARG B 94 9.771 2.032 5.745 1.00 0.00 C ATOM 1422 O ARG B 94 8.900 1.229 6.078 1.00 0.00 O ATOM 1423 CB ARG B 94 12.220 1.843 6.185 1.00 0.00 C ATOM 1424 CG ARG B 94 11.978 1.248 7.563 1.00 0.00 C ATOM 1425 CD ARG B 94 13.099 1.603 8.526 1.00 0.00 C ATOM 1426 NE ARG B 94 12.881 1.039 9.855 1.00 0.00 N ATOM 1427 CZ ARG B 94 13.716 1.211 10.875 1.00 0.00 C ATOM 1428 NH1 ARG B 94 14.819 1.930 10.720 1.00 0.00 N ATOM 1429 NH2 ARG B 94 13.448 0.664 12.053 1.00 0.00 N ATOM 0 H ARG B 94 12.088 2.923 3.941 1.00 0.00 H new ATOM 0 HA ARG B 94 11.029 0.471 5.018 1.00 0.00 H new ATOM 0 HB2 ARG B 94 13.161 1.457 5.793 1.00 0.00 H new ATOM 0 HB3 ARG B 94 12.333 2.923 6.280 1.00 0.00 H new ATOM 0 HG2 ARG B 94 11.029 1.613 7.957 1.00 0.00 H new ATOM 0 HG3 ARG B 94 11.895 0.164 7.483 1.00 0.00 H new ATOM 0 HD2 ARG B 94 14.046 1.238 8.129 1.00 0.00 H new ATOM 0 HD3 ARG B 94 13.181 2.687 8.602 1.00 0.00 H new ATOM 0 HE ARG B 94 12.041 0.482 10.009 1.00 0.00 H new ATOM 0 HH11 ARG B 94 15.029 2.353 9.816 1.00 0.00 H new ATOM 0 HH12 ARG B 94 15.458 2.060 11.505 1.00 0.00 H new ATOM 0 HH21 ARG B 94 12.600 0.110 12.177 1.00 0.00 H new ATOM 0 HH22 ARG B 94 14.090 0.797 12.835 1.00 0.00 H new ATOM 1443 N ARG B 95 9.626 3.347 5.871 1.00 0.00 N ATOM 1444 CA ARG B 95 8.408 3.933 6.421 1.00 0.00 C ATOM 1445 C ARG B 95 7.228 3.837 5.456 1.00 0.00 C ATOM 1446 O ARG B 95 6.156 3.365 5.829 1.00 0.00 O ATOM 1447 CB ARG B 95 8.649 5.396 6.803 1.00 0.00 C ATOM 1448 CG ARG B 95 9.188 6.244 5.665 1.00 0.00 C ATOM 1449 CD ARG B 95 9.342 7.698 6.076 1.00 0.00 C ATOM 1450 NE ARG B 95 10.234 7.851 7.222 1.00 0.00 N ATOM 1451 CZ ARG B 95 10.538 9.024 7.768 1.00 0.00 C ATOM 1452 NH1 ARG B 95 10.031 10.143 7.269 1.00 0.00 N ATOM 1453 NH2 ARG B 95 11.352 9.078 8.813 1.00 0.00 N ATOM 0 H ARG B 95 10.336 4.027 5.600 1.00 0.00 H new ATOM 0 HA ARG B 95 8.151 3.358 7.310 1.00 0.00 H new ATOM 0 HB2 ARG B 95 7.713 5.829 7.155 1.00 0.00 H new ATOM 0 HB3 ARG B 95 9.351 5.434 7.636 1.00 0.00 H new ATOM 0 HG2 ARG B 95 10.153 5.852 5.344 1.00 0.00 H new ATOM 0 HG3 ARG B 95 8.516 6.176 4.810 1.00 0.00 H new ATOM 0 HD2 ARG B 95 9.730 8.273 5.235 1.00 0.00 H new ATOM 0 HD3 ARG B 95 8.363 8.111 6.321 1.00 0.00 H new ATOM 0 HE ARG B 95 10.647 7.010 7.626 1.00 0.00 H new ATOM 0 HH11 ARG B 95 9.406 10.105 6.464 1.00 0.00 H new ATOM 0 HH12 ARG B 95 10.266 11.042 7.690 1.00 0.00 H new ATOM 0 HH21 ARG B 95 11.745 8.219 9.198 1.00 0.00 H new ATOM 0 HH22 ARG B 95 11.585 9.978 9.232 1.00 0.00 H new ATOM 1467 N TYR B 96 7.418 4.299 4.223 1.00 0.00 N ATOM 1468 CA TYR B 96 6.346 4.272 3.235 1.00 0.00 C ATOM 1469 C TYR B 96 5.824 2.858 2.995 1.00 0.00 C ATOM 1470 O TYR B 96 4.615 2.652 2.920 1.00 0.00 O ATOM 1471 CB TYR B 96 6.801 4.898 1.913 1.00 0.00 C ATOM 1472 CG TYR B 96 7.019 6.394 1.995 1.00 0.00 C ATOM 1473 CD1 TYR B 96 8.153 6.920 2.597 1.00 0.00 C ATOM 1474 CD2 TYR B 96 6.088 7.279 1.468 1.00 0.00 C ATOM 1475 CE1 TYR B 96 8.353 8.286 2.672 1.00 0.00 C ATOM 1476 CE2 TYR B 96 6.280 8.646 1.539 1.00 0.00 C ATOM 1477 CZ TYR B 96 7.415 9.144 2.143 1.00 0.00 C ATOM 1478 OH TYR B 96 7.610 10.503 2.216 1.00 0.00 O ATOM 0 H TYR B 96 8.297 4.693 3.887 1.00 0.00 H new ATOM 0 HA TYR B 96 5.527 4.865 3.642 1.00 0.00 H new ATOM 0 HB2 TYR B 96 7.728 4.421 1.595 1.00 0.00 H new ATOM 0 HB3 TYR B 96 6.055 4.689 1.146 1.00 0.00 H new ATOM 0 HD1 TYR B 96 8.892 6.251 3.014 1.00 0.00 H new ATOM 0 HD2 TYR B 96 5.198 6.892 0.994 1.00 0.00 H new ATOM 0 HE1 TYR B 96 9.242 8.679 3.144 1.00 0.00 H new ATOM 0 HE2 TYR B 96 5.545 9.320 1.124 1.00 0.00 H new ATOM 0 HH TYR B 96 6.855 10.965 1.795 1.00 0.00 H new ATOM 1488 N LEU B 97 6.724 1.889 2.868 1.00 0.00 N ATOM 1489 CA LEU B 97 6.309 0.509 2.626 1.00 0.00 C ATOM 1490 C LEU B 97 5.672 -0.111 3.862 1.00 0.00 C ATOM 1491 O LEU B 97 4.612 -0.728 3.772 1.00 0.00 O ATOM 1492 CB LEU B 97 7.485 -0.339 2.147 1.00 0.00 C ATOM 1493 CG LEU B 97 7.158 -1.807 1.855 1.00 0.00 C ATOM 1494 CD1 LEU B 97 5.816 -1.943 1.147 1.00 0.00 C ATOM 1495 CD2 LEU B 97 8.265 -2.431 1.026 1.00 0.00 C ATOM 0 H LEU B 97 7.733 2.028 2.927 1.00 0.00 H new ATOM 0 HA LEU B 97 5.555 0.531 1.839 1.00 0.00 H new ATOM 0 HB2 LEU B 97 7.892 0.112 1.242 1.00 0.00 H new ATOM 0 HB3 LEU B 97 8.270 -0.302 2.903 1.00 0.00 H new ATOM 0 HG LEU B 97 7.086 -2.337 2.805 1.00 0.00 H new ATOM 0 HD11 LEU B 97 5.612 -2.996 0.953 1.00 0.00 H new ATOM 0 HD12 LEU B 97 5.028 -1.531 1.778 1.00 0.00 H new ATOM 0 HD13 LEU B 97 5.846 -1.400 0.203 1.00 0.00 H new ATOM 0 HD21 LEU B 97 8.024 -3.474 0.823 1.00 0.00 H new ATOM 0 HD22 LEU B 97 8.362 -1.892 0.084 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.205 -2.376 1.574 1.00 0.00 H new ATOM 1507 N LYS B 98 6.306 0.059 5.014 1.00 0.00 N ATOM 1508 CA LYS B 98 5.762 -0.485 6.251 1.00 0.00 C ATOM 1509 C LYS B 98 4.344 0.030 6.453 1.00 0.00 C ATOM 1510 O LYS B 98 3.466 -0.692 6.928 1.00 0.00 O ATOM 1511 CB LYS B 98 6.636 -0.104 7.446 1.00 0.00 C ATOM 1512 CG LYS B 98 6.135 -0.667 8.766 1.00 0.00 C ATOM 1513 CD LYS B 98 7.035 -0.265 9.922 1.00 0.00 C ATOM 1514 CE LYS B 98 6.531 -0.827 11.240 1.00 0.00 C ATOM 1515 NZ LYS B 98 5.157 -0.349 11.560 1.00 0.00 N ATOM 0 H LYS B 98 7.187 0.563 5.118 1.00 0.00 H new ATOM 0 HA LYS B 98 5.747 -1.572 6.177 1.00 0.00 H new ATOM 0 HB2 LYS B 98 7.652 -0.458 7.271 1.00 0.00 H new ATOM 0 HB3 LYS B 98 6.685 0.982 7.519 1.00 0.00 H new ATOM 0 HG2 LYS B 98 5.121 -0.312 8.953 1.00 0.00 H new ATOM 0 HG3 LYS B 98 6.086 -1.754 8.703 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.048 -0.621 9.737 1.00 0.00 H new ATOM 0 HD3 LYS B 98 7.086 0.822 9.984 1.00 0.00 H new ATOM 0 HE2 LYS B 98 6.535 -1.916 11.195 1.00 0.00 H new ATOM 0 HE3 LYS B 98 7.211 -0.538 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 4.935 -0.569 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 5.104 0.679 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 4.471 -0.823 10.939 1.00 0.00 H new ATOM 1529 N ARG B 99 4.131 1.286 6.073 1.00 0.00 N ATOM 1530 CA ARG B 99 2.823 1.913 6.193 1.00 0.00 C ATOM 1531 C ARG B 99 1.866 1.394 5.129 1.00 0.00 C ATOM 1532 O ARG B 99 0.759 0.977 5.444 1.00 0.00 O ATOM 1533 CB ARG B 99 2.950 3.433 6.083 1.00 0.00 C ATOM 1534 CG ARG B 99 3.690 4.068 7.248 1.00 0.00 C ATOM 1535 CD ARG B 99 2.993 3.786 8.571 1.00 0.00 C ATOM 1536 NE ARG B 99 3.693 4.389 9.701 1.00 0.00 N ATOM 1537 CZ ARG B 99 3.296 4.267 10.963 1.00 0.00 C ATOM 1538 NH1 ARG B 99 2.212 3.561 11.255 1.00 0.00 N ATOM 1539 NH2 ARG B 99 3.983 4.849 11.936 1.00 0.00 N ATOM 0 H ARG B 99 4.852 1.890 5.678 1.00 0.00 H new ATOM 0 HA ARG B 99 2.418 1.658 7.172 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.468 3.680 5.156 1.00 0.00 H new ATOM 0 HB3 ARG B 99 1.953 3.869 6.016 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.710 3.686 7.284 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.758 5.145 7.094 1.00 0.00 H new ATOM 0 HD2 ARG B 99 1.973 4.168 8.531 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.924 2.709 8.721 1.00 0.00 H new ATOM 0 HE ARG B 99 4.534 4.934 9.511 1.00 0.00 H new ATOM 0 HH11 ARG B 99 1.681 3.110 10.510 1.00 0.00 H new ATOM 0 HH12 ARG B 99 1.909 3.469 12.225 1.00 0.00 H new ATOM 0 HH21 ARG B 99 4.818 5.392 11.716 1.00 0.00 H new ATOM 0 HH22 ARG B 99 3.676 4.754 12.904 1.00 0.00 H new ATOM 1553 N THR B 100 2.298 1.422 3.870 1.00 0.00 N ATOM 1554 CA THR B 100 1.468 0.951 2.764 1.00 0.00 C ATOM 1555 C THR B 100 0.953 -0.453 3.018 1.00 0.00 C ATOM 1556 O THR B 100 -0.229 -0.729 2.862 1.00 0.00 O ATOM 1557 CB THR B 100 2.240 0.922 1.438 1.00 0.00 C ATOM 1558 OG1 THR B 100 3.463 0.198 1.599 1.00 0.00 O ATOM 1559 CG2 THR B 100 2.534 2.317 0.935 1.00 0.00 C ATOM 0 H THR B 100 3.217 1.765 3.591 1.00 0.00 H new ATOM 0 HA THR B 100 0.639 1.656 2.695 1.00 0.00 H new ATOM 0 HB THR B 100 1.613 0.422 0.699 1.00 0.00 H new ATOM 0 HG1 THR B 100 3.668 -0.286 0.772 1.00 0.00 H new ATOM 0 HG21 THR B 100 3.082 2.257 -0.006 1.00 0.00 H new ATOM 0 HG22 THR B 100 1.597 2.851 0.776 1.00 0.00 H new ATOM 0 HG23 THR B 100 3.135 2.850 1.671 1.00 0.00 H new ATOM 1567 N VAL B 101 1.857 -1.336 3.399 1.00 0.00 N ATOM 1568 CA VAL B 101 1.508 -2.716 3.670 1.00 0.00 C ATOM 1569 C VAL B 101 0.360 -2.806 4.681 1.00 0.00 C ATOM 1570 O VAL B 101 -0.469 -3.713 4.610 1.00 0.00 O ATOM 1571 CB VAL B 101 2.752 -3.501 4.143 1.00 0.00 C ATOM 1572 CG1 VAL B 101 2.388 -4.621 5.098 1.00 0.00 C ATOM 1573 CG2 VAL B 101 3.518 -4.037 2.937 1.00 0.00 C ATOM 0 H VAL B 101 2.845 -1.119 3.528 1.00 0.00 H new ATOM 0 HA VAL B 101 1.156 -3.174 2.746 1.00 0.00 H new ATOM 0 HB VAL B 101 3.394 -2.814 4.694 1.00 0.00 H new ATOM 0 HG11 VAL B 101 3.293 -5.146 5.405 1.00 0.00 H new ATOM 0 HG12 VAL B 101 1.895 -4.204 5.976 1.00 0.00 H new ATOM 0 HG13 VAL B 101 1.715 -5.319 4.600 1.00 0.00 H new ATOM 0 HG21 VAL B 101 4.394 -4.589 3.278 1.00 0.00 H new ATOM 0 HG22 VAL B 101 2.872 -4.700 2.361 1.00 0.00 H new ATOM 0 HG23 VAL B 101 3.836 -3.205 2.309 1.00 0.00 H new ATOM 1583 N THR B 102 0.300 -1.845 5.602 1.00 0.00 N ATOM 1584 CA THR B 102 -0.767 -1.809 6.601 1.00 0.00 C ATOM 1585 C THR B 102 -1.984 -1.045 6.076 1.00 0.00 C ATOM 1586 O THR B 102 -3.119 -1.502 6.210 1.00 0.00 O ATOM 1587 CB THR B 102 -0.294 -1.163 7.918 1.00 0.00 C ATOM 1588 OG1 THR B 102 0.799 -1.910 8.464 1.00 0.00 O ATOM 1589 CG2 THR B 102 -1.430 -1.106 8.929 1.00 0.00 C ATOM 0 H THR B 102 0.975 -1.084 5.677 1.00 0.00 H new ATOM 0 HA THR B 102 -1.046 -2.844 6.800 1.00 0.00 H new ATOM 0 HB THR B 102 0.033 -0.146 7.703 1.00 0.00 H new ATOM 0 HG1 THR B 102 1.640 -1.587 8.079 1.00 0.00 H new ATOM 0 HG21 THR B 102 -1.074 -0.646 9.851 1.00 0.00 H new ATOM 0 HG22 THR B 102 -2.250 -0.514 8.522 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.781 -2.116 9.139 1.00 0.00 H new ATOM 1597 N GLU B 103 -1.734 0.116 5.471 1.00 0.00 N ATOM 1598 CA GLU B 103 -2.798 0.948 4.911 1.00 0.00 C ATOM 1599 C GLU B 103 -3.579 0.155 3.876 1.00 0.00 C ATOM 1600 O GLU B 103 -4.807 0.098 3.908 1.00 0.00 O ATOM 1601 CB GLU B 103 -2.202 2.200 4.261 1.00 0.00 C ATOM 1602 CG GLU B 103 -1.407 3.072 5.221 1.00 0.00 C ATOM 1603 CD GLU B 103 -2.267 3.695 6.304 1.00 0.00 C ATOM 1604 OE1 GLU B 103 -2.903 2.941 7.067 1.00 0.00 O ATOM 1605 OE2 GLU B 103 -2.301 4.940 6.389 1.00 0.00 O ATOM 0 H GLU B 103 -0.797 0.503 5.356 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.469 1.252 5.715 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.554 1.897 3.439 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -3.009 2.793 3.830 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.625 2.472 5.686 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -0.910 3.863 4.659 1.00 0.00 H new ATOM 1612 N LEU B 104 -2.838 -0.473 2.976 1.00 0.00 N ATOM 1613 CA LEU B 104 -3.416 -1.300 1.930 1.00 0.00 C ATOM 1614 C LEU B 104 -4.330 -2.342 2.552 1.00 0.00 C ATOM 1615 O LEU B 104 -5.466 -2.533 2.120 1.00 0.00 O ATOM 1616 CB LEU B 104 -2.293 -1.992 1.157 1.00 0.00 C ATOM 1617 CG LEU B 104 -2.745 -3.002 0.109 1.00 0.00 C ATOM 1618 CD1 LEU B 104 -3.167 -2.291 -1.159 1.00 0.00 C ATOM 1619 CD2 LEU B 104 -1.628 -3.980 -0.200 1.00 0.00 C ATOM 0 H LEU B 104 -1.820 -0.423 2.951 1.00 0.00 H new ATOM 0 HA LEU B 104 -3.996 -0.678 1.248 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -1.690 -1.229 0.665 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -1.644 -2.500 1.870 1.00 0.00 H new ATOM 0 HG LEU B 104 -3.597 -3.552 0.508 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -3.487 -3.025 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -3.992 -1.614 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -2.326 -1.721 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -1.967 -4.694 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -0.764 -3.436 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -1.349 -4.513 0.709 1.00 0.00 H new ATOM 1631 N ASP B 105 -3.817 -3.000 3.584 1.00 0.00 N ATOM 1632 CA ASP B 105 -4.564 -4.020 4.302 1.00 0.00 C ATOM 1633 C ASP B 105 -5.746 -3.395 5.034 1.00 0.00 C ATOM 1634 O ASP B 105 -6.765 -4.048 5.260 1.00 0.00 O ATOM 1635 CB ASP B 105 -3.647 -4.743 5.292 1.00 0.00 C ATOM 1636 CG ASP B 105 -4.357 -5.846 6.054 1.00 0.00 C ATOM 1637 OD1 ASP B 105 -5.271 -5.532 6.844 1.00 0.00 O ATOM 1638 OD2 ASP B 105 -4.001 -7.027 5.856 1.00 0.00 O ATOM 0 H ASP B 105 -2.876 -2.841 3.944 1.00 0.00 H new ATOM 0 HA ASP B 105 -4.947 -4.745 3.584 1.00 0.00 H new ATOM 0 HB2 ASP B 105 -2.800 -5.167 4.752 1.00 0.00 H new ATOM 0 HB3 ASP B 105 -3.243 -4.020 6.001 1.00 0.00 H new ATOM 1643 N SER B 106 -5.598 -2.128 5.408 1.00 0.00 N ATOM 1644 CA SER B 106 -6.649 -1.413 6.123 1.00 0.00 C ATOM 1645 C SER B 106 -7.856 -1.150 5.228 1.00 0.00 C ATOM 1646 O SER B 106 -8.940 -1.676 5.475 1.00 0.00 O ATOM 1647 CB SER B 106 -6.111 -0.089 6.670 1.00 0.00 C ATOM 1648 OG SER B 106 -7.118 0.622 7.367 1.00 0.00 O ATOM 0 H SER B 106 -4.760 -1.575 5.228 1.00 0.00 H new ATOM 0 HA SER B 106 -6.973 -2.043 6.951 1.00 0.00 H new ATOM 0 HB2 SER B 106 -5.270 -0.282 7.337 1.00 0.00 H new ATOM 0 HB3 SER B 106 -5.733 0.520 5.849 1.00 0.00 H new ATOM 0 HG SER B 106 -6.748 1.463 7.708 1.00 0.00 H new ATOM 1654 N VAL B 107 -7.670 -0.336 4.191 1.00 0.00 N ATOM 1655 CA VAL B 107 -8.762 -0.014 3.280 1.00 0.00 C ATOM 1656 C VAL B 107 -9.399 -1.269 2.694 1.00 0.00 C ATOM 1657 O VAL B 107 -10.621 -1.368 2.622 1.00 0.00 O ATOM 1658 CB VAL B 107 -8.319 0.929 2.138 1.00 0.00 C ATOM 1659 CG1 VAL B 107 -6.878 0.688 1.744 1.00 0.00 C ATOM 1660 CG2 VAL B 107 -9.231 0.782 0.934 1.00 0.00 C ATOM 0 H VAL B 107 -6.781 0.109 3.963 1.00 0.00 H new ATOM 0 HA VAL B 107 -9.506 0.509 3.881 1.00 0.00 H new ATOM 0 HB VAL B 107 -8.395 1.951 2.510 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -6.602 1.369 0.939 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -6.232 0.862 2.604 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -6.761 -0.341 1.405 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -8.900 1.455 0.143 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -9.196 -0.246 0.574 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -10.253 1.032 1.219 1.00 0.00 H new ATOM 1670 N THR B 108 -8.579 -2.230 2.280 1.00 0.00 N ATOM 1671 CA THR B 108 -9.105 -3.466 1.715 1.00 0.00 C ATOM 1672 C THR B 108 -9.970 -4.188 2.746 1.00 0.00 C ATOM 1673 O THR B 108 -10.972 -4.813 2.404 1.00 0.00 O ATOM 1674 CB THR B 108 -7.984 -4.408 1.232 1.00 0.00 C ATOM 1675 OG1 THR B 108 -8.551 -5.528 0.541 1.00 0.00 O ATOM 1676 CG2 THR B 108 -7.149 -4.906 2.398 1.00 0.00 C ATOM 0 H THR B 108 -7.561 -2.178 2.324 1.00 0.00 H new ATOM 0 HA THR B 108 -9.708 -3.194 0.849 1.00 0.00 H new ATOM 0 HB THR B 108 -7.339 -3.846 0.557 1.00 0.00 H new ATOM 0 HG1 THR B 108 -7.833 -6.121 0.236 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.366 -5.568 2.028 1.00 0.00 H new ATOM 0 HG22 THR B 108 -6.695 -4.057 2.909 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.786 -5.451 3.095 1.00 0.00 H new ATOM 1684 N ALA B 109 -9.570 -4.082 4.012 1.00 0.00 N ATOM 1685 CA ALA B 109 -10.303 -4.710 5.107 1.00 0.00 C ATOM 1686 C ALA B 109 -11.663 -4.048 5.305 1.00 0.00 C ATOM 1687 O ALA B 109 -12.656 -4.717 5.579 1.00 0.00 O ATOM 1688 CB ALA B 109 -9.493 -4.643 6.392 1.00 0.00 C ATOM 0 H ALA B 109 -8.740 -3.566 4.304 1.00 0.00 H new ATOM 0 HA ALA B 109 -10.468 -5.756 4.848 1.00 0.00 H new ATOM 0 HB1 ALA B 109 -10.052 -5.115 7.200 1.00 0.00 H new ATOM 0 HB2 ALA B 109 -8.546 -5.165 6.253 1.00 0.00 H new ATOM 0 HB3 ALA B 109 -9.299 -3.601 6.646 1.00 0.00 H new ATOM 1694 N ARG B 110 -11.699 -2.727 5.167 1.00 0.00 N ATOM 1695 CA ARG B 110 -12.936 -1.973 5.329 1.00 0.00 C ATOM 1696 C ARG B 110 -13.784 -2.028 4.060 1.00 0.00 C ATOM 1697 O ARG B 110 -15.008 -1.912 4.117 1.00 0.00 O ATOM 1698 CB ARG B 110 -12.641 -0.515 5.698 1.00 0.00 C ATOM 1699 CG ARG B 110 -12.202 -0.317 7.144 1.00 0.00 C ATOM 1700 CD ARG B 110 -10.901 -1.040 7.448 1.00 0.00 C ATOM 1701 NE ARG B 110 -10.475 -0.852 8.832 1.00 0.00 N ATOM 1702 CZ ARG B 110 -9.367 -1.384 9.339 1.00 0.00 C ATOM 1703 NH1 ARG B 110 -8.578 -2.132 8.580 1.00 0.00 N ATOM 1704 NH2 ARG B 110 -9.047 -1.168 10.608 1.00 0.00 N ATOM 0 H ARG B 110 -10.884 -2.156 4.943 1.00 0.00 H new ATOM 0 HA ARG B 110 -13.499 -2.434 6.141 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -11.862 -0.135 5.037 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -13.534 0.083 5.515 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -12.080 0.748 7.343 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -12.983 -0.679 7.813 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -11.024 -2.105 7.249 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -10.121 -0.679 6.778 1.00 0.00 H new ATOM 0 HE ARG B 110 -11.059 -0.281 9.443 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -8.820 -2.301 7.604 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -7.729 -2.538 8.972 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -9.651 -0.593 11.196 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -8.197 -1.577 10.996 1.00 0.00 H new ATOM 1718 N LEU B 111 -13.125 -2.192 2.915 1.00 0.00 N ATOM 1719 CA LEU B 111 -13.818 -2.247 1.632 1.00 0.00 C ATOM 1720 C LEU B 111 -14.785 -3.425 1.591 1.00 0.00 C ATOM 1721 O LEU B 111 -15.927 -3.278 1.160 1.00 0.00 O ATOM 1722 CB LEU B 111 -12.810 -2.354 0.480 1.00 0.00 C ATOM 1723 CG LEU B 111 -13.239 -1.700 -0.836 1.00 0.00 C ATOM 1724 CD1 LEU B 111 -12.164 -1.879 -1.897 1.00 0.00 C ATOM 1725 CD2 LEU B 111 -14.561 -2.266 -1.319 1.00 0.00 C ATOM 0 H LEU B 111 -12.112 -2.289 2.851 1.00 0.00 H new ATOM 0 HA LEU B 111 -14.388 -1.325 1.516 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -11.870 -1.903 0.800 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -12.610 -3.409 0.293 1.00 0.00 H new ATOM 0 HG LEU B 111 -13.373 -0.634 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -12.487 -1.408 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -11.237 -1.416 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -11.996 -2.942 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -14.843 -1.784 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -14.460 -3.339 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.331 -2.081 -0.570 1.00 0.00 H new ATOM 1737 N ARG B 112 -14.326 -4.591 2.041 1.00 0.00 N ATOM 1738 CA ARG B 112 -15.166 -5.786 2.049 1.00 0.00 C ATOM 1739 C ARG B 112 -16.469 -5.518 2.796 1.00 0.00 C ATOM 1740 O ARG B 112 -17.542 -5.936 2.359 1.00 0.00 O ATOM 1741 CB ARG B 112 -14.425 -6.969 2.677 1.00 0.00 C ATOM 1742 CG ARG B 112 -14.000 -6.733 4.115 1.00 0.00 C ATOM 1743 CD ARG B 112 -13.286 -7.943 4.695 1.00 0.00 C ATOM 1744 NE ARG B 112 -12.086 -8.287 3.939 1.00 0.00 N ATOM 1745 CZ ARG B 112 -11.282 -9.298 4.253 1.00 0.00 C ATOM 1746 NH1 ARG B 112 -11.546 -10.057 5.309 1.00 0.00 N ATOM 1747 NH2 ARG B 112 -10.211 -9.552 3.514 1.00 0.00 N ATOM 0 H ARG B 112 -13.383 -4.733 2.403 1.00 0.00 H new ATOM 0 HA ARG B 112 -15.403 -6.041 1.016 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -15.066 -7.850 2.637 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -13.541 -7.191 2.079 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -13.343 -5.865 4.163 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -14.877 -6.503 4.721 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -13.016 -7.741 5.731 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -13.966 -8.795 4.703 1.00 0.00 H new ATOM 0 HE ARG B 112 -11.851 -7.720 3.124 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -12.368 -9.865 5.882 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -10.927 -10.832 5.547 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -10.002 -8.971 2.702 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -9.596 -10.328 3.757 1.00 0.00 H new ATOM 1761 N GLU B 113 -16.374 -4.805 3.914 1.00 0.00 N ATOM 1762 CA GLU B 113 -17.555 -4.467 4.700 1.00 0.00 C ATOM 1763 C GLU B 113 -18.391 -3.434 3.954 1.00 0.00 C ATOM 1764 O GLU B 113 -19.617 -3.529 3.900 1.00 0.00 O ATOM 1765 CB GLU B 113 -17.157 -3.932 6.076 1.00 0.00 C ATOM 1766 CG GLU B 113 -18.346 -3.580 6.955 1.00 0.00 C ATOM 1767 CD GLU B 113 -17.936 -3.098 8.333 1.00 0.00 C ATOM 1768 OE1 GLU B 113 -16.719 -3.044 8.607 1.00 0.00 O ATOM 1769 OE2 GLU B 113 -18.834 -2.774 9.139 1.00 0.00 O ATOM 0 H GLU B 113 -15.496 -4.452 4.294 1.00 0.00 H new ATOM 0 HA GLU B 113 -18.147 -5.371 4.846 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -16.547 -4.678 6.585 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -16.535 -3.046 5.947 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -18.937 -2.806 6.466 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -18.988 -4.455 7.057 1.00 0.00 H new ATOM 1776 N VAL B 114 -17.706 -2.456 3.365 1.00 0.00 N ATOM 1777 CA VAL B 114 -18.363 -1.408 2.597 1.00 0.00 C ATOM 1778 C VAL B 114 -19.239 -2.020 1.510 1.00 0.00 C ATOM 1779 O VAL B 114 -20.401 -1.644 1.351 1.00 0.00 O ATOM 1780 CB VAL B 114 -17.321 -0.458 1.969 1.00 0.00 C ATOM 1781 CG1 VAL B 114 -17.916 0.360 0.851 1.00 0.00 C ATOM 1782 CG2 VAL B 114 -16.739 0.465 3.014 1.00 0.00 C ATOM 0 H VAL B 114 -16.691 -2.370 3.407 1.00 0.00 H new ATOM 0 HA VAL B 114 -18.993 -0.830 3.274 1.00 0.00 H new ATOM 0 HB VAL B 114 -16.528 -1.081 1.555 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -17.152 1.016 0.434 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -18.288 -0.305 0.072 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -18.739 0.961 1.238 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -16.007 1.126 2.549 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -17.536 1.062 3.457 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -16.253 -0.125 3.791 1.00 0.00 H new ATOM 1792 N GLU B 115 -18.684 -2.986 0.783 1.00 0.00 N ATOM 1793 CA GLU B 115 -19.426 -3.673 -0.264 1.00 0.00 C ATOM 1794 C GLU B 115 -20.432 -4.635 0.363 1.00 0.00 C ATOM 1795 O GLU B 115 -21.300 -4.209 1.123 1.00 0.00 O ATOM 1796 CB GLU B 115 -18.474 -4.404 -1.219 1.00 0.00 C ATOM 1797 CG GLU B 115 -17.470 -5.308 -0.522 1.00 0.00 C ATOM 1798 CD GLU B 115 -16.555 -6.027 -1.496 1.00 0.00 C ATOM 1799 OE1 GLU B 115 -16.664 -5.773 -2.713 1.00 0.00 O ATOM 1800 OE2 GLU B 115 -15.727 -6.843 -1.040 1.00 0.00 O ATOM 0 H GLU B 115 -17.724 -3.309 0.901 1.00 0.00 H new ATOM 0 HA GLU B 115 -19.973 -2.937 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU B 115 -19.063 -5.001 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU B 115 -17.933 -3.666 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU B 115 -16.868 -4.714 0.165 1.00 0.00 H new ATOM 0 HG3 GLU B 115 -18.005 -6.044 0.078 1.00 0.00 H new