USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ -119:sc= 1.06 (180deg=-0.103) USER MOD Set 1.2: A 88 THR OG1 : rot -68:sc= 1.26 USER MOD Set 2.1: A 77 THR OG1 : rot -117:sc= 1.3 USER MOD Set 2.2: A 80 GLN : amide:sc= 0.862 K(o=2.2,f=-1.3) USER MOD Set 3.1: A 21 THR OG1 : rot 52:sc= 0.455 USER MOD Set 3.2: A 24 SER OG : rot -25:sc= 0.276 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.17) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 87 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 90 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.27) USER MOD Single : A 93 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-0.13) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.510 38.314 18.678 1.00 0.00 N ATOM 45 CA ASP A 12 26.472 38.468 17.632 1.00 0.00 C ATOM 46 C ASP A 12 27.417 37.315 17.623 1.00 0.00 C ATOM 47 O ASP A 12 27.589 36.624 18.627 1.00 0.00 O ATOM 48 CB ASP A 12 27.212 39.806 17.793 1.00 0.00 C ATOM 49 CG ASP A 12 27.983 40.183 16.536 1.00 0.00 C ATOM 50 OD1 ASP A 12 27.545 39.803 15.417 1.00 0.00 O ATOM 51 OD2 ASP A 12 29.026 40.883 16.641 1.00 0.00 O ATOM 0 HA ASP A 12 25.960 38.481 16.670 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.494 40.592 18.028 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.901 39.741 18.635 1.00 0.00 H new ATOM 56 N THR A 13 28.065 37.053 16.474 1.00 0.00 N ATOM 57 CA THR A 13 28.971 35.964 16.279 1.00 0.00 C ATOM 58 C THR A 13 30.392 36.403 16.185 1.00 0.00 C ATOM 59 O THR A 13 30.717 37.499 15.733 1.00 0.00 O ATOM 60 CB THR A 13 28.712 35.133 15.057 1.00 0.00 C ATOM 61 OG1 THR A 13 28.608 35.914 13.876 1.00 0.00 O ATOM 62 CG2 THR A 13 27.392 34.361 15.217 1.00 0.00 C ATOM 0 H THR A 13 27.951 37.629 15.640 1.00 0.00 H new ATOM 0 HA THR A 13 28.794 35.361 17.169 1.00 0.00 H new ATOM 0 HB THR A 13 29.563 34.459 14.960 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.441 35.327 13.109 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.211 33.760 14.326 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.455 33.708 16.088 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.572 35.066 15.351 1.00 0.00 H new ATOM 70 N PHE A 14 31.317 35.483 16.515 1.00 0.00 N ATOM 71 CA PHE A 14 32.721 35.707 16.369 1.00 0.00 C ATOM 72 C PHE A 14 33.327 34.402 15.980 1.00 0.00 C ATOM 73 O PHE A 14 32.924 33.333 16.435 1.00 0.00 O ATOM 74 CB PHE A 14 33.481 36.206 17.609 1.00 0.00 C ATOM 75 CG PHE A 14 32.619 36.832 18.650 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.301 38.170 18.624 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.157 36.056 19.687 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.537 38.722 19.625 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.377 36.591 20.684 1.00 0.00 C ATOM 80 CZ PHE A 14 31.079 37.933 20.653 1.00 0.00 C ATOM 0 H PHE A 14 31.084 34.564 16.891 1.00 0.00 H new ATOM 0 HA PHE A 14 32.813 36.508 15.636 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.016 35.367 18.054 1.00 0.00 H new ATOM 0 HB3 PHE A 14 34.232 36.930 17.293 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.653 38.790 17.813 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.412 35.007 19.719 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.297 39.775 19.604 1.00 0.00 H new ATOM 0 HE2 PHE A 14 31.003 35.966 21.481 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.482 38.369 21.440 1.00 0.00 H new ATOM 90 N GLU A 15 34.345 34.456 15.102 1.00 0.00 N ATOM 91 CA GLU A 15 35.199 33.348 14.804 1.00 0.00 C ATOM 92 C GLU A 15 36.398 33.425 15.686 1.00 0.00 C ATOM 93 O GLU A 15 36.939 34.500 15.945 1.00 0.00 O ATOM 94 CB GLU A 15 35.606 33.322 13.321 1.00 0.00 C ATOM 95 CG GLU A 15 34.416 33.026 12.407 1.00 0.00 C ATOM 96 CD GLU A 15 34.775 33.141 10.932 1.00 0.00 C ATOM 97 OE1 GLU A 15 35.668 32.390 10.456 1.00 0.00 O ATOM 98 OE2 GLU A 15 34.136 33.969 10.229 1.00 0.00 O ATOM 0 H GLU A 15 34.582 35.301 14.581 1.00 0.00 H new ATOM 0 HA GLU A 15 34.658 32.421 14.992 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.043 34.282 13.048 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.377 32.566 13.169 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.046 32.021 12.611 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.605 33.717 12.636 1.00 0.00 H new ATOM 105 N VAL A 16 36.829 32.274 16.229 1.00 0.00 N ATOM 106 CA VAL A 16 37.905 32.198 17.169 1.00 0.00 C ATOM 107 C VAL A 16 38.884 31.213 16.628 1.00 0.00 C ATOM 108 O VAL A 16 38.701 30.000 16.727 1.00 0.00 O ATOM 109 CB VAL A 16 37.406 31.862 18.542 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.514 31.400 19.503 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.690 33.087 19.137 1.00 0.00 C ATOM 0 H VAL A 16 36.417 31.367 16.008 1.00 0.00 H new ATOM 0 HA VAL A 16 38.401 33.161 17.289 1.00 0.00 H new ATOM 0 HB VAL A 16 36.720 31.022 18.430 1.00 0.00 H new ATOM 0 HG11 VAL A 16 38.080 31.174 20.477 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.993 30.506 19.103 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.255 32.192 19.611 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.326 32.846 20.136 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.387 33.923 19.197 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.849 33.361 18.500 1.00 0.00 H new ATOM 121 N GLU A 17 39.963 31.704 15.993 1.00 0.00 N ATOM 122 CA GLU A 17 41.032 30.905 15.478 1.00 0.00 C ATOM 123 C GLU A 17 42.167 30.931 16.443 1.00 0.00 C ATOM 124 O GLU A 17 43.044 31.795 16.425 1.00 0.00 O ATOM 125 CB GLU A 17 41.432 31.340 14.058 1.00 0.00 C ATOM 126 CG GLU A 17 40.491 30.713 13.027 1.00 0.00 C ATOM 127 CD GLU A 17 40.583 31.344 11.646 1.00 0.00 C ATOM 128 OE1 GLU A 17 41.666 31.880 11.290 1.00 0.00 O ATOM 129 OE2 GLU A 17 39.573 31.316 10.892 1.00 0.00 O ATOM 0 H GLU A 17 40.096 32.702 15.831 1.00 0.00 H new ATOM 0 HA GLU A 17 40.702 29.871 15.376 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.397 32.427 13.979 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.459 31.039 13.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.714 29.649 12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.466 30.797 13.387 1.00 0.00 H new ATOM 136 N LEU A 18 42.129 29.962 17.374 1.00 0.00 N ATOM 137 CA LEU A 18 42.829 29.967 18.621 1.00 0.00 C ATOM 138 C LEU A 18 43.790 28.831 18.694 1.00 0.00 C ATOM 139 O LEU A 18 43.505 27.714 18.264 1.00 0.00 O ATOM 140 CB LEU A 18 41.765 29.802 19.719 1.00 0.00 C ATOM 141 CG LEU A 18 42.254 29.680 21.172 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.926 30.975 21.662 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.051 29.317 22.058 1.00 0.00 C ATOM 0 H LEU A 18 41.571 29.118 17.246 1.00 0.00 H new ATOM 0 HA LEU A 18 43.396 30.891 18.736 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.089 30.655 19.663 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.177 28.914 19.487 1.00 0.00 H new ATOM 0 HG LEU A 18 43.012 28.898 21.229 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.257 30.846 22.693 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.786 31.200 21.031 1.00 0.00 H new ATOM 0 HD13 LEU A 18 42.212 31.797 21.610 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.377 29.226 23.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.295 30.098 21.983 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.627 28.369 21.726 1.00 0.00 H new ATOM 155 N ALA A 19 44.983 29.056 19.272 1.00 0.00 N ATOM 156 CA ALA A 19 45.971 28.045 19.489 1.00 0.00 C ATOM 157 C ALA A 19 46.001 27.624 20.917 1.00 0.00 C ATOM 158 O ALA A 19 45.929 28.443 21.833 1.00 0.00 O ATOM 159 CB ALA A 19 47.352 28.538 19.025 1.00 0.00 C ATOM 0 H ALA A 19 45.271 29.978 19.601 1.00 0.00 H new ATOM 0 HA ALA A 19 45.704 27.171 18.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.093 27.758 19.197 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.315 28.776 17.962 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.628 29.430 19.587 1.00 0.00 H new ATOM 165 N LYS A 20 46.096 26.306 21.168 1.00 0.00 N ATOM 166 CA LYS A 20 45.998 25.730 22.473 1.00 0.00 C ATOM 167 C LYS A 20 47.089 26.046 23.436 1.00 0.00 C ATOM 168 O LYS A 20 48.193 26.454 23.080 1.00 0.00 O ATOM 169 CB LYS A 20 45.911 24.197 22.384 1.00 0.00 C ATOM 170 CG LYS A 20 44.614 23.684 21.756 1.00 0.00 C ATOM 171 CD LYS A 20 44.537 22.156 21.796 1.00 0.00 C ATOM 172 CE LYS A 20 43.221 21.622 21.227 1.00 0.00 C ATOM 173 NZ LYS A 20 43.237 20.146 21.132 1.00 0.00 N ATOM 0 H LYS A 20 46.247 25.615 20.433 1.00 0.00 H new ATOM 0 HA LYS A 20 45.093 26.194 22.866 1.00 0.00 H new ATOM 0 HB2 LYS A 20 46.755 23.828 21.802 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.008 23.779 23.386 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.760 24.106 22.286 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.549 24.026 20.723 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.370 21.738 21.231 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.649 21.816 22.826 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.393 21.939 21.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.049 22.050 20.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.121 19.861 20.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.143 19.785 21.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 42.458 19.753 21.698 1.00 0.00 H new ATOM 187 N THR A 21 46.796 25.832 24.732 1.00 0.00 N ATOM 188 CA THR A 21 47.693 25.952 25.838 1.00 0.00 C ATOM 189 C THR A 21 47.923 24.606 26.435 1.00 0.00 C ATOM 190 O THR A 21 47.090 24.129 27.204 1.00 0.00 O ATOM 191 CB THR A 21 47.185 26.840 26.936 1.00 0.00 C ATOM 192 OG1 THR A 21 45.802 26.641 27.192 1.00 0.00 O ATOM 193 CG2 THR A 21 47.377 28.308 26.522 1.00 0.00 C ATOM 0 H THR A 21 45.860 25.554 25.026 1.00 0.00 H new ATOM 0 HA THR A 21 48.604 26.396 25.436 1.00 0.00 H new ATOM 0 HB THR A 21 47.746 26.595 27.838 1.00 0.00 H new ATOM 0 HG1 THR A 21 45.628 25.686 27.325 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.010 28.960 27.314 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.436 28.503 26.353 1.00 0.00 H new ATOM 0 HG23 THR A 21 46.821 28.503 25.605 1.00 0.00 H new ATOM 201 N ASP A 22 49.044 23.937 26.110 1.00 0.00 N ATOM 202 CA ASP A 22 49.497 22.724 26.715 1.00 0.00 C ATOM 203 C ASP A 22 48.474 21.645 26.800 1.00 0.00 C ATOM 204 O ASP A 22 48.218 21.053 27.848 1.00 0.00 O ATOM 205 CB ASP A 22 50.167 23.087 28.051 1.00 0.00 C ATOM 206 CG ASP A 22 50.895 21.962 28.773 1.00 0.00 C ATOM 207 OD1 ASP A 22 51.766 21.290 28.158 1.00 0.00 O ATOM 208 OD2 ASP A 22 50.620 21.768 29.987 1.00 0.00 O ATOM 0 H ASP A 22 49.673 24.266 25.378 1.00 0.00 H new ATOM 0 HA ASP A 22 50.235 22.256 26.063 1.00 0.00 H new ATOM 0 HB2 ASP A 22 50.879 23.892 27.868 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.403 23.483 28.720 1.00 0.00 H new ATOM 213 N GLY A 23 47.797 21.349 25.677 1.00 0.00 N ATOM 214 CA GLY A 23 46.787 20.339 25.594 1.00 0.00 C ATOM 215 C GLY A 23 45.380 20.793 25.786 1.00 0.00 C ATOM 216 O GLY A 23 44.460 20.074 25.402 1.00 0.00 O ATOM 0 H GLY A 23 47.959 21.831 24.793 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.862 19.860 24.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.005 19.575 26.341 1.00 0.00 H new ATOM 220 N SER A 24 45.145 21.973 26.388 1.00 0.00 N ATOM 221 CA SER A 24 43.828 22.455 26.666 1.00 0.00 C ATOM 222 C SER A 24 43.466 23.666 25.876 1.00 0.00 C ATOM 223 O SER A 24 44.308 24.386 25.343 1.00 0.00 O ATOM 224 CB SER A 24 43.576 22.746 28.155 1.00 0.00 C ATOM 225 OG SER A 24 44.409 23.765 28.688 1.00 0.00 O ATOM 0 H SER A 24 45.887 22.606 26.688 1.00 0.00 H new ATOM 0 HA SER A 24 43.187 21.627 26.362 1.00 0.00 H new ATOM 0 HB2 SER A 24 42.533 23.035 28.288 1.00 0.00 H new ATOM 0 HB3 SER A 24 43.728 21.830 28.726 1.00 0.00 H new ATOM 0 HG SER A 24 45.237 23.817 28.166 1.00 0.00 H new ATOM 231 N LEU A 25 42.150 23.932 25.789 1.00 0.00 N ATOM 232 CA LEU A 25 41.603 25.170 25.326 1.00 0.00 C ATOM 233 C LEU A 25 41.282 26.000 26.521 1.00 0.00 C ATOM 234 O LEU A 25 41.746 27.130 26.657 1.00 0.00 O ATOM 235 CB LEU A 25 40.352 24.934 24.464 1.00 0.00 C ATOM 236 CG LEU A 25 40.687 24.440 23.046 1.00 0.00 C ATOM 237 CD1 LEU A 25 39.459 23.816 22.362 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.236 25.585 22.179 1.00 0.00 C ATOM 0 H LEU A 25 41.436 23.254 26.053 1.00 0.00 H new ATOM 0 HA LEU A 25 42.326 25.686 24.694 1.00 0.00 H new ATOM 0 HB2 LEU A 25 39.711 24.203 24.956 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.784 25.862 24.395 1.00 0.00 H new ATOM 0 HG LEU A 25 41.454 23.672 23.147 1.00 0.00 H new ATOM 0 HD11 LEU A 25 39.732 23.478 21.362 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.108 22.967 22.949 1.00 0.00 H new ATOM 0 HD13 LEU A 25 38.666 24.560 22.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.465 25.209 21.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.490 26.376 22.106 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.143 25.983 22.634 1.00 0.00 H new ATOM 250 N GLY A 26 40.481 25.483 27.470 1.00 0.00 N ATOM 251 CA GLY A 26 40.225 26.091 28.739 1.00 0.00 C ATOM 252 C GLY A 26 38.776 26.411 28.880 1.00 0.00 C ATOM 253 O GLY A 26 38.409 27.529 29.237 1.00 0.00 O ATOM 0 H GLY A 26 39.988 24.598 27.346 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.535 25.420 29.540 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.816 27.001 28.839 1.00 0.00 H new ATOM 257 N ILE A 27 37.910 25.419 28.608 1.00 0.00 N ATOM 258 CA ILE A 27 36.494 25.613 28.582 1.00 0.00 C ATOM 259 C ILE A 27 35.808 24.382 29.067 1.00 0.00 C ATOM 260 O ILE A 27 36.216 23.251 28.810 1.00 0.00 O ATOM 261 CB ILE A 27 36.001 26.032 27.229 1.00 0.00 C ATOM 262 CG1 ILE A 27 34.472 26.139 27.104 1.00 0.00 C ATOM 263 CG2 ILE A 27 36.614 25.155 26.124 1.00 0.00 C ATOM 264 CD1 ILE A 27 34.008 26.814 25.815 1.00 0.00 C ATOM 0 H ILE A 27 38.199 24.463 28.402 1.00 0.00 H new ATOM 0 HA ILE A 27 36.251 26.435 29.255 1.00 0.00 H new ATOM 0 HB ILE A 27 36.351 27.055 27.095 1.00 0.00 H new ATOM 0 HG12 ILE A 27 34.041 25.139 27.156 1.00 0.00 H new ATOM 0 HG13 ILE A 27 34.085 26.698 27.956 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.240 25.479 25.153 1.00 0.00 H new ATOM 0 HG22 ILE A 27 37.700 25.249 26.145 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.337 24.114 26.290 1.00 0.00 H new ATOM 0 HD11 ILE A 27 32.919 26.854 25.797 1.00 0.00 H new ATOM 0 HD12 ILE A 27 34.409 27.827 25.770 1.00 0.00 H new ATOM 0 HD13 ILE A 27 34.365 26.244 24.957 1.00 0.00 H new ATOM 276 N SER A 28 34.707 24.604 29.809 1.00 0.00 N ATOM 277 CA SER A 28 33.758 23.604 30.188 1.00 0.00 C ATOM 278 C SER A 28 32.500 23.900 29.447 1.00 0.00 C ATOM 279 O SER A 28 32.041 25.041 29.438 1.00 0.00 O ATOM 280 CB SER A 28 33.499 23.603 31.704 1.00 0.00 C ATOM 281 OG SER A 28 32.636 22.545 32.095 1.00 0.00 O ATOM 0 H SER A 28 34.467 25.530 30.162 1.00 0.00 H new ATOM 0 HA SER A 28 34.143 22.614 29.942 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.447 23.512 32.234 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.060 24.556 31.998 1.00 0.00 H new ATOM 0 HG SER A 28 32.497 22.577 33.065 1.00 0.00 H new ATOM 287 N VAL A 29 31.910 22.900 28.766 1.00 0.00 N ATOM 288 CA VAL A 29 30.717 23.038 27.991 1.00 0.00 C ATOM 289 C VAL A 29 29.588 22.310 28.635 1.00 0.00 C ATOM 290 O VAL A 29 29.778 21.506 29.546 1.00 0.00 O ATOM 291 CB VAL A 29 30.873 22.598 26.565 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.793 23.591 25.836 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.424 21.166 26.454 1.00 0.00 C ATOM 0 H VAL A 29 32.284 21.951 28.756 1.00 0.00 H new ATOM 0 HA VAL A 29 30.497 24.105 27.962 1.00 0.00 H new ATOM 0 HB VAL A 29 29.888 22.588 26.098 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.913 23.281 24.798 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.351 24.587 25.868 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.767 23.610 26.324 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.519 20.893 25.403 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.402 21.114 26.932 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.742 20.474 26.948 1.00 0.00 H new ATOM 303 N THR A 30 28.343 22.585 28.209 1.00 0.00 N ATOM 304 CA THR A 30 27.175 21.931 28.710 1.00 0.00 C ATOM 305 C THR A 30 26.120 21.900 27.656 1.00 0.00 C ATOM 306 O THR A 30 26.255 22.544 26.617 1.00 0.00 O ATOM 307 CB THR A 30 26.660 22.562 29.969 1.00 0.00 C ATOM 308 OG1 THR A 30 25.762 21.720 30.676 1.00 0.00 O ATOM 309 CG2 THR A 30 25.976 23.920 29.738 1.00 0.00 C ATOM 0 H THR A 30 28.143 23.284 27.494 1.00 0.00 H new ATOM 0 HA THR A 30 27.453 20.909 28.969 1.00 0.00 H new ATOM 0 HB THR A 30 27.556 22.722 30.569 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.457 22.176 31.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.628 24.319 30.691 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.688 24.615 29.292 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.127 23.790 29.067 1.00 0.00 H new ATOM 317 N GLY A 31 25.027 21.149 27.876 1.00 0.00 N ATOM 318 CA GLY A 31 23.922 21.058 26.972 1.00 0.00 C ATOM 319 C GLY A 31 23.990 19.852 26.099 1.00 0.00 C ATOM 320 O GLY A 31 24.593 18.837 26.443 1.00 0.00 O ATOM 0 H GLY A 31 24.908 20.583 28.716 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.993 21.037 27.542 1.00 0.00 H new ATOM 0 HA3 GLY A 31 23.894 21.952 26.348 1.00 0.00 H new ATOM 324 N GLY A 32 23.350 19.928 24.918 1.00 0.00 N ATOM 325 CA GLY A 32 23.287 18.845 23.987 1.00 0.00 C ATOM 326 C GLY A 32 22.042 18.037 24.117 1.00 0.00 C ATOM 327 O GLY A 32 21.492 17.873 25.205 1.00 0.00 O ATOM 0 H GLY A 32 22.863 20.767 24.602 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.353 19.240 22.973 1.00 0.00 H new ATOM 0 HA3 GLY A 32 24.151 18.197 24.133 1.00 0.00 H new ATOM 331 N VAL A 33 21.562 17.489 22.986 1.00 0.00 N ATOM 332 CA VAL A 33 20.272 16.893 22.821 1.00 0.00 C ATOM 333 C VAL A 33 19.983 15.683 23.641 1.00 0.00 C ATOM 334 O VAL A 33 18.832 15.275 23.789 1.00 0.00 O ATOM 335 CB VAL A 33 19.996 16.570 21.382 1.00 0.00 C ATOM 336 CG1 VAL A 33 20.079 17.844 20.525 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.944 15.494 20.828 1.00 0.00 C ATOM 0 H VAL A 33 22.114 17.461 22.129 1.00 0.00 H new ATOM 0 HA VAL A 33 19.605 17.670 23.194 1.00 0.00 H new ATOM 0 HB VAL A 33 18.986 16.163 21.333 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.877 17.595 19.483 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.342 18.567 20.875 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.077 18.274 20.608 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.701 15.298 19.784 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.974 15.844 20.902 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.830 14.577 21.405 1.00 0.00 H new ATOM 450 N GLY A 41 21.090 22.983 22.398 1.00 0.00 N ATOM 451 CA GLY A 41 22.296 23.626 21.975 1.00 0.00 C ATOM 452 C GLY A 41 23.383 23.352 22.957 1.00 0.00 C ATOM 453 O GLY A 41 23.121 22.926 24.080 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.585 23.265 20.988 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.135 24.700 21.887 1.00 0.00 H new ATOM 457 N ILE A 42 24.646 23.592 22.564 1.00 0.00 N ATOM 458 CA ILE A 42 25.789 23.431 23.409 1.00 0.00 C ATOM 459 C ILE A 42 26.156 24.790 23.898 1.00 0.00 C ATOM 460 O ILE A 42 26.268 25.726 23.109 1.00 0.00 O ATOM 461 CB ILE A 42 26.940 22.804 22.680 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.562 21.491 21.975 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.140 22.581 23.616 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.309 20.313 22.915 1.00 0.00 C ATOM 0 H ILE A 42 24.881 23.910 21.624 1.00 0.00 H new ATOM 0 HA ILE A 42 25.552 22.761 24.236 1.00 0.00 H new ATOM 0 HB ILE A 42 27.225 23.514 21.903 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.667 21.660 21.377 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.361 21.222 21.284 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.957 22.125 23.057 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.467 23.538 24.022 1.00 0.00 H new ATOM 0 HG23 ILE A 42 27.847 21.921 24.433 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.049 19.430 22.331 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.209 20.111 23.496 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.488 20.556 23.590 1.00 0.00 H new ATOM 476 N TYR A 43 26.319 24.980 25.219 1.00 0.00 N ATOM 477 CA TYR A 43 26.541 26.269 25.799 1.00 0.00 C ATOM 478 C TYR A 43 27.760 26.231 26.655 1.00 0.00 C ATOM 479 O TYR A 43 28.201 25.175 27.103 1.00 0.00 O ATOM 480 CB TYR A 43 25.346 26.746 26.642 1.00 0.00 C ATOM 481 CG TYR A 43 24.230 27.187 25.758 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.303 26.287 25.289 1.00 0.00 C ATOM 483 CD2 TYR A 43 24.124 28.506 25.385 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.296 26.690 24.444 1.00 0.00 C ATOM 485 CE2 TYR A 43 23.119 28.922 24.545 1.00 0.00 C ATOM 486 CZ TYR A 43 22.203 28.012 24.073 1.00 0.00 C ATOM 487 OH TYR A 43 21.170 28.432 23.208 1.00 0.00 O ATOM 0 H TYR A 43 26.296 24.221 25.900 1.00 0.00 H new ATOM 0 HA TYR A 43 26.671 26.974 24.978 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.007 25.940 27.292 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.654 27.568 27.288 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.366 25.251 25.588 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.840 29.224 25.757 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.580 25.971 24.073 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.049 29.960 24.257 1.00 0.00 H new ATOM 0 HH TYR A 43 21.249 29.396 23.048 1.00 0.00 H new ATOM 497 N VAL A 44 28.361 27.405 26.924 1.00 0.00 N ATOM 498 CA VAL A 44 29.493 27.535 27.787 1.00 0.00 C ATOM 499 C VAL A 44 29.110 27.441 29.224 1.00 0.00 C ATOM 500 O VAL A 44 28.252 28.175 29.710 1.00 0.00 O ATOM 501 CB VAL A 44 30.255 28.805 27.546 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.537 28.863 28.391 1.00 0.00 C ATOM 503 CG2 VAL A 44 30.624 28.893 26.056 1.00 0.00 C ATOM 0 H VAL A 44 28.048 28.291 26.528 1.00 0.00 H new ATOM 0 HA VAL A 44 30.148 26.698 27.545 1.00 0.00 H new ATOM 0 HB VAL A 44 29.622 29.644 27.835 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.063 29.796 28.190 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.278 28.812 29.449 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.180 28.022 28.134 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.178 29.813 25.872 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.241 28.037 25.783 1.00 0.00 H new ATOM 0 HG23 VAL A 44 29.715 28.891 25.455 1.00 0.00 H new ATOM 513 N LYS A 45 29.749 26.524 29.972 1.00 0.00 N ATOM 514 CA LYS A 45 29.546 26.320 31.373 1.00 0.00 C ATOM 515 C LYS A 45 30.507 27.140 32.161 1.00 0.00 C ATOM 516 O LYS A 45 30.110 27.865 33.073 1.00 0.00 O ATOM 517 CB LYS A 45 29.662 24.825 31.717 1.00 0.00 C ATOM 518 CG LYS A 45 28.808 24.390 32.910 1.00 0.00 C ATOM 519 CD LYS A 45 29.021 22.925 33.296 1.00 0.00 C ATOM 520 CE LYS A 45 27.900 22.371 34.179 1.00 0.00 C ATOM 521 NZ LYS A 45 28.314 21.124 34.861 1.00 0.00 N ATOM 0 H LYS A 45 30.445 25.891 29.578 1.00 0.00 H new ATOM 0 HA LYS A 45 28.540 26.645 31.637 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.373 24.239 30.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.706 24.591 31.927 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.041 25.023 33.766 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.756 24.548 32.673 1.00 0.00 H new ATOM 0 HD2 LYS A 45 29.094 22.323 32.390 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.971 22.828 33.821 1.00 0.00 H new ATOM 0 HE2 LYS A 45 27.618 23.117 34.922 1.00 0.00 H new ATOM 0 HE3 LYS A 45 27.017 22.178 33.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.532 20.775 35.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 28.560 20.405 34.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.142 21.315 35.461 1.00 0.00 H new ATOM 535 N ALA A 46 31.812 27.103 31.840 1.00 0.00 N ATOM 536 CA ALA A 46 32.784 27.902 32.520 1.00 0.00 C ATOM 537 C ALA A 46 34.015 28.073 31.699 1.00 0.00 C ATOM 538 O ALA A 46 34.292 27.267 30.812 1.00 0.00 O ATOM 539 CB ALA A 46 33.170 27.277 33.871 1.00 0.00 C ATOM 0 H ALA A 46 32.197 26.514 31.102 1.00 0.00 H new ATOM 0 HA ALA A 46 32.328 28.877 32.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.910 27.906 34.365 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.284 27.196 34.501 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.590 26.285 33.706 1.00 0.00 H new ATOM 545 N ILE A 47 34.803 29.129 31.971 1.00 0.00 N ATOM 546 CA ILE A 47 36.071 29.368 31.354 1.00 0.00 C ATOM 547 C ILE A 47 37.165 29.199 32.352 1.00 0.00 C ATOM 548 O ILE A 47 37.169 29.778 33.436 1.00 0.00 O ATOM 549 CB ILE A 47 36.059 30.643 30.563 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.613 30.419 29.146 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.755 31.835 31.242 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.656 29.648 28.239 1.00 0.00 C ATOM 0 H ILE A 47 34.546 29.846 32.649 1.00 0.00 H new ATOM 0 HA ILE A 47 36.283 28.615 30.595 1.00 0.00 H new ATOM 0 HB ILE A 47 35.008 30.925 30.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.833 31.385 28.692 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.556 29.876 29.213 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.694 32.709 30.594 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.263 32.051 32.190 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.802 31.590 31.423 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.108 29.524 27.255 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.455 28.668 28.672 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.721 30.201 28.143 1.00 0.00 H new ATOM 564 N ILE A 48 38.098 28.272 32.068 1.00 0.00 N ATOM 565 CA ILE A 48 39.074 27.719 32.954 1.00 0.00 C ATOM 566 C ILE A 48 40.253 28.584 33.236 1.00 0.00 C ATOM 567 O ILE A 48 40.842 29.049 32.263 1.00 0.00 O ATOM 568 CB ILE A 48 39.526 26.371 32.474 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.314 25.483 32.145 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.463 25.666 33.468 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.434 25.079 33.328 1.00 0.00 C ATOM 0 H ILE A 48 38.174 27.875 31.131 1.00 0.00 H new ATOM 0 HA ILE A 48 38.553 27.631 33.907 1.00 0.00 H new ATOM 0 HB ILE A 48 40.105 26.537 31.566 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.693 26.007 31.418 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.675 24.576 31.661 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.756 24.696 33.066 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.352 26.277 33.626 1.00 0.00 H new ATOM 0 HG23 ILE A 48 39.946 25.524 34.417 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.613 24.455 32.974 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.029 24.520 34.050 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.031 25.973 33.804 1.00 0.00 H new ATOM 583 N PRO A 49 40.727 28.795 34.429 1.00 0.00 N ATOM 584 CA PRO A 49 41.846 29.649 34.705 1.00 0.00 C ATOM 585 C PRO A 49 43.121 29.402 33.975 1.00 0.00 C ATOM 586 O PRO A 49 43.732 28.341 34.095 1.00 0.00 O ATOM 587 CB PRO A 49 42.054 29.529 36.212 1.00 0.00 C ATOM 588 CG PRO A 49 40.618 29.376 36.740 1.00 0.00 C ATOM 589 CD PRO A 49 39.973 28.517 35.641 1.00 0.00 C ATOM 0 HA PRO A 49 41.594 30.646 34.343 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.673 28.669 36.468 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.545 30.410 36.624 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.590 28.885 37.713 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.119 30.338 36.854 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.018 27.458 35.895 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.920 28.770 35.514 1.00 0.00 H new ATOM 597 N LYS A 50 43.548 30.408 33.190 1.00 0.00 N ATOM 598 CA LYS A 50 44.691 30.456 32.333 1.00 0.00 C ATOM 599 C LYS A 50 44.659 29.447 31.237 1.00 0.00 C ATOM 600 O LYS A 50 45.670 28.832 30.900 1.00 0.00 O ATOM 601 CB LYS A 50 46.055 30.470 33.042 1.00 0.00 C ATOM 602 CG LYS A 50 46.277 31.555 34.099 1.00 0.00 C ATOM 603 CD LYS A 50 45.921 31.112 35.519 1.00 0.00 C ATOM 604 CE LYS A 50 46.580 31.918 36.640 1.00 0.00 C ATOM 605 NZ LYS A 50 46.060 33.302 36.680 1.00 0.00 N ATOM 0 H LYS A 50 43.030 31.286 33.155 1.00 0.00 H new ATOM 0 HA LYS A 50 44.598 31.441 31.876 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.200 29.500 33.517 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.830 30.573 32.283 1.00 0.00 H new ATOM 0 HG2 LYS A 50 47.322 31.864 34.076 1.00 0.00 H new ATOM 0 HG3 LYS A 50 45.680 32.429 33.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 44.839 31.170 35.640 1.00 0.00 H new ATOM 0 HD3 LYS A 50 46.199 30.064 35.635 1.00 0.00 H new ATOM 0 HE2 LYS A 50 46.398 31.430 37.598 1.00 0.00 H new ATOM 0 HE3 LYS A 50 47.660 31.936 36.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 46.524 33.825 37.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 46.256 33.773 35.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 45.033 33.282 36.845 1.00 0.00 H new ATOM 619 N GLY A 51 43.492 29.222 30.609 1.00 0.00 N ATOM 620 CA GLY A 51 43.422 28.565 29.340 1.00 0.00 C ATOM 621 C GLY A 51 43.589 29.501 28.194 1.00 0.00 C ATOM 622 O GLY A 51 43.400 30.709 28.329 1.00 0.00 O ATOM 0 H GLY A 51 42.585 29.499 30.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.194 27.797 29.291 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.461 28.058 29.251 1.00 0.00 H new ATOM 626 N ALA A 52 43.864 28.965 26.991 1.00 0.00 N ATOM 627 CA ALA A 52 43.758 29.623 25.725 1.00 0.00 C ATOM 628 C ALA A 52 42.465 30.325 25.490 1.00 0.00 C ATOM 629 O ALA A 52 42.410 31.532 25.260 1.00 0.00 O ATOM 630 CB ALA A 52 43.995 28.582 24.619 1.00 0.00 C ATOM 0 H ALA A 52 44.184 28.001 26.898 1.00 0.00 H new ATOM 0 HA ALA A 52 44.513 30.409 25.716 1.00 0.00 H new ATOM 0 HB1 ALA A 52 43.919 29.063 23.644 1.00 0.00 H new ATOM 0 HB2 ALA A 52 44.989 28.150 24.733 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.246 27.794 24.694 1.00 0.00 H new ATOM 636 N ALA A 53 41.346 29.583 25.572 1.00 0.00 N ATOM 637 CA ALA A 53 40.000 30.019 25.370 1.00 0.00 C ATOM 638 C ALA A 53 39.571 31.032 26.376 1.00 0.00 C ATOM 639 O ALA A 53 38.969 32.049 26.039 1.00 0.00 O ATOM 640 CB ALA A 53 39.029 28.827 25.392 1.00 0.00 C ATOM 0 H ALA A 53 41.390 28.590 25.800 1.00 0.00 H new ATOM 0 HA ALA A 53 39.973 30.493 24.389 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.011 29.184 25.236 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.294 28.128 24.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.093 28.323 26.356 1.00 0.00 H new ATOM 646 N GLU A 54 39.918 30.790 27.652 1.00 0.00 N ATOM 647 CA GLU A 54 39.839 31.742 28.716 1.00 0.00 C ATOM 648 C GLU A 54 40.438 33.076 28.432 1.00 0.00 C ATOM 649 O GLU A 54 39.785 34.118 28.424 1.00 0.00 O ATOM 650 CB GLU A 54 40.519 31.197 29.983 1.00 0.00 C ATOM 651 CG GLU A 54 40.270 32.034 31.240 1.00 0.00 C ATOM 652 CD GLU A 54 41.403 32.869 31.819 1.00 0.00 C ATOM 653 OE1 GLU A 54 41.754 33.952 31.277 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.866 32.527 32.940 1.00 0.00 O ATOM 0 H GLU A 54 40.272 29.883 27.957 1.00 0.00 H new ATOM 0 HA GLU A 54 38.767 31.891 28.848 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.167 30.181 30.162 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.593 31.137 29.808 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.443 32.710 31.024 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.931 31.355 32.023 1.00 0.00 H new ATOM 661 N SER A 55 41.760 33.062 28.186 1.00 0.00 N ATOM 662 CA SER A 55 42.591 34.221 28.073 1.00 0.00 C ATOM 663 C SER A 55 42.346 35.047 26.858 1.00 0.00 C ATOM 664 O SER A 55 42.659 36.236 26.820 1.00 0.00 O ATOM 665 CB SER A 55 44.077 33.825 28.106 1.00 0.00 C ATOM 666 OG SER A 55 44.933 34.927 28.369 1.00 0.00 O ATOM 0 H SER A 55 42.278 32.193 28.059 1.00 0.00 H new ATOM 0 HA SER A 55 42.326 34.837 28.932 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.228 33.062 28.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.351 33.378 27.150 1.00 0.00 H new ATOM 0 HG SER A 55 45.864 34.622 28.381 1.00 0.00 H new ATOM 672 N ASP A 56 41.779 34.449 25.794 1.00 0.00 N ATOM 673 CA ASP A 56 41.447 35.083 24.555 1.00 0.00 C ATOM 674 C ASP A 56 40.485 36.211 24.704 1.00 0.00 C ATOM 675 O ASP A 56 40.828 37.331 24.328 1.00 0.00 O ATOM 676 CB ASP A 56 41.033 33.994 23.550 1.00 0.00 C ATOM 677 CG ASP A 56 40.626 34.563 22.199 1.00 0.00 C ATOM 678 OD1 ASP A 56 41.457 35.240 21.535 1.00 0.00 O ATOM 679 OD2 ASP A 56 39.441 34.374 21.816 1.00 0.00 O ATOM 0 H ASP A 56 41.537 33.458 25.801 1.00 0.00 H new ATOM 0 HA ASP A 56 42.325 35.589 24.153 1.00 0.00 H new ATOM 0 HB2 ASP A 56 41.862 33.299 23.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.203 33.421 23.963 1.00 0.00 H new ATOM 684 N GLY A 57 39.275 36.006 25.255 1.00 0.00 N ATOM 685 CA GLY A 57 38.430 37.095 25.636 1.00 0.00 C ATOM 686 C GLY A 57 37.103 37.149 24.960 1.00 0.00 C ATOM 687 O GLY A 57 36.216 37.885 25.391 1.00 0.00 O ATOM 0 H GLY A 57 38.881 35.083 25.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 38.267 37.045 26.713 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.958 38.028 25.436 1.00 0.00 H new ATOM 691 N ARG A 58 36.884 36.374 23.882 1.00 0.00 N ATOM 692 CA ARG A 58 35.621 36.322 23.216 1.00 0.00 C ATOM 693 C ARG A 58 34.630 35.530 23.998 1.00 0.00 C ATOM 694 O ARG A 58 33.529 36.006 24.268 1.00 0.00 O ATOM 695 CB ARG A 58 35.733 35.705 21.811 1.00 0.00 C ATOM 696 CG ARG A 58 36.635 36.459 20.832 1.00 0.00 C ATOM 697 CD ARG A 58 36.136 37.833 20.383 1.00 0.00 C ATOM 698 NE ARG A 58 36.969 38.169 19.195 1.00 0.00 N ATOM 699 CZ ARG A 58 36.520 38.863 18.108 1.00 0.00 C ATOM 700 NH1 ARG A 58 35.399 39.640 18.160 1.00 0.00 N ATOM 701 NH2 ARG A 58 37.190 38.732 16.926 1.00 0.00 N ATOM 0 H ARG A 58 37.596 35.774 23.467 1.00 0.00 H new ATOM 0 HA ARG A 58 35.285 37.355 23.126 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.105 34.685 21.909 1.00 0.00 H new ATOM 0 HB3 ARG A 58 34.734 35.640 21.381 1.00 0.00 H new ATOM 0 HG2 ARG A 58 37.615 36.583 21.293 1.00 0.00 H new ATOM 0 HG3 ARG A 58 36.776 35.839 19.947 1.00 0.00 H new ATOM 0 HD2 ARG A 58 35.076 37.806 20.129 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.255 38.575 21.173 1.00 0.00 H new ATOM 0 HE ARG A 58 37.941 37.860 19.193 1.00 0.00 H new ATOM 0 HH11 ARG A 58 34.870 39.715 19.029 1.00 0.00 H new ATOM 0 HH12 ARG A 58 35.090 40.146 17.330 1.00 0.00 H new ATOM 0 HH21 ARG A 58 38.008 38.125 16.868 1.00 0.00 H new ATOM 0 HH22 ARG A 58 36.873 39.241 16.101 1.00 0.00 H new ATOM 715 N ILE A 59 34.997 34.292 24.376 1.00 0.00 N ATOM 716 CA ILE A 59 34.141 33.288 24.926 1.00 0.00 C ATOM 717 C ILE A 59 33.893 33.476 26.384 1.00 0.00 C ATOM 718 O ILE A 59 34.798 33.402 27.213 1.00 0.00 O ATOM 719 CB ILE A 59 34.694 31.917 24.669 1.00 0.00 C ATOM 720 CG1 ILE A 59 34.941 31.724 23.164 1.00 0.00 C ATOM 721 CG2 ILE A 59 33.725 30.846 25.197 1.00 0.00 C ATOM 722 CD1 ILE A 59 35.556 30.379 22.778 1.00 0.00 C ATOM 0 H ILE A 59 35.962 33.972 24.290 1.00 0.00 H new ATOM 0 HA ILE A 59 33.181 33.390 24.420 1.00 0.00 H new ATOM 0 HB ILE A 59 35.643 31.813 25.195 1.00 0.00 H new ATOM 0 HG12 ILE A 59 33.993 31.837 22.638 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.597 32.521 22.814 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.137 29.856 25.005 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.585 30.979 26.270 1.00 0.00 H new ATOM 0 HG23 ILE A 59 32.764 30.943 24.691 1.00 0.00 H new ATOM 0 HD11 ILE A 59 35.692 30.338 21.697 1.00 0.00 H new ATOM 0 HD12 ILE A 59 36.522 30.266 23.270 1.00 0.00 H new ATOM 0 HD13 ILE A 59 34.893 29.572 23.091 1.00 0.00 H new ATOM 734 N HIS A 60 32.622 33.726 26.748 1.00 0.00 N ATOM 735 CA HIS A 60 32.150 33.954 28.079 1.00 0.00 C ATOM 736 C HIS A 60 31.168 32.919 28.509 1.00 0.00 C ATOM 737 O HIS A 60 30.620 32.150 27.721 1.00 0.00 O ATOM 738 CB HIS A 60 31.515 35.354 28.117 1.00 0.00 C ATOM 739 CG HIS A 60 31.207 35.930 29.467 1.00 0.00 C ATOM 740 ND1 HIS A 60 29.965 35.869 30.067 1.00 0.00 N ATOM 741 CD2 HIS A 60 31.987 36.662 30.306 1.00 0.00 C ATOM 742 CE1 HIS A 60 30.056 36.558 31.236 1.00 0.00 C ATOM 743 NE2 HIS A 60 31.261 37.067 31.406 1.00 0.00 N ATOM 0 H HIS A 60 31.870 33.772 26.060 1.00 0.00 H new ATOM 0 HA HIS A 60 32.987 33.890 28.775 1.00 0.00 H new ATOM 0 HB2 HIS A 60 32.184 36.042 27.600 1.00 0.00 H new ATOM 0 HB3 HIS A 60 30.588 35.320 27.545 1.00 0.00 H new ATOM 0 HD2 HIS A 60 33.028 36.894 30.135 1.00 0.00 H new ATOM 0 HE1 HIS A 60 29.243 36.674 31.938 1.00 0.00 H new ATOM 0 HE2 HIS A 60 31.587 37.639 32.186 1.00 0.00 H new ATOM 751 N LYS A 61 30.887 32.835 29.822 1.00 0.00 N ATOM 752 CA LYS A 61 29.922 31.956 30.404 1.00 0.00 C ATOM 753 C LYS A 61 28.526 32.195 29.940 1.00 0.00 C ATOM 754 O LYS A 61 27.984 33.297 30.027 1.00 0.00 O ATOM 755 CB LYS A 61 30.005 32.034 31.937 1.00 0.00 C ATOM 756 CG LYS A 61 29.094 31.072 32.704 1.00 0.00 C ATOM 757 CD LYS A 61 29.372 31.097 34.208 1.00 0.00 C ATOM 758 CE LYS A 61 28.524 30.082 34.977 1.00 0.00 C ATOM 759 NZ LYS A 61 28.803 30.137 36.429 1.00 0.00 N ATOM 0 H LYS A 61 31.361 33.414 30.516 1.00 0.00 H new ATOM 0 HA LYS A 61 30.174 30.951 30.065 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.036 31.844 32.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.766 33.052 32.243 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.052 31.337 32.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.235 30.060 32.326 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.428 30.890 34.383 1.00 0.00 H new ATOM 0 HD3 LYS A 61 29.175 32.097 34.594 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.467 30.280 34.800 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.727 29.078 34.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.213 29.437 36.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.807 29.924 36.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.586 31.088 36.788 1.00 0.00 H new ATOM 773 N GLY A 62 27.873 31.150 29.404 1.00 0.00 N ATOM 774 CA GLY A 62 26.560 31.230 28.842 1.00 0.00 C ATOM 775 C GLY A 62 26.523 31.548 27.387 1.00 0.00 C ATOM 776 O GLY A 62 25.444 31.740 26.831 1.00 0.00 O ATOM 0 H GLY A 62 28.274 30.213 29.360 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.051 30.280 29.005 1.00 0.00 H new ATOM 0 HA3 GLY A 62 25.995 31.991 29.381 1.00 0.00 H new ATOM 780 N ASP A 63 27.675 31.596 26.693 1.00 0.00 N ATOM 781 CA ASP A 63 27.705 31.771 25.274 1.00 0.00 C ATOM 782 C ASP A 63 27.326 30.515 24.566 1.00 0.00 C ATOM 783 O ASP A 63 27.362 29.420 25.125 1.00 0.00 O ATOM 784 CB ASP A 63 29.093 32.217 24.788 1.00 0.00 C ATOM 785 CG ASP A 63 29.401 33.671 25.118 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.501 34.460 25.513 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.590 34.037 24.923 1.00 0.00 O ATOM 0 H ASP A 63 28.597 31.512 27.122 1.00 0.00 H new ATOM 0 HA ASP A 63 26.979 32.551 25.042 1.00 0.00 H new ATOM 0 HB2 ASP A 63 29.852 31.579 25.240 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.157 32.074 23.709 1.00 0.00 H new ATOM 792 N ARG A 64 26.926 30.622 23.287 1.00 0.00 N ATOM 793 CA ARG A 64 26.446 29.518 22.516 1.00 0.00 C ATOM 794 C ARG A 64 27.512 29.026 21.599 1.00 0.00 C ATOM 795 O ARG A 64 28.108 29.787 20.839 1.00 0.00 O ATOM 796 CB ARG A 64 25.191 29.929 21.727 1.00 0.00 C ATOM 797 CG ARG A 64 24.499 28.799 20.963 1.00 0.00 C ATOM 798 CD ARG A 64 23.218 29.270 20.272 1.00 0.00 C ATOM 799 NE ARG A 64 22.666 28.109 19.519 1.00 0.00 N ATOM 800 CZ ARG A 64 21.566 28.200 18.716 1.00 0.00 C ATOM 801 NH1 ARG A 64 20.844 29.352 18.591 1.00 0.00 N ATOM 802 NH2 ARG A 64 21.184 27.101 18.001 1.00 0.00 N ATOM 0 H ARG A 64 26.937 31.503 22.773 1.00 0.00 H new ATOM 0 HA ARG A 64 26.176 28.706 23.191 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.474 30.369 22.420 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.467 30.709 21.017 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.184 28.393 20.218 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.261 27.989 21.652 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.496 29.630 21.005 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.428 30.100 19.598 1.00 0.00 H new ATOM 0 HE ARG A 64 23.131 27.205 19.608 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.121 30.186 19.109 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.028 29.379 17.980 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.718 26.235 18.073 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.365 27.146 17.395 1.00 0.00 H new ATOM 816 N VAL A 65 27.815 27.717 21.646 1.00 0.00 N ATOM 817 CA VAL A 65 28.850 27.099 20.878 1.00 0.00 C ATOM 818 C VAL A 65 28.290 26.717 19.551 1.00 0.00 C ATOM 819 O VAL A 65 27.427 25.844 19.465 1.00 0.00 O ATOM 820 CB VAL A 65 29.389 25.890 21.583 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.652 25.359 20.883 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.742 26.216 23.045 1.00 0.00 C ATOM 0 H VAL A 65 27.316 27.060 22.246 1.00 0.00 H new ATOM 0 HA VAL A 65 29.674 27.800 20.748 1.00 0.00 H new ATOM 0 HB VAL A 65 28.608 25.130 21.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.022 24.482 21.415 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.411 25.085 19.856 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.420 26.133 20.881 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.131 25.322 23.533 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.498 27.001 23.070 1.00 0.00 H new ATOM 0 HG23 VAL A 65 28.848 26.556 23.568 1.00 0.00 H new ATOM 832 N LEU A 66 28.709 27.359 18.447 1.00 0.00 N ATOM 833 CA LEU A 66 28.068 27.145 17.187 1.00 0.00 C ATOM 834 C LEU A 66 28.710 26.045 16.414 1.00 0.00 C ATOM 835 O LEU A 66 28.045 25.101 15.987 1.00 0.00 O ATOM 836 CB LEU A 66 28.010 28.405 16.308 1.00 0.00 C ATOM 837 CG LEU A 66 27.116 29.539 16.839 1.00 0.00 C ATOM 838 CD1 LEU A 66 27.198 30.734 15.874 1.00 0.00 C ATOM 839 CD2 LEU A 66 25.649 29.112 17.012 1.00 0.00 C ATOM 0 H LEU A 66 29.485 28.021 18.425 1.00 0.00 H new ATOM 0 HA LEU A 66 27.046 26.865 17.441 1.00 0.00 H new ATOM 0 HB2 LEU A 66 29.023 28.790 16.187 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.657 28.120 15.317 1.00 0.00 H new ATOM 0 HG LEU A 66 27.484 29.813 17.828 1.00 0.00 H new ATOM 0 HD11 LEU A 66 26.567 31.543 16.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 28.230 31.079 15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.855 30.428 14.886 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.067 29.953 17.389 1.00 0.00 H new ATOM 0 HD22 LEU A 66 25.247 28.795 16.050 1.00 0.00 H new ATOM 0 HD23 LEU A 66 25.592 28.285 17.720 1.00 0.00 H new ATOM 851 N ALA A 67 30.035 26.111 16.191 1.00 0.00 N ATOM 852 CA ALA A 67 30.712 25.131 15.401 1.00 0.00 C ATOM 853 C ALA A 67 32.107 24.985 15.905 1.00 0.00 C ATOM 854 O ALA A 67 32.714 25.926 16.412 1.00 0.00 O ATOM 855 CB ALA A 67 30.766 25.508 13.910 1.00 0.00 C ATOM 0 H ALA A 67 30.639 26.846 16.559 1.00 0.00 H new ATOM 0 HA ALA A 67 30.155 24.198 15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.291 24.729 13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.752 25.607 13.523 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.293 26.455 13.793 1.00 0.00 H new ATOM 861 N VAL A 68 32.634 23.751 15.805 1.00 0.00 N ATOM 862 CA VAL A 68 33.977 23.436 16.179 1.00 0.00 C ATOM 863 C VAL A 68 34.686 22.875 14.995 1.00 0.00 C ATOM 864 O VAL A 68 34.405 21.761 14.554 1.00 0.00 O ATOM 865 CB VAL A 68 34.035 22.431 17.292 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.495 22.189 17.713 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.211 22.875 18.512 1.00 0.00 C ATOM 0 H VAL A 68 32.110 22.950 15.454 1.00 0.00 H new ATOM 0 HA VAL A 68 34.449 24.354 16.529 1.00 0.00 H new ATOM 0 HB VAL A 68 33.602 21.504 16.916 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.524 21.458 18.521 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.061 21.812 16.862 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.935 23.126 18.055 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.281 22.118 19.293 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.599 23.822 18.888 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.168 23.000 18.221 1.00 0.00 H new ATOM 877 N ASN A 69 35.653 23.610 14.418 1.00 0.00 N ATOM 878 CA ASN A 69 36.607 23.153 13.458 1.00 0.00 C ATOM 879 C ASN A 69 36.027 22.688 12.166 1.00 0.00 C ATOM 880 O ASN A 69 36.512 21.758 11.524 1.00 0.00 O ATOM 881 CB ASN A 69 37.548 22.136 14.126 1.00 0.00 C ATOM 882 CG ASN A 69 38.947 22.148 13.528 1.00 0.00 C ATOM 883 OD1 ASN A 69 39.492 23.196 13.188 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.589 20.952 13.458 1.00 0.00 N ATOM 0 H ASN A 69 35.775 24.598 14.641 1.00 0.00 H new ATOM 0 HA ASN A 69 37.194 24.015 13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.612 22.352 15.192 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.124 21.137 14.028 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.549 20.908 13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.111 20.099 13.747 1.00 0.00 H new ATOM 891 N GLY A 70 34.940 23.344 11.724 1.00 0.00 N ATOM 892 CA GLY A 70 34.192 22.971 10.563 1.00 0.00 C ATOM 893 C GLY A 70 33.040 22.071 10.851 1.00 0.00 C ATOM 894 O GLY A 70 32.257 21.767 9.952 1.00 0.00 O ATOM 0 H GLY A 70 34.566 24.168 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 70 33.823 23.873 10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.859 22.477 9.856 1.00 0.00 H new ATOM 898 N VAL A 71 32.879 21.601 12.100 1.00 0.00 N ATOM 899 CA VAL A 71 31.801 20.748 12.494 1.00 0.00 C ATOM 900 C VAL A 71 30.717 21.561 13.112 1.00 0.00 C ATOM 901 O VAL A 71 30.875 22.143 14.184 1.00 0.00 O ATOM 902 CB VAL A 71 32.207 19.641 13.420 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.028 18.694 13.698 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.380 18.854 12.812 1.00 0.00 C ATOM 0 H VAL A 71 33.520 21.822 12.862 1.00 0.00 H new ATOM 0 HA VAL A 71 31.445 20.263 11.585 1.00 0.00 H new ATOM 0 HB VAL A 71 32.519 20.083 14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.350 17.900 14.372 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.213 19.253 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.684 18.257 12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.670 18.051 13.490 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.076 18.429 11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.227 19.523 12.659 1.00 0.00 H new ATOM 914 N SER A 72 29.549 21.635 12.448 1.00 0.00 N ATOM 915 CA SER A 72 28.385 22.312 12.928 1.00 0.00 C ATOM 916 C SER A 72 27.771 21.577 14.069 1.00 0.00 C ATOM 917 O SER A 72 27.444 20.397 13.953 1.00 0.00 O ATOM 918 CB SER A 72 27.295 22.419 11.848 1.00 0.00 C ATOM 919 OG SER A 72 27.767 23.084 10.685 1.00 0.00 O ATOM 0 H SER A 72 29.411 21.203 11.535 1.00 0.00 H new ATOM 0 HA SER A 72 28.724 23.304 13.228 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.949 21.420 11.580 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.436 22.956 12.250 1.00 0.00 H new ATOM 0 HG SER A 72 27.048 23.132 10.021 1.00 0.00 H new ATOM 925 N LEU A 73 27.587 22.221 15.236 1.00 0.00 N ATOM 926 CA LEU A 73 27.149 21.523 16.404 1.00 0.00 C ATOM 927 C LEU A 73 25.672 21.349 16.499 1.00 0.00 C ATOM 928 O LEU A 73 25.179 20.759 17.459 1.00 0.00 O ATOM 929 CB LEU A 73 27.650 22.149 17.717 1.00 0.00 C ATOM 930 CG LEU A 73 29.175 22.173 17.919 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.457 22.537 19.386 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.882 20.850 17.580 1.00 0.00 C ATOM 0 H LEU A 73 27.741 23.220 15.370 1.00 0.00 H new ATOM 0 HA LEU A 73 27.602 20.540 16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.281 23.173 17.771 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.203 21.605 18.549 1.00 0.00 H new ATOM 0 HG LEU A 73 29.577 22.910 17.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.534 22.560 19.555 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.034 23.517 19.605 1.00 0.00 H new ATOM 0 HD13 LEU A 73 29.004 21.792 20.039 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.953 20.956 17.751 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.490 20.055 18.215 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.704 20.600 16.534 1.00 0.00 H new ATOM 944 N GLU A 74 24.884 21.824 15.517 1.00 0.00 N ATOM 945 CA GLU A 74 23.459 21.713 15.474 1.00 0.00 C ATOM 946 C GLU A 74 22.953 20.316 15.587 1.00 0.00 C ATOM 947 O GLU A 74 23.156 19.478 14.710 1.00 0.00 O ATOM 948 CB GLU A 74 22.844 22.330 14.207 1.00 0.00 C ATOM 949 CG GLU A 74 23.007 23.840 14.013 1.00 0.00 C ATOM 950 CD GLU A 74 24.339 24.251 13.402 1.00 0.00 C ATOM 951 OE1 GLU A 74 25.373 24.173 14.119 1.00 0.00 O ATOM 952 OE2 GLU A 74 24.375 24.669 12.215 1.00 0.00 O ATOM 0 H GLU A 74 25.264 22.313 14.707 1.00 0.00 H new ATOM 0 HA GLU A 74 23.144 22.275 16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.280 21.830 13.342 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.778 22.102 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.201 24.202 13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.896 24.333 14.979 1.00 0.00 H new ATOM 959 N GLY A 75 22.284 20.011 16.714 1.00 0.00 N ATOM 960 CA GLY A 75 21.742 18.722 17.010 1.00 0.00 C ATOM 961 C GLY A 75 22.726 17.752 17.570 1.00 0.00 C ATOM 962 O GLY A 75 22.480 16.548 17.600 1.00 0.00 O ATOM 0 H GLY A 75 22.114 20.695 17.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.923 18.840 17.720 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.316 18.303 16.099 1.00 0.00 H new ATOM 966 N ALA A 76 23.918 18.210 17.993 1.00 0.00 N ATOM 967 CA ALA A 76 24.875 17.395 18.675 1.00 0.00 C ATOM 968 C ALA A 76 24.537 17.040 20.082 1.00 0.00 C ATOM 969 O ALA A 76 23.727 17.668 20.761 1.00 0.00 O ATOM 970 CB ALA A 76 26.282 18.009 18.583 1.00 0.00 C ATOM 0 H ALA A 76 24.225 19.173 17.857 1.00 0.00 H new ATOM 0 HA ALA A 76 24.850 16.443 18.144 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.992 17.371 19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.575 18.092 17.536 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.277 18.999 19.038 1.00 0.00 H new ATOM 976 N THR A 77 25.185 15.981 20.599 1.00 0.00 N ATOM 977 CA THR A 77 25.131 15.590 21.974 1.00 0.00 C ATOM 978 C THR A 77 26.208 16.251 22.763 1.00 0.00 C ATOM 979 O THR A 77 27.106 16.895 22.222 1.00 0.00 O ATOM 980 CB THR A 77 25.217 14.109 22.197 1.00 0.00 C ATOM 981 OG1 THR A 77 26.468 13.552 21.820 1.00 0.00 O ATOM 982 CG2 THR A 77 24.120 13.376 21.406 1.00 0.00 C ATOM 0 H THR A 77 25.773 15.369 20.033 1.00 0.00 H new ATOM 0 HA THR A 77 24.148 15.915 22.314 1.00 0.00 H new ATOM 0 HB THR A 77 25.089 13.972 23.271 1.00 0.00 H new ATOM 0 HG1 THR A 77 26.335 12.916 21.086 1.00 0.00 H new ATOM 0 HG21 THR A 77 24.200 12.303 21.582 1.00 0.00 H new ATOM 0 HG22 THR A 77 23.141 13.725 21.733 1.00 0.00 H new ATOM 0 HG23 THR A 77 24.241 13.580 20.342 1.00 0.00 H new ATOM 990 N HIS A 78 26.185 16.063 24.094 1.00 0.00 N ATOM 991 CA HIS A 78 27.226 16.438 25.001 1.00 0.00 C ATOM 992 C HIS A 78 28.519 15.768 24.682 1.00 0.00 C ATOM 993 O HIS A 78 29.559 16.412 24.560 1.00 0.00 O ATOM 994 CB HIS A 78 26.790 16.127 26.443 1.00 0.00 C ATOM 995 CG HIS A 78 27.687 16.668 27.515 1.00 0.00 C ATOM 996 ND1 HIS A 78 28.716 15.962 28.104 1.00 0.00 N ATOM 997 CD2 HIS A 78 27.656 17.870 28.149 1.00 0.00 C ATOM 998 CE1 HIS A 78 29.246 16.767 29.062 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.628 17.932 29.127 1.00 0.00 N ATOM 0 H HIS A 78 25.394 15.624 24.565 1.00 0.00 H new ATOM 0 HA HIS A 78 27.395 17.510 24.896 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.787 16.526 26.596 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.724 15.045 26.560 1.00 0.00 H new ATOM 0 HD2 HIS A 78 26.965 18.668 27.919 1.00 0.00 H new ATOM 0 HE1 HIS A 78 30.075 16.487 29.695 1.00 0.00 H new ATOM 0 HE2 HIS A 78 28.825 18.707 29.760 1.00 0.00 H new ATOM 1007 N LYS A 79 28.496 14.437 24.493 1.00 0.00 N ATOM 1008 CA LYS A 79 29.607 13.650 24.057 1.00 0.00 C ATOM 1009 C LYS A 79 30.211 14.108 22.774 1.00 0.00 C ATOM 1010 O LYS A 79 31.429 14.253 22.679 1.00 0.00 O ATOM 1011 CB LYS A 79 29.272 12.157 23.901 1.00 0.00 C ATOM 1012 CG LYS A 79 29.002 11.377 25.188 1.00 0.00 C ATOM 1013 CD LYS A 79 27.564 11.448 25.707 1.00 0.00 C ATOM 1014 CE LYS A 79 27.269 10.357 26.737 1.00 0.00 C ATOM 1015 NZ LYS A 79 25.864 10.433 27.199 1.00 0.00 N ATOM 0 H LYS A 79 27.657 13.880 24.653 1.00 0.00 H new ATOM 0 HA LYS A 79 30.329 13.788 24.862 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.395 12.070 23.260 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.098 11.675 23.378 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.259 10.331 25.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.670 11.748 25.965 1.00 0.00 H new ATOM 0 HD2 LYS A 79 27.389 12.426 26.155 1.00 0.00 H new ATOM 0 HD3 LYS A 79 26.872 11.352 24.870 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.460 9.377 26.300 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.942 10.463 27.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 25.687 9.683 27.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 25.692 11.361 27.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 25.225 10.309 26.388 1.00 0.00 H new ATOM 1029 N GLN A 80 29.387 14.401 21.751 1.00 0.00 N ATOM 1030 CA GLN A 80 29.834 14.885 20.482 1.00 0.00 C ATOM 1031 C GLN A 80 30.658 16.124 20.571 1.00 0.00 C ATOM 1032 O GLN A 80 31.789 16.140 20.088 1.00 0.00 O ATOM 1033 CB GLN A 80 28.658 15.141 19.526 1.00 0.00 C ATOM 1034 CG GLN A 80 28.362 14.024 18.523 1.00 0.00 C ATOM 1035 CD GLN A 80 27.792 12.751 19.133 1.00 0.00 C ATOM 1036 OE1 GLN A 80 26.584 12.626 19.326 1.00 0.00 O ATOM 1037 NE2 GLN A 80 28.662 11.756 19.453 1.00 0.00 N ATOM 0 H GLN A 80 28.374 14.297 21.810 1.00 0.00 H new ATOM 0 HA GLN A 80 30.467 14.090 20.090 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.762 15.317 20.121 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.857 16.058 18.972 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.659 14.400 17.779 1.00 0.00 H new ATOM 0 HG3 GLN A 80 29.283 13.776 17.995 1.00 0.00 H new ATOM 0 HE21 GLN A 80 29.661 11.878 19.285 1.00 0.00 H new ATOM 0 HE22 GLN A 80 28.316 10.887 19.861 1.00 0.00 H new ATOM 1046 N ALA A 81 30.163 17.192 21.221 1.00 0.00 N ATOM 1047 CA ALA A 81 30.872 18.421 21.401 1.00 0.00 C ATOM 1048 C ALA A 81 32.160 18.283 22.137 1.00 0.00 C ATOM 1049 O ALA A 81 33.161 18.872 21.731 1.00 0.00 O ATOM 1050 CB ALA A 81 29.956 19.417 22.132 1.00 0.00 C ATOM 0 H ALA A 81 29.232 17.200 21.638 1.00 0.00 H new ATOM 0 HA ALA A 81 31.139 18.780 20.407 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.485 20.359 22.276 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.059 19.591 21.537 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.674 19.007 23.102 1.00 0.00 H new ATOM 1056 N VAL A 82 32.227 17.460 23.198 1.00 0.00 N ATOM 1057 CA VAL A 82 33.428 17.197 23.928 1.00 0.00 C ATOM 1058 C VAL A 82 34.423 16.468 23.092 1.00 0.00 C ATOM 1059 O VAL A 82 35.578 16.878 22.987 1.00 0.00 O ATOM 1060 CB VAL A 82 33.184 16.441 25.202 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.504 16.043 25.885 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.372 17.332 26.157 1.00 0.00 C ATOM 0 H VAL A 82 31.416 16.959 23.561 1.00 0.00 H new ATOM 0 HA VAL A 82 33.832 18.173 24.197 1.00 0.00 H new ATOM 0 HB VAL A 82 32.639 15.528 24.962 1.00 0.00 H new ATOM 0 HG11 VAL A 82 34.288 15.498 26.804 1.00 0.00 H new ATOM 0 HG12 VAL A 82 35.084 15.409 25.214 1.00 0.00 H new ATOM 0 HG13 VAL A 82 35.076 16.940 26.121 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.187 16.795 27.087 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.932 18.243 26.369 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.420 17.591 25.693 1.00 0.00 H new ATOM 1072 N GLU A 83 34.023 15.374 22.419 1.00 0.00 N ATOM 1073 CA GLU A 83 34.914 14.603 21.609 1.00 0.00 C ATOM 1074 C GLU A 83 35.401 15.327 20.402 1.00 0.00 C ATOM 1075 O GLU A 83 36.539 15.141 19.974 1.00 0.00 O ATOM 1076 CB GLU A 83 34.304 13.249 21.206 1.00 0.00 C ATOM 1077 CG GLU A 83 34.132 12.302 22.396 1.00 0.00 C ATOM 1078 CD GLU A 83 33.677 10.911 21.979 1.00 0.00 C ATOM 1079 OE1 GLU A 83 33.012 10.760 20.919 1.00 0.00 O ATOM 1080 OE2 GLU A 83 34.005 9.934 22.703 1.00 0.00 O ATOM 0 H GLU A 83 33.067 15.019 22.438 1.00 0.00 H new ATOM 0 HA GLU A 83 35.782 14.421 22.243 1.00 0.00 H new ATOM 0 HB2 GLU A 83 33.334 13.417 20.737 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.941 12.776 20.459 1.00 0.00 H new ATOM 0 HG2 GLU A 83 35.077 12.225 22.933 1.00 0.00 H new ATOM 0 HG3 GLU A 83 33.405 12.725 23.089 1.00 0.00 H new ATOM 1087 N THR A 84 34.565 16.224 19.850 1.00 0.00 N ATOM 1088 CA THR A 84 34.859 17.154 18.804 1.00 0.00 C ATOM 1089 C THR A 84 35.855 18.173 19.238 1.00 0.00 C ATOM 1090 O THR A 84 36.863 18.372 18.562 1.00 0.00 O ATOM 1091 CB THR A 84 33.626 17.849 18.307 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.701 16.920 17.761 1.00 0.00 O ATOM 1093 CG2 THR A 84 33.899 18.838 17.161 1.00 0.00 C ATOM 0 H THR A 84 33.598 16.304 20.165 1.00 0.00 H new ATOM 0 HA THR A 84 35.282 16.568 17.988 1.00 0.00 H new ATOM 0 HB THR A 84 33.243 18.371 19.184 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.076 16.632 18.459 1.00 0.00 H new ATOM 0 HG21 THR A 84 32.963 19.304 16.852 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.592 19.607 17.502 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.335 18.305 16.316 1.00 0.00 H new ATOM 1101 N LEU A 85 35.668 18.834 20.395 1.00 0.00 N ATOM 1102 CA LEU A 85 36.609 19.741 20.973 1.00 0.00 C ATOM 1103 C LEU A 85 37.930 19.126 21.284 1.00 0.00 C ATOM 1104 O LEU A 85 38.975 19.719 21.022 1.00 0.00 O ATOM 1105 CB LEU A 85 36.061 20.383 22.258 1.00 0.00 C ATOM 1106 CG LEU A 85 35.017 21.489 22.029 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.260 21.792 23.333 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.648 22.781 21.484 1.00 0.00 C ATOM 0 H LEU A 85 34.820 18.730 20.953 1.00 0.00 H new ATOM 0 HA LEU A 85 36.763 20.498 20.204 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.615 19.604 22.876 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.894 20.800 22.823 1.00 0.00 H new ATOM 0 HG LEU A 85 34.319 21.117 21.278 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.525 22.577 23.153 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.752 20.891 23.677 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.966 22.123 24.095 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.871 23.532 21.339 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.385 23.154 22.195 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.135 22.574 20.531 1.00 0.00 H new ATOM 1120 N ARG A 86 37.955 17.891 21.817 1.00 0.00 N ATOM 1121 CA ARG A 86 39.144 17.124 22.024 1.00 0.00 C ATOM 1122 C ARG A 86 39.894 16.839 20.768 1.00 0.00 C ATOM 1123 O ARG A 86 41.117 16.968 20.718 1.00 0.00 O ATOM 1124 CB ARG A 86 38.831 15.822 22.779 1.00 0.00 C ATOM 1125 CG ARG A 86 38.593 16.057 24.272 1.00 0.00 C ATOM 1126 CD ARG A 86 38.359 14.767 25.059 1.00 0.00 C ATOM 1127 NE ARG A 86 38.100 15.189 26.464 1.00 0.00 N ATOM 1128 CZ ARG A 86 37.971 14.321 27.510 1.00 0.00 C ATOM 1129 NH1 ARG A 86 38.040 12.966 27.352 1.00 0.00 N ATOM 1130 NH2 ARG A 86 37.751 14.831 28.757 1.00 0.00 N ATOM 0 H ARG A 86 37.109 17.406 22.117 1.00 0.00 H new ATOM 0 HA ARG A 86 39.800 17.743 22.636 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.948 15.355 22.342 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.658 15.123 22.651 1.00 0.00 H new ATOM 0 HG2 ARG A 86 39.453 16.579 24.692 1.00 0.00 H new ATOM 0 HG3 ARG A 86 37.730 16.712 24.396 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.513 14.211 24.656 1.00 0.00 H new ATOM 0 HD3 ARG A 86 39.228 14.111 25.002 1.00 0.00 H new ATOM 0 HE ARG A 86 38.014 16.187 26.656 1.00 0.00 H new ATOM 0 HH11 ARG A 86 38.193 12.568 26.426 1.00 0.00 H new ATOM 0 HH12 ARG A 86 37.938 12.352 28.160 1.00 0.00 H new ATOM 0 HH21 ARG A 86 37.686 15.840 28.891 1.00 0.00 H new ATOM 0 HH22 ARG A 86 37.651 14.203 29.555 1.00 0.00 H new ATOM 1144 N ASN A 87 39.197 16.509 19.666 1.00 0.00 N ATOM 1145 CA ASN A 87 39.782 16.203 18.398 1.00 0.00 C ATOM 1146 C ASN A 87 40.112 17.392 17.565 1.00 0.00 C ATOM 1147 O ASN A 87 40.227 17.319 16.343 1.00 0.00 O ATOM 1148 CB ASN A 87 38.854 15.249 17.626 1.00 0.00 C ATOM 1149 CG ASN A 87 39.581 14.438 16.562 1.00 0.00 C ATOM 1150 OD1 ASN A 87 39.363 14.611 15.364 1.00 0.00 O ATOM 1151 ND2 ASN A 87 40.494 13.534 17.006 1.00 0.00 N ATOM 0 H ASN A 87 38.179 16.453 19.659 1.00 0.00 H new ATOM 0 HA ASN A 87 40.740 15.727 18.609 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.376 14.568 18.330 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.060 15.827 17.154 1.00 0.00 H new ATOM 0 HD21 ASN A 87 41.023 12.974 16.338 1.00 0.00 H new ATOM 0 HD22 ASN A 87 40.650 13.416 18.007 1.00 0.00 H new ATOM 1158 N THR A 88 40.347 18.556 18.197 1.00 0.00 N ATOM 1159 CA THR A 88 40.895 19.717 17.566 1.00 0.00 C ATOM 1160 C THR A 88 42.383 19.641 17.615 1.00 0.00 C ATOM 1161 O THR A 88 42.945 19.029 18.521 1.00 0.00 O ATOM 1162 CB THR A 88 40.424 21.016 18.148 1.00 0.00 C ATOM 1163 OG1 THR A 88 40.676 21.125 19.541 1.00 0.00 O ATOM 1164 CG2 THR A 88 38.906 21.160 17.943 1.00 0.00 C ATOM 0 H THR A 88 40.147 18.694 19.188 1.00 0.00 H new ATOM 0 HA THR A 88 40.536 19.712 16.537 1.00 0.00 H new ATOM 0 HB THR A 88 40.980 21.798 17.631 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.117 20.482 20.026 1.00 0.00 H new ATOM 0 HG21 THR A 88 38.570 22.106 18.368 1.00 0.00 H new ATOM 0 HG22 THR A 88 38.679 21.140 16.877 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.392 20.336 18.439 1.00 0.00 H new ATOM 1172 N GLY A 89 43.086 20.239 16.636 1.00 0.00 N ATOM 1173 CA GLY A 89 44.514 20.223 16.580 1.00 0.00 C ATOM 1174 C GLY A 89 45.136 21.330 17.359 1.00 0.00 C ATOM 1175 O GLY A 89 44.584 21.817 18.344 1.00 0.00 O ATOM 0 H GLY A 89 42.651 20.746 15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 89 44.877 19.268 16.961 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.833 20.293 15.540 1.00 0.00 H new ATOM 1179 N GLN A 90 46.341 21.769 16.953 1.00 0.00 N ATOM 1180 CA GLN A 90 47.084 22.786 17.631 1.00 0.00 C ATOM 1181 C GLN A 90 46.466 24.136 17.509 1.00 0.00 C ATOM 1182 O GLN A 90 46.232 24.810 18.512 1.00 0.00 O ATOM 1183 CB GLN A 90 48.548 22.786 17.159 1.00 0.00 C ATOM 1184 CG GLN A 90 49.541 23.382 18.159 1.00 0.00 C ATOM 1185 CD GLN A 90 49.565 22.565 19.444 1.00 0.00 C ATOM 1186 OE1 GLN A 90 49.701 21.342 19.436 1.00 0.00 O ATOM 1187 NE2 GLN A 90 49.395 23.253 20.604 1.00 0.00 N ATOM 0 H GLN A 90 46.814 21.404 16.126 1.00 0.00 H new ATOM 0 HA GLN A 90 47.062 22.545 18.694 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.845 21.760 16.940 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.615 23.344 16.225 1.00 0.00 H new ATOM 0 HG2 GLN A 90 50.538 23.406 17.719 1.00 0.00 H new ATOM 0 HG3 GLN A 90 49.266 24.413 18.382 1.00 0.00 H new ATOM 0 HE21 GLN A 90 49.284 24.267 20.584 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.378 22.755 21.494 1.00 0.00 H new ATOM 1196 N VAL A 91 46.142 24.564 16.276 1.00 0.00 N ATOM 1197 CA VAL A 91 45.297 25.691 16.028 1.00 0.00 C ATOM 1198 C VAL A 91 43.908 25.225 15.757 1.00 0.00 C ATOM 1199 O VAL A 91 43.652 24.253 15.048 1.00 0.00 O ATOM 1200 CB VAL A 91 45.815 26.607 14.959 1.00 0.00 C ATOM 1201 CG1 VAL A 91 45.797 25.969 13.561 1.00 0.00 C ATOM 1202 CG2 VAL A 91 45.053 27.943 14.960 1.00 0.00 C ATOM 0 H VAL A 91 46.478 24.112 15.425 1.00 0.00 H new ATOM 0 HA VAL A 91 45.292 26.304 16.930 1.00 0.00 H new ATOM 0 HB VAL A 91 46.860 26.800 15.200 1.00 0.00 H new ATOM 0 HG11 VAL A 91 46.183 26.681 12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 91 46.420 25.075 13.561 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.774 25.698 13.298 1.00 0.00 H new ATOM 0 HG21 VAL A 91 45.449 28.588 14.176 1.00 0.00 H new ATOM 0 HG22 VAL A 91 43.994 27.758 14.778 1.00 0.00 H new ATOM 0 HG23 VAL A 91 45.175 28.431 15.927 1.00 0.00 H new ATOM 1212 N VAL A 92 42.928 25.891 16.395 1.00 0.00 N ATOM 1213 CA VAL A 92 41.570 25.472 16.550 1.00 0.00 C ATOM 1214 C VAL A 92 40.671 26.518 15.984 1.00 0.00 C ATOM 1215 O VAL A 92 40.730 27.679 16.384 1.00 0.00 O ATOM 1216 CB VAL A 92 41.298 25.317 18.017 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.837 24.900 18.255 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.246 24.236 18.564 1.00 0.00 C ATOM 0 H VAL A 92 43.101 26.794 16.837 1.00 0.00 H new ATOM 0 HA VAL A 92 41.395 24.529 16.032 1.00 0.00 H new ATOM 0 HB VAL A 92 41.464 26.266 18.527 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.659 24.793 19.325 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.171 25.662 17.851 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.644 23.949 17.758 1.00 0.00 H new ATOM 0 HG21 VAL A 92 42.069 24.103 19.631 1.00 0.00 H new ATOM 0 HG22 VAL A 92 42.062 23.295 18.046 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.279 24.543 18.403 1.00 0.00 H new ATOM 1228 N HIS A 93 39.800 26.171 15.019 1.00 0.00 N ATOM 1229 CA HIS A 93 38.908 27.109 14.412 1.00 0.00 C ATOM 1230 C HIS A 93 37.537 26.998 14.984 1.00 0.00 C ATOM 1231 O HIS A 93 36.791 26.080 14.649 1.00 0.00 O ATOM 1232 CB HIS A 93 38.812 26.879 12.895 1.00 0.00 C ATOM 1233 CG HIS A 93 40.098 27.010 12.134 1.00 0.00 C ATOM 1234 ND1 HIS A 93 40.148 26.949 10.757 1.00 0.00 N ATOM 1235 CD2 HIS A 93 41.389 27.155 12.538 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.456 27.053 10.398 1.00 0.00 C ATOM 1237 NE2 HIS A 93 42.239 27.186 11.451 1.00 0.00 N ATOM 0 H HIS A 93 39.714 25.222 14.654 1.00 0.00 H new ATOM 0 HA HIS A 93 39.312 28.101 14.613 1.00 0.00 H new ATOM 0 HB2 HIS A 93 38.409 25.881 12.722 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.094 27.588 12.483 1.00 0.00 H new ATOM 0 HD2 HIS A 93 41.705 27.235 13.568 1.00 0.00 H new ATOM 0 HE1 HIS A 93 41.809 27.030 9.378 1.00 0.00 H new ATOM 0 HE2 HIS A 93 43.254 27.289 11.460 1.00 0.00 H new ATOM 1245 N LEU A 94 37.109 27.911 15.875 1.00 0.00 N ATOM 1246 CA LEU A 94 35.781 27.925 16.405 1.00 0.00 C ATOM 1247 C LEU A 94 34.911 28.935 15.740 1.00 0.00 C ATOM 1248 O LEU A 94 35.378 29.926 15.181 1.00 0.00 O ATOM 1249 CB LEU A 94 35.742 28.254 17.907 1.00 0.00 C ATOM 1250 CG LEU A 94 36.718 27.465 18.795 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.663 27.999 20.237 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.404 25.960 18.762 1.00 0.00 C ATOM 0 H LEU A 94 37.702 28.658 16.236 1.00 0.00 H new ATOM 0 HA LEU A 94 35.415 26.915 16.222 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.947 29.317 18.031 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.729 28.080 18.271 1.00 0.00 H new ATOM 0 HG LEU A 94 37.727 27.602 18.405 1.00 0.00 H new ATOM 0 HD11 LEU A 94 37.357 27.435 20.860 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.941 29.053 20.246 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.652 27.888 20.628 1.00 0.00 H new ATOM 0 HD21 LEU A 94 37.110 25.427 19.399 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.390 25.792 19.124 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.489 25.593 17.739 1.00 0.00 H new ATOM 1264 N LEU A 95 33.584 28.740 15.832 1.00 0.00 N ATOM 1265 CA LEU A 95 32.606 29.760 15.609 1.00 0.00 C ATOM 1266 C LEU A 95 31.709 29.775 16.798 1.00 0.00 C ATOM 1267 O LEU A 95 31.230 28.728 17.231 1.00 0.00 O ATOM 1268 CB LEU A 95 31.782 29.494 14.339 1.00 0.00 C ATOM 1269 CG LEU A 95 30.691 30.530 14.018 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.263 31.894 13.597 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.744 30.005 12.925 1.00 0.00 C ATOM 0 H LEU A 95 33.176 27.836 16.071 1.00 0.00 H new ATOM 0 HA LEU A 95 33.104 30.719 15.469 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.465 29.439 13.491 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.311 28.516 14.433 1.00 0.00 H new ATOM 0 HG LEU A 95 30.135 30.682 14.943 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.445 32.582 13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.875 32.297 14.404 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.876 31.772 12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.981 30.754 12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.313 29.801 12.018 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.267 29.087 13.267 1.00 0.00 H new ATOM 1283 N LEU A 96 31.442 30.947 17.400 1.00 0.00 N ATOM 1284 CA LEU A 96 30.524 31.027 18.494 1.00 0.00 C ATOM 1285 C LEU A 96 29.686 32.258 18.456 1.00 0.00 C ATOM 1286 O LEU A 96 29.938 33.181 17.683 1.00 0.00 O ATOM 1287 CB LEU A 96 31.160 30.792 19.875 1.00 0.00 C ATOM 1288 CG LEU A 96 32.055 31.847 20.547 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.204 32.365 19.665 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.272 32.987 21.221 1.00 0.00 C ATOM 0 H LEU A 96 31.860 31.837 17.131 1.00 0.00 H new ATOM 0 HA LEU A 96 29.851 30.183 18.347 1.00 0.00 H new ATOM 0 HB2 LEU A 96 30.343 30.585 20.567 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.752 29.880 19.798 1.00 0.00 H new ATOM 0 HG LEU A 96 32.539 31.295 21.353 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.783 33.104 20.219 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.851 31.534 19.385 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.794 32.825 18.766 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.971 33.691 21.673 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.667 33.503 20.476 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.622 32.575 21.993 1.00 0.00 H new ATOM 1302 N GLU A 97 28.630 32.277 19.287 1.00 0.00 N ATOM 1303 CA GLU A 97 27.713 33.368 19.413 1.00 0.00 C ATOM 1304 C GLU A 97 27.679 33.848 20.823 1.00 0.00 C ATOM 1305 O GLU A 97 27.799 33.074 21.772 1.00 0.00 O ATOM 1306 CB GLU A 97 26.307 32.913 18.984 1.00 0.00 C ATOM 1307 CG GLU A 97 25.270 34.017 18.775 1.00 0.00 C ATOM 1308 CD GLU A 97 23.897 33.412 18.511 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.346 32.763 19.439 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.347 33.573 17.389 1.00 0.00 O ATOM 0 H GLU A 97 28.404 31.494 19.901 1.00 0.00 H new ATOM 0 HA GLU A 97 28.041 34.185 18.770 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.399 32.350 18.055 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.926 32.224 19.738 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.229 34.658 19.656 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.564 34.647 17.936 1.00 0.00 H new ATOM 1317 N LYS A 98 27.454 35.162 21.005 1.00 0.00 N ATOM 1318 CA LYS A 98 27.375 35.843 22.260 1.00 0.00 C ATOM 1319 C LYS A 98 26.079 35.548 22.935 1.00 0.00 C ATOM 1320 O LYS A 98 25.001 35.692 22.359 1.00 0.00 O ATOM 1321 CB LYS A 98 27.447 37.356 21.996 1.00 0.00 C ATOM 1322 CG LYS A 98 27.039 38.299 23.130 1.00 0.00 C ATOM 1323 CD LYS A 98 27.927 38.240 24.374 1.00 0.00 C ATOM 1324 CE LYS A 98 29.168 39.130 24.287 1.00 0.00 C ATOM 1325 NZ LYS A 98 29.934 39.045 25.551 1.00 0.00 N ATOM 0 H LYS A 98 27.317 35.793 20.216 1.00 0.00 H new ATOM 0 HA LYS A 98 28.195 35.512 22.897 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.471 37.598 21.712 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.816 37.576 21.134 1.00 0.00 H new ATOM 0 HG2 LYS A 98 27.040 39.321 22.750 1.00 0.00 H new ATOM 0 HG3 LYS A 98 26.015 38.069 23.423 1.00 0.00 H new ATOM 0 HD2 LYS A 98 27.339 38.535 25.243 1.00 0.00 H new ATOM 0 HD3 LYS A 98 28.241 37.209 24.537 1.00 0.00 H new ATOM 0 HE2 LYS A 98 29.793 38.818 23.450 1.00 0.00 H new ATOM 0 HE3 LYS A 98 28.874 40.162 24.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 30.777 39.651 25.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 29.337 39.363 26.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.227 38.061 25.714 1.00 0.00 H new