USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 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 33 SER OG : rot -2:sc= 0.813 USER MOD Set 1.2: A 49 THR OG1 : rot -89:sc= 0.65 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.931 K(o=-0.93,f=-9.9!) USER MOD Set 2.2: A 19 SER OG : rot -160:sc= 0 USER MOD Single : A 2 SER OG : rot 27:sc= 0.142 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 9 SER OG : rot -160:sc=-0.00419 USER MOD Single : A 10 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.2!) USER MOD Single : A 16 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.14) USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.19 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 30 SER OG : rot 180:sc= -0.422 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 SER OG : rot 73:sc= 0.36 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 24:sc= 0.907 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 31:sc= 0.31 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 262 SER OG : rot 96:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.213 -1.789 0.075 1.00 0.00 N ATOM 45 CA SER A 2 123.448 -0.653 1.015 1.00 0.00 C ATOM 46 C SER A 2 122.323 0.377 0.884 1.00 0.00 C ATOM 47 O SER A 2 121.539 0.334 -0.047 1.00 0.00 O ATOM 48 CB SER A 2 124.782 -0.049 0.582 1.00 0.00 C ATOM 49 OG SER A 2 125.809 -1.020 0.734 1.00 0.00 O ATOM 0 HA SER A 2 123.467 -0.974 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.726 0.278 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.007 0.832 1.183 1.00 0.00 H new ATOM 0 HG SER A 2 125.425 -1.918 0.654 1.00 0.00 H new ATOM 55 N VAL A 3 122.239 1.302 1.811 1.00 0.00 N ATOM 56 CA VAL A 3 121.159 2.341 1.754 1.00 0.00 C ATOM 57 C VAL A 3 121.369 3.261 0.541 1.00 0.00 C ATOM 58 O VAL A 3 120.425 3.815 0.013 1.00 0.00 O ATOM 59 CB VAL A 3 121.273 3.127 3.070 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.218 4.243 3.112 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.044 2.183 4.255 1.00 0.00 C ATOM 0 H VAL A 3 122.873 1.383 2.606 1.00 0.00 H new ATOM 0 HA VAL A 3 120.170 1.898 1.643 1.00 0.00 H new ATOM 0 HB VAL A 3 122.269 3.566 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.308 4.793 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.374 4.923 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.222 3.805 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.125 2.743 5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.050 1.742 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.794 1.392 4.240 1.00 0.00 H new ATOM 71 N ALA A 4 122.598 3.429 0.101 1.00 0.00 N ATOM 72 CA ALA A 4 122.875 4.336 -1.068 1.00 0.00 C ATOM 73 C ALA A 4 122.031 3.919 -2.280 1.00 0.00 C ATOM 74 O ALA A 4 121.652 4.740 -3.096 1.00 0.00 O ATOM 75 CB ALA A 4 124.365 4.158 -1.375 1.00 0.00 C ATOM 0 H ALA A 4 123.421 2.978 0.500 1.00 0.00 H new ATOM 0 HA ALA A 4 122.625 5.373 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.641 4.790 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.953 4.441 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.563 3.115 -1.623 1.00 0.00 H new ATOM 81 N ASP A 5 121.740 2.647 -2.394 1.00 0.00 N ATOM 82 CA ASP A 5 120.825 2.170 -3.482 1.00 0.00 C ATOM 83 C ASP A 5 119.393 2.660 -3.224 1.00 0.00 C ATOM 84 O ASP A 5 118.635 2.889 -4.148 1.00 0.00 O ATOM 85 CB ASP A 5 120.884 0.641 -3.428 1.00 0.00 C ATOM 86 CG ASP A 5 122.290 0.164 -3.809 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.849 0.714 -4.744 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.782 -0.742 -3.158 1.00 0.00 O ATOM 0 H ASP A 5 122.097 1.915 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 5 121.124 2.550 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.630 0.293 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.148 0.215 -4.110 1.00 0.00 H new ATOM 93 N PHE A 6 119.024 2.820 -1.975 1.00 0.00 N ATOM 94 CA PHE A 6 117.632 3.260 -1.639 1.00 0.00 C ATOM 95 C PHE A 6 117.556 4.784 -1.432 1.00 0.00 C ATOM 96 O PHE A 6 116.550 5.294 -0.976 1.00 0.00 O ATOM 97 CB PHE A 6 117.286 2.526 -0.344 1.00 0.00 C ATOM 98 CG PHE A 6 117.173 1.029 -0.511 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.315 0.209 -0.337 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.927 0.446 -0.843 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.211 -1.194 -0.494 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.822 -0.959 -1.000 1.00 0.00 C ATOM 103 CZ PHE A 6 116.964 -1.778 -0.825 1.00 0.00 C ATOM 0 H PHE A 6 119.630 2.664 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 6 116.936 3.030 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.050 2.744 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.343 2.913 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.266 0.655 -0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.057 1.071 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.082 -1.819 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.871 -1.405 -1.253 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.884 -2.848 -0.944 1.00 0.00 H new ATOM 113 N TYR A 7 118.602 5.515 -1.759 1.00 0.00 N ATOM 114 CA TYR A 7 118.523 7.014 -1.701 1.00 0.00 C ATOM 115 C TYR A 7 117.553 7.532 -2.768 1.00 0.00 C ATOM 116 O TYR A 7 117.547 7.065 -3.893 1.00 0.00 O ATOM 117 CB TYR A 7 119.947 7.504 -2.011 1.00 0.00 C ATOM 118 CG TYR A 7 120.857 7.632 -0.801 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.601 6.895 0.384 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.984 8.491 -0.863 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.468 7.017 1.495 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.848 8.613 0.249 1.00 0.00 C ATOM 123 CZ TYR A 7 122.592 7.876 1.428 1.00 0.00 C ATOM 124 OH TYR A 7 123.442 7.994 2.508 1.00 0.00 O ATOM 0 H TYR A 7 119.501 5.140 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 7 118.166 7.366 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.406 6.816 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.883 8.474 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.744 6.240 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.183 9.054 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.273 6.454 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.704 9.269 0.198 1.00 0.00 H new ATOM 0 HH TYR A 7 124.161 8.624 2.291 1.00 0.00 H new ATOM 134 N GLY A 8 116.735 8.495 -2.418 1.00 0.00 N ATOM 135 CA GLY A 8 115.716 9.018 -3.381 1.00 0.00 C ATOM 136 C GLY A 8 114.461 8.127 -3.383 1.00 0.00 C ATOM 137 O GLY A 8 113.511 8.403 -4.093 1.00 0.00 O ATOM 0 H GLY A 8 116.730 8.943 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.443 10.038 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.142 9.057 -4.384 1.00 0.00 H new ATOM 141 N SER A 9 114.441 7.065 -2.605 1.00 0.00 N ATOM 142 CA SER A 9 113.219 6.200 -2.540 1.00 0.00 C ATOM 143 C SER A 9 112.142 6.861 -1.675 1.00 0.00 C ATOM 144 O SER A 9 112.428 7.396 -0.618 1.00 0.00 O ATOM 145 CB SER A 9 113.685 4.893 -1.895 1.00 0.00 C ATOM 146 OG SER A 9 114.650 4.273 -2.735 1.00 0.00 O ATOM 0 H SER A 9 115.216 6.763 -2.015 1.00 0.00 H new ATOM 0 HA SER A 9 112.783 6.038 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.115 5.091 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 9 112.836 4.226 -1.743 1.00 0.00 H new ATOM 0 HG SER A 9 114.717 3.322 -2.510 1.00 0.00 H new ATOM 152 N ASN A 10 110.909 6.828 -2.117 1.00 0.00 N ATOM 153 CA ASN A 10 109.783 7.321 -1.261 1.00 0.00 C ATOM 154 C ASN A 10 109.332 6.209 -0.316 1.00 0.00 C ATOM 155 O ASN A 10 108.865 5.168 -0.745 1.00 0.00 O ATOM 156 CB ASN A 10 108.659 7.683 -2.233 1.00 0.00 C ATOM 157 CG ASN A 10 107.703 8.674 -1.565 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.443 8.584 -0.382 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.166 9.625 -2.280 1.00 0.00 N ATOM 0 H ASN A 10 110.632 6.480 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 10 110.073 8.175 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.076 8.120 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.118 6.785 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.528 10.292 -1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.384 9.701 -3.274 1.00 0.00 H new ATOM 166 N VAL A 11 109.471 6.426 0.964 1.00 0.00 N ATOM 167 CA VAL A 11 109.093 5.377 1.957 1.00 0.00 C ATOM 168 C VAL A 11 108.467 6.041 3.183 1.00 0.00 C ATOM 169 O VAL A 11 108.618 7.232 3.391 1.00 0.00 O ATOM 170 CB VAL A 11 110.404 4.655 2.321 1.00 0.00 C ATOM 171 CG1 VAL A 11 110.990 3.983 1.074 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.426 5.655 2.884 1.00 0.00 C ATOM 0 H VAL A 11 109.832 7.290 1.368 1.00 0.00 H new ATOM 0 HA VAL A 11 108.360 4.672 1.563 1.00 0.00 H new ATOM 0 HB VAL A 11 110.187 3.901 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.917 3.474 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.276 3.258 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.194 4.739 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.347 5.130 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.637 6.419 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.019 6.126 3.779 1.00 0.00 H new ATOM 182 N GLU A 12 107.768 5.287 3.995 1.00 0.00 N ATOM 183 CA GLU A 12 107.194 5.872 5.242 1.00 0.00 C ATOM 184 C GLU A 12 107.939 5.328 6.462 1.00 0.00 C ATOM 185 O GLU A 12 108.129 4.137 6.605 1.00 0.00 O ATOM 186 CB GLU A 12 105.732 5.412 5.255 1.00 0.00 C ATOM 187 CG GLU A 12 104.991 6.079 6.418 1.00 0.00 C ATOM 188 CD GLU A 12 103.500 5.742 6.341 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.182 4.598 6.064 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.700 6.636 6.562 1.00 0.00 O ATOM 0 H GLU A 12 107.572 4.297 3.848 1.00 0.00 H new ATOM 0 HA GLU A 12 107.279 6.958 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.252 5.668 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.683 4.328 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.402 5.737 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.132 7.159 6.380 1.00 0.00 H new ATOM 197 N VAL A 13 108.365 6.201 7.339 1.00 0.00 N ATOM 198 CA VAL A 13 109.109 5.756 8.554 1.00 0.00 C ATOM 199 C VAL A 13 108.211 5.884 9.790 1.00 0.00 C ATOM 200 O VAL A 13 107.657 6.935 10.056 1.00 0.00 O ATOM 201 CB VAL A 13 110.311 6.709 8.654 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.173 6.331 9.861 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.165 6.607 7.385 1.00 0.00 C ATOM 0 H VAL A 13 108.228 7.209 7.264 1.00 0.00 H new ATOM 0 HA VAL A 13 109.423 4.714 8.494 1.00 0.00 H new ATOM 0 HB VAL A 13 109.942 7.728 8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.024 7.009 9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.578 6.405 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.533 5.309 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.015 7.285 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.526 5.585 7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.563 6.879 6.518 1.00 0.00 H new ATOM 213 N LEU A 14 108.068 4.821 10.542 1.00 0.00 N ATOM 214 CA LEU A 14 107.273 4.887 11.804 1.00 0.00 C ATOM 215 C LEU A 14 108.217 5.121 12.987 1.00 0.00 C ATOM 216 O LEU A 14 109.211 4.433 13.140 1.00 0.00 O ATOM 217 CB LEU A 14 106.592 3.518 11.913 1.00 0.00 C ATOM 218 CG LEU A 14 105.684 3.481 13.146 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.436 4.325 12.890 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.270 2.036 13.430 1.00 0.00 C ATOM 0 H LEU A 14 108.470 3.907 10.334 1.00 0.00 H new ATOM 0 HA LEU A 14 106.545 5.698 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 106.007 3.321 11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.345 2.733 11.982 1.00 0.00 H new ATOM 0 HG LEU A 14 106.223 3.882 14.004 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.791 4.297 13.769 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.729 5.355 12.687 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.896 3.925 12.031 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.624 2.008 14.307 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.732 1.636 12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.159 1.433 13.615 1.00 0.00 H new ATOM 232 N LEU A 15 107.915 6.084 13.820 1.00 0.00 N ATOM 233 CA LEU A 15 108.859 6.450 14.922 1.00 0.00 C ATOM 234 C LEU A 15 108.456 5.777 16.239 1.00 0.00 C ATOM 235 O LEU A 15 107.327 5.357 16.416 1.00 0.00 O ATOM 236 CB LEU A 15 108.760 7.971 15.041 1.00 0.00 C ATOM 237 CG LEU A 15 109.327 8.626 13.779 1.00 0.00 C ATOM 238 CD1 LEU A 15 108.972 10.113 13.771 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.849 8.468 13.760 1.00 0.00 C ATOM 0 H LEU A 15 107.056 6.633 13.786 1.00 0.00 H new ATOM 0 HA LEU A 15 109.876 6.120 14.709 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.720 8.267 15.180 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.309 8.313 15.918 1.00 0.00 H new ATOM 0 HG LEU A 15 108.900 8.145 12.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.376 10.579 12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.888 10.228 13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.398 10.594 14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.252 8.935 12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.276 8.948 14.641 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.105 7.408 13.765 1.00 0.00 H new ATOM 251 N ASN A 16 109.385 5.677 17.165 1.00 0.00 N ATOM 252 CA ASN A 16 109.104 5.003 18.482 1.00 0.00 C ATOM 253 C ASN A 16 107.938 5.679 19.224 1.00 0.00 C ATOM 254 O ASN A 16 107.309 5.079 20.076 1.00 0.00 O ATOM 255 CB ASN A 16 110.404 5.135 19.295 1.00 0.00 C ATOM 256 CG ASN A 16 110.789 6.612 19.461 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.028 7.394 19.995 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.946 7.024 19.022 1.00 0.00 N ATOM 0 H ASN A 16 110.334 6.036 17.065 1.00 0.00 H new ATOM 0 HA ASN A 16 108.812 3.963 18.337 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.275 4.675 20.275 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.209 4.598 18.794 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.212 8.003 19.127 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.585 6.367 18.574 1.00 0.00 H new ATOM 265 N ASN A 17 107.650 6.918 18.905 1.00 0.00 N ATOM 266 CA ASN A 17 106.570 7.661 19.629 1.00 0.00 C ATOM 267 C ASN A 17 105.225 7.525 18.892 1.00 0.00 C ATOM 268 O ASN A 17 104.354 8.362 19.033 1.00 0.00 O ATOM 269 CB ASN A 17 107.039 9.126 19.664 1.00 0.00 C ATOM 270 CG ASN A 17 107.151 9.702 18.243 1.00 0.00 C ATOM 271 OD1 ASN A 17 107.266 8.970 17.280 1.00 0.00 O ATOM 272 ND2 ASN A 17 107.122 10.996 18.076 1.00 0.00 N ATOM 0 H ASN A 17 108.119 7.449 18.171 1.00 0.00 H new ATOM 0 HA ASN A 17 106.407 7.268 20.633 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.338 9.722 20.248 1.00 0.00 H new ATOM 0 HB3 ASN A 17 108.006 9.190 20.164 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.196 11.391 17.138 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.026 11.612 18.883 1.00 0.00 H new ATOM 279 N ASP A 18 105.056 6.479 18.102 1.00 0.00 N ATOM 280 CA ASP A 18 103.742 6.216 17.416 1.00 0.00 C ATOM 281 C ASP A 18 103.360 7.394 16.508 1.00 0.00 C ATOM 282 O ASP A 18 102.192 7.646 16.273 1.00 0.00 O ATOM 283 CB ASP A 18 102.699 6.032 18.532 1.00 0.00 C ATOM 284 CG ASP A 18 103.062 4.811 19.383 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.459 3.809 18.810 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.936 4.900 20.593 1.00 0.00 O ATOM 0 H ASP A 18 105.782 5.791 17.903 1.00 0.00 H new ATOM 0 HA ASP A 18 103.800 5.332 16.782 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.660 6.924 19.157 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.707 5.903 18.098 1.00 0.00 H new ATOM 291 N SER A 19 104.335 8.115 16.001 1.00 0.00 N ATOM 292 CA SER A 19 104.046 9.158 14.973 1.00 0.00 C ATOM 293 C SER A 19 104.463 8.645 13.593 1.00 0.00 C ATOM 294 O SER A 19 105.477 7.985 13.451 1.00 0.00 O ATOM 295 CB SER A 19 104.895 10.363 15.379 1.00 0.00 C ATOM 296 OG SER A 19 104.538 10.767 16.693 1.00 0.00 O ATOM 0 H SER A 19 105.318 8.023 16.258 1.00 0.00 H new ATOM 0 HA SER A 19 102.988 9.413 14.919 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.954 10.106 15.340 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.740 11.184 14.679 1.00 0.00 H new ATOM 0 HG SER A 19 104.826 11.692 16.840 1.00 0.00 H new ATOM 302 N LYS A 20 103.692 8.945 12.578 1.00 0.00 N ATOM 303 CA LYS A 20 103.989 8.404 11.218 1.00 0.00 C ATOM 304 C LYS A 20 104.475 9.519 10.291 1.00 0.00 C ATOM 305 O LYS A 20 104.008 10.642 10.363 1.00 0.00 O ATOM 306 CB LYS A 20 102.653 7.852 10.716 1.00 0.00 C ATOM 307 CG LYS A 20 102.256 6.630 11.545 1.00 0.00 C ATOM 308 CD LYS A 20 100.934 6.065 11.024 1.00 0.00 C ATOM 309 CE LYS A 20 100.481 4.910 11.920 1.00 0.00 C ATOM 310 NZ LYS A 20 99.838 5.563 13.094 1.00 0.00 N ATOM 0 H LYS A 20 102.868 9.543 12.634 1.00 0.00 H new ATOM 0 HA LYS A 20 104.772 7.646 11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.882 8.619 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.734 7.579 9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.036 5.870 11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.157 6.907 12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.174 6.846 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.055 5.717 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 99.781 4.257 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.326 4.292 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.180 5.118 13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.079 6.575 13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.806 5.453 13.030 1.00 0.00 H new ATOM 324 N ALA A 21 105.408 9.215 9.422 1.00 0.00 N ATOM 325 CA ALA A 21 105.877 10.233 8.430 1.00 0.00 C ATOM 326 C ALA A 21 106.410 9.542 7.171 1.00 0.00 C ATOM 327 O ALA A 21 106.840 8.407 7.219 1.00 0.00 O ATOM 328 CB ALA A 21 106.997 10.996 9.141 1.00 0.00 C ATOM 0 H ALA A 21 105.865 8.306 9.357 1.00 0.00 H new ATOM 0 HA ALA A 21 105.073 10.896 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.394 11.763 8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.602 11.466 10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.794 10.303 9.412 1.00 0.00 H new ATOM 334 N ARG A 22 106.380 10.221 6.049 1.00 0.00 N ATOM 335 CA ARG A 22 106.934 9.630 4.789 1.00 0.00 C ATOM 336 C ARG A 22 107.603 10.713 3.939 1.00 0.00 C ATOM 337 O ARG A 22 107.277 11.881 4.042 1.00 0.00 O ATOM 338 CB ARG A 22 105.729 9.017 4.058 1.00 0.00 C ATOM 339 CG ARG A 22 104.684 10.096 3.743 1.00 0.00 C ATOM 340 CD ARG A 22 103.400 9.432 3.234 1.00 0.00 C ATOM 341 NE ARG A 22 102.500 10.562 2.833 1.00 0.00 N ATOM 342 CZ ARG A 22 101.458 10.366 2.048 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.156 9.174 1.586 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.706 11.383 1.723 1.00 0.00 N ATOM 0 H ARG A 22 105.995 11.161 5.951 1.00 0.00 H new ATOM 0 HA ARG A 22 107.699 8.880 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.060 8.542 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.281 8.237 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.472 10.684 4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.072 10.785 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.606 8.775 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.940 8.820 4.010 1.00 0.00 H new ATOM 0 HE ARG A 22 102.698 11.503 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.733 8.370 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.344 9.052 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.927 12.314 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.897 11.246 1.117 1.00 0.00 H new ATOM 358 N GLY A 23 108.539 10.329 3.104 1.00 0.00 N ATOM 359 CA GLY A 23 109.253 11.332 2.258 1.00 0.00 C ATOM 360 C GLY A 23 110.137 10.600 1.246 1.00 0.00 C ATOM 361 O GLY A 23 110.302 9.395 1.319 1.00 0.00 O ATOM 0 H GLY A 23 108.838 9.363 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.534 11.965 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.861 11.986 2.883 1.00 0.00 H new ATOM 365 N VAL A 24 110.703 11.315 0.304 1.00 0.00 N ATOM 366 CA VAL A 24 111.680 10.682 -0.638 1.00 0.00 C ATOM 367 C VAL A 24 113.099 10.900 -0.106 1.00 0.00 C ATOM 368 O VAL A 24 113.547 12.019 0.047 1.00 0.00 O ATOM 369 CB VAL A 24 111.491 11.402 -1.985 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.372 10.743 -3.050 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.025 11.311 -2.429 1.00 0.00 C ATOM 0 H VAL A 24 110.531 12.308 0.146 1.00 0.00 H new ATOM 0 HA VAL A 24 111.522 9.609 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 24 111.772 12.448 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.236 11.255 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.418 10.809 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.091 9.695 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.901 11.823 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.743 10.264 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.388 11.781 -1.680 1.00 0.00 H new ATOM 381 N ILE A 25 113.802 9.830 0.170 1.00 0.00 N ATOM 382 CA ILE A 25 115.085 9.942 0.946 1.00 0.00 C ATOM 383 C ILE A 25 116.120 10.761 0.165 1.00 0.00 C ATOM 384 O ILE A 25 116.200 10.688 -1.046 1.00 0.00 O ATOM 385 CB ILE A 25 115.567 8.492 1.149 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.538 7.721 1.986 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.919 8.476 1.878 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.788 6.217 1.851 1.00 0.00 C ATOM 0 H ILE A 25 113.547 8.882 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 25 114.942 10.454 1.897 1.00 0.00 H new ATOM 0 HB ILE A 25 115.681 8.022 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.609 8.019 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.529 7.963 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.247 7.445 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.658 9.016 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.813 8.955 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.056 5.672 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.695 5.925 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.792 5.982 2.205 1.00 0.00 H new ATOM 400 N THR A 26 116.909 11.542 0.865 1.00 0.00 N ATOM 401 CA THR A 26 117.948 12.375 0.187 1.00 0.00 C ATOM 402 C THR A 26 119.355 12.041 0.700 1.00 0.00 C ATOM 403 O THR A 26 120.324 12.235 -0.012 1.00 0.00 O ATOM 404 CB THR A 26 117.588 13.831 0.511 1.00 0.00 C ATOM 405 OG1 THR A 26 117.127 13.930 1.853 1.00 0.00 O ATOM 406 CG2 THR A 26 116.496 14.315 -0.450 1.00 0.00 C ATOM 0 H THR A 26 116.876 11.637 1.880 1.00 0.00 H new ATOM 0 HA THR A 26 117.962 12.188 -0.887 1.00 0.00 H new ATOM 0 HB THR A 26 118.475 14.454 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.484 14.666 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.241 15.349 -0.219 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.859 14.251 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.610 13.689 -0.339 1.00 0.00 H new ATOM 414 N ASN A 27 119.494 11.541 1.917 1.00 0.00 N ATOM 415 CA ASN A 27 120.871 11.218 2.419 1.00 0.00 C ATOM 416 C ASN A 27 120.828 10.303 3.649 1.00 0.00 C ATOM 417 O ASN A 27 119.828 10.198 4.328 1.00 0.00 O ATOM 418 CB ASN A 27 121.492 12.570 2.785 1.00 0.00 C ATOM 419 CG ASN A 27 123.011 12.500 2.619 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.506 12.305 1.526 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.778 12.652 3.664 1.00 0.00 N ATOM 0 H ASN A 27 118.731 11.348 2.566 1.00 0.00 H new ATOM 0 HA ASN A 27 121.448 10.683 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.082 13.354 2.148 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.240 12.831 3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.792 12.607 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.363 12.816 4.581 1.00 0.00 H new ATOM 428 N PHE A 28 121.929 9.639 3.921 1.00 0.00 N ATOM 429 CA PHE A 28 122.090 8.883 5.206 1.00 0.00 C ATOM 430 C PHE A 28 123.571 8.861 5.596 1.00 0.00 C ATOM 431 O PHE A 28 124.423 8.506 4.803 1.00 0.00 O ATOM 432 CB PHE A 28 121.580 7.467 4.920 1.00 0.00 C ATOM 433 CG PHE A 28 121.741 6.513 6.085 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.834 6.559 7.173 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.801 5.572 6.086 1.00 0.00 C ATOM 436 CE1 PHE A 28 120.990 5.664 8.261 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.954 4.679 7.174 1.00 0.00 C ATOM 438 CZ PHE A 28 122.049 4.725 8.261 1.00 0.00 C ATOM 0 H PHE A 28 122.734 9.589 3.297 1.00 0.00 H new ATOM 0 HA PHE A 28 121.540 9.337 6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.526 7.519 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.113 7.066 4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.025 7.275 7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.492 5.536 5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.300 5.699 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.762 3.962 7.174 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.166 4.044 9.091 1.00 0.00 H new ATOM 448 N ASP A 29 123.876 9.237 6.813 1.00 0.00 N ATOM 449 CA ASP A 29 125.295 9.243 7.268 1.00 0.00 C ATOM 450 C ASP A 29 125.563 7.975 8.068 1.00 0.00 C ATOM 451 O ASP A 29 124.806 7.640 8.952 1.00 0.00 O ATOM 452 CB ASP A 29 125.423 10.480 8.159 1.00 0.00 C ATOM 453 CG ASP A 29 126.899 10.734 8.478 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.589 9.780 8.796 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.313 11.878 8.399 1.00 0.00 O ATOM 0 H ASP A 29 123.198 9.541 7.512 1.00 0.00 H new ATOM 0 HA ASP A 29 126.007 9.272 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.995 11.348 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.861 10.336 9.082 1.00 0.00 H new ATOM 460 N SER A 30 126.623 7.269 7.766 1.00 0.00 N ATOM 461 CA SER A 30 126.870 5.960 8.450 1.00 0.00 C ATOM 462 C SER A 30 127.264 6.180 9.912 1.00 0.00 C ATOM 463 O SER A 30 126.687 5.595 10.811 1.00 0.00 O ATOM 464 CB SER A 30 128.016 5.305 7.678 1.00 0.00 C ATOM 465 OG SER A 30 129.206 6.057 7.875 1.00 0.00 O ATOM 0 H SER A 30 127.326 7.539 7.079 1.00 0.00 H new ATOM 0 HA SER A 30 125.977 5.335 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.160 4.280 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 30 127.774 5.257 6.616 1.00 0.00 H new ATOM 0 HG SER A 30 129.943 5.638 7.383 1.00 0.00 H new ATOM 471 N SER A 31 128.239 7.022 10.157 1.00 0.00 N ATOM 472 CA SER A 31 128.743 7.216 11.558 1.00 0.00 C ATOM 473 C SER A 31 127.628 7.745 12.467 1.00 0.00 C ATOM 474 O SER A 31 127.498 7.330 13.605 1.00 0.00 O ATOM 475 CB SER A 31 129.869 8.246 11.448 1.00 0.00 C ATOM 476 OG SER A 31 130.668 8.194 12.623 1.00 0.00 O ATOM 0 H SER A 31 128.709 7.585 9.448 1.00 0.00 H new ATOM 0 HA SER A 31 129.088 6.278 11.993 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.480 8.041 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.453 9.245 11.321 1.00 0.00 H new ATOM 0 HG SER A 31 131.392 8.851 12.556 1.00 0.00 H new ATOM 482 N ASN A 32 126.828 8.654 11.970 1.00 0.00 N ATOM 483 CA ASN A 32 125.759 9.269 12.820 1.00 0.00 C ATOM 484 C ASN A 32 124.372 8.690 12.493 1.00 0.00 C ATOM 485 O ASN A 32 123.418 8.956 13.197 1.00 0.00 O ATOM 486 CB ASN A 32 125.799 10.764 12.487 1.00 0.00 C ATOM 487 CG ASN A 32 127.155 11.356 12.886 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.783 12.043 12.106 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.636 11.117 14.075 1.00 0.00 N ATOM 0 H ASN A 32 126.868 8.999 11.011 1.00 0.00 H new ATOM 0 HA ASN A 32 125.931 9.069 13.878 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.629 10.912 11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.998 11.283 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.538 11.507 14.348 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.110 10.540 14.731 1.00 0.00 H new ATOM 496 N SER A 33 124.250 7.905 11.435 1.00 0.00 N ATOM 497 CA SER A 33 122.904 7.391 10.988 1.00 0.00 C ATOM 498 C SER A 33 121.859 8.519 10.955 1.00 0.00 C ATOM 499 O SER A 33 120.915 8.535 11.725 1.00 0.00 O ATOM 500 CB SER A 33 122.529 6.292 11.992 1.00 0.00 C ATOM 501 OG SER A 33 122.067 6.875 13.204 1.00 0.00 O ATOM 0 H SER A 33 125.033 7.597 10.859 1.00 0.00 H new ATOM 0 HA SER A 33 122.938 6.999 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 33 121.755 5.651 11.569 1.00 0.00 H new ATOM 0 HB3 SER A 33 123.394 5.659 12.190 1.00 0.00 H new ATOM 0 HG SER A 33 122.126 7.851 13.141 1.00 0.00 H new ATOM 507 N ILE A 34 122.031 9.461 10.058 1.00 0.00 N ATOM 508 CA ILE A 34 121.096 10.633 10.006 1.00 0.00 C ATOM 509 C ILE A 34 120.465 10.710 8.614 1.00 0.00 C ATOM 510 O ILE A 34 121.159 10.751 7.618 1.00 0.00 O ATOM 511 CB ILE A 34 121.967 11.874 10.277 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.729 11.722 11.613 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.084 13.128 10.326 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.758 11.611 12.802 1.00 0.00 C ATOM 0 H ILE A 34 122.776 9.470 9.361 1.00 0.00 H new ATOM 0 HA ILE A 34 120.288 10.555 10.733 1.00 0.00 H new ATOM 0 HB ILE A 34 122.693 11.971 9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.362 10.836 11.574 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.388 12.578 11.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.705 14.003 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.571 13.249 9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.348 13.024 11.123 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.326 11.505 13.727 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.143 12.509 12.855 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.117 10.740 12.668 1.00 0.00 H new ATOM 526 N LEU A 35 119.158 10.740 8.543 1.00 0.00 N ATOM 527 CA LEU A 35 118.470 10.588 7.225 1.00 0.00 C ATOM 528 C LEU A 35 117.705 11.859 6.866 1.00 0.00 C ATOM 529 O LEU A 35 116.844 12.307 7.601 1.00 0.00 O ATOM 530 CB LEU A 35 117.503 9.420 7.421 1.00 0.00 C ATOM 531 CG LEU A 35 116.927 8.999 6.069 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.933 8.104 5.340 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.624 8.226 6.289 1.00 0.00 C ATOM 0 H LEU A 35 118.537 10.863 9.343 1.00 0.00 H new ATOM 0 HA LEU A 35 119.175 10.409 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.020 8.580 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.698 9.710 8.096 1.00 0.00 H new ATOM 0 HG LEU A 35 116.728 9.886 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.522 7.804 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.862 8.653 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.133 7.217 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.212 7.925 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.824 7.339 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.907 8.862 6.807 1.00 0.00 H new ATOM 545 N GLN A 36 118.020 12.440 5.737 1.00 0.00 N ATOM 546 CA GLN A 36 117.197 13.565 5.212 1.00 0.00 C ATOM 547 C GLN A 36 116.105 13.011 4.302 1.00 0.00 C ATOM 548 O GLN A 36 116.332 12.071 3.561 1.00 0.00 O ATOM 549 CB GLN A 36 118.168 14.437 4.414 1.00 0.00 C ATOM 550 CG GLN A 36 119.128 15.141 5.374 1.00 0.00 C ATOM 551 CD GLN A 36 120.096 16.021 4.580 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.718 16.627 3.595 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.339 16.118 4.967 1.00 0.00 N ATOM 0 H GLN A 36 118.816 12.181 5.155 1.00 0.00 H new ATOM 0 HA GLN A 36 116.709 14.133 6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.728 13.824 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.616 15.173 3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.567 15.749 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.683 14.404 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.657 15.611 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.992 16.701 4.444 1.00 0.00 H new ATOM 562 N LEU A 37 114.926 13.583 4.350 1.00 0.00 N ATOM 563 CA LEU A 37 113.817 13.108 3.467 1.00 0.00 C ATOM 564 C LEU A 37 113.129 14.306 2.810 1.00 0.00 C ATOM 565 O LEU A 37 112.655 15.203 3.483 1.00 0.00 O ATOM 566 CB LEU A 37 112.842 12.382 4.402 1.00 0.00 C ATOM 567 CG LEU A 37 113.212 10.901 4.503 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.665 10.327 5.811 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.600 10.142 3.325 1.00 0.00 C ATOM 0 H LEU A 37 114.684 14.360 4.965 1.00 0.00 H new ATOM 0 HA LEU A 37 114.173 12.458 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.867 12.839 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.823 12.485 4.029 1.00 0.00 H new ATOM 0 HG LEU A 37 114.297 10.796 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.928 9.272 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 37 113.096 10.867 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.580 10.432 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.863 9.087 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.515 10.248 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 37 112.985 10.550 2.390 1.00 0.00 H new ATOM 581 N ARG A 38 113.073 14.323 1.501 1.00 0.00 N ATOM 582 CA ARG A 38 112.289 15.384 0.795 1.00 0.00 C ATOM 583 C ARG A 38 110.947 14.824 0.313 1.00 0.00 C ATOM 584 O ARG A 38 110.889 14.090 -0.654 1.00 0.00 O ATOM 585 CB ARG A 38 113.150 15.791 -0.402 1.00 0.00 C ATOM 586 CG ARG A 38 114.225 16.784 0.053 1.00 0.00 C ATOM 587 CD ARG A 38 114.674 17.645 -1.135 1.00 0.00 C ATOM 588 NE ARG A 38 115.292 16.693 -2.117 1.00 0.00 N ATOM 589 CZ ARG A 38 116.089 17.119 -3.079 1.00 0.00 C ATOM 590 NH1 ARG A 38 116.369 18.393 -3.232 1.00 0.00 N ATOM 591 NH2 ARG A 38 116.607 16.250 -3.904 1.00 0.00 N ATOM 0 H ARG A 38 113.536 13.649 0.891 1.00 0.00 H new ATOM 0 HA ARG A 38 112.069 16.228 1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 38 113.617 14.910 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 38 112.527 16.242 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 38 113.833 17.420 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 38 115.078 16.246 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 38 113.829 18.171 -1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 38 115.391 18.403 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 38 115.092 15.696 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 38 115.967 19.083 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 38 116.989 18.692 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 38 116.394 15.258 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 38 117.225 16.563 -4.653 1.00 0.00 H new ATOM 605 N LEU A 39 109.873 15.164 0.979 1.00 0.00 N ATOM 606 CA LEU A 39 108.537 14.614 0.587 1.00 0.00 C ATOM 607 C LEU A 39 107.922 15.451 -0.547 1.00 0.00 C ATOM 608 O LEU A 39 108.262 16.607 -0.736 1.00 0.00 O ATOM 609 CB LEU A 39 107.693 14.689 1.871 1.00 0.00 C ATOM 610 CG LEU A 39 106.251 14.207 1.630 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.226 12.751 1.144 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.487 14.294 2.949 1.00 0.00 C ATOM 0 H LEU A 39 109.862 15.799 1.777 1.00 0.00 H new ATOM 0 HA LEU A 39 108.597 13.595 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.156 14.080 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.678 15.715 2.238 1.00 0.00 H new ATOM 0 HG LEU A 39 105.795 14.835 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.194 12.439 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.780 12.670 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.686 12.109 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.462 13.956 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.972 13.662 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.481 15.326 3.299 1.00 0.00 H new ATOM 624 N ALA A 40 107.014 14.862 -1.295 1.00 0.00 N ATOM 625 CA ALA A 40 106.494 15.516 -2.545 1.00 0.00 C ATOM 626 C ALA A 40 105.689 16.791 -2.240 1.00 0.00 C ATOM 627 O ALA A 40 105.245 17.467 -3.149 1.00 0.00 O ATOM 628 CB ALA A 40 105.589 14.468 -3.200 1.00 0.00 C ATOM 0 H ALA A 40 106.607 13.949 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 40 107.316 15.827 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.171 14.873 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.172 13.575 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.780 14.209 -2.518 1.00 0.00 H new ATOM 634 N ASN A 41 105.495 17.129 -0.985 1.00 0.00 N ATOM 635 CA ASN A 41 104.869 18.448 -0.646 1.00 0.00 C ATOM 636 C ASN A 41 105.929 19.565 -0.610 1.00 0.00 C ATOM 637 O ASN A 41 105.783 20.531 0.116 1.00 0.00 O ATOM 638 CB ASN A 41 104.249 18.255 0.742 1.00 0.00 C ATOM 639 CG ASN A 41 103.095 17.254 0.655 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.360 17.236 -0.313 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.901 16.414 1.635 1.00 0.00 N ATOM 0 H ASN A 41 105.743 16.549 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 41 104.128 18.745 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.004 17.895 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.888 19.209 1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 41 102.134 15.744 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 41 103.517 16.428 2.448 1.00 0.00 H new ATOM 648 N ASP A 42 107.001 19.444 -1.383 1.00 0.00 N ATOM 649 CA ASP A 42 108.014 20.550 -1.501 1.00 0.00 C ATOM 650 C ASP A 42 108.616 20.874 -0.127 1.00 0.00 C ATOM 651 O ASP A 42 108.981 22.004 0.140 1.00 0.00 O ATOM 652 CB ASP A 42 107.259 21.767 -2.060 1.00 0.00 C ATOM 653 CG ASP A 42 106.729 21.449 -3.462 1.00 0.00 C ATOM 654 OD1 ASP A 42 107.458 20.837 -4.226 1.00 0.00 O ATOM 655 OD2 ASP A 42 105.603 21.823 -3.747 1.00 0.00 O ATOM 0 H ASP A 42 107.213 18.616 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 42 108.839 20.264 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.432 22.029 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.922 22.631 -2.099 1.00 0.00 H new ATOM 660 N SER A 43 108.721 19.891 0.747 1.00 0.00 N ATOM 661 CA SER A 43 109.322 20.151 2.092 1.00 0.00 C ATOM 662 C SER A 43 110.467 19.171 2.367 1.00 0.00 C ATOM 663 O SER A 43 110.368 17.992 2.079 1.00 0.00 O ATOM 664 CB SER A 43 108.180 19.930 3.083 1.00 0.00 C ATOM 665 OG SER A 43 107.123 20.833 2.789 1.00 0.00 O ATOM 0 H SER A 43 108.418 18.931 0.584 1.00 0.00 H new ATOM 0 HA SER A 43 109.742 21.154 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.823 18.902 3.021 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.533 20.084 4.103 1.00 0.00 H new ATOM 0 HG SER A 43 106.663 20.544 1.973 1.00 0.00 H new ATOM 671 N THR A 44 111.549 19.659 2.921 1.00 0.00 N ATOM 672 CA THR A 44 112.668 18.755 3.334 1.00 0.00 C ATOM 673 C THR A 44 112.636 18.536 4.851 1.00 0.00 C ATOM 674 O THR A 44 112.188 19.389 5.595 1.00 0.00 O ATOM 675 CB THR A 44 113.959 19.480 2.906 1.00 0.00 C ATOM 676 OG1 THR A 44 115.080 18.675 3.243 1.00 0.00 O ATOM 677 CG2 THR A 44 114.084 20.845 3.604 1.00 0.00 C ATOM 0 H THR A 44 111.707 20.650 3.106 1.00 0.00 H new ATOM 0 HA THR A 44 112.595 17.770 2.873 1.00 0.00 H new ATOM 0 HB THR A 44 113.923 19.646 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.904 19.131 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.004 21.335 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.230 21.468 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.107 20.701 4.684 1.00 0.00 H new ATOM 685 N LYS A 45 113.107 17.403 5.311 1.00 0.00 N ATOM 686 CA LYS A 45 113.125 17.140 6.784 1.00 0.00 C ATOM 687 C LYS A 45 114.303 16.242 7.159 1.00 0.00 C ATOM 688 O LYS A 45 114.455 15.151 6.641 1.00 0.00 O ATOM 689 CB LYS A 45 111.798 16.443 7.084 1.00 0.00 C ATOM 690 CG LYS A 45 110.704 17.496 7.261 1.00 0.00 C ATOM 691 CD LYS A 45 109.420 16.822 7.749 1.00 0.00 C ATOM 692 CE LYS A 45 108.300 17.861 7.838 1.00 0.00 C ATOM 693 NZ LYS A 45 107.279 17.250 8.734 1.00 0.00 N ATOM 0 H LYS A 45 113.479 16.650 4.732 1.00 0.00 H new ATOM 0 HA LYS A 45 113.241 18.059 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.538 15.765 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.887 15.839 7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 45 111.025 18.252 7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 45 110.522 18.009 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.135 16.022 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.585 16.365 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.667 18.804 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 45 107.883 18.078 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 106.478 17.904 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 106.943 16.357 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.702 17.061 9.665 1.00 0.00 H new ATOM 707 N SER A 46 115.136 16.700 8.062 1.00 0.00 N ATOM 708 CA SER A 46 116.285 15.867 8.529 1.00 0.00 C ATOM 709 C SER A 46 115.926 15.162 9.840 1.00 0.00 C ATOM 710 O SER A 46 115.654 15.802 10.840 1.00 0.00 O ATOM 711 CB SER A 46 117.427 16.858 8.749 1.00 0.00 C ATOM 712 OG SER A 46 117.103 17.713 9.838 1.00 0.00 O ATOM 0 H SER A 46 115.068 17.620 8.497 1.00 0.00 H new ATOM 0 HA SER A 46 116.552 15.090 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.354 16.323 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.593 17.446 7.846 1.00 0.00 H new ATOM 0 HG SER A 46 116.458 17.266 10.425 1.00 0.00 H new ATOM 718 N ILE A 47 115.924 13.852 9.840 1.00 0.00 N ATOM 719 CA ILE A 47 115.591 13.091 11.084 1.00 0.00 C ATOM 720 C ILE A 47 116.677 12.042 11.344 1.00 0.00 C ATOM 721 O ILE A 47 117.164 11.410 10.425 1.00 0.00 O ATOM 722 CB ILE A 47 114.231 12.424 10.811 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.175 13.498 10.513 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.792 11.619 12.040 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.910 12.835 9.964 1.00 0.00 C ATOM 0 H ILE A 47 116.140 13.274 9.028 1.00 0.00 H new ATOM 0 HA ILE A 47 115.541 13.731 11.965 1.00 0.00 H new ATOM 0 HB ILE A 47 114.330 11.759 9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.941 14.055 11.421 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.565 14.215 9.791 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.829 11.149 11.842 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.534 10.850 12.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.701 12.285 12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.161 13.599 9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.150 12.298 9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.517 12.135 10.701 1.00 0.00 H new ATOM 737 N VAL A 48 117.057 11.855 12.584 1.00 0.00 N ATOM 738 CA VAL A 48 118.093 10.823 12.901 1.00 0.00 C ATOM 739 C VAL A 48 117.423 9.442 12.976 1.00 0.00 C ATOM 740 O VAL A 48 116.452 9.253 13.681 1.00 0.00 O ATOM 741 CB VAL A 48 118.681 11.237 14.264 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.778 10.247 14.685 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.268 12.658 14.175 1.00 0.00 C ATOM 0 H VAL A 48 116.697 12.370 13.387 1.00 0.00 H new ATOM 0 HA VAL A 48 118.876 10.760 12.145 1.00 0.00 H new ATOM 0 HB VAL A 48 117.885 11.226 15.009 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.188 10.547 15.649 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.353 9.246 14.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.572 10.244 13.938 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.681 12.942 15.143 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.057 12.679 13.423 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.482 13.360 13.896 1.00 0.00 H new ATOM 753 N THR A 49 117.944 8.481 12.251 1.00 0.00 N ATOM 754 CA THR A 49 117.241 7.162 12.107 1.00 0.00 C ATOM 755 C THR A 49 117.051 6.465 13.457 1.00 0.00 C ATOM 756 O THR A 49 116.130 5.688 13.633 1.00 0.00 O ATOM 757 CB THR A 49 118.150 6.321 11.207 1.00 0.00 C ATOM 758 OG1 THR A 49 119.464 6.303 11.747 1.00 0.00 O ATOM 759 CG2 THR A 49 118.180 6.920 9.798 1.00 0.00 C ATOM 0 H THR A 49 118.830 8.552 11.750 1.00 0.00 H new ATOM 0 HA THR A 49 116.242 7.296 11.692 1.00 0.00 H new ATOM 0 HB THR A 49 117.765 5.303 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 49 119.974 7.062 11.393 1.00 0.00 H new ATOM 0 HG21 THR A 49 118.828 6.318 9.161 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.171 6.929 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.562 7.940 9.844 1.00 0.00 H new ATOM 767 N LYS A 50 117.911 6.733 14.406 1.00 0.00 N ATOM 768 CA LYS A 50 117.868 5.983 15.706 1.00 0.00 C ATOM 769 C LYS A 50 116.511 6.142 16.397 1.00 0.00 C ATOM 770 O LYS A 50 116.111 5.299 17.181 1.00 0.00 O ATOM 771 CB LYS A 50 118.983 6.586 16.568 1.00 0.00 C ATOM 772 CG LYS A 50 120.345 6.288 15.934 1.00 0.00 C ATOM 773 CD LYS A 50 120.672 4.801 16.091 1.00 0.00 C ATOM 774 CE LYS A 50 122.097 4.537 15.599 1.00 0.00 C ATOM 775 NZ LYS A 50 122.546 3.333 16.354 1.00 0.00 N ATOM 0 H LYS A 50 118.644 7.439 14.340 1.00 0.00 H new ATOM 0 HA LYS A 50 118.008 4.914 15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 50 118.842 7.663 16.660 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.942 6.171 17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 120.332 6.558 14.878 1.00 0.00 H new ATOM 0 HG3 LYS A 50 121.118 6.892 16.408 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.576 4.505 17.136 1.00 0.00 H new ATOM 0 HD3 LYS A 50 119.962 4.200 15.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 122.117 4.359 14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 50 122.747 5.390 15.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 123.517 3.088 16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 122.522 3.534 17.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 121.913 2.535 16.144 1.00 0.00 H new ATOM 789 N ASP A 51 115.803 7.207 16.118 1.00 0.00 N ATOM 790 CA ASP A 51 114.435 7.363 16.709 1.00 0.00 C ATOM 791 C ASP A 51 113.386 6.586 15.891 1.00 0.00 C ATOM 792 O ASP A 51 112.219 6.577 16.237 1.00 0.00 O ATOM 793 CB ASP A 51 114.136 8.874 16.710 1.00 0.00 C ATOM 794 CG ASP A 51 114.191 9.455 15.290 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.632 8.848 14.391 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.789 10.506 15.128 1.00 0.00 O ATOM 0 H ASP A 51 116.107 7.970 15.513 1.00 0.00 H new ATOM 0 HA ASP A 51 114.394 6.956 17.719 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.150 9.051 17.140 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.858 9.389 17.344 1.00 0.00 H new ATOM 801 N ILE A 52 113.785 5.933 14.816 1.00 0.00 N ATOM 802 CA ILE A 52 112.802 5.116 14.029 1.00 0.00 C ATOM 803 C ILE A 52 112.570 3.768 14.714 1.00 0.00 C ATOM 804 O ILE A 52 113.501 3.100 15.125 1.00 0.00 O ATOM 805 CB ILE A 52 113.433 4.917 12.639 1.00 0.00 C ATOM 806 CG1 ILE A 52 113.661 6.287 11.979 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.485 4.079 11.767 1.00 0.00 C ATOM 808 CD1 ILE A 52 114.363 6.112 10.625 1.00 0.00 C ATOM 0 H ILE A 52 114.739 5.932 14.455 1.00 0.00 H new ATOM 0 HA ILE A 52 111.833 5.610 13.956 1.00 0.00 H new ATOM 0 HB ILE A 52 114.388 4.401 12.741 1.00 0.00 H new ATOM 0 HG12 ILE A 52 112.707 6.795 11.839 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.265 6.917 12.632 1.00 0.00 H new ATOM 0 HG21 ILE A 52 112.928 3.936 10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.322 3.109 12.236 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.532 4.597 11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 52 114.519 7.089 10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.326 5.623 10.775 1.00 0.00 H new ATOM 0 HD13 ILE A 52 113.743 5.499 9.970 1.00 0.00 H new ATOM 820 N LYS A 53 111.328 3.372 14.837 1.00 0.00 N ATOM 821 CA LYS A 53 111.018 1.993 15.316 1.00 0.00 C ATOM 822 C LYS A 53 110.868 1.045 14.119 1.00 0.00 C ATOM 823 O LYS A 53 111.114 -0.140 14.233 1.00 0.00 O ATOM 824 CB LYS A 53 109.695 2.117 16.076 1.00 0.00 C ATOM 825 CG LYS A 53 109.381 0.794 16.779 1.00 0.00 C ATOM 826 CD LYS A 53 110.296 0.631 17.995 1.00 0.00 C ATOM 827 CE LYS A 53 109.943 -0.663 18.731 1.00 0.00 C ATOM 828 NZ LYS A 53 110.673 -0.580 20.026 1.00 0.00 N ATOM 0 H LYS A 53 110.513 3.948 14.625 1.00 0.00 H new ATOM 0 HA LYS A 53 111.808 1.588 15.949 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.758 2.923 16.807 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.891 2.374 15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.337 0.775 17.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.523 -0.039 16.090 1.00 0.00 H new ATOM 0 HD2 LYS A 53 111.339 0.609 17.678 1.00 0.00 H new ATOM 0 HD3 LYS A 53 110.184 1.484 18.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.868 -0.747 18.889 1.00 0.00 H new ATOM 0 HE3 LYS A 53 110.251 -1.539 18.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 110.481 -1.433 20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.695 -0.508 19.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 110.354 0.259 20.551 1.00 0.00 H new ATOM 842 N ASP A 54 110.473 1.563 12.973 1.00 0.00 N ATOM 843 CA ASP A 54 110.224 0.679 11.784 1.00 0.00 C ATOM 844 C ASP A 54 110.159 1.514 10.499 1.00 0.00 C ATOM 845 O ASP A 54 109.860 2.693 10.529 1.00 0.00 O ATOM 846 CB ASP A 54 108.871 0.004 12.047 1.00 0.00 C ATOM 847 CG ASP A 54 109.078 -1.314 12.797 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.438 -2.287 12.156 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.870 -1.327 13.999 1.00 0.00 O ATOM 0 H ASP A 54 110.313 2.557 12.812 1.00 0.00 H new ATOM 0 HA ASP A 54 111.023 -0.051 11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.232 0.667 12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.359 -0.182 11.103 1.00 0.00 H new ATOM 854 N LEU A 55 110.441 0.898 9.373 1.00 0.00 N ATOM 855 CA LEU A 55 110.364 1.623 8.066 1.00 0.00 C ATOM 856 C LEU A 55 109.601 0.780 7.038 1.00 0.00 C ATOM 857 O LEU A 55 109.542 -0.431 7.139 1.00 0.00 O ATOM 858 CB LEU A 55 111.817 1.808 7.619 1.00 0.00 C ATOM 859 CG LEU A 55 112.555 2.746 8.590 1.00 0.00 C ATOM 860 CD1 LEU A 55 113.333 1.920 9.620 1.00 0.00 C ATOM 861 CD2 LEU A 55 113.534 3.629 7.806 1.00 0.00 C ATOM 0 H LEU A 55 110.722 -0.080 9.305 1.00 0.00 H new ATOM 0 HA LEU A 55 109.841 2.575 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.320 0.842 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.845 2.221 6.611 1.00 0.00 H new ATOM 0 HG LEU A 55 111.826 3.373 9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 55 113.854 2.589 10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 55 112.640 1.293 10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.059 1.289 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 55 114.056 4.293 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 55 114.258 2.999 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 112.984 4.223 7.076 1.00 0.00 H new ATOM 873 N ARG A 56 109.021 1.418 6.050 1.00 0.00 N ATOM 874 CA ARG A 56 108.336 0.663 4.954 1.00 0.00 C ATOM 875 C ARG A 56 108.374 1.476 3.655 1.00 0.00 C ATOM 876 O ARG A 56 108.367 2.689 3.685 1.00 0.00 O ATOM 877 CB ARG A 56 106.890 0.469 5.435 1.00 0.00 C ATOM 878 CG ARG A 56 106.189 1.830 5.580 1.00 0.00 C ATOM 879 CD ARG A 56 104.753 1.622 6.070 1.00 0.00 C ATOM 880 NE ARG A 56 104.874 1.021 7.437 1.00 0.00 N ATOM 881 CZ ARG A 56 103.855 0.414 8.015 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.687 0.313 7.424 1.00 0.00 N ATOM 883 NH2 ARG A 56 104.012 -0.098 9.205 1.00 0.00 N ATOM 0 H ARG A 56 108.993 2.433 5.955 1.00 0.00 H new ATOM 0 HA ARG A 56 108.818 -0.292 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.345 -0.155 4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.885 -0.054 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.736 2.458 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.185 2.351 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.210 2.567 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.202 0.962 5.400 1.00 0.00 H new ATOM 0 HE ARG A 56 105.764 1.082 7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.550 0.709 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.917 -0.162 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.914 -0.026 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.233 -0.570 9.664 1.00 0.00 H new ATOM 897 N ILE A 57 108.416 0.819 2.525 1.00 0.00 N ATOM 898 CA ILE A 57 108.292 1.555 1.228 1.00 0.00 C ATOM 899 C ILE A 57 106.811 1.733 0.869 1.00 0.00 C ATOM 900 O ILE A 57 106.034 0.798 0.946 1.00 0.00 O ATOM 901 CB ILE A 57 109.004 0.692 0.175 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.455 0.422 0.604 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.010 1.444 -1.159 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.073 -0.639 -0.309 1.00 0.00 C ATOM 0 H ILE A 57 108.530 -0.191 2.442 1.00 0.00 H new ATOM 0 HA ILE A 57 108.736 2.549 1.284 1.00 0.00 H new ATOM 0 HB ILE A 57 108.479 -0.258 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.037 1.342 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.481 0.084 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.513 0.841 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 57 107.984 1.637 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.537 2.391 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.102 -0.828 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.497 -1.562 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.061 -0.284 -1.339 1.00 0.00 H new ATOM 916 N LEU A 58 106.419 2.923 0.477 1.00 0.00 N ATOM 917 CA LEU A 58 104.979 3.171 0.149 1.00 0.00 C ATOM 918 C LEU A 58 104.679 2.712 -1.288 1.00 0.00 C ATOM 919 O LEU A 58 105.546 2.779 -2.140 1.00 0.00 O ATOM 920 CB LEU A 58 104.787 4.684 0.278 1.00 0.00 C ATOM 921 CG LEU A 58 104.869 5.089 1.750 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.015 6.609 1.855 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.592 4.648 2.471 1.00 0.00 C ATOM 0 H LEU A 58 107.033 3.731 0.370 1.00 0.00 H new ATOM 0 HA LEU A 58 104.308 2.622 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.551 5.208 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.822 4.975 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 58 105.732 4.609 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.073 6.897 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.923 6.924 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.152 7.090 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.649 4.936 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.729 5.128 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.488 3.566 2.397 1.00 0.00 H new ATOM 1736 N SER B 257 112.108 -4.559 2.551 1.00 0.00 N ATOM 1737 CA SER B 257 111.790 -3.518 3.587 1.00 0.00 C ATOM 1738 C SER B 257 112.283 -3.970 4.966 1.00 0.00 C ATOM 1739 O SER B 257 112.740 -3.173 5.765 1.00 0.00 O ATOM 1740 CB SER B 257 110.264 -3.407 3.588 1.00 0.00 C ATOM 1741 OG SER B 257 109.812 -3.132 2.269 1.00 0.00 O ATOM 0 HA SER B 257 112.273 -2.566 3.367 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.821 -4.334 3.951 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.946 -2.615 4.266 1.00 0.00 H new ATOM 0 HG SER B 257 110.428 -3.535 1.622 1.00 0.00 H new ATOM 1747 N SER B 258 112.187 -5.248 5.237 1.00 0.00 N ATOM 1748 CA SER B 258 112.659 -5.781 6.555 1.00 0.00 C ATOM 1749 C SER B 258 114.186 -5.703 6.640 1.00 0.00 C ATOM 1750 O SER B 258 114.746 -5.476 7.697 1.00 0.00 O ATOM 1751 CB SER B 258 112.195 -7.238 6.597 1.00 0.00 C ATOM 1752 OG SER B 258 110.791 -7.290 6.382 1.00 0.00 O ATOM 0 H SER B 258 111.802 -5.947 4.602 1.00 0.00 H new ATOM 0 HA SER B 258 112.261 -5.208 7.392 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.713 -7.819 5.834 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.444 -7.683 7.560 1.00 0.00 H new ATOM 0 HG SER B 258 110.491 -8.223 6.407 1.00 0.00 H new ATOM 1758 N GLN B 259 114.862 -5.891 5.529 1.00 0.00 N ATOM 1759 CA GLN B 259 116.361 -5.832 5.530 1.00 0.00 C ATOM 1760 C GLN B 259 116.840 -4.421 5.888 1.00 0.00 C ATOM 1761 O GLN B 259 117.858 -4.251 6.532 1.00 0.00 O ATOM 1762 CB GLN B 259 116.788 -6.196 4.105 1.00 0.00 C ATOM 1763 CG GLN B 259 116.418 -7.652 3.813 1.00 0.00 C ATOM 1764 CD GLN B 259 116.904 -8.034 2.414 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.964 -7.616 1.989 1.00 0.00 O ATOM 1766 NE2 GLN B 259 116.171 -8.820 1.673 1.00 0.00 N ATOM 0 H GLN B 259 114.440 -6.083 4.621 1.00 0.00 H new ATOM 0 HA GLN B 259 116.791 -6.511 6.266 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.299 -5.536 3.389 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.862 -6.053 3.989 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.868 -8.309 4.557 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.338 -7.784 3.883 1.00 0.00 H new ATOM 0 HE21 GLN B 259 115.282 -9.172 2.027 1.00 0.00 H new ATOM 0 HE22 GLN B 259 116.488 -9.082 0.740 1.00 0.00 H new ATOM 1775 N LEU B 260 116.110 -3.413 5.473 1.00 0.00 N ATOM 1776 CA LEU B 260 116.508 -2.004 5.797 1.00 0.00 C ATOM 1777 C LEU B 260 116.398 -1.756 7.305 1.00 0.00 C ATOM 1778 O LEU B 260 117.252 -1.123 7.898 1.00 0.00 O ATOM 1779 CB LEU B 260 115.523 -1.114 5.035 1.00 0.00 C ATOM 1780 CG LEU B 260 115.771 -1.244 3.531 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.598 -0.630 2.765 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.061 -0.508 3.162 1.00 0.00 C ATOM 0 H LEU B 260 115.255 -3.504 4.924 1.00 0.00 H new ATOM 0 HA LEU B 260 117.540 -1.797 5.513 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.499 -1.403 5.271 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.641 -0.076 5.345 1.00 0.00 H new ATOM 0 HG LEU B 260 115.865 -2.298 3.268 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.775 -0.723 1.693 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.678 -1.153 3.028 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.504 0.424 3.027 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.239 -0.600 2.091 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.967 0.546 3.425 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.898 -0.945 3.707 1.00 0.00 H new ATOM 1794 N LEU B 261 115.352 -2.251 7.924 1.00 0.00 N ATOM 1795 CA LEU B 261 115.217 -2.103 9.409 1.00 0.00 C ATOM 1796 C LEU B 261 116.256 -2.979 10.114 1.00 0.00 C ATOM 1797 O LEU B 261 116.791 -2.612 11.145 1.00 0.00 O ATOM 1798 CB LEU B 261 113.793 -2.569 9.742 1.00 0.00 C ATOM 1799 CG LEU B 261 113.481 -2.285 11.217 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.433 -0.775 11.457 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.121 -2.893 11.574 1.00 0.00 C ATOM 0 H LEU B 261 114.588 -2.749 7.467 1.00 0.00 H new ATOM 0 HA LEU B 261 115.384 -1.078 9.739 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.074 -2.055 9.104 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.693 -3.635 9.539 1.00 0.00 H new ATOM 0 HG LEU B 261 114.260 -2.726 11.839 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.211 -0.580 12.506 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.397 -0.335 11.202 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.656 -0.332 10.834 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.897 -2.693 12.622 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.348 -2.450 10.946 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.149 -3.970 11.408 1.00 0.00 H new ATOM 1813 N SER B 262 116.544 -4.135 9.561 1.00 0.00 N ATOM 1814 CA SER B 262 117.596 -5.024 10.156 1.00 0.00 C ATOM 1815 C SER B 262 118.963 -4.330 10.128 1.00 0.00 C ATOM 1816 O SER B 262 119.750 -4.460 11.047 1.00 0.00 O ATOM 1817 CB SER B 262 117.619 -6.273 9.270 1.00 0.00 C ATOM 1818 OG SER B 262 116.310 -6.824 9.203 1.00 0.00 O ATOM 0 H SER B 262 116.095 -4.502 8.722 1.00 0.00 H new ATOM 0 HA SER B 262 117.381 -5.265 11.197 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.970 -6.018 8.270 1.00 0.00 H new ATOM 0 HB3 SER B 262 118.315 -7.008 9.675 1.00 0.00 H new ATOM 0 HG SER B 262 115.860 -6.500 8.395 1.00 0.00 H new ATOM 1824 N LEU B 263 119.245 -3.596 9.076 1.00 0.00 N ATOM 1825 CA LEU B 263 120.556 -2.872 8.986 1.00 0.00 C ATOM 1826 C LEU B 263 120.647 -1.800 10.077 1.00 0.00 C ATOM 1827 O LEU B 263 121.669 -1.641 10.718 1.00 0.00 O ATOM 1828 CB LEU B 263 120.566 -2.220 7.599 1.00 0.00 C ATOM 1829 CG LEU B 263 120.784 -3.291 6.528 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.238 -2.794 5.188 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.282 -3.579 6.391 1.00 0.00 C ATOM 0 H LEU B 263 118.625 -3.467 8.276 1.00 0.00 H new ATOM 0 HA LEU B 263 121.402 -3.545 9.125 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.623 -1.702 7.423 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.356 -1.471 7.544 1.00 0.00 H new ATOM 0 HG LEU B 263 120.262 -4.203 6.817 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.394 -3.558 4.426 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.172 -2.589 5.283 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.759 -1.881 4.899 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.438 -4.342 5.628 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.803 -2.666 6.103 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.673 -3.934 7.344 1.00 0.00 H new