USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 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 41 ASN : amide:sc= -1.92 K(o=-1.9,f=-11!) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.794 K(o=-0.79,f=-10!) USER MOD Set 2.2: A 19 SER OG : rot -179:sc= 0 USER MOD Single : A 2 SER OG : rot 28:sc= 0.15 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 9 SER OG : rot 180:sc= -0.13 USER MOD Single : A 10 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.9) USER MOD Single : A 16 ASN : amide:sc= -1.74 K(o=-1.7,f=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0816) USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.46 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00268 USER MOD Single : A 32 ASN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0577) USER MOD Single : A 46 SER OG : rot 20:sc= 0.911 USER MOD Single : A 49 THR OG1 : rot -78:sc= -0.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0224) USER MOD Single : B 257 SER OG : rot 40:sc= 0.194 USER MOD Single : B 258 SER OG : rot 180:sc= -0.012 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 262 SER OG : rot 103:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.600 -1.718 -0.035 1.00 0.00 N ATOM 45 CA SER A 2 123.783 -0.583 0.918 1.00 0.00 C ATOM 46 C SER A 2 122.612 0.395 0.805 1.00 0.00 C ATOM 47 O SER A 2 121.839 0.340 -0.134 1.00 0.00 O ATOM 48 CB SER A 2 125.087 0.088 0.489 1.00 0.00 C ATOM 49 OG SER A 2 126.160 -0.834 0.638 1.00 0.00 O ATOM 0 HA SER A 2 123.819 -0.916 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 2 125.016 0.417 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.269 0.976 1.094 1.00 0.00 H new ATOM 0 HG SER A 2 125.822 -1.748 0.535 1.00 0.00 H new ATOM 55 N VAL A 3 122.479 1.290 1.754 1.00 0.00 N ATOM 56 CA VAL A 3 121.348 2.276 1.719 1.00 0.00 C ATOM 57 C VAL A 3 121.513 3.230 0.526 1.00 0.00 C ATOM 58 O VAL A 3 120.543 3.749 0.008 1.00 0.00 O ATOM 59 CB VAL A 3 121.424 3.042 3.050 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.302 4.087 3.119 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.264 2.063 4.218 1.00 0.00 C ATOM 0 H VAL A 3 123.105 1.382 2.554 1.00 0.00 H new ATOM 0 HA VAL A 3 120.382 1.786 1.600 1.00 0.00 H new ATOM 0 HB VAL A 3 122.391 3.541 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.363 4.625 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.409 4.791 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.335 3.588 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.318 2.609 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.299 1.563 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.061 1.321 4.182 1.00 0.00 H new ATOM 71 N ALA A 4 122.732 3.468 0.091 1.00 0.00 N ATOM 72 CA ALA A 4 122.965 4.406 -1.062 1.00 0.00 C ATOM 73 C ALA A 4 122.145 3.969 -2.282 1.00 0.00 C ATOM 74 O ALA A 4 121.727 4.783 -3.085 1.00 0.00 O ATOM 75 CB ALA A 4 124.462 4.311 -1.367 1.00 0.00 C ATOM 0 H ALA A 4 123.577 3.053 0.484 1.00 0.00 H new ATOM 0 HA ALA A 4 122.662 5.425 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.706 4.970 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.032 4.611 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.715 3.284 -1.631 1.00 0.00 H new ATOM 81 N ASP A 5 121.920 2.685 -2.419 1.00 0.00 N ATOM 82 CA ASP A 5 121.031 2.182 -3.516 1.00 0.00 C ATOM 83 C ASP A 5 119.577 2.597 -3.253 1.00 0.00 C ATOM 84 O ASP A 5 118.810 2.810 -4.174 1.00 0.00 O ATOM 85 CB ASP A 5 121.164 0.657 -3.486 1.00 0.00 C ATOM 86 CG ASP A 5 122.591 0.256 -3.873 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.120 0.841 -4.805 1.00 0.00 O ATOM 88 OD2 ASP A 5 123.131 -0.630 -3.231 1.00 0.00 O ATOM 0 H ASP A 5 122.314 1.961 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 5 121.312 2.592 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.928 0.281 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.450 0.206 -4.175 1.00 0.00 H new ATOM 93 N PHE A 6 119.197 2.713 -2.000 1.00 0.00 N ATOM 94 CA PHE A 6 117.787 3.083 -1.663 1.00 0.00 C ATOM 95 C PHE A 6 117.644 4.596 -1.414 1.00 0.00 C ATOM 96 O PHE A 6 116.613 5.049 -0.951 1.00 0.00 O ATOM 97 CB PHE A 6 117.467 2.302 -0.388 1.00 0.00 C ATOM 98 CG PHE A 6 117.449 0.805 -0.588 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.636 0.052 -0.413 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.244 0.153 -0.950 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.618 -1.352 -0.601 1.00 0.00 C ATOM 102 CE2 PHE A 6 116.227 -1.250 -1.139 1.00 0.00 C ATOM 103 CZ PHE A 6 117.414 -2.003 -0.964 1.00 0.00 C ATOM 0 H PHE A 6 119.807 2.566 -1.196 1.00 0.00 H new ATOM 0 HA PHE A 6 117.107 2.845 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.204 2.550 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.496 2.622 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.555 0.548 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.338 0.726 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.523 -1.926 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 6 115.309 -1.746 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 6 117.401 -3.073 -1.107 1.00 0.00 H new ATOM 113 N TYR A 7 118.659 5.379 -1.714 1.00 0.00 N ATOM 114 CA TYR A 7 118.514 6.872 -1.611 1.00 0.00 C ATOM 115 C TYR A 7 117.527 7.377 -2.672 1.00 0.00 C ATOM 116 O TYR A 7 117.533 6.924 -3.801 1.00 0.00 O ATOM 117 CB TYR A 7 119.919 7.433 -1.895 1.00 0.00 C ATOM 118 CG TYR A 7 120.821 7.553 -0.676 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.543 6.832 0.516 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.964 8.392 -0.737 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.405 6.951 1.633 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.821 8.510 0.382 1.00 0.00 C ATOM 123 CZ TYR A 7 122.544 7.790 1.565 1.00 0.00 C ATOM 124 OH TYR A 7 123.387 7.904 2.651 1.00 0.00 O ATOM 0 H TYR A 7 119.574 5.052 -2.023 1.00 0.00 H new ATOM 0 HA TYR A 7 118.136 7.181 -0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.408 6.792 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.816 8.418 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.674 6.193 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.180 8.942 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.194 6.401 2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.688 9.152 0.332 1.00 0.00 H new ATOM 0 HH TYR A 7 124.118 8.519 2.434 1.00 0.00 H new ATOM 134 N GLY A 8 116.686 8.314 -2.310 1.00 0.00 N ATOM 135 CA GLY A 8 115.640 8.810 -3.259 1.00 0.00 C ATOM 136 C GLY A 8 114.424 7.867 -3.264 1.00 0.00 C ATOM 137 O GLY A 8 113.491 8.069 -4.020 1.00 0.00 O ATOM 0 H GLY A 8 116.679 8.760 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.327 9.814 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.057 8.881 -4.264 1.00 0.00 H new ATOM 141 N SER A 9 114.421 6.842 -2.439 1.00 0.00 N ATOM 142 CA SER A 9 113.221 5.951 -2.345 1.00 0.00 C ATOM 143 C SER A 9 112.126 6.612 -1.502 1.00 0.00 C ATOM 144 O SER A 9 112.394 7.172 -0.454 1.00 0.00 O ATOM 145 CB SER A 9 113.719 4.678 -1.657 1.00 0.00 C ATOM 146 OG SER A 9 114.667 4.031 -2.496 1.00 0.00 O ATOM 0 H SER A 9 115.197 6.587 -1.829 1.00 0.00 H new ATOM 0 HA SER A 9 112.790 5.747 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.173 4.924 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 9 112.882 4.010 -1.452 1.00 0.00 H new ATOM 0 HG SER A 9 114.989 3.216 -2.058 1.00 0.00 H new ATOM 152 N ASN A 10 110.897 6.552 -1.954 1.00 0.00 N ATOM 153 CA ASN A 10 109.753 7.018 -1.108 1.00 0.00 C ATOM 154 C ASN A 10 109.324 5.897 -0.165 1.00 0.00 C ATOM 155 O ASN A 10 108.892 4.843 -0.596 1.00 0.00 O ATOM 156 CB ASN A 10 108.627 7.346 -2.091 1.00 0.00 C ATOM 157 CG ASN A 10 107.660 8.346 -1.452 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.422 8.306 -0.261 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.087 9.249 -2.201 1.00 0.00 N ATOM 0 H ASN A 10 110.636 6.199 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 10 110.015 7.881 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.042 7.762 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.095 6.436 -2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.440 9.920 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.286 9.283 -3.201 1.00 0.00 H new ATOM 166 N VAL A 11 109.441 6.120 1.116 1.00 0.00 N ATOM 167 CA VAL A 11 109.059 5.070 2.106 1.00 0.00 C ATOM 168 C VAL A 11 108.398 5.731 3.314 1.00 0.00 C ATOM 169 O VAL A 11 108.501 6.930 3.501 1.00 0.00 O ATOM 170 CB VAL A 11 110.370 4.367 2.504 1.00 0.00 C ATOM 171 CG1 VAL A 11 110.995 3.702 1.273 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.366 5.380 3.089 1.00 0.00 C ATOM 0 H VAL A 11 109.787 6.989 1.522 1.00 0.00 H new ATOM 0 HA VAL A 11 108.347 4.353 1.698 1.00 0.00 H new ATOM 0 HB VAL A 11 110.143 3.613 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.922 3.206 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.301 2.967 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.207 4.459 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.287 4.867 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.586 6.145 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.932 5.848 3.973 1.00 0.00 H new ATOM 182 N GLU A 12 107.722 4.965 4.134 1.00 0.00 N ATOM 183 CA GLU A 12 107.106 5.554 5.359 1.00 0.00 C ATOM 184 C GLU A 12 107.856 5.073 6.602 1.00 0.00 C ATOM 185 O GLU A 12 108.075 3.891 6.787 1.00 0.00 O ATOM 186 CB GLU A 12 105.665 5.035 5.364 1.00 0.00 C ATOM 187 CG GLU A 12 104.874 5.720 6.483 1.00 0.00 C ATOM 188 CD GLU A 12 103.394 5.345 6.377 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.111 4.188 6.113 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.567 6.222 6.562 1.00 0.00 O ATOM 0 H GLU A 12 107.572 3.964 4.008 1.00 0.00 H new ATOM 0 HA GLU A 12 107.145 6.643 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.194 5.231 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.658 3.955 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.266 5.419 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.990 6.802 6.413 1.00 0.00 H new ATOM 197 N VAL A 13 108.254 5.984 7.451 1.00 0.00 N ATOM 198 CA VAL A 13 109.001 5.596 8.684 1.00 0.00 C ATOM 199 C VAL A 13 108.094 5.742 9.910 1.00 0.00 C ATOM 200 O VAL A 13 107.533 6.794 10.154 1.00 0.00 O ATOM 201 CB VAL A 13 110.178 6.585 8.760 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.042 6.277 9.988 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.042 6.463 7.498 1.00 0.00 C ATOM 0 H VAL A 13 108.093 6.985 7.343 1.00 0.00 H new ATOM 0 HA VAL A 13 109.341 4.561 8.659 1.00 0.00 H new ATOM 0 HB VAL A 13 109.781 7.597 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.873 6.981 10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.438 6.369 10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.431 5.262 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.874 7.165 7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.430 5.447 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.437 6.690 6.620 1.00 0.00 H new ATOM 213 N LEU A 14 107.949 4.690 10.677 1.00 0.00 N ATOM 214 CA LEU A 14 107.170 4.782 11.948 1.00 0.00 C ATOM 215 C LEU A 14 108.133 5.023 13.115 1.00 0.00 C ATOM 216 O LEU A 14 109.101 4.305 13.284 1.00 0.00 O ATOM 217 CB LEU A 14 106.476 3.420 12.086 1.00 0.00 C ATOM 218 CG LEU A 14 105.601 3.400 13.344 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.366 4.274 13.125 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.162 1.964 13.636 1.00 0.00 C ATOM 0 H LEU A 14 108.338 3.769 10.476 1.00 0.00 H new ATOM 0 HA LEU A 14 106.449 5.600 11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.865 3.224 11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.222 2.627 12.140 1.00 0.00 H new ATOM 0 HG LEU A 14 106.173 3.786 14.188 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.745 4.258 14.021 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.677 5.298 12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.794 3.890 12.280 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.540 1.949 14.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.592 1.579 12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.041 1.340 13.795 1.00 0.00 H new ATOM 232 N LEU A 15 107.871 6.024 13.917 1.00 0.00 N ATOM 233 CA LEU A 15 108.847 6.407 14.984 1.00 0.00 C ATOM 234 C LEU A 15 108.444 5.811 16.339 1.00 0.00 C ATOM 235 O LEU A 15 107.337 5.339 16.519 1.00 0.00 O ATOM 236 CB LEU A 15 108.805 7.936 15.033 1.00 0.00 C ATOM 237 CG LEU A 15 109.364 8.508 13.729 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.058 10.006 13.656 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.880 8.298 13.687 1.00 0.00 C ATOM 0 H LEU A 15 107.025 6.592 13.880 1.00 0.00 H new ATOM 0 HA LEU A 15 109.847 6.031 14.770 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.780 8.277 15.181 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.387 8.299 15.880 1.00 0.00 H new ATOM 0 HG LEU A 15 108.902 7.999 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.456 10.414 12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.979 10.159 13.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.520 10.513 14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.278 8.706 12.758 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.341 8.807 14.533 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.101 7.232 13.740 1.00 0.00 H new ATOM 251 N ASN A 16 109.350 5.836 17.293 1.00 0.00 N ATOM 252 CA ASN A 16 109.083 5.215 18.637 1.00 0.00 C ATOM 253 C ASN A 16 107.855 5.844 19.319 1.00 0.00 C ATOM 254 O ASN A 16 107.250 5.247 20.190 1.00 0.00 O ATOM 255 CB ASN A 16 110.350 5.481 19.471 1.00 0.00 C ATOM 256 CG ASN A 16 110.623 6.988 19.571 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.796 7.738 20.048 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.760 7.462 19.137 1.00 0.00 N ATOM 0 H ASN A 16 110.271 6.264 17.198 1.00 0.00 H new ATOM 0 HA ASN A 16 108.867 4.151 18.539 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.230 5.060 20.469 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.204 4.980 19.015 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.953 8.462 19.199 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.455 6.832 18.736 1.00 0.00 H new ATOM 265 N ASN A 17 107.488 7.040 18.925 1.00 0.00 N ATOM 266 CA ASN A 17 106.362 7.754 19.608 1.00 0.00 C ATOM 267 C ASN A 17 105.025 7.478 18.897 1.00 0.00 C ATOM 268 O ASN A 17 104.095 8.255 19.000 1.00 0.00 O ATOM 269 CB ASN A 17 106.727 9.248 19.539 1.00 0.00 C ATOM 270 CG ASN A 17 106.801 9.730 18.081 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.899 8.936 17.165 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.758 11.010 17.829 1.00 0.00 N ATOM 0 H ASN A 17 107.921 7.554 18.158 1.00 0.00 H new ATOM 0 HA ASN A 17 106.234 7.418 20.637 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.985 9.833 20.082 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.686 9.415 20.030 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.807 11.342 16.866 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.676 11.678 18.595 1.00 0.00 H new ATOM 279 N ASP A 18 104.926 6.377 18.171 1.00 0.00 N ATOM 280 CA ASP A 18 103.631 5.987 17.509 1.00 0.00 C ATOM 281 C ASP A 18 103.158 7.091 16.552 1.00 0.00 C ATOM 282 O ASP A 18 101.975 7.234 16.301 1.00 0.00 O ATOM 283 CB ASP A 18 102.613 5.779 18.643 1.00 0.00 C ATOM 284 CG ASP A 18 103.063 4.621 19.537 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.518 3.624 19.000 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.946 4.751 20.744 1.00 0.00 O ATOM 0 H ASP A 18 105.696 5.728 18.009 1.00 0.00 H new ATOM 0 HA ASP A 18 103.749 5.081 16.914 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.520 6.691 19.233 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.628 5.567 18.226 1.00 0.00 H new ATOM 291 N SER A 19 104.074 7.870 16.020 1.00 0.00 N ATOM 292 CA SER A 19 103.707 8.852 14.958 1.00 0.00 C ATOM 293 C SER A 19 104.220 8.358 13.605 1.00 0.00 C ATOM 294 O SER A 19 105.265 7.737 13.522 1.00 0.00 O ATOM 295 CB SER A 19 104.407 10.151 15.358 1.00 0.00 C ATOM 296 OG SER A 19 103.966 10.543 16.652 1.00 0.00 O ATOM 0 H SER A 19 105.060 7.864 16.279 1.00 0.00 H new ATOM 0 HA SER A 19 102.629 8.988 14.866 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.488 10.010 15.357 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.186 10.935 14.633 1.00 0.00 H new ATOM 0 HG SER A 19 104.402 11.383 16.906 1.00 0.00 H new ATOM 302 N LYS A 20 103.496 8.628 12.548 1.00 0.00 N ATOM 303 CA LYS A 20 103.887 8.090 11.210 1.00 0.00 C ATOM 304 C LYS A 20 104.387 9.216 10.303 1.00 0.00 C ATOM 305 O LYS A 20 103.970 10.354 10.425 1.00 0.00 O ATOM 306 CB LYS A 20 102.598 7.494 10.638 1.00 0.00 C ATOM 307 CG LYS A 20 102.192 6.265 11.454 1.00 0.00 C ATOM 308 CD LYS A 20 100.910 5.666 10.872 1.00 0.00 C ATOM 309 CE LYS A 20 100.424 4.528 11.772 1.00 0.00 C ATOM 310 NZ LYS A 20 99.665 5.200 12.863 1.00 0.00 N ATOM 0 H LYS A 20 102.650 9.198 12.554 1.00 0.00 H new ATOM 0 HA LYS A 20 104.691 7.358 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.801 8.237 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.746 7.217 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.992 5.525 11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.036 6.543 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.141 6.434 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.095 5.293 9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 20 99.791 3.832 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.261 3.953 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.872 4.732 13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.947 6.200 12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.646 5.138 12.666 1.00 0.00 H new ATOM 324 N ALA A 21 105.280 8.904 9.397 1.00 0.00 N ATOM 325 CA ALA A 21 105.753 9.929 8.415 1.00 0.00 C ATOM 326 C ALA A 21 106.217 9.247 7.124 1.00 0.00 C ATOM 327 O ALA A 21 106.677 8.123 7.143 1.00 0.00 O ATOM 328 CB ALA A 21 106.924 10.631 9.104 1.00 0.00 C ATOM 0 H ALA A 21 105.703 7.982 9.295 1.00 0.00 H new ATOM 0 HA ALA A 21 104.966 10.631 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.327 11.400 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.578 11.092 10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.703 9.903 9.330 1.00 0.00 H new ATOM 334 N ARG A 22 106.096 9.922 6.005 1.00 0.00 N ATOM 335 CA ARG A 22 106.541 9.324 4.706 1.00 0.00 C ATOM 336 C ARG A 22 107.141 10.400 3.798 1.00 0.00 C ATOM 337 O ARG A 22 106.647 11.508 3.732 1.00 0.00 O ATOM 338 CB ARG A 22 105.274 8.716 4.080 1.00 0.00 C ATOM 339 CG ARG A 22 104.210 9.802 3.852 1.00 0.00 C ATOM 340 CD ARG A 22 102.858 9.145 3.560 1.00 0.00 C ATOM 341 NE ARG A 22 102.826 8.957 2.076 1.00 0.00 N ATOM 342 CZ ARG A 22 102.608 9.967 1.255 1.00 0.00 C ATOM 343 NH1 ARG A 22 102.424 11.189 1.699 1.00 0.00 N ATOM 344 NH2 ARG A 22 102.577 9.746 -0.031 1.00 0.00 N ATOM 0 H ARG A 22 105.708 10.863 5.936 1.00 0.00 H new ATOM 0 HA ARG A 22 107.317 8.571 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.523 8.238 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 22 104.875 7.940 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.133 10.440 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.502 10.442 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 22 102.763 8.192 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.034 9.774 3.895 1.00 0.00 H new ATOM 0 HE ARG A 22 102.976 8.025 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 22 102.448 11.376 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 22 102.257 11.951 1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 22 102.720 8.802 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 22 102.409 10.517 -0.677 1.00 0.00 H new ATOM 358 N GLY A 23 108.204 10.073 3.101 1.00 0.00 N ATOM 359 CA GLY A 23 108.899 11.096 2.259 1.00 0.00 C ATOM 360 C GLY A 23 109.965 10.403 1.408 1.00 0.00 C ATOM 361 O GLY A 23 110.245 9.232 1.591 1.00 0.00 O ATOM 0 H GLY A 23 108.619 9.142 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.180 11.607 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.358 11.855 2.892 1.00 0.00 H new ATOM 365 N VAL A 24 110.561 11.114 0.479 1.00 0.00 N ATOM 366 CA VAL A 24 111.570 10.478 -0.426 1.00 0.00 C ATOM 367 C VAL A 24 112.974 10.701 0.143 1.00 0.00 C ATOM 368 O VAL A 24 113.401 11.820 0.331 1.00 0.00 O ATOM 369 CB VAL A 24 111.412 11.193 -1.780 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.389 10.593 -2.798 1.00 0.00 C ATOM 371 CG2 VAL A 24 109.980 11.012 -2.296 1.00 0.00 C ATOM 0 H VAL A 24 110.392 12.105 0.309 1.00 0.00 H new ATOM 0 HA VAL A 24 111.424 9.402 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 24 111.624 12.254 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.275 11.101 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.411 10.719 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.177 9.531 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.872 11.519 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.770 9.950 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.278 11.438 -1.579 1.00 0.00 H new ATOM 381 N ILE A 25 113.691 9.639 0.409 1.00 0.00 N ATOM 382 CA ILE A 25 114.992 9.768 1.145 1.00 0.00 C ATOM 383 C ILE A 25 116.011 10.553 0.309 1.00 0.00 C ATOM 384 O ILE A 25 116.053 10.442 -0.901 1.00 0.00 O ATOM 385 CB ILE A 25 115.470 8.323 1.386 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.456 7.587 2.269 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.835 8.326 2.088 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.752 6.085 2.248 1.00 0.00 C ATOM 0 H ILE A 25 113.434 8.687 0.150 1.00 0.00 H new ATOM 0 HA ILE A 25 114.878 10.314 2.082 1.00 0.00 H new ATOM 0 HB ILE A 25 115.560 7.819 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.507 7.964 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.444 7.774 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.162 7.299 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.564 8.843 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.750 8.838 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.030 5.563 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.678 5.714 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.758 5.907 2.627 1.00 0.00 H new ATOM 400 N THR A 26 116.827 11.347 0.958 1.00 0.00 N ATOM 401 CA THR A 26 117.869 12.130 0.230 1.00 0.00 C ATOM 402 C THR A 26 119.273 11.788 0.739 1.00 0.00 C ATOM 403 O THR A 26 120.235 11.904 0.000 1.00 0.00 O ATOM 404 CB THR A 26 117.544 13.600 0.501 1.00 0.00 C ATOM 405 OG1 THR A 26 117.203 13.774 1.868 1.00 0.00 O ATOM 406 CG2 THR A 26 116.372 14.030 -0.379 1.00 0.00 C ATOM 0 H THR A 26 116.814 11.486 1.968 1.00 0.00 H new ATOM 0 HA THR A 26 117.863 11.902 -0.836 1.00 0.00 H new ATOM 0 HB THR A 26 118.417 14.211 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.701 14.609 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.138 15.077 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.639 13.904 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.501 13.416 -0.150 1.00 0.00 H new ATOM 414 N ASN A 27 119.416 11.370 1.984 1.00 0.00 N ATOM 415 CA ASN A 27 120.793 11.066 2.495 1.00 0.00 C ATOM 416 C ASN A 27 120.756 10.188 3.750 1.00 0.00 C ATOM 417 O ASN A 27 119.753 10.088 4.426 1.00 0.00 O ATOM 418 CB ASN A 27 121.412 12.429 2.815 1.00 0.00 C ATOM 419 CG ASN A 27 122.929 12.366 2.619 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.401 12.086 1.536 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.716 12.615 3.630 1.00 0.00 N ATOM 0 H ASN A 27 118.656 11.230 2.650 1.00 0.00 H new ATOM 0 HA ASN A 27 121.370 10.508 1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.984 13.195 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.180 12.713 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.728 12.574 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.319 12.850 4.540 1.00 0.00 H new ATOM 428 N PHE A 28 121.866 9.554 4.047 1.00 0.00 N ATOM 429 CA PHE A 28 122.035 8.837 5.351 1.00 0.00 C ATOM 430 C PHE A 28 123.516 8.859 5.740 1.00 0.00 C ATOM 431 O PHE A 28 124.370 8.438 4.981 1.00 0.00 O ATOM 432 CB PHE A 28 121.554 7.403 5.101 1.00 0.00 C ATOM 433 CG PHE A 28 121.756 6.475 6.281 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.910 6.570 7.413 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.796 5.513 6.254 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.103 5.702 8.516 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.989 4.646 7.357 1.00 0.00 C ATOM 438 CZ PHE A 28 122.143 4.740 8.488 1.00 0.00 C ATOM 0 H PHE A 28 122.676 9.503 3.429 1.00 0.00 H new ATOM 0 HA PHE A 28 121.472 9.298 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.495 7.425 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.082 6.998 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.118 7.304 7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.442 5.441 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.457 5.774 9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.782 3.913 7.335 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.290 4.079 9.329 1.00 0.00 H new ATOM 448 N ASP A 29 123.821 9.344 6.917 1.00 0.00 N ATOM 449 CA ASP A 29 125.246 9.472 7.336 1.00 0.00 C ATOM 450 C ASP A 29 125.606 8.296 8.233 1.00 0.00 C ATOM 451 O ASP A 29 124.894 8.000 9.167 1.00 0.00 O ATOM 452 CB ASP A 29 125.315 10.787 8.114 1.00 0.00 C ATOM 453 CG ASP A 29 126.775 11.124 8.423 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.252 10.706 9.465 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.392 11.795 7.612 1.00 0.00 O ATOM 0 H ASP A 29 123.139 9.658 7.608 1.00 0.00 H new ATOM 0 HA ASP A 29 125.940 9.471 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.861 11.590 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.747 10.704 9.040 1.00 0.00 H new ATOM 460 N SER A 30 126.695 7.626 7.958 1.00 0.00 N ATOM 461 CA SER A 30 127.059 6.422 8.771 1.00 0.00 C ATOM 462 C SER A 30 127.476 6.837 10.184 1.00 0.00 C ATOM 463 O SER A 30 126.977 6.312 11.163 1.00 0.00 O ATOM 464 CB SER A 30 128.232 5.770 8.036 1.00 0.00 C ATOM 465 OG SER A 30 127.863 5.529 6.685 1.00 0.00 O ATOM 0 H SER A 30 127.347 7.858 7.209 1.00 0.00 H new ATOM 0 HA SER A 30 126.218 5.737 8.877 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.107 6.419 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.506 4.834 8.523 1.00 0.00 H new ATOM 0 HG SER A 30 128.613 5.113 6.210 1.00 0.00 H new ATOM 471 N SER A 31 128.382 7.779 10.296 1.00 0.00 N ATOM 472 CA SER A 31 128.926 8.157 11.643 1.00 0.00 C ATOM 473 C SER A 31 127.803 8.649 12.565 1.00 0.00 C ATOM 474 O SER A 31 127.763 8.313 13.734 1.00 0.00 O ATOM 475 CB SER A 31 129.924 9.285 11.377 1.00 0.00 C ATOM 476 OG SER A 31 130.885 8.847 10.425 1.00 0.00 O ATOM 0 H SER A 31 128.770 8.304 9.512 1.00 0.00 H new ATOM 0 HA SER A 31 129.392 7.306 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.403 10.167 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.419 9.574 12.304 1.00 0.00 H new ATOM 0 HG SER A 31 131.525 9.568 10.251 1.00 0.00 H new ATOM 482 N ASN A 32 126.899 9.442 12.046 1.00 0.00 N ATOM 483 CA ASN A 32 125.803 10.000 12.900 1.00 0.00 C ATOM 484 C ASN A 32 124.468 9.279 12.652 1.00 0.00 C ATOM 485 O ASN A 32 123.518 9.474 13.387 1.00 0.00 O ATOM 486 CB ASN A 32 125.692 11.470 12.487 1.00 0.00 C ATOM 487 CG ASN A 32 126.978 12.213 12.865 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.570 12.882 12.043 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.435 12.124 14.085 1.00 0.00 N ATOM 0 H ASN A 32 126.872 9.728 11.067 1.00 0.00 H new ATOM 0 HA ASN A 32 126.024 9.875 13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.521 11.544 11.413 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.836 11.932 12.979 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.289 12.616 14.347 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.938 11.562 14.776 1.00 0.00 H new ATOM 496 N SER A 33 124.379 8.446 11.629 1.00 0.00 N ATOM 497 CA SER A 33 123.068 7.795 11.267 1.00 0.00 C ATOM 498 C SER A 33 121.943 8.837 11.170 1.00 0.00 C ATOM 499 O SER A 33 121.023 8.853 11.969 1.00 0.00 O ATOM 500 CB SER A 33 122.794 6.784 12.385 1.00 0.00 C ATOM 501 OG SER A 33 123.368 5.531 12.036 1.00 0.00 O ATOM 0 H SER A 33 125.162 8.189 11.028 1.00 0.00 H new ATOM 0 HA SER A 33 123.113 7.311 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.215 7.141 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.720 6.675 12.538 1.00 0.00 H new ATOM 0 HG SER A 33 123.196 4.882 12.750 1.00 0.00 H new ATOM 507 N ILE A 34 122.017 9.709 10.191 1.00 0.00 N ATOM 508 CA ILE A 34 121.007 10.814 10.085 1.00 0.00 C ATOM 509 C ILE A 34 120.378 10.798 8.689 1.00 0.00 C ATOM 510 O ILE A 34 121.072 10.815 7.692 1.00 0.00 O ATOM 511 CB ILE A 34 121.785 12.122 10.319 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.532 12.077 11.670 1.00 0.00 C ATOM 513 CG2 ILE A 34 120.816 13.312 10.309 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.554 11.899 12.846 1.00 0.00 C ATOM 0 H ILE A 34 122.731 9.704 9.462 1.00 0.00 H new ATOM 0 HA ILE A 34 120.200 10.706 10.810 1.00 0.00 H new ATOM 0 HB ILE A 34 122.515 12.237 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.249 11.256 11.664 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.101 12.997 11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.372 14.235 10.475 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.310 13.361 9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.077 13.186 11.100 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.112 11.871 13.782 1.00 0.00 H new ATOM 0 HD12 ILE A 34 120.853 12.734 12.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.004 10.966 12.724 1.00 0.00 H new ATOM 526 N LEU A 35 119.070 10.773 8.618 1.00 0.00 N ATOM 527 CA LEU A 35 118.387 10.551 7.308 1.00 0.00 C ATOM 528 C LEU A 35 117.574 11.782 6.913 1.00 0.00 C ATOM 529 O LEU A 35 116.680 12.200 7.625 1.00 0.00 O ATOM 530 CB LEU A 35 117.462 9.357 7.553 1.00 0.00 C ATOM 531 CG LEU A 35 116.875 8.880 6.223 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.874 7.958 5.525 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.575 8.116 6.488 1.00 0.00 C ATOM 0 H LEU A 35 118.445 10.897 9.414 1.00 0.00 H new ATOM 0 HA LEU A 35 119.094 10.370 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.015 8.547 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.660 9.639 8.235 1.00 0.00 H new ATOM 0 HG LEU A 35 116.670 9.740 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.455 7.618 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.801 8.500 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.079 7.096 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.154 7.775 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.782 7.256 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.862 8.773 6.986 1.00 0.00 H new ATOM 545 N GLN A 36 117.885 12.361 5.782 1.00 0.00 N ATOM 546 CA GLN A 36 117.066 13.495 5.263 1.00 0.00 C ATOM 547 C GLN A 36 115.969 12.954 4.347 1.00 0.00 C ATOM 548 O GLN A 36 116.223 12.111 3.508 1.00 0.00 O ATOM 549 CB GLN A 36 118.046 14.361 4.469 1.00 0.00 C ATOM 550 CG GLN A 36 119.054 15.001 5.425 1.00 0.00 C ATOM 551 CD GLN A 36 119.981 15.933 4.643 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.604 17.037 4.300 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.186 15.533 4.342 1.00 0.00 N ATOM 0 H GLN A 36 118.675 12.095 5.194 1.00 0.00 H new ATOM 0 HA GLN A 36 116.580 14.060 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.566 13.754 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.505 15.134 3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.531 15.559 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.637 14.228 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.503 14.607 4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.811 16.146 3.819 1.00 0.00 H new ATOM 562 N LEU A 37 114.756 13.431 4.506 1.00 0.00 N ATOM 563 CA LEU A 37 113.658 13.037 3.568 1.00 0.00 C ATOM 564 C LEU A 37 113.133 14.272 2.831 1.00 0.00 C ATOM 565 O LEU A 37 112.717 15.238 3.444 1.00 0.00 O ATOM 566 CB LEU A 37 112.546 12.448 4.452 1.00 0.00 C ATOM 567 CG LEU A 37 113.054 11.229 5.238 1.00 0.00 C ATOM 568 CD1 LEU A 37 111.924 10.700 6.127 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.498 10.122 4.269 1.00 0.00 C ATOM 0 H LEU A 37 114.480 14.077 5.246 1.00 0.00 H new ATOM 0 HA LEU A 37 114.003 12.323 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.187 13.208 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.699 12.157 3.831 1.00 0.00 H new ATOM 0 HG LEU A 37 113.905 11.526 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.277 9.835 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 37 111.612 11.480 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.078 10.408 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.856 9.263 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.653 9.821 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 114.300 10.496 3.632 1.00 0.00 H new ATOM 581 N ARG A 38 113.149 14.245 1.521 1.00 0.00 N ATOM 582 CA ARG A 38 112.565 15.377 0.734 1.00 0.00 C ATOM 583 C ARG A 38 111.130 15.036 0.325 1.00 0.00 C ATOM 584 O ARG A 38 110.903 14.214 -0.544 1.00 0.00 O ATOM 585 CB ARG A 38 113.463 15.513 -0.500 1.00 0.00 C ATOM 586 CG ARG A 38 113.019 16.716 -1.336 1.00 0.00 C ATOM 587 CD ARG A 38 113.880 16.805 -2.600 1.00 0.00 C ATOM 588 NE ARG A 38 113.459 18.076 -3.268 1.00 0.00 N ATOM 589 CZ ARG A 38 113.853 19.255 -2.823 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.620 19.371 -1.764 1.00 0.00 N ATOM 591 NH2 ARG A 38 113.468 20.332 -3.451 1.00 0.00 N ATOM 0 H ARG A 38 113.541 13.488 0.962 1.00 0.00 H new ATOM 0 HA ARG A 38 112.525 16.305 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.502 15.636 -0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.413 14.604 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.968 16.617 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.114 17.632 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.942 16.822 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.717 15.945 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 38 112.853 18.030 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.927 18.537 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.909 20.295 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.870 20.256 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 38 113.765 21.250 -3.119 1.00 0.00 H new ATOM 605 N LEU A 39 110.165 15.665 0.945 1.00 0.00 N ATOM 606 CA LEU A 39 108.739 15.286 0.703 1.00 0.00 C ATOM 607 C LEU A 39 108.177 16.009 -0.528 1.00 0.00 C ATOM 608 O LEU A 39 108.626 17.084 -0.890 1.00 0.00 O ATOM 609 CB LEU A 39 108.001 15.705 1.982 1.00 0.00 C ATOM 610 CG LEU A 39 106.585 15.105 2.025 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.636 13.584 1.851 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.965 15.411 3.386 1.00 0.00 C ATOM 0 H LEU A 39 110.303 16.426 1.610 1.00 0.00 H new ATOM 0 HA LEU A 39 108.625 14.222 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.565 15.377 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.941 16.792 2.031 1.00 0.00 H new ATOM 0 HG LEU A 39 105.995 15.539 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.624 13.180 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.092 13.343 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.229 13.146 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.960 14.991 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.578 14.970 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.914 16.490 3.528 1.00 0.00 H new ATOM 624 N ALA A 40 107.191 15.416 -1.163 1.00 0.00 N ATOM 625 CA ALA A 40 106.707 15.921 -2.493 1.00 0.00 C ATOM 626 C ALA A 40 106.129 17.342 -2.395 1.00 0.00 C ATOM 627 O ALA A 40 105.855 17.966 -3.405 1.00 0.00 O ATOM 628 CB ALA A 40 105.616 14.939 -2.924 1.00 0.00 C ATOM 0 H ALA A 40 106.696 14.596 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 40 107.528 15.978 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.213 15.243 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.039 13.938 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.817 14.935 -2.183 1.00 0.00 H new ATOM 634 N ASN A 41 105.937 17.863 -1.204 1.00 0.00 N ATOM 635 CA ASN A 41 105.480 19.284 -1.064 1.00 0.00 C ATOM 636 C ASN A 41 106.677 20.258 -1.105 1.00 0.00 C ATOM 637 O ASN A 41 106.628 21.319 -0.512 1.00 0.00 O ATOM 638 CB ASN A 41 104.766 19.350 0.299 1.00 0.00 C ATOM 639 CG ASN A 41 105.740 19.029 1.445 1.00 0.00 C ATOM 640 OD1 ASN A 41 106.867 18.634 1.215 1.00 0.00 O ATOM 641 ND2 ASN A 41 105.345 19.186 2.679 1.00 0.00 N ATOM 0 H ASN A 41 106.077 17.366 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 41 104.821 19.577 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.342 20.344 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.936 18.644 0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 41 105.981 18.978 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 41 104.400 19.517 2.874 1.00 0.00 H new ATOM 648 N ASP A 42 107.756 19.907 -1.796 1.00 0.00 N ATOM 649 CA ASP A 42 108.929 20.837 -1.942 1.00 0.00 C ATOM 650 C ASP A 42 109.479 21.225 -0.563 1.00 0.00 C ATOM 651 O ASP A 42 110.016 22.304 -0.389 1.00 0.00 O ATOM 652 CB ASP A 42 108.404 22.078 -2.684 1.00 0.00 C ATOM 653 CG ASP A 42 107.934 21.682 -4.087 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.616 20.893 -4.720 1.00 0.00 O ATOM 655 OD2 ASP A 42 106.900 22.176 -4.503 1.00 0.00 O ATOM 0 H ASP A 42 107.867 19.008 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 42 109.744 20.365 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.580 22.525 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.189 22.831 -2.752 1.00 0.00 H new ATOM 660 N SER A 43 109.347 20.354 0.419 1.00 0.00 N ATOM 661 CA SER A 43 109.893 20.668 1.776 1.00 0.00 C ATOM 662 C SER A 43 110.942 19.629 2.180 1.00 0.00 C ATOM 663 O SER A 43 110.767 18.443 1.966 1.00 0.00 O ATOM 664 CB SER A 43 108.687 20.602 2.711 1.00 0.00 C ATOM 665 OG SER A 43 107.679 21.487 2.241 1.00 0.00 O ATOM 0 H SER A 43 108.887 19.447 0.335 1.00 0.00 H new ATOM 0 HA SER A 43 110.383 21.641 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.301 19.583 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.983 20.874 3.724 1.00 0.00 H new ATOM 0 HG SER A 43 106.903 21.446 2.838 1.00 0.00 H new ATOM 671 N THR A 44 112.029 20.071 2.764 1.00 0.00 N ATOM 672 CA THR A 44 113.067 19.115 3.257 1.00 0.00 C ATOM 673 C THR A 44 112.891 18.866 4.760 1.00 0.00 C ATOM 674 O THR A 44 112.428 19.728 5.485 1.00 0.00 O ATOM 675 CB THR A 44 114.423 19.786 2.960 1.00 0.00 C ATOM 676 OG1 THR A 44 115.473 18.930 3.388 1.00 0.00 O ATOM 677 CG2 THR A 44 114.541 21.137 3.684 1.00 0.00 C ATOM 0 H THR A 44 112.242 21.056 2.921 1.00 0.00 H new ATOM 0 HA THR A 44 112.992 18.143 2.769 1.00 0.00 H new ATOM 0 HB THR A 44 114.494 19.963 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.337 19.352 3.199 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.507 21.588 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.743 21.800 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.457 20.982 4.760 1.00 0.00 H new ATOM 685 N LYS A 45 113.256 17.697 5.226 1.00 0.00 N ATOM 686 CA LYS A 45 113.149 17.402 6.688 1.00 0.00 C ATOM 687 C LYS A 45 114.245 16.425 7.117 1.00 0.00 C ATOM 688 O LYS A 45 114.351 15.331 6.596 1.00 0.00 O ATOM 689 CB LYS A 45 111.766 16.773 6.871 1.00 0.00 C ATOM 690 CG LYS A 45 110.727 17.878 7.065 1.00 0.00 C ATOM 691 CD LYS A 45 109.372 17.253 7.404 1.00 0.00 C ATOM 692 CE LYS A 45 109.364 16.812 8.869 1.00 0.00 C ATOM 693 NZ LYS A 45 109.005 18.037 9.636 1.00 0.00 N ATOM 0 H LYS A 45 113.623 16.934 4.657 1.00 0.00 H new ATOM 0 HA LYS A 45 113.271 18.299 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.511 16.168 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.769 16.106 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 45 111.040 18.549 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 45 110.646 18.478 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 108.573 17.973 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.182 16.398 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.641 16.014 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.338 16.428 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.500 18.032 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.286 18.880 9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.978 18.056 9.799 1.00 0.00 H new ATOM 707 N SER A 46 115.058 16.820 8.066 1.00 0.00 N ATOM 708 CA SER A 46 116.154 15.922 8.546 1.00 0.00 C ATOM 709 C SER A 46 115.708 15.168 9.801 1.00 0.00 C ATOM 710 O SER A 46 115.318 15.767 10.787 1.00 0.00 O ATOM 711 CB SER A 46 117.318 16.860 8.870 1.00 0.00 C ATOM 712 OG SER A 46 116.972 17.670 9.986 1.00 0.00 O ATOM 0 H SER A 46 115.010 17.727 8.530 1.00 0.00 H new ATOM 0 HA SER A 46 116.428 15.171 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.216 16.282 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.546 17.487 8.008 1.00 0.00 H new ATOM 0 HG SER A 46 116.241 17.247 10.483 1.00 0.00 H new ATOM 718 N ILE A 47 115.763 13.858 9.768 1.00 0.00 N ATOM 719 CA ILE A 47 115.363 13.050 10.962 1.00 0.00 C ATOM 720 C ILE A 47 116.470 12.042 11.284 1.00 0.00 C ATOM 721 O ILE A 47 116.984 11.378 10.402 1.00 0.00 O ATOM 722 CB ILE A 47 114.062 12.333 10.559 1.00 0.00 C ATOM 723 CG1 ILE A 47 112.987 13.367 10.194 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.556 11.482 11.730 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.804 12.665 9.526 1.00 0.00 C ATOM 0 H ILE A 47 116.069 13.312 8.962 1.00 0.00 H new ATOM 0 HA ILE A 47 115.211 13.661 11.852 1.00 0.00 H new ATOM 0 HB ILE A 47 114.264 11.695 9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.653 13.891 11.090 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.404 14.118 9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.635 10.976 11.441 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.310 10.740 11.993 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.363 12.124 12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.043 13.401 9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.144 12.162 8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.381 11.931 10.212 1.00 0.00 H new ATOM 737 N VAL A 48 116.837 11.924 12.536 1.00 0.00 N ATOM 738 CA VAL A 48 117.914 10.955 12.913 1.00 0.00 C ATOM 739 C VAL A 48 117.310 9.548 13.039 1.00 0.00 C ATOM 740 O VAL A 48 116.341 9.343 13.741 1.00 0.00 O ATOM 741 CB VAL A 48 118.460 11.459 14.264 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.590 10.540 14.750 1.00 0.00 C ATOM 743 CG2 VAL A 48 118.988 12.899 14.115 1.00 0.00 C ATOM 0 H VAL A 48 116.440 12.454 13.311 1.00 0.00 H new ATOM 0 HA VAL A 48 118.710 10.894 12.171 1.00 0.00 H new ATOM 0 HB VAL A 48 117.652 11.449 14.996 1.00 0.00 H new ATOM 0 HG11 VAL A 48 119.970 10.904 15.705 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.207 9.527 14.874 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.397 10.536 14.017 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.372 13.247 15.074 1.00 0.00 H new ATOM 0 HG22 VAL A 48 119.788 12.918 13.375 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.178 13.552 13.790 1.00 0.00 H new ATOM 753 N THR A 49 117.887 8.581 12.364 1.00 0.00 N ATOM 754 CA THR A 49 117.246 7.225 12.255 1.00 0.00 C ATOM 755 C THR A 49 117.042 6.574 13.625 1.00 0.00 C ATOM 756 O THR A 49 116.181 5.732 13.793 1.00 0.00 O ATOM 757 CB THR A 49 118.221 6.390 11.418 1.00 0.00 C ATOM 758 OG1 THR A 49 119.514 6.452 12.000 1.00 0.00 O ATOM 759 CG2 THR A 49 118.274 6.937 9.988 1.00 0.00 C ATOM 0 H THR A 49 118.780 8.671 11.880 1.00 0.00 H new ATOM 0 HA THR A 49 116.256 7.298 11.806 1.00 0.00 H new ATOM 0 HB THR A 49 117.882 5.354 11.393 1.00 0.00 H new ATOM 0 HG1 THR A 49 119.936 7.306 11.769 1.00 0.00 H new ATOM 0 HG21 THR A 49 118.968 6.341 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.281 6.887 9.542 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.611 7.973 10.007 1.00 0.00 H new ATOM 767 N LYS A 50 117.827 6.952 14.602 1.00 0.00 N ATOM 768 CA LYS A 50 117.724 6.305 15.955 1.00 0.00 C ATOM 769 C LYS A 50 116.299 6.415 16.514 1.00 0.00 C ATOM 770 O LYS A 50 115.898 5.628 17.352 1.00 0.00 O ATOM 771 CB LYS A 50 118.714 7.066 16.847 1.00 0.00 C ATOM 772 CG LYS A 50 118.828 6.379 18.212 1.00 0.00 C ATOM 773 CD LYS A 50 119.509 7.325 19.204 1.00 0.00 C ATOM 774 CE LYS A 50 118.541 8.448 19.586 1.00 0.00 C ATOM 775 NZ LYS A 50 119.195 9.145 20.728 1.00 0.00 N ATOM 0 H LYS A 50 118.537 7.681 14.526 1.00 0.00 H new ATOM 0 HA LYS A 50 117.953 5.240 15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.692 7.104 16.368 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.382 8.096 16.976 1.00 0.00 H new ATOM 0 HG2 LYS A 50 117.838 6.104 18.576 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.402 5.457 18.120 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.815 6.776 20.094 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.413 7.744 18.761 1.00 0.00 H new ATOM 0 HE2 LYS A 50 118.375 9.128 18.750 1.00 0.00 H new ATOM 0 HE3 LYS A 50 117.567 8.050 19.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 118.592 9.930 21.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 119.334 8.474 21.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 120.117 9.519 20.425 1.00 0.00 H new ATOM 789 N ASP A 51 115.534 7.379 16.058 1.00 0.00 N ATOM 790 CA ASP A 51 114.112 7.480 16.517 1.00 0.00 C ATOM 791 C ASP A 51 113.189 6.563 15.690 1.00 0.00 C ATOM 792 O ASP A 51 111.990 6.544 15.902 1.00 0.00 O ATOM 793 CB ASP A 51 113.718 8.960 16.351 1.00 0.00 C ATOM 794 CG ASP A 51 113.825 9.416 14.884 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.937 8.570 14.011 1.00 0.00 O ATOM 796 OD2 ASP A 51 113.790 10.615 14.662 1.00 0.00 O ATOM 0 H ASP A 51 115.830 8.094 15.394 1.00 0.00 H new ATOM 0 HA ASP A 51 114.009 7.155 17.552 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.697 9.107 16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.363 9.580 16.973 1.00 0.00 H new ATOM 801 N ILE A 52 113.728 5.807 14.755 1.00 0.00 N ATOM 802 CA ILE A 52 112.864 4.879 13.950 1.00 0.00 C ATOM 803 C ILE A 52 112.483 3.654 14.789 1.00 0.00 C ATOM 804 O ILE A 52 113.331 2.993 15.360 1.00 0.00 O ATOM 805 CB ILE A 52 113.709 4.462 12.733 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.042 5.698 11.889 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.924 3.465 11.869 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.062 5.324 10.809 1.00 0.00 C ATOM 0 H ILE A 52 114.720 5.793 14.517 1.00 0.00 H new ATOM 0 HA ILE A 52 111.936 5.358 13.640 1.00 0.00 H new ATOM 0 HB ILE A 52 114.629 3.995 13.085 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.136 6.090 11.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.443 6.487 12.525 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.528 3.174 11.009 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.685 2.581 12.460 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.001 3.931 11.523 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.297 6.204 10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.972 4.952 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.644 4.549 10.166 1.00 0.00 H new ATOM 820 N LYS A 53 111.210 3.357 14.863 1.00 0.00 N ATOM 821 CA LYS A 53 110.768 2.058 15.455 1.00 0.00 C ATOM 822 C LYS A 53 110.621 1.009 14.347 1.00 0.00 C ATOM 823 O LYS A 53 110.818 -0.170 14.574 1.00 0.00 O ATOM 824 CB LYS A 53 109.412 2.348 16.107 1.00 0.00 C ATOM 825 CG LYS A 53 108.950 1.123 16.899 1.00 0.00 C ATOM 826 CD LYS A 53 107.566 1.392 17.494 1.00 0.00 C ATOM 827 CE LYS A 53 107.166 0.228 18.403 1.00 0.00 C ATOM 828 NZ LYS A 53 106.634 -0.814 17.482 1.00 0.00 N ATOM 0 H LYS A 53 110.455 3.961 14.538 1.00 0.00 H new ATOM 0 HA LYS A 53 111.483 1.667 16.179 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.492 3.211 16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.676 2.598 15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.914 0.249 16.249 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.662 0.901 17.694 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.577 2.323 18.061 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.833 1.513 16.697 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.021 -0.144 18.968 1.00 0.00 H new ATOM 0 HE3 LYS A 53 106.413 0.535 19.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.230 -1.595 18.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.895 -0.400 16.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.405 -1.176 16.885 1.00 0.00 H new ATOM 842 N ASP A 54 110.280 1.437 13.150 1.00 0.00 N ATOM 843 CA ASP A 54 110.078 0.473 12.019 1.00 0.00 C ATOM 844 C ASP A 54 110.087 1.224 10.682 1.00 0.00 C ATOM 845 O ASP A 54 109.847 2.415 10.629 1.00 0.00 O ATOM 846 CB ASP A 54 108.704 -0.166 12.261 1.00 0.00 C ATOM 847 CG ASP A 54 108.852 -1.428 13.115 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.782 -2.180 12.873 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.032 -1.620 13.996 1.00 0.00 O ATOM 0 H ASP A 54 110.133 2.417 12.909 1.00 0.00 H new ATOM 0 HA ASP A 54 110.868 -0.277 11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.047 0.545 12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.238 -0.415 11.308 1.00 0.00 H new ATOM 854 N LEU A 55 110.365 0.528 9.603 1.00 0.00 N ATOM 855 CA LEU A 55 110.412 1.188 8.261 1.00 0.00 C ATOM 856 C LEU A 55 109.628 0.365 7.234 1.00 0.00 C ATOM 857 O LEU A 55 109.543 -0.845 7.332 1.00 0.00 O ATOM 858 CB LEU A 55 111.895 1.225 7.885 1.00 0.00 C ATOM 859 CG LEU A 55 112.652 2.159 8.832 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.156 1.961 8.648 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.290 3.610 8.512 1.00 0.00 C ATOM 0 H LEU A 55 110.562 -0.473 9.596 1.00 0.00 H new ATOM 0 HA LEU A 55 109.968 2.183 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.317 0.221 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.009 1.566 6.856 1.00 0.00 H new ATOM 0 HG LEU A 55 112.377 1.932 9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.696 2.626 9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.417 0.927 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.430 2.189 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.828 4.276 9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.566 3.835 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.217 3.754 8.640 1.00 0.00 H new ATOM 873 N ARG A 56 109.056 1.019 6.251 1.00 0.00 N ATOM 874 CA ARG A 56 108.351 0.281 5.156 1.00 0.00 C ATOM 875 C ARG A 56 108.398 1.093 3.856 1.00 0.00 C ATOM 876 O ARG A 56 108.343 2.307 3.879 1.00 0.00 O ATOM 877 CB ARG A 56 106.903 0.117 5.644 1.00 0.00 C ATOM 878 CG ARG A 56 106.233 1.491 5.796 1.00 0.00 C ATOM 879 CD ARG A 56 104.812 1.320 6.339 1.00 0.00 C ATOM 880 NE ARG A 56 104.968 0.717 7.703 1.00 0.00 N ATOM 881 CZ ARG A 56 103.952 0.149 8.325 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.757 0.091 7.781 1.00 0.00 N ATOM 883 NH2 ARG A 56 104.138 -0.365 9.510 1.00 0.00 N ATOM 0 H ARG A 56 109.047 2.035 6.160 1.00 0.00 H new ATOM 0 HA ARG A 56 108.815 -0.683 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.341 -0.493 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.891 -0.409 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.817 2.117 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.205 2.000 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.295 2.278 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.220 0.674 5.691 1.00 0.00 H new ATOM 0 HE ARG A 56 105.879 0.746 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.598 0.491 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.989 -0.354 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.060 -0.325 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.361 -0.807 10.002 1.00 0.00 H new ATOM 897 N ILE A 57 108.503 0.432 2.733 1.00 0.00 N ATOM 898 CA ILE A 57 108.424 1.155 1.425 1.00 0.00 C ATOM 899 C ILE A 57 106.960 1.291 0.987 1.00 0.00 C ATOM 900 O ILE A 57 106.203 0.340 1.033 1.00 0.00 O ATOM 901 CB ILE A 57 109.208 0.303 0.416 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.642 0.068 0.919 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.265 1.050 -0.921 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.325 -0.988 0.046 1.00 0.00 C ATOM 0 H ILE A 57 108.640 -0.576 2.663 1.00 0.00 H new ATOM 0 HA ILE A 57 108.838 2.161 1.498 1.00 0.00 H new ATOM 0 HB ILE A 57 108.711 -0.660 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.206 1.000 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.625 -0.260 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.820 0.455 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.252 1.218 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.764 2.009 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.341 -1.154 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.765 -1.922 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.356 -0.642 -0.987 1.00 0.00 H new ATOM 916 N LEU A 58 106.562 2.468 0.564 1.00 0.00 N ATOM 917 CA LEU A 58 105.141 2.678 0.140 1.00 0.00 C ATOM 918 C LEU A 58 104.958 2.227 -1.321 1.00 0.00 C ATOM 919 O LEU A 58 105.565 2.796 -2.209 1.00 0.00 O ATOM 920 CB LEU A 58 104.902 4.186 0.260 1.00 0.00 C ATOM 921 CG LEU A 58 104.980 4.606 1.731 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.370 6.083 1.821 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.616 4.394 2.396 1.00 0.00 C ATOM 0 H LEU A 58 107.160 3.292 0.494 1.00 0.00 H new ATOM 0 HA LEU A 58 104.442 2.106 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.646 4.729 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.925 4.443 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 58 105.730 4.002 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.425 6.382 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.341 6.232 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.622 6.689 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.671 4.693 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.865 4.997 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.340 3.341 2.333 1.00 0.00 H new ATOM 1736 N SER B 257 111.852 -4.481 2.819 1.00 0.00 N ATOM 1737 CA SER B 257 111.559 -3.463 3.884 1.00 0.00 C ATOM 1738 C SER B 257 112.183 -3.884 5.218 1.00 0.00 C ATOM 1739 O SER B 257 112.709 -3.070 5.953 1.00 0.00 O ATOM 1740 CB SER B 257 110.034 -3.441 4.006 1.00 0.00 C ATOM 1741 OG SER B 257 109.468 -3.054 2.761 1.00 0.00 O ATOM 0 HA SER B 257 111.970 -2.485 3.632 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.667 -4.426 4.295 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.730 -2.745 4.788 1.00 0.00 H new ATOM 0 HG SER B 257 109.969 -3.472 2.030 1.00 0.00 H new ATOM 1747 N SER B 258 112.121 -5.157 5.525 1.00 0.00 N ATOM 1748 CA SER B 258 112.687 -5.649 6.822 1.00 0.00 C ATOM 1749 C SER B 258 114.217 -5.566 6.800 1.00 0.00 C ATOM 1750 O SER B 258 114.847 -5.349 7.819 1.00 0.00 O ATOM 1751 CB SER B 258 112.228 -7.105 6.945 1.00 0.00 C ATOM 1752 OG SER B 258 112.925 -7.905 5.998 1.00 0.00 O ATOM 0 H SER B 258 111.704 -5.877 4.935 1.00 0.00 H new ATOM 0 HA SER B 258 112.348 -5.049 7.667 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.415 -7.472 7.954 1.00 0.00 H new ATOM 0 HB3 SER B 258 111.154 -7.174 6.774 1.00 0.00 H new ATOM 0 HG SER B 258 112.632 -8.837 6.078 1.00 0.00 H new ATOM 1758 N GLN B 259 114.817 -5.737 5.645 1.00 0.00 N ATOM 1759 CA GLN B 259 116.313 -5.672 5.547 1.00 0.00 C ATOM 1760 C GLN B 259 116.810 -4.264 5.892 1.00 0.00 C ATOM 1761 O GLN B 259 117.845 -4.101 6.512 1.00 0.00 O ATOM 1762 CB GLN B 259 116.645 -6.012 4.091 1.00 0.00 C ATOM 1763 CG GLN B 259 116.265 -7.467 3.805 1.00 0.00 C ATOM 1764 CD GLN B 259 116.591 -7.808 2.348 1.00 0.00 C ATOM 1765 OE1 GLN B 259 116.466 -6.974 1.472 1.00 0.00 O ATOM 1766 NE2 GLN B 259 117.006 -9.008 2.050 1.00 0.00 N ATOM 0 H GLN B 259 114.335 -5.919 4.764 1.00 0.00 H new ATOM 0 HA GLN B 259 116.793 -6.360 6.242 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.105 -5.345 3.419 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.708 -5.860 3.904 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.808 -8.133 4.475 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.203 -7.620 3.996 1.00 0.00 H new ATOM 0 HE21 GLN B 259 117.111 -9.708 2.784 1.00 0.00 H new ATOM 0 HE22 GLN B 259 117.225 -9.246 1.083 1.00 0.00 H new ATOM 1775 N LEU B 260 116.077 -3.251 5.496 1.00 0.00 N ATOM 1776 CA LEU B 260 116.497 -1.844 5.805 1.00 0.00 C ATOM 1777 C LEU B 260 116.441 -1.595 7.315 1.00 0.00 C ATOM 1778 O LEU B 260 117.325 -0.979 7.882 1.00 0.00 O ATOM 1779 CB LEU B 260 115.493 -0.945 5.076 1.00 0.00 C ATOM 1780 CG LEU B 260 115.648 -1.118 3.564 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.406 -0.573 2.858 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.881 -0.348 3.086 1.00 0.00 C ATOM 0 H LEU B 260 115.206 -3.336 4.972 1.00 0.00 H new ATOM 0 HA LEU B 260 117.520 -1.646 5.485 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.477 -1.199 5.378 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.657 0.097 5.351 1.00 0.00 H new ATOM 0 HG LEU B 260 115.765 -2.176 3.331 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.516 -0.696 1.781 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.526 -1.119 3.197 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.289 0.485 3.092 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.992 -0.471 2.009 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.763 0.710 3.320 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.768 -0.734 3.588 1.00 0.00 H new ATOM 1794 N LEU B 261 115.407 -2.071 7.965 1.00 0.00 N ATOM 1795 CA LEU B 261 115.323 -1.933 9.453 1.00 0.00 C ATOM 1796 C LEU B 261 116.356 -2.848 10.117 1.00 0.00 C ATOM 1797 O LEU B 261 116.966 -2.491 11.108 1.00 0.00 O ATOM 1798 CB LEU B 261 113.900 -2.361 9.825 1.00 0.00 C ATOM 1799 CG LEU B 261 113.615 -1.995 11.285 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.504 -0.475 11.422 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.296 -2.639 11.722 1.00 0.00 C ATOM 0 H LEU B 261 114.618 -2.549 7.530 1.00 0.00 H new ATOM 0 HA LEU B 261 115.531 -0.916 9.786 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.180 -1.871 9.170 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.783 -3.435 9.680 1.00 0.00 H new ATOM 0 HG LEU B 261 114.428 -2.358 11.914 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.301 -0.217 12.461 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.440 -0.012 11.109 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.692 -0.111 10.793 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.091 -2.380 12.761 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.486 -2.274 11.090 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.371 -3.722 11.626 1.00 0.00 H new ATOM 1813 N SER B 262 116.554 -4.026 9.571 1.00 0.00 N ATOM 1814 CA SER B 262 117.601 -4.954 10.116 1.00 0.00 C ATOM 1815 C SER B 262 118.994 -4.326 9.985 1.00 0.00 C ATOM 1816 O SER B 262 119.842 -4.499 10.841 1.00 0.00 O ATOM 1817 CB SER B 262 117.508 -6.218 9.260 1.00 0.00 C ATOM 1818 OG SER B 262 116.217 -6.793 9.410 1.00 0.00 O ATOM 0 H SER B 262 116.035 -4.386 8.770 1.00 0.00 H new ATOM 0 HA SER B 262 117.443 -5.165 11.174 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.692 -5.976 8.213 1.00 0.00 H new ATOM 0 HB3 SER B 262 118.274 -6.932 9.561 1.00 0.00 H new ATOM 0 HG SER B 262 115.671 -6.581 8.624 1.00 0.00 H new ATOM 1824 N LEU B 263 119.230 -3.598 8.918 1.00 0.00 N ATOM 1825 CA LEU B 263 120.568 -2.947 8.721 1.00 0.00 C ATOM 1826 C LEU B 263 120.814 -1.901 9.812 1.00 0.00 C ATOM 1827 O LEU B 263 121.907 -1.788 10.337 1.00 0.00 O ATOM 1828 CB LEU B 263 120.501 -2.277 7.346 1.00 0.00 C ATOM 1829 CG LEU B 263 120.667 -3.334 6.253 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.098 -2.802 4.936 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.156 -3.648 6.072 1.00 0.00 C ATOM 0 H LEU B 263 118.554 -3.426 8.174 1.00 0.00 H new ATOM 0 HA LEU B 263 121.382 -3.669 8.778 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.548 -1.762 7.227 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.283 -1.523 7.259 1.00 0.00 H new ATOM 0 HG LEU B 263 120.133 -4.240 6.540 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.217 -3.556 4.158 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.040 -2.574 5.062 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.632 -1.896 4.648 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.277 -4.401 5.293 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.687 -2.740 5.785 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.565 -4.026 7.009 1.00 0.00 H new