USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 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 7 TYR OH : rot 148:sc= -0.259 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.89 K(o=0.49,f=1.7!) USER MOD Set 1.3: A 36 GLN : amide:sc= -0.143 K(o=0.49,f=1.7) USER MOD Set 2.1: A 17 ASN : amide:sc= -0.839 K(o=-0.84,f=-9.9!) USER MOD Set 2.2: A 19 SER OG : rot -170:sc= 0 USER MOD Single : A 2 SER OG : rot 36:sc= 0.124 USER MOD Single : A 9 SER OG : rot -130:sc= -1.05 USER MOD Single : A 10 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.2!) USER MOD Single : A 16 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -166:sc= -2.27 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 43 SER OG : rot 74:sc= 0.0657 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 11:sc= 1.03 USER MOD Single : A 49 THR OG1 : rot -73:sc= -0.158 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 39:sc= -0.327 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.11) USER MOD Single : B 262 SER OG : rot -30:sc= -0.772 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.380 -1.264 0.715 1.00 0.00 N ATOM 45 CA SER A 2 123.519 -0.065 1.596 1.00 0.00 C ATOM 46 C SER A 2 122.403 0.944 1.310 1.00 0.00 C ATOM 47 O SER A 2 121.570 0.733 0.448 1.00 0.00 O ATOM 48 CB SER A 2 124.881 0.529 1.241 1.00 0.00 C ATOM 49 OG SER A 2 125.902 -0.390 1.605 1.00 0.00 O ATOM 0 HA SER A 2 123.446 -0.322 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.931 0.742 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.025 1.476 1.762 1.00 0.00 H new ATOM 0 HG SER A 2 125.589 -1.305 1.448 1.00 0.00 H new ATOM 55 N VAL A 3 122.386 2.040 2.032 1.00 0.00 N ATOM 56 CA VAL A 3 121.329 3.087 1.813 1.00 0.00 C ATOM 57 C VAL A 3 121.471 3.702 0.413 1.00 0.00 C ATOM 58 O VAL A 3 120.504 4.160 -0.168 1.00 0.00 O ATOM 59 CB VAL A 3 121.559 4.151 2.901 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.493 5.247 2.791 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.465 3.502 4.287 1.00 0.00 C ATOM 0 H VAL A 3 123.060 2.258 2.766 1.00 0.00 H new ATOM 0 HA VAL A 3 120.325 2.667 1.876 1.00 0.00 H new ATOM 0 HB VAL A 3 122.548 4.587 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.661 5.997 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.554 5.717 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.504 4.807 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.628 4.258 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.476 3.061 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.223 2.724 4.377 1.00 0.00 H new ATOM 71 N ALA A 4 122.670 3.717 -0.131 1.00 0.00 N ATOM 72 CA ALA A 4 122.885 4.310 -1.496 1.00 0.00 C ATOM 73 C ALA A 4 121.951 3.651 -2.518 1.00 0.00 C ATOM 74 O ALA A 4 121.532 4.270 -3.479 1.00 0.00 O ATOM 75 CB ALA A 4 124.346 4.007 -1.843 1.00 0.00 C ATOM 0 H ALA A 4 123.510 3.344 0.312 1.00 0.00 H new ATOM 0 HA ALA A 4 122.674 5.379 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.577 4.411 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.999 4.466 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.503 2.928 -1.847 1.00 0.00 H new ATOM 81 N ASP A 5 121.628 2.399 -2.307 1.00 0.00 N ATOM 82 CA ASP A 5 120.628 1.715 -3.188 1.00 0.00 C ATOM 83 C ASP A 5 119.234 2.308 -2.956 1.00 0.00 C ATOM 84 O ASP A 5 118.442 2.425 -3.872 1.00 0.00 O ATOM 85 CB ASP A 5 120.657 0.239 -2.776 1.00 0.00 C ATOM 86 CG ASP A 5 122.021 -0.367 -3.118 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.527 -0.075 -4.190 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.538 -1.111 -2.301 1.00 0.00 O ATOM 0 H ASP A 5 122.014 1.819 -1.562 1.00 0.00 H new ATOM 0 HA ASP A 5 120.862 1.840 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.465 0.146 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.866 -0.307 -3.290 1.00 0.00 H new ATOM 93 N PHE A 6 118.937 2.681 -1.734 1.00 0.00 N ATOM 94 CA PHE A 6 117.603 3.289 -1.428 1.00 0.00 C ATOM 95 C PHE A 6 117.686 4.825 -1.387 1.00 0.00 C ATOM 96 O PHE A 6 116.748 5.485 -0.978 1.00 0.00 O ATOM 97 CB PHE A 6 117.227 2.744 -0.050 1.00 0.00 C ATOM 98 CG PHE A 6 117.087 1.240 -0.010 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.212 0.434 0.294 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.834 0.637 -0.274 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.082 -0.975 0.333 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.705 -0.773 -0.236 1.00 0.00 C ATOM 103 CZ PHE A 6 116.829 -1.579 0.068 1.00 0.00 C ATOM 0 H PHE A 6 119.563 2.590 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 6 116.866 3.040 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.985 3.049 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.287 3.196 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.168 0.894 0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.976 1.252 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.939 -1.590 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.749 -1.233 -0.439 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.731 -2.654 0.098 1.00 0.00 H new ATOM 113 N TYR A 7 118.794 5.400 -1.803 1.00 0.00 N ATOM 114 CA TYR A 7 118.921 6.895 -1.793 1.00 0.00 C ATOM 115 C TYR A 7 117.964 7.511 -2.822 1.00 0.00 C ATOM 116 O TYR A 7 117.950 7.124 -3.976 1.00 0.00 O ATOM 117 CB TYR A 7 120.376 7.169 -2.191 1.00 0.00 C ATOM 118 CG TYR A 7 120.925 8.483 -1.675 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.184 9.680 -1.834 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.195 8.517 -1.048 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.713 10.908 -1.369 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.720 9.747 -0.577 1.00 0.00 C ATOM 123 CZ TYR A 7 121.981 10.941 -0.740 1.00 0.00 C ATOM 124 OH TYR A 7 122.502 12.138 -0.294 1.00 0.00 O ATOM 0 H TYR A 7 119.613 4.899 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 7 118.672 7.326 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 7 121.001 6.357 -1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.451 7.159 -3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.215 9.656 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.763 7.606 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 7 120.149 11.820 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.685 9.772 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 7 123.056 11.979 0.498 1.00 0.00 H new ATOM 134 N GLY A 8 117.168 8.466 -2.407 1.00 0.00 N ATOM 135 CA GLY A 8 116.138 9.052 -3.319 1.00 0.00 C ATOM 136 C GLY A 8 114.880 8.167 -3.361 1.00 0.00 C ATOM 137 O GLY A 8 113.926 8.484 -4.048 1.00 0.00 O ATOM 0 H GLY A 8 117.188 8.867 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.873 10.053 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.550 9.154 -4.323 1.00 0.00 H new ATOM 141 N SER A 9 114.862 7.061 -2.645 1.00 0.00 N ATOM 142 CA SER A 9 113.641 6.195 -2.624 1.00 0.00 C ATOM 143 C SER A 9 112.559 6.816 -1.735 1.00 0.00 C ATOM 144 O SER A 9 112.842 7.312 -0.660 1.00 0.00 O ATOM 145 CB SER A 9 114.104 4.859 -2.039 1.00 0.00 C ATOM 146 OG SER A 9 115.131 4.318 -2.859 1.00 0.00 O ATOM 0 H SER A 9 115.640 6.725 -2.077 1.00 0.00 H new ATOM 0 HA SER A 9 113.209 6.079 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.471 5.002 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 9 113.266 4.165 -1.980 1.00 0.00 H new ATOM 0 HG SER A 9 114.922 3.385 -3.073 1.00 0.00 H new ATOM 152 N ASN A 10 111.327 6.793 -2.179 1.00 0.00 N ATOM 153 CA ASN A 10 110.201 7.270 -1.316 1.00 0.00 C ATOM 154 C ASN A 10 109.739 6.140 -0.398 1.00 0.00 C ATOM 155 O ASN A 10 109.301 5.099 -0.853 1.00 0.00 O ATOM 156 CB ASN A 10 109.082 7.659 -2.285 1.00 0.00 C ATOM 157 CG ASN A 10 108.145 8.667 -1.613 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.903 8.591 -0.425 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.605 9.614 -2.329 1.00 0.00 N ATOM 0 H ASN A 10 111.051 6.464 -3.104 1.00 0.00 H new ATOM 0 HA ASN A 10 110.494 8.107 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.506 8.091 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.523 6.773 -2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.980 10.291 -1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.808 9.678 -3.327 1.00 0.00 H new ATOM 166 N VAL A 11 109.836 6.343 0.889 1.00 0.00 N ATOM 167 CA VAL A 11 109.408 5.286 1.856 1.00 0.00 C ATOM 168 C VAL A 11 108.733 5.937 3.063 1.00 0.00 C ATOM 169 O VAL A 11 108.882 7.123 3.296 1.00 0.00 O ATOM 170 CB VAL A 11 110.695 4.548 2.272 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.327 3.882 1.046 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.702 5.534 2.885 1.00 0.00 C ATOM 0 H VAL A 11 110.194 7.198 1.315 1.00 0.00 H new ATOM 0 HA VAL A 11 108.688 4.594 1.419 1.00 0.00 H new ATOM 0 HB VAL A 11 110.438 3.791 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.237 3.361 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.624 3.168 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.570 4.642 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.606 4.998 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.953 6.300 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.262 6.004 3.765 1.00 0.00 H new ATOM 182 N GLU A 12 107.993 5.175 3.830 1.00 0.00 N ATOM 183 CA GLU A 12 107.345 5.749 5.048 1.00 0.00 C ATOM 184 C GLU A 12 108.020 5.200 6.309 1.00 0.00 C ATOM 185 O GLU A 12 108.174 4.005 6.473 1.00 0.00 O ATOM 186 CB GLU A 12 105.887 5.287 4.970 1.00 0.00 C ATOM 187 CG GLU A 12 105.078 5.918 6.110 1.00 0.00 C ATOM 188 CD GLU A 12 103.602 5.537 5.969 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.331 4.392 5.646 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.766 6.399 6.186 1.00 0.00 O ATOM 0 H GLU A 12 107.811 4.185 3.666 1.00 0.00 H new ATOM 0 HA GLU A 12 107.426 6.835 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.458 5.569 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.837 4.200 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.461 5.578 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.187 7.002 6.089 1.00 0.00 H new ATOM 197 N VAL A 13 108.423 6.073 7.198 1.00 0.00 N ATOM 198 CA VAL A 13 109.113 5.621 8.444 1.00 0.00 C ATOM 199 C VAL A 13 108.171 5.767 9.644 1.00 0.00 C ATOM 200 O VAL A 13 107.607 6.821 9.875 1.00 0.00 O ATOM 201 CB VAL A 13 110.326 6.557 8.591 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.138 6.168 9.831 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.222 6.445 7.350 1.00 0.00 C ATOM 0 H VAL A 13 108.303 7.082 7.114 1.00 0.00 H new ATOM 0 HA VAL A 13 109.413 4.574 8.397 1.00 0.00 H new ATOM 0 HB VAL A 13 109.969 7.582 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.995 6.835 9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.510 6.252 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.487 5.141 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.079 7.109 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.570 5.418 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.654 6.728 6.464 1.00 0.00 H new ATOM 213 N LEU A 14 108.001 4.714 10.404 1.00 0.00 N ATOM 214 CA LEU A 14 107.201 4.809 11.661 1.00 0.00 C ATOM 215 C LEU A 14 108.148 5.035 12.843 1.00 0.00 C ATOM 216 O LEU A 14 109.080 4.280 13.052 1.00 0.00 O ATOM 217 CB LEU A 14 106.489 3.454 11.780 1.00 0.00 C ATOM 218 CG LEU A 14 105.608 3.428 13.035 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.368 4.294 12.814 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.176 1.988 13.321 1.00 0.00 C ATOM 0 H LEU A 14 108.384 3.790 10.206 1.00 0.00 H new ATOM 0 HA LEU A 14 106.488 5.634 11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.879 3.276 10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.225 2.651 11.826 1.00 0.00 H new ATOM 0 HG LEU A 14 106.174 3.818 13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.745 4.272 13.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.673 5.320 12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.801 3.908 11.967 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.550 1.966 14.213 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.612 1.602 12.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.058 1.369 13.482 1.00 0.00 H new ATOM 232 N LEU A 15 107.914 6.066 13.615 1.00 0.00 N ATOM 233 CA LEU A 15 108.890 6.442 14.684 1.00 0.00 C ATOM 234 C LEU A 15 108.492 5.832 16.035 1.00 0.00 C ATOM 235 O LEU A 15 107.393 5.338 16.206 1.00 0.00 O ATOM 236 CB LEU A 15 108.843 7.970 14.749 1.00 0.00 C ATOM 237 CG LEU A 15 109.402 8.559 13.451 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.099 10.058 13.401 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.917 8.346 13.404 1.00 0.00 C ATOM 0 H LEU A 15 107.090 6.664 13.552 1.00 0.00 H new ATOM 0 HA LEU A 15 109.891 6.071 14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.817 8.306 14.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.423 8.325 15.601 1.00 0.00 H new ATOM 0 HG LEU A 15 108.938 8.063 12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.496 10.479 12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.021 10.213 13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.564 10.552 14.254 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.315 8.765 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.381 8.842 14.257 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.136 7.279 13.442 1.00 0.00 H new ATOM 251 N ASN A 16 109.393 5.871 16.991 1.00 0.00 N ATOM 252 CA ASN A 16 109.132 5.237 18.333 1.00 0.00 C ATOM 253 C ASN A 16 107.885 5.833 19.007 1.00 0.00 C ATOM 254 O ASN A 16 107.288 5.216 19.869 1.00 0.00 O ATOM 255 CB ASN A 16 110.388 5.531 19.174 1.00 0.00 C ATOM 256 CG ASN A 16 110.623 7.045 19.282 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.775 7.770 19.765 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.745 7.551 18.850 1.00 0.00 N ATOM 0 H ASN A 16 110.306 6.317 16.901 1.00 0.00 H new ATOM 0 HA ASN A 16 108.942 4.168 18.233 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.274 5.103 20.170 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.256 5.054 18.720 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.911 8.555 18.917 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.456 6.943 18.445 1.00 0.00 H new ATOM 265 N ASN A 17 107.494 7.023 18.618 1.00 0.00 N ATOM 266 CA ASN A 17 106.337 7.699 19.287 1.00 0.00 C ATOM 267 C ASN A 17 105.022 7.403 18.541 1.00 0.00 C ATOM 268 O ASN A 17 104.074 8.158 18.631 1.00 0.00 O ATOM 269 CB ASN A 17 106.668 9.202 19.249 1.00 0.00 C ATOM 270 CG ASN A 17 106.749 9.709 17.801 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.936 8.939 16.879 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.617 10.986 17.564 1.00 0.00 N ATOM 0 H ASN A 17 107.927 7.557 17.864 1.00 0.00 H new ATOM 0 HA ASN A 17 106.194 7.344 20.307 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.905 9.760 19.792 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.616 9.383 19.755 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.671 11.335 16.607 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.460 11.634 18.336 1.00 0.00 H new ATOM 279 N ASP A 18 104.965 6.308 17.802 1.00 0.00 N ATOM 280 CA ASP A 18 103.690 5.889 17.118 1.00 0.00 C ATOM 281 C ASP A 18 103.207 6.985 16.156 1.00 0.00 C ATOM 282 O ASP A 18 102.024 7.109 15.896 1.00 0.00 O ATOM 283 CB ASP A 18 102.657 5.654 18.233 1.00 0.00 C ATOM 284 CG ASP A 18 103.127 4.512 19.136 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.818 4.793 20.102 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.787 3.376 18.848 1.00 0.00 O ATOM 0 H ASP A 18 105.756 5.683 17.644 1.00 0.00 H new ATOM 0 HA ASP A 18 103.840 4.988 16.524 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.526 6.564 18.819 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.687 5.412 17.799 1.00 0.00 H new ATOM 291 N SER A 19 104.113 7.781 15.631 1.00 0.00 N ATOM 292 CA SER A 19 103.734 8.763 14.572 1.00 0.00 C ATOM 293 C SER A 19 104.259 8.285 13.217 1.00 0.00 C ATOM 294 O SER A 19 105.342 7.735 13.124 1.00 0.00 O ATOM 295 CB SER A 19 104.411 10.070 14.982 1.00 0.00 C ATOM 296 OG SER A 19 103.960 10.447 16.276 1.00 0.00 O ATOM 0 H SER A 19 105.099 7.789 15.894 1.00 0.00 H new ATOM 0 HA SER A 19 102.655 8.882 14.477 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.494 9.947 14.983 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.180 10.854 14.261 1.00 0.00 H new ATOM 0 HG SER A 19 104.266 11.356 16.477 1.00 0.00 H new ATOM 302 N LYS A 20 103.502 8.492 12.168 1.00 0.00 N ATOM 303 CA LYS A 20 103.917 7.986 10.825 1.00 0.00 C ATOM 304 C LYS A 20 104.312 9.145 9.908 1.00 0.00 C ATOM 305 O LYS A 20 103.723 10.210 9.951 1.00 0.00 O ATOM 306 CB LYS A 20 102.675 7.284 10.273 1.00 0.00 C ATOM 307 CG LYS A 20 102.508 5.923 10.951 1.00 0.00 C ATOM 308 CD LYS A 20 101.234 5.249 10.438 1.00 0.00 C ATOM 309 CE LYS A 20 101.018 3.930 11.183 1.00 0.00 C ATOM 310 NZ LYS A 20 99.726 3.403 10.664 1.00 0.00 N ATOM 0 H LYS A 20 102.613 8.991 12.185 1.00 0.00 H new ATOM 0 HA LYS A 20 104.781 7.324 10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.791 7.898 10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.767 7.155 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.373 5.293 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.456 6.048 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.377 5.907 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.314 5.065 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.834 3.232 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.976 4.087 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.509 2.498 11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.967 4.086 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.798 3.257 9.637 1.00 0.00 H new ATOM 324 N ALA A 21 105.306 8.940 9.080 1.00 0.00 N ATOM 325 CA ALA A 21 105.697 9.990 8.087 1.00 0.00 C ATOM 326 C ALA A 21 106.353 9.339 6.867 1.00 0.00 C ATOM 327 O ALA A 21 106.883 8.248 6.952 1.00 0.00 O ATOM 328 CB ALA A 21 106.694 10.885 8.824 1.00 0.00 C ATOM 0 H ALA A 21 105.866 8.088 9.048 1.00 0.00 H new ATOM 0 HA ALA A 21 104.840 10.556 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.028 11.682 8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.213 11.321 9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.552 10.291 9.139 1.00 0.00 H new ATOM 334 N ARG A 22 106.321 10.000 5.733 1.00 0.00 N ATOM 335 CA ARG A 22 106.972 9.435 4.510 1.00 0.00 C ATOM 336 C ARG A 22 107.626 10.548 3.689 1.00 0.00 C ATOM 337 O ARG A 22 107.216 11.692 3.745 1.00 0.00 O ATOM 338 CB ARG A 22 105.844 8.751 3.719 1.00 0.00 C ATOM 339 CG ARG A 22 104.757 9.768 3.340 1.00 0.00 C ATOM 340 CD ARG A 22 103.523 9.026 2.819 1.00 0.00 C ATOM 341 NE ARG A 22 102.601 10.099 2.332 1.00 0.00 N ATOM 342 CZ ARG A 22 102.803 10.715 1.183 1.00 0.00 C ATOM 343 NH1 ARG A 22 103.834 10.431 0.419 1.00 0.00 N ATOM 344 NH2 ARG A 22 101.960 11.633 0.796 1.00 0.00 N ATOM 0 H ARG A 22 105.872 10.906 5.603 1.00 0.00 H new ATOM 0 HA ARG A 22 107.764 8.729 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.251 8.292 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.408 7.950 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.492 10.373 4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.133 10.451 2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.786 8.338 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 22 103.057 8.433 3.606 1.00 0.00 H new ATOM 0 HE ARG A 22 101.797 10.361 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 22 104.503 9.718 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 22 103.965 10.923 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 22 101.157 11.866 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 22 102.104 12.117 -0.090 1.00 0.00 H new ATOM 358 N GLY A 23 108.643 10.213 2.932 1.00 0.00 N ATOM 359 CA GLY A 23 109.348 11.249 2.119 1.00 0.00 C ATOM 360 C GLY A 23 110.346 10.559 1.188 1.00 0.00 C ATOM 361 O GLY A 23 110.585 9.371 1.296 1.00 0.00 O ATOM 0 H GLY A 23 109.014 9.267 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.628 11.825 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.866 11.951 2.772 1.00 0.00 H new ATOM 365 N VAL A 24 110.929 11.297 0.274 1.00 0.00 N ATOM 366 CA VAL A 24 111.967 10.704 -0.627 1.00 0.00 C ATOM 367 C VAL A 24 113.357 10.967 -0.040 1.00 0.00 C ATOM 368 O VAL A 24 113.707 12.089 0.260 1.00 0.00 O ATOM 369 CB VAL A 24 111.803 11.428 -1.976 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.763 10.826 -3.009 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.364 11.273 -2.483 1.00 0.00 C ATOM 0 H VAL A 24 110.731 12.285 0.113 1.00 0.00 H new ATOM 0 HA VAL A 24 111.855 9.626 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 24 112.029 12.485 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.643 11.342 -3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.790 10.940 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.540 9.767 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.257 11.788 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 24 110.136 10.215 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.674 11.705 -1.758 1.00 0.00 H new ATOM 381 N ILE A 25 114.148 9.935 0.119 1.00 0.00 N ATOM 382 CA ILE A 25 115.443 10.075 0.870 1.00 0.00 C ATOM 383 C ILE A 25 116.375 11.079 0.172 1.00 0.00 C ATOM 384 O ILE A 25 116.496 11.096 -1.039 1.00 0.00 O ATOM 385 CB ILE A 25 116.046 8.656 0.889 1.00 0.00 C ATOM 386 CG1 ILE A 25 115.261 7.793 1.881 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.524 8.691 1.308 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.524 6.313 1.595 1.00 0.00 C ATOM 0 H ILE A 25 113.956 8.999 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 25 115.297 10.461 1.879 1.00 0.00 H new ATOM 0 HB ILE A 25 115.982 8.236 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.557 8.035 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 25 114.195 8.006 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.925 7.677 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.088 9.301 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.609 9.120 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.964 5.701 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.206 6.077 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.589 6.106 1.699 1.00 0.00 H new ATOM 400 N THR A 26 117.031 11.914 0.947 1.00 0.00 N ATOM 401 CA THR A 26 117.956 12.932 0.365 1.00 0.00 C ATOM 402 C THR A 26 119.385 12.765 0.901 1.00 0.00 C ATOM 403 O THR A 26 120.322 13.241 0.287 1.00 0.00 O ATOM 404 CB THR A 26 117.384 14.289 0.782 1.00 0.00 C ATOM 405 OG1 THR A 26 117.027 14.256 2.157 1.00 0.00 O ATOM 406 CG2 THR A 26 116.152 14.610 -0.064 1.00 0.00 C ATOM 0 H THR A 26 116.962 11.931 1.965 1.00 0.00 H new ATOM 0 HA THR A 26 118.023 12.829 -0.718 1.00 0.00 H new ATOM 0 HB THR A 26 118.138 15.061 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.465 15.031 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.747 15.577 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.432 14.644 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.397 13.838 0.085 1.00 0.00 H new ATOM 414 N ASN A 27 119.578 12.108 2.034 1.00 0.00 N ATOM 415 CA ASN A 27 120.983 11.881 2.521 1.00 0.00 C ATOM 416 C ASN A 27 121.037 10.826 3.631 1.00 0.00 C ATOM 417 O ASN A 27 120.056 10.548 4.292 1.00 0.00 O ATOM 418 CB ASN A 27 121.447 13.238 3.058 1.00 0.00 C ATOM 419 CG ASN A 27 122.967 13.353 2.922 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.539 12.897 1.951 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.651 13.948 3.861 1.00 0.00 N ATOM 0 H ASN A 27 118.840 11.729 2.627 1.00 0.00 H new ATOM 0 HA ASN A 27 121.620 11.509 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.961 14.043 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.156 13.345 4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.664 14.030 3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.172 14.331 4.676 1.00 0.00 H new ATOM 428 N PHE A 28 122.197 10.240 3.823 1.00 0.00 N ATOM 429 CA PHE A 28 122.419 9.306 4.968 1.00 0.00 C ATOM 430 C PHE A 28 123.890 9.366 5.388 1.00 0.00 C ATOM 431 O PHE A 28 124.779 9.130 4.589 1.00 0.00 O ATOM 432 CB PHE A 28 122.061 7.918 4.438 1.00 0.00 C ATOM 433 CG PHE A 28 122.207 6.822 5.468 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.115 6.487 6.307 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.437 6.132 5.597 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.255 5.463 7.274 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.576 5.106 6.565 1.00 0.00 C ATOM 438 CZ PHE A 28 122.485 4.772 7.403 1.00 0.00 C ATOM 0 H PHE A 28 123.011 10.374 3.223 1.00 0.00 H new ATOM 0 HA PHE A 28 121.817 9.560 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 28 121.033 7.930 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.697 7.689 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.177 7.013 6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.269 6.388 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.423 5.208 7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.514 4.579 6.663 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.590 3.990 8.141 1.00 0.00 H new ATOM 448 N ASP A 29 124.149 9.678 6.632 1.00 0.00 N ATOM 449 CA ASP A 29 125.560 9.803 7.103 1.00 0.00 C ATOM 450 C ASP A 29 125.973 8.507 7.791 1.00 0.00 C ATOM 451 O ASP A 29 125.267 8.014 8.641 1.00 0.00 O ATOM 452 CB ASP A 29 125.547 10.962 8.099 1.00 0.00 C ATOM 453 CG ASP A 29 126.983 11.315 8.495 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.467 10.746 9.458 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.573 12.148 7.826 1.00 0.00 O ATOM 0 H ASP A 29 123.440 9.852 7.344 1.00 0.00 H new ATOM 0 HA ASP A 29 126.264 9.984 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.057 11.830 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.972 10.688 8.984 1.00 0.00 H new ATOM 460 N SER A 30 127.101 7.952 7.428 1.00 0.00 N ATOM 461 CA SER A 30 127.507 6.632 8.009 1.00 0.00 C ATOM 462 C SER A 30 127.869 6.782 9.489 1.00 0.00 C ATOM 463 O SER A 30 127.361 6.066 10.332 1.00 0.00 O ATOM 464 CB SER A 30 128.727 6.186 7.202 1.00 0.00 C ATOM 465 OG SER A 30 129.079 4.861 7.575 1.00 0.00 O ATOM 0 H SER A 30 127.757 8.352 6.758 1.00 0.00 H new ATOM 0 HA SER A 30 126.698 5.903 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.507 6.229 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 30 129.563 6.861 7.383 1.00 0.00 H new ATOM 0 HG SER A 30 129.860 4.572 7.058 1.00 0.00 H new ATOM 471 N SER A 31 128.738 7.712 9.809 1.00 0.00 N ATOM 472 CA SER A 31 129.231 7.839 11.221 1.00 0.00 C ATOM 473 C SER A 31 128.069 8.112 12.185 1.00 0.00 C ATOM 474 O SER A 31 128.010 7.558 13.267 1.00 0.00 O ATOM 475 CB SER A 31 130.199 9.023 11.209 1.00 0.00 C ATOM 476 OG SER A 31 130.858 9.105 12.465 1.00 0.00 O ATOM 0 H SER A 31 129.128 8.390 9.154 1.00 0.00 H new ATOM 0 HA SER A 31 129.710 6.921 11.560 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.930 8.902 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.658 9.948 11.009 1.00 0.00 H new ATOM 0 HG SER A 31 131.480 9.862 12.459 1.00 0.00 H new ATOM 482 N ASN A 32 127.149 8.959 11.795 1.00 0.00 N ATOM 483 CA ASN A 32 126.016 9.318 12.705 1.00 0.00 C ATOM 484 C ASN A 32 124.710 8.619 12.289 1.00 0.00 C ATOM 485 O ASN A 32 123.736 8.650 13.017 1.00 0.00 O ATOM 486 CB ASN A 32 125.870 10.835 12.569 1.00 0.00 C ATOM 487 CG ASN A 32 127.109 11.527 13.145 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.665 11.083 14.131 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.567 12.604 12.569 1.00 0.00 N ATOM 0 H ASN A 32 127.133 9.418 10.884 1.00 0.00 H new ATOM 0 HA ASN A 32 126.214 9.003 13.729 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.745 11.105 11.520 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.976 11.172 13.094 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.391 13.073 12.946 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.101 12.977 11.742 1.00 0.00 H new ATOM 496 N SER A 33 124.673 7.984 11.129 1.00 0.00 N ATOM 497 CA SER A 33 123.390 7.387 10.609 1.00 0.00 C ATOM 498 C SER A 33 122.248 8.415 10.660 1.00 0.00 C ATOM 499 O SER A 33 121.301 8.274 11.415 1.00 0.00 O ATOM 500 CB SER A 33 123.098 6.190 11.520 1.00 0.00 C ATOM 501 OG SER A 33 123.831 5.062 11.062 1.00 0.00 O ATOM 0 H SER A 33 125.481 7.854 10.520 1.00 0.00 H new ATOM 0 HA SER A 33 123.478 7.083 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.374 6.425 12.548 1.00 0.00 H new ATOM 0 HB3 SER A 33 122.031 5.969 11.519 1.00 0.00 H new ATOM 0 HG SER A 33 123.648 4.295 11.644 1.00 0.00 H new ATOM 507 N ILE A 34 122.338 9.447 9.856 1.00 0.00 N ATOM 508 CA ILE A 34 121.314 10.541 9.911 1.00 0.00 C ATOM 509 C ILE A 34 120.636 10.669 8.546 1.00 0.00 C ATOM 510 O ILE A 34 121.292 10.833 7.537 1.00 0.00 O ATOM 511 CB ILE A 34 122.092 11.824 10.255 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.913 11.630 11.551 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.114 12.992 10.435 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.000 11.338 12.756 1.00 0.00 C ATOM 0 H ILE A 34 123.075 9.580 9.164 1.00 0.00 H new ATOM 0 HA ILE A 34 120.536 10.345 10.648 1.00 0.00 H new ATOM 0 HB ILE A 34 122.777 12.045 9.436 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.617 10.808 11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.502 12.526 11.748 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.670 13.898 10.678 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.557 13.146 9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.420 12.764 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.609 11.207 13.651 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.314 12.172 12.903 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.430 10.428 12.569 1.00 0.00 H new ATOM 526 N LEU A 35 119.329 10.600 8.513 1.00 0.00 N ATOM 527 CA LEU A 35 118.609 10.486 7.210 1.00 0.00 C ATOM 528 C LEU A 35 117.738 11.718 6.969 1.00 0.00 C ATOM 529 O LEU A 35 116.842 12.015 7.736 1.00 0.00 O ATOM 530 CB LEU A 35 117.741 9.235 7.361 1.00 0.00 C ATOM 531 CG LEU A 35 117.066 8.905 6.028 1.00 0.00 C ATOM 532 CD1 LEU A 35 118.026 8.099 5.151 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.803 8.082 6.291 1.00 0.00 C ATOM 0 H LEU A 35 118.728 10.618 9.337 1.00 0.00 H new ATOM 0 HA LEU A 35 119.291 10.418 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.353 8.394 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.986 9.396 8.131 1.00 0.00 H new ATOM 0 HG LEU A 35 116.801 9.830 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.543 7.865 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.927 8.684 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.293 7.173 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.319 7.845 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 35 116.071 7.158 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.118 8.656 6.914 1.00 0.00 H new ATOM 545 N GLN A 36 118.003 12.433 5.906 1.00 0.00 N ATOM 546 CA GLN A 36 117.089 13.534 5.494 1.00 0.00 C ATOM 547 C GLN A 36 116.045 12.987 4.526 1.00 0.00 C ATOM 548 O GLN A 36 116.376 12.279 3.594 1.00 0.00 O ATOM 549 CB GLN A 36 117.984 14.557 4.791 1.00 0.00 C ATOM 550 CG GLN A 36 118.899 15.226 5.819 1.00 0.00 C ATOM 551 CD GLN A 36 119.742 16.300 5.128 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.267 17.386 4.863 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.985 16.040 4.825 1.00 0.00 N ATOM 0 H GLN A 36 118.816 12.299 5.305 1.00 0.00 H new ATOM 0 HA GLN A 36 116.559 13.977 6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.581 14.066 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.373 15.307 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.304 15.672 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.547 14.483 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.384 15.128 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.557 16.749 4.366 1.00 0.00 H new ATOM 562 N LEU A 37 114.791 13.302 4.745 1.00 0.00 N ATOM 563 CA LEU A 37 113.731 12.876 3.781 1.00 0.00 C ATOM 564 C LEU A 37 113.053 14.104 3.173 1.00 0.00 C ATOM 565 O LEU A 37 112.532 14.949 3.878 1.00 0.00 O ATOM 566 CB LEU A 37 112.728 12.082 4.621 1.00 0.00 C ATOM 567 CG LEU A 37 113.372 10.780 5.103 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.554 10.206 6.262 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.405 9.769 3.953 1.00 0.00 C ATOM 0 H LEU A 37 114.457 13.835 5.548 1.00 0.00 H new ATOM 0 HA LEU A 37 114.134 12.287 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.404 12.676 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.839 11.862 4.030 1.00 0.00 H new ATOM 0 HG LEU A 37 114.389 10.981 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 37 113.012 9.279 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.530 10.925 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.537 10.005 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.864 8.842 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.388 9.568 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.987 10.177 3.126 1.00 0.00 H new ATOM 581 N ARG A 38 113.059 14.204 1.868 1.00 0.00 N ATOM 582 CA ARG A 38 112.302 15.300 1.187 1.00 0.00 C ATOM 583 C ARG A 38 111.036 14.739 0.529 1.00 0.00 C ATOM 584 O ARG A 38 111.103 14.076 -0.489 1.00 0.00 O ATOM 585 CB ARG A 38 113.265 15.839 0.127 1.00 0.00 C ATOM 586 CG ARG A 38 112.663 17.084 -0.531 1.00 0.00 C ATOM 587 CD ARG A 38 113.607 17.590 -1.625 1.00 0.00 C ATOM 588 NE ARG A 38 112.990 18.862 -2.115 1.00 0.00 N ATOM 589 CZ ARG A 38 113.069 19.982 -1.421 1.00 0.00 C ATOM 590 NH1 ARG A 38 113.679 20.031 -0.258 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.522 21.066 -1.899 1.00 0.00 N ATOM 0 H ARG A 38 113.557 13.572 1.242 1.00 0.00 H new ATOM 0 HA ARG A 38 111.980 16.077 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.224 16.085 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.457 15.075 -0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.688 16.848 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.504 17.862 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.609 17.764 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.703 16.862 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 38 112.496 18.864 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.106 19.190 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 38 113.725 20.910 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.041 21.041 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 38 112.575 21.939 -1.373 1.00 0.00 H new ATOM 605 N LEU A 39 109.890 15.003 1.103 1.00 0.00 N ATOM 606 CA LEU A 39 108.617 14.435 0.553 1.00 0.00 C ATOM 607 C LEU A 39 108.085 15.311 -0.594 1.00 0.00 C ATOM 608 O LEU A 39 108.389 16.489 -0.684 1.00 0.00 O ATOM 609 CB LEU A 39 107.652 14.416 1.749 1.00 0.00 C ATOM 610 CG LEU A 39 106.256 13.909 1.344 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.326 12.475 0.803 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.360 13.924 2.580 1.00 0.00 C ATOM 0 H LEU A 39 109.778 15.588 1.931 1.00 0.00 H new ATOM 0 HA LEU A 39 108.749 13.440 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.058 13.778 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.568 15.420 2.165 1.00 0.00 H new ATOM 0 HG LEU A 39 105.859 14.556 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.326 12.142 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.975 12.448 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.727 11.815 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.365 13.568 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.785 13.274 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.289 14.941 2.966 1.00 0.00 H new ATOM 624 N ALA A 40 107.285 14.732 -1.461 1.00 0.00 N ATOM 625 CA ALA A 40 106.874 15.433 -2.726 1.00 0.00 C ATOM 626 C ALA A 40 105.957 16.637 -2.451 1.00 0.00 C ATOM 627 O ALA A 40 105.578 17.344 -3.367 1.00 0.00 O ATOM 628 CB ALA A 40 106.125 14.378 -3.545 1.00 0.00 C ATOM 0 H ALA A 40 106.895 13.796 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 40 107.745 15.832 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.793 14.816 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.789 13.538 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.260 14.027 -2.982 1.00 0.00 H new ATOM 634 N ASN A 41 105.593 16.881 -1.210 1.00 0.00 N ATOM 635 CA ASN A 41 104.816 18.118 -0.877 1.00 0.00 C ATOM 636 C ASN A 41 105.766 19.302 -0.609 1.00 0.00 C ATOM 637 O ASN A 41 105.440 20.190 0.156 1.00 0.00 O ATOM 638 CB ASN A 41 104.027 17.768 0.388 1.00 0.00 C ATOM 639 CG ASN A 41 102.982 16.698 0.062 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.395 16.707 -1.002 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.724 15.768 0.941 1.00 0.00 N ATOM 0 H ASN A 41 105.801 16.276 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 41 104.163 18.419 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.704 17.406 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.539 18.659 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 41 102.030 15.049 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 41 103.216 15.760 1.834 1.00 0.00 H new ATOM 648 N ASP A 42 106.942 19.321 -1.225 1.00 0.00 N ATOM 649 CA ASP A 42 107.884 20.487 -1.087 1.00 0.00 C ATOM 650 C ASP A 42 108.287 20.674 0.382 1.00 0.00 C ATOM 651 O ASP A 42 108.532 21.782 0.825 1.00 0.00 O ATOM 652 CB ASP A 42 107.126 21.725 -1.602 1.00 0.00 C ATOM 653 CG ASP A 42 106.771 21.536 -3.080 1.00 0.00 C ATOM 654 OD1 ASP A 42 107.611 21.042 -3.815 1.00 0.00 O ATOM 655 OD2 ASP A 42 105.664 21.890 -3.452 1.00 0.00 O ATOM 0 H ASP A 42 107.286 18.568 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 42 108.800 20.325 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.219 21.877 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.740 22.617 -1.477 1.00 0.00 H new ATOM 660 N SER A 43 108.359 19.598 1.141 1.00 0.00 N ATOM 661 CA SER A 43 108.806 19.709 2.562 1.00 0.00 C ATOM 662 C SER A 43 109.974 18.756 2.819 1.00 0.00 C ATOM 663 O SER A 43 109.976 17.628 2.362 1.00 0.00 O ATOM 664 CB SER A 43 107.588 19.305 3.393 1.00 0.00 C ATOM 665 OG SER A 43 106.547 20.252 3.192 1.00 0.00 O ATOM 0 H SER A 43 108.127 18.654 0.833 1.00 0.00 H new ATOM 0 HA SER A 43 109.152 20.712 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.250 18.310 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 43 107.853 19.258 4.449 1.00 0.00 H new ATOM 0 HG SER A 43 106.152 20.120 2.305 1.00 0.00 H new ATOM 671 N THR A 44 110.967 19.205 3.547 1.00 0.00 N ATOM 672 CA THR A 44 112.147 18.334 3.845 1.00 0.00 C ATOM 673 C THR A 44 112.415 18.311 5.353 1.00 0.00 C ATOM 674 O THR A 44 112.160 19.276 6.049 1.00 0.00 O ATOM 675 CB THR A 44 113.325 18.957 3.077 1.00 0.00 C ATOM 676 OG1 THR A 44 114.494 18.181 3.303 1.00 0.00 O ATOM 677 CG2 THR A 44 113.570 20.399 3.542 1.00 0.00 C ATOM 0 H THR A 44 111.011 20.141 3.949 1.00 0.00 H new ATOM 0 HA THR A 44 111.985 17.300 3.541 1.00 0.00 H new ATOM 0 HB THR A 44 113.086 18.970 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.247 18.574 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.407 20.823 2.987 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.676 20.996 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.801 20.403 4.607 1.00 0.00 H new ATOM 685 N LYS A 45 112.928 17.215 5.856 1.00 0.00 N ATOM 686 CA LYS A 45 113.181 17.108 7.326 1.00 0.00 C ATOM 687 C LYS A 45 114.365 16.178 7.602 1.00 0.00 C ATOM 688 O LYS A 45 114.482 15.118 7.014 1.00 0.00 O ATOM 689 CB LYS A 45 111.891 16.526 7.907 1.00 0.00 C ATOM 690 CG LYS A 45 111.943 16.590 9.435 1.00 0.00 C ATOM 691 CD LYS A 45 110.673 15.965 10.016 1.00 0.00 C ATOM 692 CE LYS A 45 110.639 16.191 11.530 1.00 0.00 C ATOM 693 NZ LYS A 45 109.254 15.830 11.941 1.00 0.00 N ATOM 0 H LYS A 45 113.182 16.390 5.312 1.00 0.00 H new ATOM 0 HA LYS A 45 113.432 18.071 7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.030 17.084 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.766 15.494 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.822 16.060 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 45 112.034 17.625 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.792 16.408 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.647 14.898 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 45 111.376 15.570 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.868 17.227 11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.152 15.959 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.574 16.442 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.067 14.837 11.697 1.00 0.00 H new ATOM 707 N SER A 46 115.242 16.572 8.495 1.00 0.00 N ATOM 708 CA SER A 46 116.389 15.691 8.871 1.00 0.00 C ATOM 709 C SER A 46 116.035 14.869 10.112 1.00 0.00 C ATOM 710 O SER A 46 115.722 15.413 11.155 1.00 0.00 O ATOM 711 CB SER A 46 117.544 16.647 9.172 1.00 0.00 C ATOM 712 OG SER A 46 117.241 17.394 10.343 1.00 0.00 O ATOM 0 H SER A 46 115.211 17.469 8.980 1.00 0.00 H new ATOM 0 HA SER A 46 116.643 14.984 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.468 16.086 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.704 17.319 8.329 1.00 0.00 H new ATOM 0 HG SER A 46 116.453 17.010 10.781 1.00 0.00 H new ATOM 718 N ILE A 47 116.081 13.562 10.005 1.00 0.00 N ATOM 719 CA ILE A 47 115.736 12.691 11.171 1.00 0.00 C ATOM 720 C ILE A 47 116.851 11.663 11.387 1.00 0.00 C ATOM 721 O ILE A 47 117.332 11.057 10.447 1.00 0.00 O ATOM 722 CB ILE A 47 114.413 12.000 10.796 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.329 13.055 10.530 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.957 11.095 11.946 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.111 12.389 9.885 1.00 0.00 C ATOM 0 H ILE A 47 116.344 13.060 9.157 1.00 0.00 H new ATOM 0 HA ILE A 47 115.632 13.256 12.097 1.00 0.00 H new ATOM 0 HB ILE A 47 114.570 11.403 9.898 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.040 13.538 11.464 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.719 13.835 9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 47 113.020 10.608 11.676 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.718 10.338 12.137 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.809 11.695 12.844 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.343 13.139 9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.405 11.927 8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.716 11.626 10.555 1.00 0.00 H new ATOM 737 N VAL A 48 117.261 11.467 12.615 1.00 0.00 N ATOM 738 CA VAL A 48 118.333 10.460 12.897 1.00 0.00 C ATOM 739 C VAL A 48 117.705 9.059 12.975 1.00 0.00 C ATOM 740 O VAL A 48 116.759 8.836 13.700 1.00 0.00 O ATOM 741 CB VAL A 48 118.941 10.885 14.249 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.065 9.917 14.647 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.499 12.317 14.148 1.00 0.00 C ATOM 0 H VAL A 48 116.902 11.959 13.433 1.00 0.00 H new ATOM 0 HA VAL A 48 119.098 10.422 12.122 1.00 0.00 H new ATOM 0 HB VAL A 48 118.161 10.858 15.010 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.489 10.225 15.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.662 8.908 14.737 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.843 9.930 13.884 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.927 12.609 15.107 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.272 12.353 13.380 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.694 13.003 13.885 1.00 0.00 H new ATOM 753 N THR A 49 118.234 8.119 12.229 1.00 0.00 N ATOM 754 CA THR A 49 117.544 6.791 12.055 1.00 0.00 C ATOM 755 C THR A 49 117.319 6.086 13.397 1.00 0.00 C ATOM 756 O THR A 49 116.425 5.271 13.532 1.00 0.00 O ATOM 757 CB THR A 49 118.486 5.959 11.177 1.00 0.00 C ATOM 758 OG1 THR A 49 119.763 5.887 11.793 1.00 0.00 O ATOM 759 CG2 THR A 49 118.616 6.607 9.797 1.00 0.00 C ATOM 0 H THR A 49 119.118 8.210 11.729 1.00 0.00 H new ATOM 0 HA THR A 49 116.558 6.920 11.609 1.00 0.00 H new ATOM 0 HB THR A 49 118.080 4.954 11.062 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.218 6.750 11.704 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.287 6.012 9.177 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.635 6.658 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 49 119.019 7.614 9.904 1.00 0.00 H new ATOM 767 N LYS A 50 118.121 6.389 14.386 1.00 0.00 N ATOM 768 CA LYS A 50 118.001 5.690 15.708 1.00 0.00 C ATOM 769 C LYS A 50 116.590 5.843 16.286 1.00 0.00 C ATOM 770 O LYS A 50 116.140 5.014 17.058 1.00 0.00 O ATOM 771 CB LYS A 50 119.033 6.360 16.621 1.00 0.00 C ATOM 772 CG LYS A 50 119.152 5.572 17.928 1.00 0.00 C ATOM 773 CD LYS A 50 119.929 4.278 17.677 1.00 0.00 C ATOM 774 CE LYS A 50 120.098 3.519 18.994 1.00 0.00 C ATOM 775 NZ LYS A 50 121.026 2.398 18.676 1.00 0.00 N ATOM 0 H LYS A 50 118.858 7.093 14.337 1.00 0.00 H new ATOM 0 HA LYS A 50 118.179 4.619 15.610 1.00 0.00 H new ATOM 0 HB2 LYS A 50 120.001 6.404 16.122 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.736 7.388 16.830 1.00 0.00 H new ATOM 0 HG2 LYS A 50 119.660 6.173 18.682 1.00 0.00 H new ATOM 0 HG3 LYS A 50 118.160 5.343 18.318 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.399 3.658 16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.905 4.505 17.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 120.509 4.163 19.771 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.141 3.147 19.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 121.191 1.831 19.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 120.605 1.798 17.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 121.931 2.782 18.336 1.00 0.00 H new ATOM 789 N ASP A 51 115.890 6.891 15.924 1.00 0.00 N ATOM 790 CA ASP A 51 114.477 7.041 16.402 1.00 0.00 C ATOM 791 C ASP A 51 113.494 6.273 15.496 1.00 0.00 C ATOM 792 O ASP A 51 112.293 6.370 15.671 1.00 0.00 O ATOM 793 CB ASP A 51 114.180 8.552 16.394 1.00 0.00 C ATOM 794 CG ASP A 51 114.329 9.146 14.986 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.807 8.562 14.050 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.961 10.183 14.870 1.00 0.00 O ATOM 0 H ASP A 51 116.230 7.643 15.324 1.00 0.00 H new ATOM 0 HA ASP A 51 114.354 6.621 17.401 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.168 8.727 16.759 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.858 9.061 17.079 1.00 0.00 H new ATOM 801 N ILE A 52 113.985 5.515 14.535 1.00 0.00 N ATOM 802 CA ILE A 52 113.060 4.680 13.698 1.00 0.00 C ATOM 803 C ILE A 52 112.588 3.460 14.497 1.00 0.00 C ATOM 804 O ILE A 52 113.384 2.707 15.026 1.00 0.00 O ATOM 805 CB ILE A 52 113.881 4.245 12.469 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.281 5.481 11.654 1.00 0.00 C ATOM 807 CG2 ILE A 52 113.043 3.310 11.583 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.255 5.074 10.543 1.00 0.00 C ATOM 0 H ILE A 52 114.974 5.440 14.298 1.00 0.00 H new ATOM 0 HA ILE A 52 112.169 5.233 13.400 1.00 0.00 H new ATOM 0 HB ILE A 52 114.774 3.721 12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.395 5.946 11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.745 6.223 12.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.630 3.007 10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.757 2.427 12.154 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.146 3.832 11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.537 5.955 9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.146 4.629 10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.775 4.348 9.886 1.00 0.00 H new ATOM 820 N LYS A 53 111.295 3.269 14.583 1.00 0.00 N ATOM 821 CA LYS A 53 110.753 2.002 15.161 1.00 0.00 C ATOM 822 C LYS A 53 110.497 0.986 14.042 1.00 0.00 C ATOM 823 O LYS A 53 110.580 -0.208 14.255 1.00 0.00 O ATOM 824 CB LYS A 53 109.440 2.397 15.841 1.00 0.00 C ATOM 825 CG LYS A 53 108.892 1.207 16.633 1.00 0.00 C ATOM 826 CD LYS A 53 107.548 1.585 17.259 1.00 0.00 C ATOM 827 CE LYS A 53 107.077 0.456 18.179 1.00 0.00 C ATOM 828 NZ LYS A 53 105.638 0.745 18.435 1.00 0.00 N ATOM 0 H LYS A 53 110.590 3.939 14.276 1.00 0.00 H new ATOM 0 HA LYS A 53 111.445 1.539 15.864 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.604 3.245 16.506 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.713 2.715 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.770 0.345 15.977 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.599 0.918 17.411 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.646 2.512 17.824 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.809 1.764 16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.206 -0.518 17.707 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.648 0.439 19.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 105.243 0.013 19.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.546 1.675 18.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.119 0.748 17.534 1.00 0.00 H new ATOM 842 N ASP A 54 110.194 1.458 12.851 1.00 0.00 N ATOM 843 CA ASP A 54 109.884 0.528 11.715 1.00 0.00 C ATOM 844 C ASP A 54 109.967 1.278 10.380 1.00 0.00 C ATOM 845 O ASP A 54 109.793 2.482 10.324 1.00 0.00 O ATOM 846 CB ASP A 54 108.453 0.034 11.963 1.00 0.00 C ATOM 847 CG ASP A 54 108.474 -1.242 12.809 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.339 -2.072 12.576 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.626 -1.367 13.677 1.00 0.00 O ATOM 0 H ASP A 54 110.148 2.450 12.618 1.00 0.00 H new ATOM 0 HA ASP A 54 110.591 -0.300 11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.877 0.807 12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.957 -0.160 11.012 1.00 0.00 H new ATOM 854 N LEU A 55 110.232 0.568 9.307 1.00 0.00 N ATOM 855 CA LEU A 55 110.349 1.225 7.967 1.00 0.00 C ATOM 856 C LEU A 55 109.547 0.448 6.919 1.00 0.00 C ATOM 857 O LEU A 55 109.378 -0.753 7.022 1.00 0.00 O ATOM 858 CB LEU A 55 111.841 1.178 7.628 1.00 0.00 C ATOM 859 CG LEU A 55 112.625 2.067 8.595 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.121 1.788 8.446 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.351 3.537 8.273 1.00 0.00 C ATOM 0 H LEU A 55 110.373 -0.442 9.303 1.00 0.00 H new ATOM 0 HA LEU A 55 109.960 2.243 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.204 0.152 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.000 1.513 6.603 1.00 0.00 H new ATOM 0 HG LEU A 55 112.313 1.852 9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.680 2.421 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.320 0.741 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.431 2.003 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.910 4.171 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.663 3.750 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.285 3.740 8.377 1.00 0.00 H new ATOM 873 N ARG A 56 109.053 1.131 5.914 1.00 0.00 N ATOM 874 CA ARG A 56 108.357 0.435 4.789 1.00 0.00 C ATOM 875 C ARG A 56 108.483 1.264 3.506 1.00 0.00 C ATOM 876 O ARG A 56 108.420 2.478 3.542 1.00 0.00 O ATOM 877 CB ARG A 56 106.890 0.322 5.235 1.00 0.00 C ATOM 878 CG ARG A 56 106.224 1.711 5.258 1.00 0.00 C ATOM 879 CD ARG A 56 105.207 1.793 6.400 1.00 0.00 C ATOM 880 NE ARG A 56 104.177 0.747 6.093 1.00 0.00 N ATOM 881 CZ ARG A 56 103.266 0.928 5.155 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.225 2.027 4.436 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.387 -0.011 4.933 1.00 0.00 N ATOM 0 H ARG A 56 109.103 2.146 5.826 1.00 0.00 H new ATOM 0 HA ARG A 56 108.784 -0.545 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.347 -0.337 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.839 -0.129 6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.983 2.484 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.728 1.900 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.682 1.606 7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.756 2.784 6.454 1.00 0.00 H new ATOM 0 HE ARG A 56 104.180 -0.125 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.908 2.767 4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.510 2.140 3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.410 -0.871 5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.677 0.115 4.211 1.00 0.00 H new ATOM 897 N ILE A 57 108.660 0.623 2.380 1.00 0.00 N ATOM 898 CA ILE A 57 108.665 1.375 1.086 1.00 0.00 C ATOM 899 C ILE A 57 107.228 1.551 0.580 1.00 0.00 C ATOM 900 O ILE A 57 106.450 0.614 0.566 1.00 0.00 O ATOM 901 CB ILE A 57 109.484 0.527 0.101 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.890 0.272 0.666 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.610 1.288 -1.224 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.598 -0.794 -0.175 1.00 0.00 C ATOM 0 H ILE A 57 108.801 -0.384 2.298 1.00 0.00 H new ATOM 0 HA ILE A 57 109.096 2.370 1.199 1.00 0.00 H new ATOM 0 HB ILE A 57 108.982 -0.428 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.468 1.196 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.822 -0.055 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.190 0.694 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.617 1.472 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 57 110.113 2.239 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.595 -0.973 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 57 111.024 -1.720 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.680 -0.449 -1.206 1.00 0.00 H new ATOM 916 N LEU A 58 106.874 2.745 0.165 1.00 0.00 N ATOM 917 CA LEU A 58 105.480 2.994 -0.322 1.00 0.00 C ATOM 918 C LEU A 58 105.346 2.554 -1.788 1.00 0.00 C ATOM 919 O LEU A 58 106.342 2.378 -2.465 1.00 0.00 O ATOM 920 CB LEU A 58 105.264 4.502 -0.190 1.00 0.00 C ATOM 921 CG LEU A 58 105.156 4.875 1.287 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.310 6.389 1.443 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.788 4.445 1.822 1.00 0.00 C ATOM 0 H LEU A 58 107.491 3.557 0.143 1.00 0.00 H new ATOM 0 HA LEU A 58 104.741 2.432 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 58 106.092 5.040 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.357 4.798 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 58 105.942 4.370 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.233 6.656 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.283 6.697 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.524 6.894 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.710 4.711 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.002 4.951 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.676 3.366 1.710 1.00 0.00 H new ATOM 1736 N SER B 257 111.145 -4.256 3.220 1.00 0.00 N ATOM 1737 CA SER B 257 111.051 -3.196 4.281 1.00 0.00 C ATOM 1738 C SER B 257 111.763 -3.652 5.559 1.00 0.00 C ATOM 1739 O SER B 257 112.360 -2.862 6.267 1.00 0.00 O ATOM 1740 CB SER B 257 109.553 -3.030 4.549 1.00 0.00 C ATOM 1741 OG SER B 257 108.917 -2.543 3.375 1.00 0.00 O ATOM 0 HA SER B 257 111.521 -2.265 3.965 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.117 -3.984 4.844 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.394 -2.338 5.376 1.00 0.00 H new ATOM 0 HG SER B 257 109.314 -2.969 2.587 1.00 0.00 H new ATOM 1747 N SER B 258 111.696 -4.929 5.847 1.00 0.00 N ATOM 1748 CA SER B 258 112.378 -5.469 7.068 1.00 0.00 C ATOM 1749 C SER B 258 113.901 -5.391 6.905 1.00 0.00 C ATOM 1750 O SER B 258 114.625 -5.219 7.868 1.00 0.00 O ATOM 1751 CB SER B 258 111.926 -6.926 7.177 1.00 0.00 C ATOM 1752 OG SER B 258 110.506 -6.977 7.207 1.00 0.00 O ATOM 0 H SER B 258 111.198 -5.623 5.289 1.00 0.00 H new ATOM 0 HA SER B 258 112.123 -4.899 7.962 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.304 -7.500 6.331 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.337 -7.380 8.079 1.00 0.00 H new ATOM 0 HG SER B 258 110.214 -7.910 7.275 1.00 0.00 H new ATOM 1758 N GLN B 259 114.387 -5.515 5.691 1.00 0.00 N ATOM 1759 CA GLN B 259 115.868 -5.461 5.456 1.00 0.00 C ATOM 1760 C GLN B 259 116.426 -4.085 5.838 1.00 0.00 C ATOM 1761 O GLN B 259 117.516 -3.976 6.369 1.00 0.00 O ATOM 1762 CB GLN B 259 116.051 -5.713 3.955 1.00 0.00 C ATOM 1763 CG GLN B 259 117.536 -5.920 3.646 1.00 0.00 C ATOM 1764 CD GLN B 259 117.979 -7.290 4.167 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.495 -8.309 3.716 1.00 0.00 O ATOM 1766 NE2 GLN B 259 118.886 -7.356 5.102 1.00 0.00 N ATOM 0 H GLN B 259 113.822 -5.651 4.853 1.00 0.00 H new ATOM 0 HA GLN B 259 116.399 -6.196 6.061 1.00 0.00 H new ATOM 0 HB2 GLN B 259 115.480 -6.591 3.651 1.00 0.00 H new ATOM 0 HB3 GLN B 259 115.665 -4.868 3.384 1.00 0.00 H new ATOM 0 HG2 GLN B 259 117.708 -5.855 2.572 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.129 -5.133 4.112 1.00 0.00 H new ATOM 0 HE21 GLN B 259 119.292 -6.500 5.480 1.00 0.00 H new ATOM 0 HE22 GLN B 259 119.189 -8.264 5.455 1.00 0.00 H new ATOM 1775 N LEU B 260 115.685 -3.037 5.573 1.00 0.00 N ATOM 1776 CA LEU B 260 116.169 -1.662 5.921 1.00 0.00 C ATOM 1777 C LEU B 260 116.153 -1.464 7.439 1.00 0.00 C ATOM 1778 O LEU B 260 117.088 -0.932 8.009 1.00 0.00 O ATOM 1779 CB LEU B 260 115.191 -0.697 5.244 1.00 0.00 C ATOM 1780 CG LEU B 260 115.325 -0.812 3.724 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.158 -0.084 3.053 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.645 -0.175 3.279 1.00 0.00 C ATOM 0 H LEU B 260 114.766 -3.073 5.131 1.00 0.00 H new ATOM 0 HA LEU B 260 117.193 -1.495 5.587 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.170 -0.926 5.547 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.396 0.326 5.561 1.00 0.00 H new ATOM 0 HG LEU B 260 115.312 -1.863 3.437 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.253 -0.165 1.970 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.217 -0.535 3.370 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.171 0.967 3.340 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.741 -0.256 2.196 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.657 0.876 3.566 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.477 -0.691 3.757 1.00 0.00 H new ATOM 1794 N LEU B 261 115.099 -1.889 8.092 1.00 0.00 N ATOM 1795 CA LEU B 261 115.037 -1.767 9.584 1.00 0.00 C ATOM 1796 C LEU B 261 116.047 -2.722 10.226 1.00 0.00 C ATOM 1797 O LEU B 261 116.689 -2.390 11.206 1.00 0.00 O ATOM 1798 CB LEU B 261 113.605 -2.155 9.968 1.00 0.00 C ATOM 1799 CG LEU B 261 113.368 -1.850 11.450 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.307 -0.335 11.658 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.043 -2.476 11.892 1.00 0.00 C ATOM 0 H LEU B 261 114.280 -2.315 7.658 1.00 0.00 H new ATOM 0 HA LEU B 261 115.282 -0.761 9.926 1.00 0.00 H new ATOM 0 HB2 LEU B 261 112.892 -1.604 9.355 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.441 -3.215 9.774 1.00 0.00 H new ATOM 0 HG LEU B 261 114.185 -2.265 12.041 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.138 -0.119 12.713 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.249 0.114 11.342 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.491 0.081 11.068 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.872 -2.260 12.947 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.228 -2.059 11.300 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.083 -3.555 11.745 1.00 0.00 H new ATOM 1813 N SER B 262 116.188 -3.907 9.678 1.00 0.00 N ATOM 1814 CA SER B 262 117.196 -4.879 10.214 1.00 0.00 C ATOM 1815 C SER B 262 118.616 -4.322 10.063 1.00 0.00 C ATOM 1816 O SER B 262 119.471 -4.553 10.899 1.00 0.00 O ATOM 1817 CB SER B 262 117.029 -6.146 9.371 1.00 0.00 C ATOM 1818 OG SER B 262 117.461 -5.888 8.042 1.00 0.00 O ATOM 0 H SER B 262 115.647 -4.243 8.881 1.00 0.00 H new ATOM 0 HA SER B 262 117.043 -5.073 11.276 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.609 -6.962 9.802 1.00 0.00 H new ATOM 0 HB3 SER B 262 115.986 -6.462 9.371 1.00 0.00 H new ATOM 0 HG SER B 262 117.307 -4.945 7.825 1.00 0.00 H new ATOM 1824 N LEU B 263 118.871 -3.590 9.002 1.00 0.00 N ATOM 1825 CA LEU B 263 120.237 -3.002 8.798 1.00 0.00 C ATOM 1826 C LEU B 263 120.541 -1.970 9.888 1.00 0.00 C ATOM 1827 O LEU B 263 121.637 -1.917 10.414 1.00 0.00 O ATOM 1828 CB LEU B 263 120.192 -2.329 7.423 1.00 0.00 C ATOM 1829 CG LEU B 263 120.373 -3.385 6.330 1.00 0.00 C ATOM 1830 CD1 LEU B 263 119.906 -2.819 4.989 1.00 0.00 C ATOM 1831 CD2 LEU B 263 121.851 -3.770 6.234 1.00 0.00 C ATOM 0 H LEU B 263 118.194 -3.374 8.270 1.00 0.00 H new ATOM 0 HA LEU B 263 121.017 -3.762 8.851 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.241 -1.813 7.290 1.00 0.00 H new ATOM 0 HB3 LEU B 263 120.977 -1.576 7.349 1.00 0.00 H new ATOM 0 HG LEU B 263 119.782 -4.267 6.576 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.035 -3.572 4.211 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.853 -2.544 5.057 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.496 -1.937 4.741 1.00 0.00 H new ATOM 0 HD21 LEU B 263 121.981 -4.522 5.456 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.442 -2.887 5.988 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.184 -4.175 7.189 1.00 0.00 H new