USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 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= -0.303 X(o=-0.011,f=-0.13) USER MOD Set 1.2: A 43 SER OG : rot 71:sc= 0.292 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.928 K(o=0.29,f=-10!) USER MOD Set 2.2: A 19 SER OG : rot 104:sc= 1.22 USER MOD Single : A 2 SER OG : rot 30:sc= 0.155 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 9 SER OG : rot -115:sc= -1.05! USER MOD Single : A 10 ASN : amide:sc= -6.71! C(o=-6.7!,f=-9.9!) USER MOD Single : A 16 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.32) USER MOD Single : A 20 LYS NZ :NH3+ -112:sc= -0.107 (180deg=-0.438) USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.45 USER MOD Single : A 27 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 32 ASN : amide:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.111) USER MOD Single : A 46 SER OG : rot 11:sc= 0.861 USER MOD Single : A 49 THR OG1 : rot -78:sc= -0.288 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 -77:sc= -0.451 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.518 -1.847 -0.084 1.00 0.00 N ATOM 45 CA SER A 2 123.674 -0.728 0.893 1.00 0.00 C ATOM 46 C SER A 2 122.501 0.249 0.767 1.00 0.00 C ATOM 47 O SER A 2 121.734 0.187 -0.175 1.00 0.00 O ATOM 48 CB SER A 2 124.985 -0.044 0.504 1.00 0.00 C ATOM 49 OG SER A 2 126.058 -0.963 0.661 1.00 0.00 O ATOM 0 HA SER A 2 123.687 -1.078 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.936 0.302 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.149 0.835 1.128 1.00 0.00 H new ATOM 0 HG SER A 2 125.734 -1.874 0.504 1.00 0.00 H new ATOM 55 N VAL A 3 122.362 1.146 1.713 1.00 0.00 N ATOM 56 CA VAL A 3 121.234 2.136 1.664 1.00 0.00 C ATOM 57 C VAL A 3 121.413 3.088 0.470 1.00 0.00 C ATOM 58 O VAL A 3 120.449 3.608 -0.058 1.00 0.00 O ATOM 59 CB VAL A 3 121.299 2.905 2.993 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.184 3.958 3.047 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.118 1.931 4.162 1.00 0.00 C ATOM 0 H VAL A 3 122.980 1.237 2.519 1.00 0.00 H new ATOM 0 HA VAL A 3 120.268 1.647 1.536 1.00 0.00 H new ATOM 0 HB VAL A 3 122.269 3.397 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.239 4.498 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.306 4.659 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.215 3.466 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.165 2.479 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.150 1.437 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.910 1.183 4.138 1.00 0.00 H new ATOM 71 N ALA A 4 122.638 3.321 0.046 1.00 0.00 N ATOM 72 CA ALA A 4 122.884 4.266 -1.099 1.00 0.00 C ATOM 73 C ALA A 4 122.071 3.841 -2.329 1.00 0.00 C ATOM 74 O ALA A 4 121.663 4.663 -3.128 1.00 0.00 O ATOM 75 CB ALA A 4 124.383 4.163 -1.393 1.00 0.00 C ATOM 0 H ALA A 4 123.477 2.898 0.443 1.00 0.00 H new ATOM 0 HA ALA A 4 122.584 5.285 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.638 4.826 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.948 4.453 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.631 3.136 -1.662 1.00 0.00 H new ATOM 81 N ASP A 5 121.841 2.560 -2.476 1.00 0.00 N ATOM 82 CA ASP A 5 120.958 2.069 -3.584 1.00 0.00 C ATOM 83 C ASP A 5 119.503 2.488 -3.329 1.00 0.00 C ATOM 84 O ASP A 5 118.745 2.711 -4.255 1.00 0.00 O ATOM 85 CB ASP A 5 121.086 0.543 -3.566 1.00 0.00 C ATOM 86 CG ASP A 5 122.512 0.142 -3.950 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.335 0.029 -3.057 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.756 -0.044 -5.131 1.00 0.00 O ATOM 0 H ASP A 5 122.226 1.830 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 5 121.248 2.486 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.844 0.160 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.373 0.100 -4.262 1.00 0.00 H new ATOM 93 N PHE A 6 119.115 2.594 -2.080 1.00 0.00 N ATOM 94 CA PHE A 6 117.702 2.963 -1.749 1.00 0.00 C ATOM 95 C PHE A 6 117.561 4.474 -1.488 1.00 0.00 C ATOM 96 O PHE A 6 116.527 4.925 -1.027 1.00 0.00 O ATOM 97 CB PHE A 6 117.373 2.172 -0.483 1.00 0.00 C ATOM 98 CG PHE A 6 117.347 0.677 -0.696 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.529 -0.084 -0.524 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.141 0.036 -1.070 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.505 -1.486 -0.724 1.00 0.00 C ATOM 102 CE2 PHE A 6 116.116 -1.366 -1.271 1.00 0.00 C ATOM 103 CZ PHE A 6 117.298 -2.127 -1.098 1.00 0.00 C ATOM 0 H PHE A 6 119.719 2.440 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 6 117.027 2.732 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.109 2.409 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.403 2.494 -0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.449 0.405 -0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.240 0.616 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.406 -2.066 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 6 115.196 -1.854 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 6 117.279 -3.196 -1.251 1.00 0.00 H new ATOM 113 N TYR A 7 118.579 5.259 -1.773 1.00 0.00 N ATOM 114 CA TYR A 7 118.443 6.748 -1.640 1.00 0.00 C ATOM 115 C TYR A 7 117.455 7.283 -2.685 1.00 0.00 C ATOM 116 O TYR A 7 117.422 6.823 -3.813 1.00 0.00 O ATOM 117 CB TYR A 7 119.850 7.306 -1.918 1.00 0.00 C ATOM 118 CG TYR A 7 120.754 7.416 -0.698 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.460 6.710 0.499 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.913 8.230 -0.764 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.323 6.818 1.616 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.772 8.338 0.354 1.00 0.00 C ATOM 123 CZ TYR A 7 122.480 7.634 1.542 1.00 0.00 C ATOM 124 OH TYR A 7 123.325 7.739 2.627 1.00 0.00 O ATOM 0 H TYR A 7 119.492 4.934 -2.090 1.00 0.00 H new ATOM 0 HA TYR A 7 118.070 7.038 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.337 6.669 -2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.750 8.294 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.577 6.090 0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.141 8.770 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.100 6.279 2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.653 8.960 0.299 1.00 0.00 H new ATOM 0 HH TYR A 7 124.069 8.338 2.406 1.00 0.00 H new ATOM 134 N GLY A 8 116.654 8.252 -2.313 1.00 0.00 N ATOM 135 CA GLY A 8 115.615 8.788 -3.249 1.00 0.00 C ATOM 136 C GLY A 8 114.353 7.907 -3.225 1.00 0.00 C ATOM 137 O GLY A 8 113.386 8.199 -3.904 1.00 0.00 O ATOM 0 H GLY A 8 116.675 8.698 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.357 9.809 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.017 8.828 -4.261 1.00 0.00 H new ATOM 141 N SER A 9 114.347 6.838 -2.456 1.00 0.00 N ATOM 142 CA SER A 9 113.143 5.947 -2.413 1.00 0.00 C ATOM 143 C SER A 9 112.042 6.574 -1.553 1.00 0.00 C ATOM 144 O SER A 9 112.311 7.169 -0.526 1.00 0.00 O ATOM 145 CB SER A 9 113.633 4.642 -1.782 1.00 0.00 C ATOM 146 OG SER A 9 113.974 4.877 -0.422 1.00 0.00 O ATOM 0 H SER A 9 115.122 6.547 -1.860 1.00 0.00 H new ATOM 0 HA SER A 9 112.719 5.788 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 9 112.857 3.879 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.499 4.264 -2.326 1.00 0.00 H new ATOM 0 HG SER A 9 114.936 4.739 -0.297 1.00 0.00 H new ATOM 152 N ASN A 10 110.807 6.444 -1.969 1.00 0.00 N ATOM 153 CA ASN A 10 109.665 6.917 -1.123 1.00 0.00 C ATOM 154 C ASN A 10 109.278 5.826 -0.126 1.00 0.00 C ATOM 155 O ASN A 10 108.883 4.738 -0.507 1.00 0.00 O ATOM 156 CB ASN A 10 108.513 7.175 -2.100 1.00 0.00 C ATOM 157 CG ASN A 10 108.875 8.325 -3.043 1.00 0.00 C ATOM 158 OD1 ASN A 10 109.969 8.374 -3.570 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.995 9.258 -3.282 1.00 0.00 N ATOM 0 H ASN A 10 110.538 6.029 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 10 109.917 7.811 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.305 6.273 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.605 7.418 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.225 10.027 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.076 9.218 -2.840 1.00 0.00 H new ATOM 166 N VAL A 11 109.388 6.111 1.145 1.00 0.00 N ATOM 167 CA VAL A 11 109.055 5.086 2.181 1.00 0.00 C ATOM 168 C VAL A 11 108.384 5.760 3.378 1.00 0.00 C ATOM 169 O VAL A 11 108.494 6.960 3.560 1.00 0.00 O ATOM 170 CB VAL A 11 110.396 4.446 2.587 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.024 3.750 1.376 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.364 5.519 3.109 1.00 0.00 C ATOM 0 H VAL A 11 109.695 7.012 1.512 1.00 0.00 H new ATOM 0 HA VAL A 11 108.362 4.333 1.807 1.00 0.00 H new ATOM 0 HB VAL A 11 110.209 3.718 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.972 3.299 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.350 2.975 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.197 4.481 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.307 5.052 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.545 6.257 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.928 6.011 3.978 1.00 0.00 H new ATOM 182 N GLU A 12 107.691 5.003 4.193 1.00 0.00 N ATOM 183 CA GLU A 12 107.049 5.601 5.401 1.00 0.00 C ATOM 184 C GLU A 12 107.770 5.132 6.669 1.00 0.00 C ATOM 185 O GLU A 12 107.924 3.949 6.904 1.00 0.00 O ATOM 186 CB GLU A 12 105.612 5.078 5.377 1.00 0.00 C ATOM 187 CG GLU A 12 104.789 5.771 6.467 1.00 0.00 C ATOM 188 CD GLU A 12 103.338 5.294 6.397 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.133 4.100 6.245 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.454 6.129 6.496 1.00 0.00 O ATOM 0 H GLU A 12 107.543 4.001 4.073 1.00 0.00 H new ATOM 0 HA GLU A 12 107.090 6.690 5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.165 5.261 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.605 3.999 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.208 5.550 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.833 6.852 6.338 1.00 0.00 H new ATOM 197 N VAL A 13 108.213 6.056 7.484 1.00 0.00 N ATOM 198 CA VAL A 13 108.973 5.676 8.715 1.00 0.00 C ATOM 199 C VAL A 13 108.097 5.887 9.957 1.00 0.00 C ATOM 200 O VAL A 13 107.608 6.974 10.202 1.00 0.00 O ATOM 201 CB VAL A 13 110.186 6.622 8.742 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.064 6.310 9.959 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.016 6.440 7.463 1.00 0.00 C ATOM 0 H VAL A 13 108.081 7.059 7.350 1.00 0.00 H new ATOM 0 HA VAL A 13 109.275 4.629 8.711 1.00 0.00 H new ATOM 0 HB VAL A 13 109.829 7.650 8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.921 6.984 9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.483 6.445 10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.414 5.279 9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.874 7.112 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.364 5.409 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.400 6.669 6.594 1.00 0.00 H new ATOM 213 N LEU A 14 107.900 4.851 10.736 1.00 0.00 N ATOM 214 CA LEU A 14 107.148 5.003 12.018 1.00 0.00 C ATOM 215 C LEU A 14 108.134 5.186 13.174 1.00 0.00 C ATOM 216 O LEU A 14 109.061 4.413 13.334 1.00 0.00 O ATOM 217 CB LEU A 14 106.362 3.699 12.175 1.00 0.00 C ATOM 218 CG LEU A 14 105.387 3.820 13.350 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.273 4.809 12.998 1.00 0.00 C ATOM 220 CD2 LEU A 14 104.771 2.450 13.640 1.00 0.00 C ATOM 0 H LEU A 14 108.229 3.906 10.538 1.00 0.00 H new ATOM 0 HA LEU A 14 106.488 5.871 12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.815 3.480 11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.047 2.868 12.343 1.00 0.00 H new ATOM 0 HG LEU A 14 105.924 4.177 14.229 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.582 4.892 13.837 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.707 5.786 12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.736 4.454 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.076 2.533 14.476 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.237 2.097 12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 105.560 1.742 13.893 1.00 0.00 H new ATOM 232 N LEU A 15 107.940 6.202 13.979 1.00 0.00 N ATOM 233 CA LEU A 15 108.963 6.549 15.016 1.00 0.00 C ATOM 234 C LEU A 15 108.564 5.993 16.388 1.00 0.00 C ATOM 235 O LEU A 15 107.443 5.567 16.597 1.00 0.00 O ATOM 236 CB LEU A 15 108.996 8.079 15.048 1.00 0.00 C ATOM 237 CG LEU A 15 109.513 8.616 13.710 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.285 10.126 13.643 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.011 8.324 13.588 1.00 0.00 C ATOM 0 H LEU A 15 107.118 6.806 13.963 1.00 0.00 H new ATOM 0 HA LEU A 15 109.937 6.121 14.780 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.998 8.469 15.245 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.638 8.421 15.860 1.00 0.00 H new ATOM 0 HG LEU A 15 108.978 8.130 12.894 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.653 10.508 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.219 10.337 13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.820 10.611 14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.380 8.706 12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.544 8.810 14.405 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.177 7.248 13.636 1.00 0.00 H new ATOM 251 N ASN A 16 109.488 5.999 17.324 1.00 0.00 N ATOM 252 CA ASN A 16 109.200 5.475 18.705 1.00 0.00 C ATOM 253 C ASN A 16 108.021 6.220 19.353 1.00 0.00 C ATOM 254 O ASN A 16 107.384 5.714 20.260 1.00 0.00 O ATOM 255 CB ASN A 16 110.491 5.711 19.510 1.00 0.00 C ATOM 256 CG ASN A 16 110.850 7.203 19.526 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.357 7.950 20.348 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.693 7.668 18.645 1.00 0.00 N ATOM 0 H ASN A 16 110.437 6.347 17.190 1.00 0.00 H new ATOM 0 HA ASN A 16 108.919 4.422 18.677 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.361 5.351 20.531 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.309 5.139 19.072 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.938 8.658 18.647 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.107 7.041 17.955 1.00 0.00 H new ATOM 265 N ASN A 17 107.732 7.415 18.893 1.00 0.00 N ATOM 266 CA ASN A 17 106.628 8.222 19.510 1.00 0.00 C ATOM 267 C ASN A 17 105.281 7.941 18.819 1.00 0.00 C ATOM 268 O ASN A 17 104.367 8.741 18.888 1.00 0.00 O ATOM 269 CB ASN A 17 107.044 9.693 19.332 1.00 0.00 C ATOM 270 CG ASN A 17 107.193 10.043 17.844 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.263 9.896 17.077 1.00 0.00 O ATOM 272 ND2 ASN A 17 108.333 10.501 17.405 1.00 0.00 N ATOM 0 H ASN A 17 108.213 7.868 18.116 1.00 0.00 H new ATOM 0 HA ASN A 17 106.487 7.969 20.561 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.299 10.344 19.790 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.987 9.874 19.849 1.00 0.00 H new ATOM 0 HD21 ASN A 17 108.443 10.735 16.418 1.00 0.00 H new ATOM 0 HD22 ASN A 17 109.115 10.625 18.048 1.00 0.00 H new ATOM 279 N ASP A 18 105.155 6.810 18.148 1.00 0.00 N ATOM 280 CA ASP A 18 103.830 6.375 17.579 1.00 0.00 C ATOM 281 C ASP A 18 103.299 7.412 16.578 1.00 0.00 C ATOM 282 O ASP A 18 102.102 7.551 16.404 1.00 0.00 O ATOM 283 CB ASP A 18 102.871 6.240 18.773 1.00 0.00 C ATOM 284 CG ASP A 18 103.371 5.140 19.715 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.804 4.112 19.220 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.312 5.345 20.916 1.00 0.00 O ATOM 0 H ASP A 18 105.924 6.164 17.970 1.00 0.00 H new ATOM 0 HA ASP A 18 103.927 5.433 17.039 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.805 7.188 19.308 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.867 6.002 18.421 1.00 0.00 H new ATOM 291 N SER A 19 104.178 8.138 15.921 1.00 0.00 N ATOM 292 CA SER A 19 103.736 9.009 14.790 1.00 0.00 C ATOM 293 C SER A 19 104.283 8.455 13.472 1.00 0.00 C ATOM 294 O SER A 19 105.446 8.107 13.374 1.00 0.00 O ATOM 295 CB SER A 19 104.336 10.384 15.084 1.00 0.00 C ATOM 296 OG SER A 19 103.973 10.783 16.399 1.00 0.00 O ATOM 0 H SER A 19 105.178 8.162 16.121 1.00 0.00 H new ATOM 0 HA SER A 19 102.651 9.056 14.699 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.421 10.348 14.989 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.977 11.113 14.358 1.00 0.00 H new ATOM 0 HG SER A 19 104.742 10.675 16.997 1.00 0.00 H new ATOM 302 N LYS A 20 103.454 8.373 12.462 1.00 0.00 N ATOM 303 CA LYS A 20 103.899 7.783 11.164 1.00 0.00 C ATOM 304 C LYS A 20 104.008 8.869 10.090 1.00 0.00 C ATOM 305 O LYS A 20 103.204 9.780 10.035 1.00 0.00 O ATOM 306 CB LYS A 20 102.805 6.778 10.801 1.00 0.00 C ATOM 307 CG LYS A 20 103.337 5.798 9.754 1.00 0.00 C ATOM 308 CD LYS A 20 102.535 4.495 9.815 1.00 0.00 C ATOM 309 CE LYS A 20 101.202 4.664 9.073 1.00 0.00 C ATOM 310 NZ LYS A 20 100.202 4.991 10.129 1.00 0.00 N ATOM 0 H LYS A 20 102.485 8.691 12.481 1.00 0.00 H new ATOM 0 HA LYS A 20 104.882 7.317 11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.484 6.237 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.931 7.301 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.262 6.237 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.393 5.596 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.109 3.684 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.350 4.220 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.264 5.459 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.929 3.752 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.533 4.202 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.691 5.148 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.684 5.852 9.862 1.00 0.00 H new ATOM 324 N ALA A 21 105.002 8.773 9.240 1.00 0.00 N ATOM 325 CA ALA A 21 105.173 9.788 8.155 1.00 0.00 C ATOM 326 C ALA A 21 105.900 9.164 6.961 1.00 0.00 C ATOM 327 O ALA A 21 106.558 8.148 7.092 1.00 0.00 O ATOM 328 CB ALA A 21 106.015 10.901 8.778 1.00 0.00 C ATOM 0 H ALA A 21 105.704 8.033 9.252 1.00 0.00 H new ATOM 0 HA ALA A 21 104.219 10.163 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.184 11.686 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.489 11.317 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 21 106.973 10.495 9.101 1.00 0.00 H new ATOM 334 N ARG A 22 105.786 9.765 5.800 1.00 0.00 N ATOM 335 CA ARG A 22 106.449 9.196 4.584 1.00 0.00 C ATOM 336 C ARG A 22 107.043 10.308 3.719 1.00 0.00 C ATOM 337 O ARG A 22 106.531 11.410 3.672 1.00 0.00 O ATOM 338 CB ARG A 22 105.344 8.441 3.830 1.00 0.00 C ATOM 339 CG ARG A 22 104.208 9.398 3.440 1.00 0.00 C ATOM 340 CD ARG A 22 103.014 8.593 2.919 1.00 0.00 C ATOM 341 NE ARG A 22 102.001 9.614 2.496 1.00 0.00 N ATOM 342 CZ ARG A 22 100.997 9.299 1.699 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.834 8.077 1.245 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.143 10.224 1.357 1.00 0.00 N ATOM 0 H ARG A 22 105.262 10.626 5.642 1.00 0.00 H new ATOM 0 HA ARG A 22 107.277 8.537 4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.759 7.976 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 22 104.953 7.638 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 22 103.909 9.994 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.552 10.094 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.304 7.957 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.613 7.939 3.693 1.00 0.00 H new ATOM 0 HE ARG A 22 102.090 10.573 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.493 7.343 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.049 7.862 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.256 11.176 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.362 9.995 0.742 1.00 0.00 H new ATOM 358 N GLY A 23 108.124 10.015 3.038 1.00 0.00 N ATOM 359 CA GLY A 23 108.822 11.061 2.229 1.00 0.00 C ATOM 360 C GLY A 23 109.911 10.388 1.392 1.00 0.00 C ATOM 361 O GLY A 23 110.195 9.217 1.568 1.00 0.00 O ATOM 0 H GLY A 23 108.555 9.091 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.111 11.575 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.260 11.815 2.883 1.00 0.00 H new ATOM 365 N VAL A 24 110.523 11.112 0.486 1.00 0.00 N ATOM 366 CA VAL A 24 111.532 10.481 -0.423 1.00 0.00 C ATOM 367 C VAL A 24 112.932 10.673 0.164 1.00 0.00 C ATOM 368 O VAL A 24 113.391 11.784 0.336 1.00 0.00 O ATOM 369 CB VAL A 24 111.408 11.227 -1.764 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.316 10.562 -2.807 1.00 0.00 C ATOM 371 CG2 VAL A 24 109.949 11.194 -2.260 1.00 0.00 C ATOM 0 H VAL A 24 110.368 12.109 0.337 1.00 0.00 H new ATOM 0 HA VAL A 24 111.365 9.411 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 24 111.711 12.264 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.228 11.091 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.350 10.599 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.016 9.523 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.875 11.725 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.635 10.159 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.304 11.674 -1.524 1.00 0.00 H new ATOM 381 N ILE A 25 113.611 9.594 0.466 1.00 0.00 N ATOM 382 CA ILE A 25 114.913 9.700 1.207 1.00 0.00 C ATOM 383 C ILE A 25 115.950 10.451 0.359 1.00 0.00 C ATOM 384 O ILE A 25 115.995 10.313 -0.847 1.00 0.00 O ATOM 385 CB ILE A 25 115.353 8.247 1.467 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.331 7.564 2.384 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.732 8.219 2.140 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.576 6.050 2.412 1.00 0.00 C ATOM 0 H ILE A 25 113.323 8.644 0.233 1.00 0.00 H new ATOM 0 HA ILE A 25 114.813 10.258 2.138 1.00 0.00 H new ATOM 0 HB ILE A 25 115.412 7.720 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.407 7.971 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.320 7.770 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.029 7.185 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.463 8.701 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.684 8.751 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.845 5.575 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.477 5.647 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.580 5.851 2.786 1.00 0.00 H new ATOM 400 N THR A 26 116.777 11.246 0.993 1.00 0.00 N ATOM 401 CA THR A 26 117.815 12.016 0.244 1.00 0.00 C ATOM 402 C THR A 26 119.225 11.675 0.736 1.00 0.00 C ATOM 403 O THR A 26 120.178 11.787 -0.015 1.00 0.00 O ATOM 404 CB THR A 26 117.500 13.492 0.502 1.00 0.00 C ATOM 405 OG1 THR A 26 117.183 13.683 1.872 1.00 0.00 O ATOM 406 CG2 THR A 26 116.313 13.917 -0.364 1.00 0.00 C ATOM 0 H THR A 26 116.776 11.394 2.002 1.00 0.00 H new ATOM 0 HA THR A 26 117.794 11.774 -0.819 1.00 0.00 H new ATOM 0 HB THR A 26 118.371 14.097 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.555 14.430 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.087 14.968 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.561 13.777 -1.416 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.443 13.310 -0.112 1.00 0.00 H new ATOM 414 N ASN A 27 119.384 11.259 1.980 1.00 0.00 N ATOM 415 CA ASN A 27 120.765 10.944 2.470 1.00 0.00 C ATOM 416 C ASN A 27 120.737 10.079 3.735 1.00 0.00 C ATOM 417 O ASN A 27 119.745 10.001 4.430 1.00 0.00 O ATOM 418 CB ASN A 27 121.404 12.303 2.768 1.00 0.00 C ATOM 419 CG ASN A 27 122.918 12.223 2.549 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.379 11.543 1.654 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.714 12.894 3.335 1.00 0.00 N ATOM 0 H ASN A 27 118.634 11.128 2.658 1.00 0.00 H new ATOM 0 HA ASN A 27 121.324 10.373 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.974 13.067 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.191 12.598 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.724 12.848 3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.327 13.465 4.086 1.00 0.00 H new ATOM 428 N PHE A 28 121.841 9.429 4.019 1.00 0.00 N ATOM 429 CA PHE A 28 122.018 8.719 5.325 1.00 0.00 C ATOM 430 C PHE A 28 123.505 8.717 5.693 1.00 0.00 C ATOM 431 O PHE A 28 124.344 8.303 4.914 1.00 0.00 O ATOM 432 CB PHE A 28 121.508 7.291 5.094 1.00 0.00 C ATOM 433 CG PHE A 28 121.709 6.371 6.280 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.895 6.505 7.431 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.720 5.378 6.241 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.090 5.645 8.540 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.913 4.519 7.349 1.00 0.00 C ATOM 438 CZ PHE A 28 122.098 4.652 8.499 1.00 0.00 C ATOM 0 H PHE A 28 122.640 9.360 3.389 1.00 0.00 H new ATOM 0 HA PHE A 28 121.476 9.197 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.446 7.329 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.018 6.869 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.126 7.262 7.463 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.343 5.277 5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.469 5.747 9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.682 3.762 7.317 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.245 3.996 9.344 1.00 0.00 H new ATOM 448 N ASP A 29 123.830 9.175 6.876 1.00 0.00 N ATOM 449 CA ASP A 29 125.261 9.259 7.286 1.00 0.00 C ATOM 450 C ASP A 29 125.594 8.063 8.167 1.00 0.00 C ATOM 451 O ASP A 29 124.878 7.774 9.100 1.00 0.00 O ATOM 452 CB ASP A 29 125.371 10.563 8.079 1.00 0.00 C ATOM 453 CG ASP A 29 126.842 10.856 8.381 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.501 11.421 7.525 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.284 10.511 9.465 1.00 0.00 O ATOM 0 H ASP A 29 123.161 9.495 7.577 1.00 0.00 H new ATOM 0 HA ASP A 29 125.949 9.248 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.935 11.384 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.807 10.484 9.008 1.00 0.00 H new ATOM 460 N SER A 30 126.664 7.368 7.880 1.00 0.00 N ATOM 461 CA SER A 30 126.996 6.142 8.674 1.00 0.00 C ATOM 462 C SER A 30 127.439 6.526 10.088 1.00 0.00 C ATOM 463 O SER A 30 126.922 6.017 11.066 1.00 0.00 O ATOM 464 CB SER A 30 128.139 5.462 7.920 1.00 0.00 C ATOM 465 OG SER A 30 127.751 5.250 6.570 1.00 0.00 O ATOM 0 H SER A 30 127.322 7.593 7.133 1.00 0.00 H new ATOM 0 HA SER A 30 126.135 5.482 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.035 6.081 7.960 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.387 4.512 8.393 1.00 0.00 H new ATOM 0 HG SER A 30 128.483 4.816 6.084 1.00 0.00 H new ATOM 471 N SER A 31 128.387 7.425 10.201 1.00 0.00 N ATOM 472 CA SER A 31 128.953 7.771 11.549 1.00 0.00 C ATOM 473 C SER A 31 127.859 8.313 12.477 1.00 0.00 C ATOM 474 O SER A 31 127.812 7.984 13.648 1.00 0.00 O ATOM 475 CB SER A 31 130.006 8.848 11.284 1.00 0.00 C ATOM 476 OG SER A 31 130.941 8.365 10.328 1.00 0.00 O ATOM 0 H SER A 31 128.796 7.936 9.419 1.00 0.00 H new ATOM 0 HA SER A 31 129.378 6.896 12.041 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.529 9.757 10.917 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.517 9.109 12.211 1.00 0.00 H new ATOM 0 HG SER A 31 131.617 9.053 10.154 1.00 0.00 H new ATOM 482 N ASN A 32 126.984 9.141 11.960 1.00 0.00 N ATOM 483 CA ASN A 32 125.921 9.749 12.820 1.00 0.00 C ATOM 484 C ASN A 32 124.554 9.082 12.588 1.00 0.00 C ATOM 485 O ASN A 32 123.621 9.320 13.330 1.00 0.00 O ATOM 486 CB ASN A 32 125.869 11.219 12.398 1.00 0.00 C ATOM 487 CG ASN A 32 127.185 11.911 12.762 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.800 12.548 11.930 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.648 11.811 13.979 1.00 0.00 N ATOM 0 H ASN A 32 126.960 9.422 10.980 1.00 0.00 H new ATOM 0 HA ASN A 32 126.145 9.621 13.879 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.694 11.293 11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 32 125.036 11.719 12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.525 12.267 14.230 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.133 11.277 14.678 1.00 0.00 H new ATOM 496 N SER A 33 124.422 8.248 11.571 1.00 0.00 N ATOM 497 CA SER A 33 123.084 7.636 11.235 1.00 0.00 C ATOM 498 C SER A 33 121.989 8.712 11.153 1.00 0.00 C ATOM 499 O SER A 33 121.084 8.758 11.969 1.00 0.00 O ATOM 500 CB SER A 33 122.800 6.638 12.362 1.00 0.00 C ATOM 501 OG SER A 33 123.330 5.367 12.008 1.00 0.00 O ATOM 0 H SER A 33 125.186 7.965 10.958 1.00 0.00 H new ATOM 0 HA SER A 33 123.096 7.147 10.261 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.248 6.985 13.293 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.726 6.562 12.534 1.00 0.00 H new ATOM 0 HG SER A 33 123.152 4.726 12.728 1.00 0.00 H new ATOM 507 N ILE A 34 122.072 9.576 10.169 1.00 0.00 N ATOM 508 CA ILE A 34 121.090 10.709 10.074 1.00 0.00 C ATOM 509 C ILE A 34 120.446 10.711 8.686 1.00 0.00 C ATOM 510 O ILE A 34 121.129 10.716 7.681 1.00 0.00 O ATOM 511 CB ILE A 34 121.907 11.996 10.299 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.669 11.929 11.640 1.00 0.00 C ATOM 513 CG2 ILE A 34 120.970 13.211 10.303 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.702 11.779 12.830 1.00 0.00 C ATOM 0 H ILE A 34 122.774 9.548 9.429 1.00 0.00 H new ATOM 0 HA ILE A 34 120.288 10.622 10.807 1.00 0.00 H new ATOM 0 HB ILE A 34 122.630 12.093 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.362 11.088 11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.266 12.832 11.766 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.552 14.119 10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.453 13.275 9.346 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.238 13.104 11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.272 11.735 13.758 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.026 12.633 12.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.123 10.862 12.715 1.00 0.00 H new ATOM 526 N LEU A 35 119.136 10.714 8.629 1.00 0.00 N ATOM 527 CA LEU A 35 118.434 10.502 7.327 1.00 0.00 C ATOM 528 C LEU A 35 117.644 11.748 6.936 1.00 0.00 C ATOM 529 O LEU A 35 116.778 12.198 7.664 1.00 0.00 O ATOM 530 CB LEU A 35 117.487 9.330 7.583 1.00 0.00 C ATOM 531 CG LEU A 35 116.884 8.858 6.259 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.869 7.925 5.555 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.578 8.110 6.533 1.00 0.00 C ATOM 0 H LEU A 35 118.522 10.855 9.431 1.00 0.00 H new ATOM 0 HA LEU A 35 119.129 10.303 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.026 8.512 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.695 9.633 8.268 1.00 0.00 H new ATOM 0 HG LEU A 35 116.682 9.720 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.440 7.588 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.800 8.458 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.071 7.063 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.147 7.773 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.779 7.248 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.876 8.776 7.035 1.00 0.00 H new ATOM 545 N GLN A 36 117.940 12.305 5.790 1.00 0.00 N ATOM 546 CA GLN A 36 117.126 13.441 5.270 1.00 0.00 C ATOM 547 C GLN A 36 116.004 12.902 4.383 1.00 0.00 C ATOM 548 O GLN A 36 116.229 12.047 3.548 1.00 0.00 O ATOM 549 CB GLN A 36 118.101 14.283 4.445 1.00 0.00 C ATOM 550 CG GLN A 36 119.127 14.935 5.374 1.00 0.00 C ATOM 551 CD GLN A 36 120.086 15.800 4.553 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.683 16.439 3.601 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.348 15.847 4.883 1.00 0.00 N ATOM 0 H GLN A 36 118.714 12.020 5.190 1.00 0.00 H new ATOM 0 HA GLN A 36 116.662 14.023 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.607 13.657 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.558 15.049 3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.620 15.545 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.684 14.168 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.687 15.311 5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.996 16.420 4.342 1.00 0.00 H new ATOM 562 N LEU A 37 114.800 13.392 4.564 1.00 0.00 N ATOM 563 CA LEU A 37 113.678 13.006 3.657 1.00 0.00 C ATOM 564 C LEU A 37 113.150 14.241 2.923 1.00 0.00 C ATOM 565 O LEU A 37 112.759 15.216 3.539 1.00 0.00 O ATOM 566 CB LEU A 37 112.592 12.441 4.581 1.00 0.00 C ATOM 567 CG LEU A 37 112.835 10.949 4.824 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.000 10.485 6.021 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.419 10.156 3.583 1.00 0.00 C ATOM 0 H LEU A 37 114.548 14.046 5.305 1.00 0.00 H new ATOM 0 HA LEU A 37 113.990 12.285 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.595 12.978 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.609 12.590 4.134 1.00 0.00 H new ATOM 0 HG LEU A 37 113.893 10.783 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.172 9.423 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.290 11.049 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 37 110.943 10.652 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.592 9.094 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.361 10.324 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.008 10.485 2.727 1.00 0.00 H new ATOM 581 N ARG A 38 113.137 14.205 1.613 1.00 0.00 N ATOM 582 CA ARG A 38 112.552 15.339 0.831 1.00 0.00 C ATOM 583 C ARG A 38 111.121 14.994 0.411 1.00 0.00 C ATOM 584 O ARG A 38 110.905 14.171 -0.459 1.00 0.00 O ATOM 585 CB ARG A 38 113.455 15.484 -0.396 1.00 0.00 C ATOM 586 CG ARG A 38 113.031 16.710 -1.209 1.00 0.00 C ATOM 587 CD ARG A 38 113.907 16.820 -2.461 1.00 0.00 C ATOM 588 NE ARG A 38 113.523 18.122 -3.091 1.00 0.00 N ATOM 589 CZ ARG A 38 113.938 19.276 -2.604 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.696 19.339 -1.531 1.00 0.00 N ATOM 591 NH2 ARG A 38 113.584 20.383 -3.198 1.00 0.00 N ATOM 0 H ARG A 38 113.507 13.438 1.051 1.00 0.00 H new ATOM 0 HA ARG A 38 112.504 16.263 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.495 15.585 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.393 14.588 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.982 16.627 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.127 17.612 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.966 16.803 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.731 15.986 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 38 112.925 18.117 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.977 18.482 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 38 115.003 20.245 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.993 20.350 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 38 113.898 21.281 -2.831 1.00 0.00 H new ATOM 605 N LEU A 39 110.148 15.620 1.022 1.00 0.00 N ATOM 606 CA LEU A 39 108.726 15.239 0.762 1.00 0.00 C ATOM 607 C LEU A 39 108.182 15.960 -0.476 1.00 0.00 C ATOM 608 O LEU A 39 108.600 17.058 -0.806 1.00 0.00 O ATOM 609 CB LEU A 39 107.968 15.664 2.028 1.00 0.00 C ATOM 610 CG LEU A 39 106.548 15.072 2.047 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.590 13.550 1.873 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.906 15.381 3.397 1.00 0.00 C ATOM 0 H LEU A 39 110.277 16.380 1.691 1.00 0.00 H new ATOM 0 HA LEU A 39 108.617 14.174 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.515 15.334 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.913 16.752 2.075 1.00 0.00 H new ATOM 0 HG LEU A 39 105.976 15.510 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.575 13.154 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.059 13.306 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.166 13.107 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.898 14.967 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.502 14.937 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.858 16.461 3.539 1.00 0.00 H new ATOM 624 N ALA A 40 107.244 15.339 -1.158 1.00 0.00 N ATOM 625 CA ALA A 40 106.748 15.883 -2.468 1.00 0.00 C ATOM 626 C ALA A 40 106.076 17.256 -2.303 1.00 0.00 C ATOM 627 O ALA A 40 105.769 17.913 -3.280 1.00 0.00 O ATOM 628 CB ALA A 40 105.729 14.856 -2.971 1.00 0.00 C ATOM 0 H ALA A 40 106.797 14.472 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 40 107.574 16.032 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.322 15.186 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.218 13.890 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.921 14.760 -2.246 1.00 0.00 H new ATOM 634 N ASN A 41 105.845 17.698 -1.086 1.00 0.00 N ATOM 635 CA ASN A 41 105.312 19.083 -0.872 1.00 0.00 C ATOM 636 C ASN A 41 106.456 20.116 -0.846 1.00 0.00 C ATOM 637 O ASN A 41 106.347 21.136 -0.191 1.00 0.00 O ATOM 638 CB ASN A 41 104.604 19.033 0.485 1.00 0.00 C ATOM 639 CG ASN A 41 103.749 20.289 0.662 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.827 20.521 -0.095 1.00 0.00 O ATOM 641 ND2 ASN A 41 104.018 21.115 1.636 1.00 0.00 N ATOM 0 H ASN A 41 106.003 17.160 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 41 104.641 19.386 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.978 18.143 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 41 105.338 18.964 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 41 103.454 21.956 1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 41 104.792 20.920 2.271 1.00 0.00 H new ATOM 648 N ASP A 42 107.554 19.861 -1.545 1.00 0.00 N ATOM 649 CA ASP A 42 108.657 20.876 -1.673 1.00 0.00 C ATOM 650 C ASP A 42 109.212 21.241 -0.290 1.00 0.00 C ATOM 651 O ASP A 42 109.646 22.358 -0.067 1.00 0.00 O ATOM 652 CB ASP A 42 108.030 22.111 -2.345 1.00 0.00 C ATOM 653 CG ASP A 42 107.543 21.743 -3.750 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.254 21.027 -4.436 1.00 0.00 O ATOM 655 OD2 ASP A 42 106.466 22.186 -4.117 1.00 0.00 O ATOM 0 H ASP A 42 107.728 18.983 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 42 109.488 20.486 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.197 22.479 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.762 22.917 -2.403 1.00 0.00 H new ATOM 660 N SER A 43 109.205 20.308 0.642 1.00 0.00 N ATOM 661 CA SER A 43 109.758 20.601 2.001 1.00 0.00 C ATOM 662 C SER A 43 110.853 19.594 2.359 1.00 0.00 C ATOM 663 O SER A 43 110.723 18.409 2.110 1.00 0.00 O ATOM 664 CB SER A 43 108.569 20.458 2.950 1.00 0.00 C ATOM 665 OG SER A 43 107.554 21.379 2.571 1.00 0.00 O ATOM 0 H SER A 43 108.841 19.363 0.516 1.00 0.00 H new ATOM 0 HA SER A 43 110.210 21.591 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.183 19.439 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.883 20.647 3.977 1.00 0.00 H new ATOM 0 HG SER A 43 107.149 21.090 1.727 1.00 0.00 H new ATOM 671 N THR A 44 111.930 20.062 2.940 1.00 0.00 N ATOM 672 CA THR A 44 113.011 19.133 3.398 1.00 0.00 C ATOM 673 C THR A 44 112.857 18.838 4.895 1.00 0.00 C ATOM 674 O THR A 44 112.366 19.661 5.646 1.00 0.00 O ATOM 675 CB THR A 44 114.337 19.863 3.111 1.00 0.00 C ATOM 676 OG1 THR A 44 115.420 19.040 3.520 1.00 0.00 O ATOM 677 CG2 THR A 44 114.407 21.201 3.864 1.00 0.00 C ATOM 0 H THR A 44 112.108 21.050 3.118 1.00 0.00 H new ATOM 0 HA THR A 44 112.970 18.173 2.883 1.00 0.00 H new ATOM 0 HB THR A 44 114.395 20.066 2.042 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.267 19.499 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.354 21.694 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.582 21.840 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.335 21.019 4.936 1.00 0.00 H new ATOM 685 N LYS A 45 113.273 17.674 5.328 1.00 0.00 N ATOM 686 CA LYS A 45 113.183 17.337 6.783 1.00 0.00 C ATOM 687 C LYS A 45 114.311 16.378 7.176 1.00 0.00 C ATOM 688 O LYS A 45 114.408 15.280 6.662 1.00 0.00 O ATOM 689 CB LYS A 45 111.820 16.664 6.950 1.00 0.00 C ATOM 690 CG LYS A 45 111.526 16.457 8.437 1.00 0.00 C ATOM 691 CD LYS A 45 110.185 15.737 8.599 1.00 0.00 C ATOM 692 CE LYS A 45 109.831 15.644 10.084 1.00 0.00 C ATOM 693 NZ LYS A 45 109.236 16.967 10.421 1.00 0.00 N ATOM 0 H LYS A 45 113.671 16.943 4.738 1.00 0.00 H new ATOM 0 HA LYS A 45 113.282 18.217 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.042 17.279 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.811 15.706 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.322 15.872 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.499 17.418 8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.404 16.275 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.241 14.739 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.126 14.834 10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.715 15.443 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.609 17.292 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.482 17.656 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.202 16.877 10.481 1.00 0.00 H new ATOM 707 N SER A 46 115.161 16.790 8.086 1.00 0.00 N ATOM 708 CA SER A 46 116.268 15.897 8.547 1.00 0.00 C ATOM 709 C SER A 46 115.861 15.170 9.831 1.00 0.00 C ATOM 710 O SER A 46 115.525 15.789 10.823 1.00 0.00 O ATOM 711 CB SER A 46 117.446 16.834 8.814 1.00 0.00 C ATOM 712 OG SER A 46 117.142 17.667 9.925 1.00 0.00 O ATOM 0 H SER A 46 115.135 17.708 8.529 1.00 0.00 H new ATOM 0 HA SER A 46 116.514 15.131 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.347 16.255 9.015 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.648 17.443 7.933 1.00 0.00 H new ATOM 0 HG SER A 46 116.330 17.341 10.366 1.00 0.00 H new ATOM 718 N ILE A 47 115.887 13.859 9.816 1.00 0.00 N ATOM 719 CA ILE A 47 115.507 13.075 11.032 1.00 0.00 C ATOM 720 C ILE A 47 116.601 12.048 11.335 1.00 0.00 C ATOM 721 O ILE A 47 117.095 11.381 10.444 1.00 0.00 O ATOM 722 CB ILE A 47 114.179 12.382 10.680 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.115 13.435 10.339 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.693 11.553 11.875 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.897 12.752 9.715 1.00 0.00 C ATOM 0 H ILE A 47 116.157 13.296 9.009 1.00 0.00 H new ATOM 0 HA ILE A 47 115.396 13.701 11.917 1.00 0.00 H new ATOM 0 HB ILE A 47 114.340 11.731 9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.821 13.974 11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.526 14.171 9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.752 11.064 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.439 10.798 12.121 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.541 12.207 12.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.143 13.502 9.474 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.197 12.233 8.804 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.481 12.033 10.421 1.00 0.00 H new ATOM 737 N VAL A 48 116.983 11.917 12.581 1.00 0.00 N ATOM 738 CA VAL A 48 118.042 10.922 12.941 1.00 0.00 C ATOM 739 C VAL A 48 117.405 9.530 13.072 1.00 0.00 C ATOM 740 O VAL A 48 116.441 9.347 13.785 1.00 0.00 O ATOM 741 CB VAL A 48 118.617 11.410 14.286 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.730 10.462 14.755 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.178 12.837 14.133 1.00 0.00 C ATOM 0 H VAL A 48 116.609 12.454 13.363 1.00 0.00 H new ATOM 0 HA VAL A 48 118.827 10.843 12.189 1.00 0.00 H new ATOM 0 HB VAL A 48 117.819 11.419 15.028 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.131 10.814 15.706 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.324 9.458 14.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.527 10.440 14.011 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.582 13.173 15.088 1.00 0.00 H new ATOM 0 HG22 VAL A 48 119.969 12.838 13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.380 13.510 13.819 1.00 0.00 H new ATOM 753 N THR A 49 117.950 8.552 12.385 1.00 0.00 N ATOM 754 CA THR A 49 117.271 7.214 12.275 1.00 0.00 C ATOM 755 C THR A 49 117.052 6.566 13.645 1.00 0.00 C ATOM 756 O THR A 49 116.169 5.748 13.814 1.00 0.00 O ATOM 757 CB THR A 49 118.218 6.353 11.434 1.00 0.00 C ATOM 758 OG1 THR A 49 119.517 6.385 12.006 1.00 0.00 O ATOM 759 CG2 THR A 49 118.271 6.895 10.004 1.00 0.00 C ATOM 0 H THR A 49 118.840 8.621 11.892 1.00 0.00 H new ATOM 0 HA THR A 49 116.282 7.316 11.828 1.00 0.00 H new ATOM 0 HB THR A 49 117.855 5.325 11.415 1.00 0.00 H new ATOM 0 HG1 THR A 49 119.956 7.230 11.773 1.00 0.00 H new ATOM 0 HG21 THR A 49 118.945 6.281 9.407 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.273 6.867 9.567 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.633 7.923 10.018 1.00 0.00 H new ATOM 767 N LYS A 50 117.850 6.920 14.621 1.00 0.00 N ATOM 768 CA LYS A 50 117.732 6.277 15.974 1.00 0.00 C ATOM 769 C LYS A 50 116.312 6.429 16.536 1.00 0.00 C ATOM 770 O LYS A 50 115.894 5.660 17.383 1.00 0.00 O ATOM 771 CB LYS A 50 118.748 7.010 16.863 1.00 0.00 C ATOM 772 CG LYS A 50 118.846 6.320 18.229 1.00 0.00 C ATOM 773 CD LYS A 50 119.571 7.243 19.212 1.00 0.00 C ATOM 774 CE LYS A 50 119.796 6.504 20.534 1.00 0.00 C ATOM 775 NZ LYS A 50 120.209 7.561 21.498 1.00 0.00 N ATOM 0 H LYS A 50 118.581 7.627 14.543 1.00 0.00 H new ATOM 0 HA LYS A 50 117.930 5.206 15.927 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.725 7.019 16.380 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.447 8.049 16.993 1.00 0.00 H new ATOM 0 HG2 LYS A 50 117.849 6.084 18.602 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.383 5.376 18.135 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.526 7.560 18.793 1.00 0.00 H new ATOM 0 HD3 LYS A 50 118.983 8.145 19.382 1.00 0.00 H new ATOM 0 HE2 LYS A 50 118.888 6.001 20.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 120.566 5.739 20.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 120.382 7.133 22.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.080 8.018 21.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 119.454 8.272 21.579 1.00 0.00 H new ATOM 789 N ASP A 51 115.571 7.407 16.075 1.00 0.00 N ATOM 790 CA ASP A 51 114.151 7.545 16.534 1.00 0.00 C ATOM 791 C ASP A 51 113.207 6.639 15.719 1.00 0.00 C ATOM 792 O ASP A 51 112.010 6.633 15.943 1.00 0.00 O ATOM 793 CB ASP A 51 113.789 9.032 16.348 1.00 0.00 C ATOM 794 CG ASP A 51 113.900 9.464 14.874 1.00 0.00 C ATOM 795 OD1 ASP A 51 114.026 8.604 14.016 1.00 0.00 O ATOM 796 OD2 ASP A 51 113.858 10.659 14.632 1.00 0.00 O ATOM 0 H ASP A 51 115.883 8.111 15.406 1.00 0.00 H new ATOM 0 HA ASP A 51 114.042 7.235 17.573 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.773 9.207 16.703 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.450 9.647 16.958 1.00 0.00 H new ATOM 801 N ILE A 52 113.729 5.876 14.779 1.00 0.00 N ATOM 802 CA ILE A 52 112.849 4.958 13.982 1.00 0.00 C ATOM 803 C ILE A 52 112.471 3.733 14.820 1.00 0.00 C ATOM 804 O ILE A 52 113.322 3.062 15.374 1.00 0.00 O ATOM 805 CB ILE A 52 113.678 4.542 12.752 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.017 5.781 11.914 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.874 3.559 11.889 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.014 5.402 10.813 1.00 0.00 C ATOM 0 H ILE A 52 114.718 5.851 14.533 1.00 0.00 H new ATOM 0 HA ILE A 52 111.919 5.443 13.686 1.00 0.00 H new ATOM 0 HB ILE A 52 114.597 4.064 13.091 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.110 6.192 11.471 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.441 6.558 12.550 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.466 3.269 11.021 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.632 2.673 12.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.952 4.036 11.557 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.253 6.284 10.219 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.925 5.012 11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.574 4.640 10.170 1.00 0.00 H new ATOM 820 N LYS A 53 111.197 3.446 14.910 1.00 0.00 N ATOM 821 CA LYS A 53 110.752 2.154 15.512 1.00 0.00 C ATOM 822 C LYS A 53 110.606 1.100 14.408 1.00 0.00 C ATOM 823 O LYS A 53 110.839 -0.073 14.629 1.00 0.00 O ATOM 824 CB LYS A 53 109.398 2.450 16.159 1.00 0.00 C ATOM 825 CG LYS A 53 108.945 1.240 16.978 1.00 0.00 C ATOM 826 CD LYS A 53 107.562 1.515 17.574 1.00 0.00 C ATOM 827 CE LYS A 53 107.180 0.378 18.524 1.00 0.00 C ATOM 828 NZ LYS A 53 105.711 0.521 18.723 1.00 0.00 N ATOM 0 H LYS A 53 110.443 4.054 14.591 1.00 0.00 H new ATOM 0 HA LYS A 53 111.463 1.767 16.242 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.474 3.328 16.800 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.659 2.679 15.391 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.910 0.352 16.346 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.662 1.037 17.774 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.567 2.464 18.110 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.822 1.602 16.778 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.428 -0.594 18.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.716 0.457 19.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 105.373 -0.225 19.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.506 1.453 19.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.227 0.435 17.807 1.00 0.00 H new ATOM 842 N ASP A 54 110.230 1.518 13.220 1.00 0.00 N ATOM 843 CA ASP A 54 110.000 0.546 12.105 1.00 0.00 C ATOM 844 C ASP A 54 110.029 1.281 10.761 1.00 0.00 C ATOM 845 O ASP A 54 109.808 2.476 10.694 1.00 0.00 O ATOM 846 CB ASP A 54 108.608 -0.053 12.349 1.00 0.00 C ATOM 847 CG ASP A 54 108.714 -1.308 13.221 1.00 0.00 C ATOM 848 OD1 ASP A 54 108.646 -1.174 14.432 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.863 -2.382 12.663 1.00 0.00 O ATOM 0 H ASP A 54 110.072 2.496 12.976 1.00 0.00 H new ATOM 0 HA ASP A 54 110.768 -0.227 12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.968 0.683 12.836 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.140 -0.302 11.397 1.00 0.00 H new ATOM 854 N LEU A 55 110.301 0.570 9.692 1.00 0.00 N ATOM 855 CA LEU A 55 110.352 1.213 8.341 1.00 0.00 C ATOM 856 C LEU A 55 109.562 0.385 7.324 1.00 0.00 C ATOM 857 O LEU A 55 109.483 -0.825 7.427 1.00 0.00 O ATOM 858 CB LEU A 55 111.835 1.238 7.966 1.00 0.00 C ATOM 859 CG LEU A 55 112.587 2.200 8.887 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.093 1.996 8.715 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.227 3.642 8.523 1.00 0.00 C ATOM 0 H LEU A 55 110.491 -0.432 9.698 1.00 0.00 H new ATOM 0 HA LEU A 55 109.913 2.211 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.257 0.236 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.952 1.548 6.928 1.00 0.00 H new ATOM 0 HG LEU A 55 112.307 2.004 9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.630 2.681 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.353 0.969 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.371 2.192 7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.763 4.328 9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.508 3.837 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.154 3.790 8.642 1.00 0.00 H new ATOM 873 N ARG A 56 108.978 1.034 6.346 1.00 0.00 N ATOM 874 CA ARG A 56 108.257 0.291 5.268 1.00 0.00 C ATOM 875 C ARG A 56 108.306 1.090 3.959 1.00 0.00 C ATOM 876 O ARG A 56 108.167 2.297 3.964 1.00 0.00 O ATOM 877 CB ARG A 56 106.811 0.151 5.778 1.00 0.00 C ATOM 878 CG ARG A 56 106.112 1.524 5.796 1.00 0.00 C ATOM 879 CD ARG A 56 105.150 1.612 6.986 1.00 0.00 C ATOM 880 NE ARG A 56 104.124 0.541 6.757 1.00 0.00 N ATOM 881 CZ ARG A 56 103.344 0.117 7.733 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.424 0.616 8.946 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.469 -0.819 7.486 1.00 0.00 N ATOM 0 H ARG A 56 108.970 2.049 6.249 1.00 0.00 H new ATOM 0 HA ARG A 56 108.703 -0.681 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.258 -0.537 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.812 -0.277 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.856 2.318 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.565 1.674 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.676 1.455 7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.684 2.596 7.041 1.00 0.00 H new ATOM 0 HE ARG A 56 104.028 0.132 5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 56 104.102 1.350 9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.808 0.269 9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.395 -1.213 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.859 -1.157 8.231 1.00 0.00 H new ATOM 897 N ILE A 57 108.501 0.429 2.848 1.00 0.00 N ATOM 898 CA ILE A 57 108.425 1.141 1.534 1.00 0.00 C ATOM 899 C ILE A 57 106.967 1.206 1.066 1.00 0.00 C ATOM 900 O ILE A 57 106.255 0.218 1.099 1.00 0.00 O ATOM 901 CB ILE A 57 109.271 0.318 0.550 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.701 0.155 1.088 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.324 1.054 -0.793 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.454 -0.875 0.242 1.00 0.00 C ATOM 0 H ILE A 57 108.709 -0.568 2.791 1.00 0.00 H new ATOM 0 HA ILE A 57 108.794 2.164 1.605 1.00 0.00 H new ATOM 0 HB ILE A 57 108.822 -0.667 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.221 1.112 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.674 -0.165 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.922 0.479 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.313 1.171 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.774 2.037 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.468 -0.989 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.937 -1.834 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.493 -0.537 -0.793 1.00 0.00 H new ATOM 916 N LEU A 58 106.521 2.359 0.630 1.00 0.00 N ATOM 917 CA LEU A 58 105.096 2.500 0.190 1.00 0.00 C ATOM 918 C LEU A 58 104.941 2.038 -1.268 1.00 0.00 C ATOM 919 O LEU A 58 105.900 2.057 -2.017 1.00 0.00 O ATOM 920 CB LEU A 58 104.777 3.992 0.313 1.00 0.00 C ATOM 921 CG LEU A 58 104.637 4.367 1.789 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.755 5.885 1.943 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.271 3.906 2.306 1.00 0.00 C ATOM 0 H LEU A 58 107.081 3.209 0.560 1.00 0.00 H new ATOM 0 HA LEU A 58 104.422 1.891 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.568 4.583 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.855 4.222 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 58 105.426 3.881 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.655 6.153 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.727 6.214 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.967 6.371 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.171 4.173 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.482 4.391 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.187 2.825 2.197 1.00 0.00 H new ATOM 1736 N SER B 257 112.410 -4.478 2.315 1.00 0.00 N ATOM 1737 CA SER B 257 112.118 -3.373 3.291 1.00 0.00 C ATOM 1738 C SER B 257 112.568 -3.772 4.701 1.00 0.00 C ATOM 1739 O SER B 257 113.024 -2.950 5.477 1.00 0.00 O ATOM 1740 CB SER B 257 110.598 -3.203 3.257 1.00 0.00 C ATOM 1741 OG SER B 257 110.254 -1.945 3.821 1.00 0.00 O ATOM 0 HA SER B 257 112.644 -2.454 3.033 1.00 0.00 H new ATOM 0 HB2 SER B 257 110.236 -3.266 2.231 1.00 0.00 H new ATOM 0 HB3 SER B 257 110.118 -4.008 3.814 1.00 0.00 H new ATOM 0 HG SER B 257 110.314 -1.997 4.798 1.00 0.00 H new ATOM 1747 N SER B 258 112.441 -5.036 5.027 1.00 0.00 N ATOM 1748 CA SER B 258 112.855 -5.517 6.383 1.00 0.00 C ATOM 1749 C SER B 258 114.378 -5.431 6.534 1.00 0.00 C ATOM 1750 O SER B 258 114.887 -5.195 7.615 1.00 0.00 O ATOM 1751 CB SER B 258 112.391 -6.973 6.462 1.00 0.00 C ATOM 1752 OG SER B 258 110.997 -7.036 6.193 1.00 0.00 O ATOM 0 H SER B 258 112.067 -5.757 4.410 1.00 0.00 H new ATOM 0 HA SER B 258 112.419 -4.913 7.179 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.940 -7.581 5.743 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.601 -7.381 7.451 1.00 0.00 H new ATOM 0 HG SER B 258 110.696 -7.968 6.241 1.00 0.00 H new ATOM 1758 N GLN B 259 115.106 -5.623 5.458 1.00 0.00 N ATOM 1759 CA GLN B 259 116.602 -5.549 5.530 1.00 0.00 C ATOM 1760 C GLN B 259 117.049 -4.129 5.897 1.00 0.00 C ATOM 1761 O GLN B 259 118.028 -3.943 6.597 1.00 0.00 O ATOM 1762 CB GLN B 259 117.102 -5.921 4.130 1.00 0.00 C ATOM 1763 CG GLN B 259 116.748 -7.378 3.828 1.00 0.00 C ATOM 1764 CD GLN B 259 117.300 -7.767 2.455 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.376 -7.346 2.076 1.00 0.00 O ATOM 1766 NE2 GLN B 259 116.605 -8.560 1.686 1.00 0.00 N ATOM 0 H GLN B 259 114.729 -5.828 4.533 1.00 0.00 H new ATOM 0 HA GLN B 259 117.003 -6.218 6.292 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.651 -5.265 3.386 1.00 0.00 H new ATOM 0 HB3 GLN B 259 118.181 -5.778 4.068 1.00 0.00 H new ATOM 0 HG2 GLN B 259 117.163 -8.030 4.596 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.666 -7.511 3.847 1.00 0.00 H new ATOM 0 HE21 GLN B 259 115.702 -8.914 2.002 1.00 0.00 H new ATOM 0 HE22 GLN B 259 116.965 -8.825 0.769 1.00 0.00 H new ATOM 1775 N LEU B 260 116.337 -3.131 5.429 1.00 0.00 N ATOM 1776 CA LEU B 260 116.703 -1.715 5.765 1.00 0.00 C ATOM 1777 C LEU B 260 116.524 -1.462 7.265 1.00 0.00 C ATOM 1778 O LEU B 260 117.360 -0.846 7.899 1.00 0.00 O ATOM 1779 CB LEU B 260 115.743 -0.839 4.954 1.00 0.00 C ATOM 1780 CG LEU B 260 116.075 -0.955 3.466 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.895 -0.445 2.637 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.316 -0.114 3.152 1.00 0.00 C ATOM 0 H LEU B 260 115.519 -3.234 4.829 1.00 0.00 H new ATOM 0 HA LEU B 260 117.744 -1.497 5.527 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.713 -1.149 5.132 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.823 0.200 5.275 1.00 0.00 H new ATOM 0 HG LEU B 260 116.269 -1.999 3.220 1.00 0.00 H new ATOM 0 HD11 LEU B 260 115.133 -0.528 1.576 1.00 0.00 H new ATOM 0 HD12 LEU B 260 114.010 -1.042 2.858 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.700 0.599 2.885 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.553 -0.197 2.091 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.121 0.929 3.400 1.00 0.00 H new ATOM 0 HD23 LEU B 260 118.159 -0.475 3.741 1.00 0.00 H new ATOM 1794 N LEU B 261 115.440 -1.936 7.831 1.00 0.00 N ATOM 1795 CA LEU B 261 115.256 -1.823 9.313 1.00 0.00 C ATOM 1796 C LEU B 261 116.222 -2.774 10.024 1.00 0.00 C ATOM 1797 O LEU B 261 116.754 -2.461 11.073 1.00 0.00 O ATOM 1798 CB LEU B 261 113.801 -2.225 9.581 1.00 0.00 C ATOM 1799 CG LEU B 261 113.425 -1.874 11.023 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.342 -0.353 11.178 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.066 -2.492 11.361 1.00 0.00 C ATOM 0 H LEU B 261 114.677 -2.395 7.333 1.00 0.00 H new ATOM 0 HA LEU B 261 115.461 -0.817 9.680 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.138 -1.710 8.886 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.672 -3.294 9.411 1.00 0.00 H new ATOM 0 HG LEU B 261 114.184 -2.267 11.699 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.074 -0.106 12.205 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.308 0.090 10.938 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.584 0.041 10.501 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.798 -2.242 12.388 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.309 -2.099 10.682 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.122 -3.575 11.254 1.00 0.00 H new ATOM 1813 N SER B 262 116.448 -3.936 9.455 1.00 0.00 N ATOM 1814 CA SER B 262 117.450 -4.891 10.035 1.00 0.00 C ATOM 1815 C SER B 262 118.852 -4.270 10.021 1.00 0.00 C ATOM 1816 O SER B 262 119.643 -4.488 10.921 1.00 0.00 O ATOM 1817 CB SER B 262 117.407 -6.124 9.130 1.00 0.00 C ATOM 1818 OG SER B 262 118.218 -7.147 9.692 1.00 0.00 O ATOM 0 H SER B 262 115.980 -4.266 8.611 1.00 0.00 H new ATOM 0 HA SER B 262 117.221 -5.138 11.071 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.381 -6.475 9.023 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.763 -5.869 8.132 1.00 0.00 H new ATOM 0 HG SER B 262 118.192 -7.939 9.116 1.00 0.00 H new ATOM 1824 N LEU B 263 119.161 -3.500 9.002 1.00 0.00 N ATOM 1825 CA LEU B 263 120.509 -2.846 8.923 1.00 0.00 C ATOM 1826 C LEU B 263 120.682 -1.848 10.072 1.00 0.00 C ATOM 1827 O LEU B 263 121.735 -1.764 10.677 1.00 0.00 O ATOM 1828 CB LEU B 263 120.533 -2.119 7.576 1.00 0.00 C ATOM 1829 CG LEU B 263 120.821 -3.122 6.455 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.303 -2.569 5.126 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.331 -3.356 6.355 1.00 0.00 C ATOM 0 H LEU B 263 118.537 -3.296 8.221 1.00 0.00 H new ATOM 0 HA LEU B 263 121.318 -3.572 9.004 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.577 -1.627 7.400 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.295 -1.340 7.585 1.00 0.00 H new ATOM 0 HG LEU B 263 120.320 -4.064 6.676 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.509 -3.284 4.329 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.228 -2.403 5.195 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.803 -1.626 4.905 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.537 -4.070 5.557 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.832 -2.413 6.136 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.701 -3.752 7.301 1.00 0.00 H new