USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 2:sc= 0.885 USER MOD Set 1.2: A 49 THR OG1 : rot -84:sc= 1.07 USER MOD Set 2.1: A 17 ASN : amide:sc= -1.02 K(o=0.15,f=-10!) USER MOD Set 2.2: A 19 SER OG : rot 98:sc= 1.17 USER MOD Set 3.1: A 7 TYR OH : rot 11:sc= 0.598 USER MOD Set 3.2: A 27 ASN : amide:sc= -0.129 K(o=0.47,f=2.6) USER MOD Single : A 2 SER OG : rot 31:sc= 0.154 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.4!) USER MOD Single : A 16 ASN : amide:sc= -1.96 K(o=-2,f=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.29 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=-0.74) USER MOD Single : A 36 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.038) USER MOD Single : A 43 SER OG : rot 70:sc= 0.11 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 18:sc= 1.07 USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.128 (180deg=-0.399) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 32:sc= 0.217 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc=-0.00435 K(o=-0.0044,f=-0.87) USER MOD Single : B 262 SER OG : rot -34:sc= -0.867 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.104 -1.377 0.942 1.00 0.00 N ATOM 45 CA SER A 2 123.434 -0.076 1.600 1.00 0.00 C ATOM 46 C SER A 2 122.325 0.948 1.337 1.00 0.00 C ATOM 47 O SER A 2 121.484 0.755 0.479 1.00 0.00 O ATOM 48 CB SER A 2 124.742 0.373 0.952 1.00 0.00 C ATOM 49 OG SER A 2 125.757 -0.582 1.232 1.00 0.00 O ATOM 0 HA SER A 2 123.526 -0.172 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.611 0.476 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.033 1.352 1.333 1.00 0.00 H new ATOM 0 HG SER A 2 125.356 -1.473 1.310 1.00 0.00 H new ATOM 55 N VAL A 3 122.323 2.034 2.072 1.00 0.00 N ATOM 56 CA VAL A 3 121.280 3.095 1.864 1.00 0.00 C ATOM 57 C VAL A 3 121.441 3.732 0.475 1.00 0.00 C ATOM 58 O VAL A 3 120.485 4.210 -0.106 1.00 0.00 O ATOM 59 CB VAL A 3 121.513 4.138 2.973 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.460 5.247 2.873 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.400 3.465 4.346 1.00 0.00 C ATOM 0 H VAL A 3 122.999 2.234 2.809 1.00 0.00 H new ATOM 0 HA VAL A 3 120.271 2.686 1.912 1.00 0.00 H new ATOM 0 HB VAL A 3 122.508 4.566 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.630 5.982 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.535 5.733 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.465 4.816 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.565 4.205 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.405 3.033 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.149 2.677 4.428 1.00 0.00 H new ATOM 71 N ALA A 4 122.645 3.742 -0.057 1.00 0.00 N ATOM 72 CA ALA A 4 122.877 4.347 -1.415 1.00 0.00 C ATOM 73 C ALA A 4 121.949 3.703 -2.451 1.00 0.00 C ATOM 74 O ALA A 4 121.532 4.337 -3.404 1.00 0.00 O ATOM 75 CB ALA A 4 124.339 4.038 -1.750 1.00 0.00 C ATOM 0 H ALA A 4 123.477 3.358 0.390 1.00 0.00 H new ATOM 0 HA ALA A 4 122.673 5.418 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.583 4.449 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.987 4.486 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.489 2.958 -1.762 1.00 0.00 H new ATOM 81 N ASP A 5 121.629 2.446 -2.264 1.00 0.00 N ATOM 82 CA ASP A 5 120.647 1.768 -3.171 1.00 0.00 C ATOM 83 C ASP A 5 119.248 2.351 -2.955 1.00 0.00 C ATOM 84 O ASP A 5 118.474 2.488 -3.884 1.00 0.00 O ATOM 85 CB ASP A 5 120.678 0.288 -2.779 1.00 0.00 C ATOM 86 CG ASP A 5 122.053 -0.306 -3.099 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.580 0.004 -4.155 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.554 -1.060 -2.282 1.00 0.00 O ATOM 0 H ASP A 5 122.006 1.858 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 5 120.897 1.908 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.464 0.180 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.902 -0.256 -3.318 1.00 0.00 H new ATOM 93 N PHE A 6 118.924 2.695 -1.731 1.00 0.00 N ATOM 94 CA PHE A 6 117.585 3.296 -1.437 1.00 0.00 C ATOM 95 C PHE A 6 117.667 4.831 -1.366 1.00 0.00 C ATOM 96 O PHE A 6 116.723 5.483 -0.958 1.00 0.00 O ATOM 97 CB PHE A 6 117.183 2.718 -0.079 1.00 0.00 C ATOM 98 CG PHE A 6 117.014 1.218 -0.089 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.119 0.378 0.199 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.752 0.649 -0.386 1.00 0.00 C ATOM 101 CE1 PHE A 6 117.961 -1.029 0.189 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.594 -0.759 -0.396 1.00 0.00 C ATOM 103 CZ PHE A 6 116.699 -1.598 -0.109 1.00 0.00 C ATOM 0 H PHE A 6 119.533 2.585 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 6 116.860 3.065 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.939 2.986 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.248 3.179 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.082 0.811 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.910 1.288 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.803 -1.668 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.631 -1.193 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.579 -2.671 -0.118 1.00 0.00 H new ATOM 113 N TYR A 7 118.782 5.413 -1.755 1.00 0.00 N ATOM 114 CA TYR A 7 118.909 6.908 -1.727 1.00 0.00 C ATOM 115 C TYR A 7 117.971 7.535 -2.765 1.00 0.00 C ATOM 116 O TYR A 7 117.976 7.157 -3.923 1.00 0.00 O ATOM 117 CB TYR A 7 120.372 7.178 -2.099 1.00 0.00 C ATOM 118 CG TYR A 7 120.922 8.490 -1.577 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.185 9.689 -1.732 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.193 8.519 -0.949 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.718 10.915 -1.264 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.721 9.745 -0.476 1.00 0.00 C ATOM 123 CZ TYR A 7 121.985 10.944 -0.635 1.00 0.00 C ATOM 124 OH TYR A 7 122.508 12.146 -0.190 1.00 0.00 O ATOM 0 H TYR A 7 119.608 4.917 -2.090 1.00 0.00 H new ATOM 0 HA TYR A 7 118.643 7.332 -0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.987 6.363 -1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.466 7.166 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.216 9.669 -2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.758 7.606 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 7 120.156 11.829 -1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.687 9.765 0.007 1.00 0.00 H new ATOM 0 HH TYR A 7 121.816 12.839 -0.231 1.00 0.00 H new ATOM 134 N GLY A 8 117.170 8.488 -2.355 1.00 0.00 N ATOM 135 CA GLY A 8 116.159 9.087 -3.282 1.00 0.00 C ATOM 136 C GLY A 8 114.897 8.208 -3.352 1.00 0.00 C ATOM 137 O GLY A 8 113.955 8.538 -4.049 1.00 0.00 O ATOM 0 H GLY A 8 117.173 8.879 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.893 10.087 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.589 9.194 -4.278 1.00 0.00 H new ATOM 141 N SER A 9 114.862 7.097 -2.647 1.00 0.00 N ATOM 142 CA SER A 9 113.635 6.240 -2.649 1.00 0.00 C ATOM 143 C SER A 9 112.551 6.858 -1.762 1.00 0.00 C ATOM 144 O SER A 9 112.825 7.326 -0.672 1.00 0.00 O ATOM 145 CB SER A 9 114.082 4.893 -2.075 1.00 0.00 C ATOM 146 OG SER A 9 113.002 3.972 -2.142 1.00 0.00 O ATOM 0 H SER A 9 115.630 6.750 -2.073 1.00 0.00 H new ATOM 0 HA SER A 9 113.213 6.139 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.936 4.511 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.407 5.015 -1.042 1.00 0.00 H new ATOM 0 HG SER A 9 113.286 3.108 -1.777 1.00 0.00 H new ATOM 152 N ASN A 10 111.324 6.863 -2.223 1.00 0.00 N ATOM 153 CA ASN A 10 110.194 7.342 -1.366 1.00 0.00 C ATOM 154 C ASN A 10 109.723 6.210 -0.457 1.00 0.00 C ATOM 155 O ASN A 10 109.298 5.166 -0.919 1.00 0.00 O ATOM 156 CB ASN A 10 109.083 7.741 -2.341 1.00 0.00 C ATOM 157 CG ASN A 10 108.146 8.750 -1.670 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.902 8.674 -0.481 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.608 9.697 -2.386 1.00 0.00 N ATOM 0 H ASN A 10 111.056 6.555 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 10 110.485 8.176 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.515 8.175 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.522 6.859 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.983 10.374 -1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.812 9.761 -3.383 1.00 0.00 H new ATOM 166 N VAL A 11 109.794 6.414 0.831 1.00 0.00 N ATOM 167 CA VAL A 11 109.378 5.348 1.791 1.00 0.00 C ATOM 168 C VAL A 11 108.684 5.987 2.994 1.00 0.00 C ATOM 169 O VAL A 11 108.784 7.182 3.209 1.00 0.00 O ATOM 170 CB VAL A 11 110.676 4.632 2.212 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.337 3.993 0.985 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.654 5.630 2.849 1.00 0.00 C ATOM 0 H VAL A 11 110.124 7.277 1.263 1.00 0.00 H new ATOM 0 HA VAL A 11 108.673 4.643 1.350 1.00 0.00 H new ATOM 0 HB VAL A 11 110.426 3.860 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.254 3.488 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.654 3.269 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.573 4.767 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.566 5.110 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.897 6.411 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.194 6.078 3.730 1.00 0.00 H new ATOM 182 N GLU A 12 107.985 5.205 3.778 1.00 0.00 N ATOM 183 CA GLU A 12 107.353 5.761 5.011 1.00 0.00 C ATOM 184 C GLU A 12 108.076 5.231 6.251 1.00 0.00 C ATOM 185 O GLU A 12 108.274 4.041 6.403 1.00 0.00 O ATOM 186 CB GLU A 12 105.907 5.258 4.972 1.00 0.00 C ATOM 187 CG GLU A 12 105.110 5.880 6.123 1.00 0.00 C ATOM 188 CD GLU A 12 103.696 5.298 6.139 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.498 4.293 6.803 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.834 5.867 5.490 1.00 0.00 O ATOM 0 H GLU A 12 107.826 4.210 3.618 1.00 0.00 H new ATOM 0 HA GLU A 12 107.403 6.849 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.448 5.517 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.888 4.171 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.607 5.681 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.067 6.963 6.006 1.00 0.00 H new ATOM 197 N VAL A 13 108.472 6.112 7.135 1.00 0.00 N ATOM 198 CA VAL A 13 109.199 5.676 8.365 1.00 0.00 C ATOM 199 C VAL A 13 108.278 5.794 9.583 1.00 0.00 C ATOM 200 O VAL A 13 107.706 6.838 9.839 1.00 0.00 O ATOM 201 CB VAL A 13 110.389 6.644 8.487 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.236 6.277 9.709 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.265 6.553 7.231 1.00 0.00 C ATOM 0 H VAL A 13 108.322 7.118 7.057 1.00 0.00 H new ATOM 0 HA VAL A 13 109.526 4.638 8.312 1.00 0.00 H new ATOM 0 HB VAL A 13 110.006 7.658 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.077 6.966 9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.625 6.344 10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.610 5.259 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.106 7.241 7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.639 5.535 7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.674 6.819 6.355 1.00 0.00 H new ATOM 213 N LEU A 14 108.134 4.728 10.331 1.00 0.00 N ATOM 214 CA LEU A 14 107.334 4.790 11.591 1.00 0.00 C ATOM 215 C LEU A 14 108.276 5.024 12.777 1.00 0.00 C ATOM 216 O LEU A 14 109.246 4.310 12.956 1.00 0.00 O ATOM 217 CB LEU A 14 106.655 3.420 11.697 1.00 0.00 C ATOM 218 CG LEU A 14 105.748 3.377 12.931 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.482 4.191 12.668 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.364 1.925 13.229 1.00 0.00 C ATOM 0 H LEU A 14 108.538 3.815 10.122 1.00 0.00 H new ATOM 0 HA LEU A 14 106.603 5.599 11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 14 106.069 3.225 10.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.409 2.636 11.763 1.00 0.00 H new ATOM 0 HG LEU A 14 106.279 3.799 13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.839 4.158 13.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.752 5.225 12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.950 3.771 11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.719 1.892 14.107 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.835 1.506 12.373 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.265 1.342 13.419 1.00 0.00 H new ATOM 232 N LEU A 15 107.995 6.015 13.585 1.00 0.00 N ATOM 233 CA LEU A 15 108.949 6.390 14.675 1.00 0.00 C ATOM 234 C LEU A 15 108.550 5.732 16.003 1.00 0.00 C ATOM 235 O LEU A 15 107.430 5.291 16.179 1.00 0.00 O ATOM 236 CB LEU A 15 108.856 7.914 14.783 1.00 0.00 C ATOM 237 CG LEU A 15 109.377 8.557 13.495 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.032 10.047 13.492 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.897 8.390 13.418 1.00 0.00 C ATOM 0 H LEU A 15 107.147 6.581 13.538 1.00 0.00 H new ATOM 0 HA LEU A 15 109.963 6.055 14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.822 8.213 14.958 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.437 8.264 15.636 1.00 0.00 H new ATOM 0 HG LEU A 15 108.912 8.073 12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.403 10.505 12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.950 10.170 13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.496 10.530 14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.267 8.848 12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.360 8.874 14.278 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.147 7.329 13.420 1.00 0.00 H new ATOM 251 N ASN A 16 109.475 5.670 16.936 1.00 0.00 N ATOM 252 CA ASN A 16 109.187 5.047 18.276 1.00 0.00 C ATOM 253 C ASN A 16 108.009 5.744 18.978 1.00 0.00 C ATOM 254 O ASN A 16 107.376 5.175 19.848 1.00 0.00 O ATOM 255 CB ASN A 16 110.479 5.225 19.096 1.00 0.00 C ATOM 256 CG ASN A 16 110.846 6.710 19.209 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.074 7.503 19.712 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.999 7.121 18.758 1.00 0.00 N ATOM 0 H ASN A 16 110.424 6.026 16.827 1.00 0.00 H new ATOM 0 HA ASN A 16 108.905 3.999 18.171 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.346 4.801 20.091 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.295 4.678 18.623 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.252 8.107 18.828 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.648 6.457 18.336 1.00 0.00 H new ATOM 265 N ASN A 17 107.716 6.967 18.602 1.00 0.00 N ATOM 266 CA ASN A 17 106.613 7.728 19.277 1.00 0.00 C ATOM 267 C ASN A 17 105.269 7.508 18.559 1.00 0.00 C ATOM 268 O ASN A 17 104.366 8.314 18.670 1.00 0.00 O ATOM 269 CB ASN A 17 107.037 9.207 19.218 1.00 0.00 C ATOM 270 CG ASN A 17 107.200 9.671 17.764 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.282 9.574 16.976 1.00 0.00 O ATOM 272 ND2 ASN A 17 108.340 10.174 17.376 1.00 0.00 N ATOM 0 H ASN A 17 108.193 7.473 17.856 1.00 0.00 H new ATOM 0 HA ASN A 17 106.465 7.394 20.304 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.291 9.824 19.720 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.976 9.342 19.755 1.00 0.00 H new ATOM 0 HD21 ASN A 17 108.458 10.485 16.412 1.00 0.00 H new ATOM 0 HD22 ASN A 17 109.112 10.256 18.037 1.00 0.00 H new ATOM 279 N ASP A 18 105.134 6.422 17.819 1.00 0.00 N ATOM 280 CA ASP A 18 103.808 6.040 17.216 1.00 0.00 C ATOM 281 C ASP A 18 103.302 7.139 16.270 1.00 0.00 C ATOM 282 O ASP A 18 102.109 7.310 16.097 1.00 0.00 O ATOM 283 CB ASP A 18 102.836 5.852 18.392 1.00 0.00 C ATOM 284 CG ASP A 18 103.311 4.693 19.275 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.729 3.686 18.725 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.247 4.833 20.485 1.00 0.00 O ATOM 0 H ASP A 18 105.896 5.778 17.606 1.00 0.00 H new ATOM 0 HA ASP A 18 103.895 5.129 16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.778 6.769 18.979 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.832 5.649 18.018 1.00 0.00 H new ATOM 291 N SER A 19 104.198 7.883 15.659 1.00 0.00 N ATOM 292 CA SER A 19 103.782 8.827 14.577 1.00 0.00 C ATOM 293 C SER A 19 104.307 8.326 13.231 1.00 0.00 C ATOM 294 O SER A 19 105.394 7.782 13.146 1.00 0.00 O ATOM 295 CB SER A 19 104.424 10.165 14.939 1.00 0.00 C ATOM 296 OG SER A 19 104.036 10.530 16.257 1.00 0.00 O ATOM 0 H SER A 19 105.197 7.875 15.865 1.00 0.00 H new ATOM 0 HA SER A 19 102.699 8.913 14.493 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.510 10.090 14.875 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.115 10.933 14.230 1.00 0.00 H new ATOM 0 HG SER A 19 104.745 10.282 16.887 1.00 0.00 H new ATOM 302 N LYS A 20 103.546 8.506 12.180 1.00 0.00 N ATOM 303 CA LYS A 20 103.961 7.977 10.846 1.00 0.00 C ATOM 304 C LYS A 20 104.343 9.127 9.909 1.00 0.00 C ATOM 305 O LYS A 20 103.757 10.193 9.953 1.00 0.00 O ATOM 306 CB LYS A 20 102.723 7.256 10.311 1.00 0.00 C ATOM 307 CG LYS A 20 102.533 5.937 11.061 1.00 0.00 C ATOM 308 CD LYS A 20 101.111 5.420 10.835 1.00 0.00 C ATOM 309 CE LYS A 20 100.975 4.900 9.401 1.00 0.00 C ATOM 310 NZ LYS A 20 99.516 4.951 9.111 1.00 0.00 N ATOM 0 H LYS A 20 102.653 8.998 12.190 1.00 0.00 H new ATOM 0 HA LYS A 20 104.829 7.321 10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.842 7.886 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.833 7.066 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.258 5.201 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.713 6.083 12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.886 4.623 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.390 6.218 11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.538 5.518 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.360 3.884 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.342 4.609 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.006 4.348 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.179 5.931 9.198 1.00 0.00 H new ATOM 324 N ALA A 21 105.321 8.911 9.064 1.00 0.00 N ATOM 325 CA ALA A 21 105.709 9.963 8.072 1.00 0.00 C ATOM 326 C ALA A 21 106.336 9.315 6.834 1.00 0.00 C ATOM 327 O ALA A 21 106.823 8.202 6.891 1.00 0.00 O ATOM 328 CB ALA A 21 106.729 10.839 8.798 1.00 0.00 C ATOM 0 H ALA A 21 105.868 8.051 9.018 1.00 0.00 H new ATOM 0 HA ALA A 21 104.852 10.542 7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.062 11.636 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.269 11.274 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.585 10.232 9.094 1.00 0.00 H new ATOM 334 N ARG A 22 106.325 10.004 5.717 1.00 0.00 N ATOM 335 CA ARG A 22 106.958 9.450 4.480 1.00 0.00 C ATOM 336 C ARG A 22 107.618 10.569 3.670 1.00 0.00 C ATOM 337 O ARG A 22 107.211 11.714 3.736 1.00 0.00 O ATOM 338 CB ARG A 22 105.815 8.791 3.691 1.00 0.00 C ATOM 339 CG ARG A 22 104.737 9.826 3.339 1.00 0.00 C ATOM 340 CD ARG A 22 103.490 9.107 2.813 1.00 0.00 C ATOM 341 NE ARG A 22 102.547 10.197 2.402 1.00 0.00 N ATOM 342 CZ ARG A 22 101.517 9.953 1.614 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.267 8.746 1.159 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.724 10.935 1.282 1.00 0.00 N ATOM 0 H ARG A 22 105.904 10.927 5.610 1.00 0.00 H new ATOM 0 HA ARG A 22 107.744 8.731 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.207 8.341 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.376 7.986 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.485 10.417 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.115 10.519 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.735 8.461 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 22 103.048 8.474 3.582 1.00 0.00 H new ATOM 0 HE ARG A 22 102.705 11.147 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.876 7.969 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.463 8.586 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.904 11.876 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.924 10.761 0.674 1.00 0.00 H new ATOM 358 N GLY A 23 108.636 10.239 2.912 1.00 0.00 N ATOM 359 CA GLY A 23 109.345 11.279 2.108 1.00 0.00 C ATOM 360 C GLY A 23 110.344 10.595 1.173 1.00 0.00 C ATOM 361 O GLY A 23 110.579 9.404 1.272 1.00 0.00 O ATOM 0 H GLY A 23 109.005 9.293 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.627 11.861 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.863 11.975 2.767 1.00 0.00 H new ATOM 365 N VAL A 24 110.932 11.338 0.267 1.00 0.00 N ATOM 366 CA VAL A 24 111.976 10.750 -0.631 1.00 0.00 C ATOM 367 C VAL A 24 113.361 11.010 -0.034 1.00 0.00 C ATOM 368 O VAL A 24 113.716 12.134 0.257 1.00 0.00 O ATOM 369 CB VAL A 24 111.821 11.478 -1.979 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.786 10.877 -3.008 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.384 11.328 -2.495 1.00 0.00 C ATOM 0 H VAL A 24 110.734 12.326 0.110 1.00 0.00 H new ATOM 0 HA VAL A 24 111.865 9.672 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 24 112.048 12.534 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.672 11.396 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.811 10.989 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.562 9.819 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.284 11.846 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 24 110.154 10.271 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.691 11.760 -1.773 1.00 0.00 H new ATOM 381 N ILE A 25 114.143 9.975 0.144 1.00 0.00 N ATOM 382 CA ILE A 25 115.430 10.113 0.910 1.00 0.00 C ATOM 383 C ILE A 25 116.380 11.102 0.213 1.00 0.00 C ATOM 384 O ILE A 25 116.521 11.100 -0.995 1.00 0.00 O ATOM 385 CB ILE A 25 116.019 8.689 0.955 1.00 0.00 C ATOM 386 CG1 ILE A 25 115.214 7.846 1.948 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.492 8.718 1.394 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.479 6.361 1.692 1.00 0.00 C ATOM 0 H ILE A 25 113.950 9.037 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 25 115.275 10.513 1.912 1.00 0.00 H new ATOM 0 HB ILE A 25 115.963 8.256 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.492 8.105 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 25 114.150 8.059 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.885 7.701 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.070 9.314 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.567 9.159 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.906 5.762 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.179 6.108 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.542 6.154 1.819 1.00 0.00 H new ATOM 400 N THR A 26 117.027 11.943 0.986 1.00 0.00 N ATOM 401 CA THR A 26 117.970 12.946 0.407 1.00 0.00 C ATOM 402 C THR A 26 119.387 12.777 0.973 1.00 0.00 C ATOM 403 O THR A 26 120.336 13.260 0.383 1.00 0.00 O ATOM 404 CB THR A 26 117.400 14.313 0.795 1.00 0.00 C ATOM 405 OG1 THR A 26 117.027 14.303 2.167 1.00 0.00 O ATOM 406 CG2 THR A 26 116.174 14.622 -0.068 1.00 0.00 C ATOM 0 H THR A 26 116.939 11.975 2.002 1.00 0.00 H new ATOM 0 HA THR A 26 118.056 12.827 -0.673 1.00 0.00 H new ATOM 0 HB THR A 26 118.158 15.079 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.391 15.028 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.770 15.595 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.463 14.635 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.415 13.856 0.090 1.00 0.00 H new ATOM 414 N ASN A 27 119.557 12.110 2.104 1.00 0.00 N ATOM 415 CA ASN A 27 120.951 11.867 2.612 1.00 0.00 C ATOM 416 C ASN A 27 120.975 10.809 3.722 1.00 0.00 C ATOM 417 O ASN A 27 119.980 10.541 4.365 1.00 0.00 O ATOM 418 CB ASN A 27 121.423 13.217 3.159 1.00 0.00 C ATOM 419 CG ASN A 27 122.950 13.289 3.099 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.529 13.250 2.031 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.631 13.392 4.207 1.00 0.00 N ATOM 0 H ASN A 27 118.806 11.733 2.682 1.00 0.00 H new ATOM 0 HA ASN A 27 121.595 11.489 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.987 14.029 2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.083 13.343 4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.649 13.440 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.145 13.425 5.103 1.00 0.00 H new ATOM 428 N PHE A 28 122.126 10.213 3.934 1.00 0.00 N ATOM 429 CA PHE A 28 122.318 9.273 5.081 1.00 0.00 C ATOM 430 C PHE A 28 123.781 9.317 5.530 1.00 0.00 C ATOM 431 O PHE A 28 124.685 9.108 4.742 1.00 0.00 O ATOM 432 CB PHE A 28 121.959 7.890 4.538 1.00 0.00 C ATOM 433 CG PHE A 28 122.084 6.787 5.565 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.976 6.444 6.377 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.314 6.102 5.718 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.098 5.413 7.341 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.434 5.071 6.682 1.00 0.00 C ATOM 438 CZ PHE A 28 122.327 4.727 7.493 1.00 0.00 C ATOM 0 H PHE A 28 122.952 10.342 3.350 1.00 0.00 H new ATOM 0 HA PHE A 28 121.702 9.530 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.936 7.911 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.606 7.662 3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.039 6.968 6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.160 6.365 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.253 5.150 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.371 4.547 6.798 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.420 3.941 8.228 1.00 0.00 H new ATOM 448 N ASP A 29 124.016 9.586 6.790 1.00 0.00 N ATOM 449 CA ASP A 29 125.416 9.652 7.301 1.00 0.00 C ATOM 450 C ASP A 29 125.765 8.326 7.964 1.00 0.00 C ATOM 451 O ASP A 29 125.013 7.832 8.775 1.00 0.00 O ATOM 452 CB ASP A 29 125.414 10.786 8.327 1.00 0.00 C ATOM 453 CG ASP A 29 126.850 11.081 8.765 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.511 11.847 8.083 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.264 10.537 9.775 1.00 0.00 O ATOM 0 H ASP A 29 123.294 9.763 7.488 1.00 0.00 H new ATOM 0 HA ASP A 29 126.148 9.831 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.963 11.680 7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.809 10.509 9.190 1.00 0.00 H new ATOM 460 N SER A 30 126.890 7.747 7.628 1.00 0.00 N ATOM 461 CA SER A 30 127.233 6.398 8.182 1.00 0.00 C ATOM 462 C SER A 30 127.586 6.499 9.668 1.00 0.00 C ATOM 463 O SER A 30 127.017 5.810 10.494 1.00 0.00 O ATOM 464 CB SER A 30 128.440 5.919 7.374 1.00 0.00 C ATOM 465 OG SER A 30 128.732 4.571 7.721 1.00 0.00 O ATOM 0 H SER A 30 127.584 8.147 6.997 1.00 0.00 H new ATOM 0 HA SER A 30 126.395 5.706 8.105 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.231 5.995 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 30 129.303 6.554 7.576 1.00 0.00 H new ATOM 0 HG SER A 30 129.504 4.260 7.204 1.00 0.00 H new ATOM 471 N SER A 31 128.518 7.355 10.012 1.00 0.00 N ATOM 472 CA SER A 31 128.982 7.442 11.436 1.00 0.00 C ATOM 473 C SER A 31 127.828 7.857 12.358 1.00 0.00 C ATOM 474 O SER A 31 127.712 7.374 13.470 1.00 0.00 O ATOM 475 CB SER A 31 130.077 8.511 11.443 1.00 0.00 C ATOM 476 OG SER A 31 131.073 8.168 10.489 1.00 0.00 O ATOM 0 H SER A 31 128.979 7.998 9.369 1.00 0.00 H new ATOM 0 HA SER A 31 129.347 6.481 11.799 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.651 9.486 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.519 8.589 12.436 1.00 0.00 H new ATOM 0 HG SER A 31 131.775 8.851 10.489 1.00 0.00 H new ATOM 482 N ASN A 32 126.980 8.744 11.900 1.00 0.00 N ATOM 483 CA ASN A 32 125.869 9.248 12.769 1.00 0.00 C ATOM 484 C ASN A 32 124.518 8.617 12.387 1.00 0.00 C ATOM 485 O ASN A 32 123.548 8.776 13.102 1.00 0.00 O ATOM 486 CB ASN A 32 125.833 10.757 12.524 1.00 0.00 C ATOM 487 CG ASN A 32 127.114 11.399 13.063 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.629 10.991 14.086 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.655 12.394 12.414 1.00 0.00 N ATOM 0 H ASN A 32 127.008 9.142 10.961 1.00 0.00 H new ATOM 0 HA ASN A 32 126.038 8.994 13.815 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.734 10.960 11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.962 11.194 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.509 12.828 12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.224 12.737 11.556 1.00 0.00 H new ATOM 496 N SER A 33 124.445 7.905 11.274 1.00 0.00 N ATOM 497 CA SER A 33 123.132 7.350 10.783 1.00 0.00 C ATOM 498 C SER A 33 122.028 8.420 10.818 1.00 0.00 C ATOM 499 O SER A 33 121.081 8.334 11.579 1.00 0.00 O ATOM 500 CB SER A 33 122.811 6.166 11.707 1.00 0.00 C ATOM 501 OG SER A 33 122.307 6.638 12.950 1.00 0.00 O ATOM 0 H SER A 33 125.246 7.685 10.682 1.00 0.00 H new ATOM 0 HA SER A 33 123.193 7.029 9.743 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.078 5.513 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 123.709 5.570 11.872 1.00 0.00 H new ATOM 0 HG SER A 33 122.241 7.615 12.926 1.00 0.00 H new ATOM 507 N ILE A 34 122.155 9.428 9.989 1.00 0.00 N ATOM 508 CA ILE A 34 121.168 10.555 10.012 1.00 0.00 C ATOM 509 C ILE A 34 120.513 10.680 8.634 1.00 0.00 C ATOM 510 O ILE A 34 121.189 10.805 7.633 1.00 0.00 O ATOM 511 CB ILE A 34 121.985 11.819 10.341 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.765 11.630 11.663 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.049 13.028 10.465 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.812 11.410 12.851 1.00 0.00 C ATOM 0 H ILE A 34 122.899 9.520 9.297 1.00 0.00 H new ATOM 0 HA ILE A 34 120.375 10.399 10.743 1.00 0.00 H new ATOM 0 HB ILE A 34 122.696 11.992 9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.438 10.777 11.572 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.385 12.507 11.850 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.633 13.918 10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.520 13.177 9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.327 12.849 11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.393 11.281 13.764 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.157 12.275 12.957 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.210 10.518 12.674 1.00 0.00 H new ATOM 526 N LEU A 35 119.205 10.653 8.583 1.00 0.00 N ATOM 527 CA LEU A 35 118.503 10.552 7.269 1.00 0.00 C ATOM 528 C LEU A 35 117.664 11.803 7.014 1.00 0.00 C ATOM 529 O LEU A 35 116.772 12.129 7.776 1.00 0.00 O ATOM 530 CB LEU A 35 117.603 9.322 7.404 1.00 0.00 C ATOM 531 CG LEU A 35 116.963 8.997 6.051 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.935 8.169 5.210 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.676 8.201 6.277 1.00 0.00 C ATOM 0 H LEU A 35 118.592 10.697 9.397 1.00 0.00 H new ATOM 0 HA LEU A 35 119.198 10.466 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.186 8.470 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.828 9.507 8.148 1.00 0.00 H new ATOM 0 HG LEU A 35 116.731 9.924 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.478 7.938 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.852 8.736 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.169 7.241 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.218 7.968 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.909 7.274 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.983 8.792 6.875 1.00 0.00 H new ATOM 545 N GLN A 36 117.948 12.499 5.944 1.00 0.00 N ATOM 546 CA GLN A 36 117.053 13.608 5.509 1.00 0.00 C ATOM 547 C GLN A 36 116.012 13.057 4.540 1.00 0.00 C ATOM 548 O GLN A 36 116.346 12.342 3.615 1.00 0.00 O ATOM 549 CB GLN A 36 117.967 14.608 4.801 1.00 0.00 C ATOM 550 CG GLN A 36 118.888 15.273 5.826 1.00 0.00 C ATOM 551 CD GLN A 36 119.758 16.320 5.128 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.304 17.411 4.843 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.997 16.033 4.839 1.00 0.00 N ATOM 0 H GLN A 36 118.764 12.345 5.352 1.00 0.00 H new ATOM 0 HA GLN A 36 116.522 14.073 6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.559 14.100 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.370 15.363 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.296 15.742 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.517 14.523 6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.378 15.117 5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.585 16.724 4.374 1.00 0.00 H new ATOM 562 N LEU A 37 114.758 13.378 4.746 1.00 0.00 N ATOM 563 CA LEU A 37 113.705 12.948 3.777 1.00 0.00 C ATOM 564 C LEU A 37 113.036 14.173 3.154 1.00 0.00 C ATOM 565 O LEU A 37 112.512 15.025 3.849 1.00 0.00 O ATOM 566 CB LEU A 37 112.694 12.163 4.614 1.00 0.00 C ATOM 567 CG LEU A 37 113.323 10.853 5.090 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.501 10.284 6.248 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.339 9.846 3.935 1.00 0.00 C ATOM 0 H LEU A 37 114.420 13.918 5.542 1.00 0.00 H new ATOM 0 HA LEU A 37 114.113 12.352 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.377 12.758 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.802 11.955 4.023 1.00 0.00 H new ATOM 0 HG LEU A 37 114.343 11.040 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.949 9.350 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.486 11.000 7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.481 10.096 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.787 8.912 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.318 9.659 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.923 10.250 3.108 1.00 0.00 H new ATOM 581 N ARG A 38 113.053 14.262 1.848 1.00 0.00 N ATOM 582 CA ARG A 38 112.306 15.355 1.154 1.00 0.00 C ATOM 583 C ARG A 38 111.040 14.794 0.496 1.00 0.00 C ATOM 584 O ARG A 38 111.105 14.135 -0.525 1.00 0.00 O ATOM 585 CB ARG A 38 113.275 15.877 0.091 1.00 0.00 C ATOM 586 CG ARG A 38 112.693 17.132 -0.565 1.00 0.00 C ATOM 587 CD ARG A 38 113.664 17.648 -1.632 1.00 0.00 C ATOM 588 NE ARG A 38 113.088 18.952 -2.096 1.00 0.00 N ATOM 589 CZ ARG A 38 113.486 19.519 -3.219 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.406 18.970 -3.980 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.955 20.654 -3.581 1.00 0.00 N ATOM 0 H ARG A 38 113.554 13.623 1.231 1.00 0.00 H new ATOM 0 HA ARG A 38 111.987 16.140 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.239 16.106 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.452 15.109 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.727 16.905 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.520 17.902 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.664 17.784 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.753 16.942 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 38 112.373 19.411 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.831 18.084 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.695 19.430 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.242 21.092 -2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 38 113.253 21.103 -4.447 1.00 0.00 H new ATOM 605 N LEU A 39 109.895 15.051 1.075 1.00 0.00 N ATOM 606 CA LEU A 39 108.623 14.474 0.532 1.00 0.00 C ATOM 607 C LEU A 39 108.089 15.338 -0.623 1.00 0.00 C ATOM 608 O LEU A 39 108.400 16.514 -0.731 1.00 0.00 O ATOM 609 CB LEU A 39 107.660 14.465 1.731 1.00 0.00 C ATOM 610 CG LEU A 39 106.262 13.960 1.331 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.325 12.521 0.802 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.369 13.986 2.569 1.00 0.00 C ATOM 0 H LEU A 39 109.784 15.637 1.903 1.00 0.00 H new ATOM 0 HA LEU A 39 108.755 13.475 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.065 13.830 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.580 15.471 2.142 1.00 0.00 H new ATOM 0 HG LEU A 39 105.867 14.602 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.323 12.190 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.973 12.483 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.724 11.866 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.372 13.631 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.793 13.340 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.303 15.006 2.949 1.00 0.00 H new ATOM 624 N ALA A 40 107.280 14.753 -1.478 1.00 0.00 N ATOM 625 CA ALA A 40 106.864 15.438 -2.749 1.00 0.00 C ATOM 626 C ALA A 40 105.967 16.660 -2.483 1.00 0.00 C ATOM 627 O ALA A 40 105.588 17.358 -3.406 1.00 0.00 O ATOM 628 CB ALA A 40 106.090 14.382 -3.541 1.00 0.00 C ATOM 0 H ALA A 40 106.886 13.821 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 40 107.734 15.815 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.753 14.810 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.739 13.529 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.226 14.054 -2.963 1.00 0.00 H new ATOM 634 N ASN A 41 105.622 16.931 -1.243 1.00 0.00 N ATOM 635 CA ASN A 41 104.873 18.189 -0.923 1.00 0.00 C ATOM 636 C ASN A 41 105.845 19.364 -0.702 1.00 0.00 C ATOM 637 O ASN A 41 105.549 20.274 0.048 1.00 0.00 O ATOM 638 CB ASN A 41 104.107 17.881 0.367 1.00 0.00 C ATOM 639 CG ASN A 41 103.028 16.832 0.083 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.963 15.817 0.748 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.175 17.035 -0.883 1.00 0.00 N ATOM 0 H ASN A 41 105.827 16.335 -0.441 1.00 0.00 H new ATOM 0 HA ASN A 41 104.209 18.482 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.793 17.515 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.651 18.791 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.453 16.342 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.230 17.887 -1.441 1.00 0.00 H new ATOM 648 N ASP A 42 107.009 19.350 -1.342 1.00 0.00 N ATOM 649 CA ASP A 42 107.967 20.507 -1.257 1.00 0.00 C ATOM 650 C ASP A 42 108.396 20.738 0.198 1.00 0.00 C ATOM 651 O ASP A 42 108.664 21.856 0.599 1.00 0.00 O ATOM 652 CB ASP A 42 107.214 21.737 -1.800 1.00 0.00 C ATOM 653 CG ASP A 42 106.840 21.508 -3.268 1.00 0.00 C ATOM 654 OD1 ASP A 42 107.666 20.982 -3.996 1.00 0.00 O ATOM 655 OD2 ASP A 42 105.733 21.863 -3.637 1.00 0.00 O ATOM 0 H ASP A 42 107.332 18.576 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 42 108.872 20.315 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.315 21.915 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.837 22.627 -1.708 1.00 0.00 H new ATOM 660 N SER A 43 108.463 19.687 0.992 1.00 0.00 N ATOM 661 CA SER A 43 108.923 19.841 2.405 1.00 0.00 C ATOM 662 C SER A 43 110.082 18.882 2.687 1.00 0.00 C ATOM 663 O SER A 43 110.085 17.752 2.236 1.00 0.00 O ATOM 664 CB SER A 43 107.707 19.483 3.260 1.00 0.00 C ATOM 665 OG SER A 43 106.673 20.430 3.022 1.00 0.00 O ATOM 0 H SER A 43 108.219 18.735 0.718 1.00 0.00 H new ATOM 0 HA SER A 43 109.284 20.847 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.360 18.479 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 43 107.978 19.480 4.316 1.00 0.00 H new ATOM 0 HG SER A 43 106.316 20.304 2.118 1.00 0.00 H new ATOM 671 N THR A 44 111.063 19.328 3.433 1.00 0.00 N ATOM 672 CA THR A 44 112.230 18.452 3.759 1.00 0.00 C ATOM 673 C THR A 44 112.468 18.437 5.273 1.00 0.00 C ATOM 674 O THR A 44 112.223 19.416 5.955 1.00 0.00 O ATOM 675 CB THR A 44 113.427 19.062 3.009 1.00 0.00 C ATOM 676 OG1 THR A 44 114.585 18.275 3.254 1.00 0.00 O ATOM 677 CG2 THR A 44 113.678 20.501 3.475 1.00 0.00 C ATOM 0 H THR A 44 111.105 20.266 3.832 1.00 0.00 H new ATOM 0 HA THR A 44 112.067 17.417 3.459 1.00 0.00 H new ATOM 0 HB THR A 44 113.205 19.075 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.349 18.660 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.528 20.916 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.793 21.106 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.892 20.505 4.544 1.00 0.00 H new ATOM 685 N LYS A 45 112.943 17.334 5.797 1.00 0.00 N ATOM 686 CA LYS A 45 113.159 17.236 7.273 1.00 0.00 C ATOM 687 C LYS A 45 114.319 16.283 7.585 1.00 0.00 C ATOM 688 O LYS A 45 114.418 15.210 7.019 1.00 0.00 O ATOM 689 CB LYS A 45 111.846 16.684 7.830 1.00 0.00 C ATOM 690 CG LYS A 45 111.865 16.756 9.358 1.00 0.00 C ATOM 691 CD LYS A 45 110.558 16.185 9.913 1.00 0.00 C ATOM 692 CE LYS A 45 110.511 16.395 11.428 1.00 0.00 C ATOM 693 NZ LYS A 45 109.321 15.626 11.886 1.00 0.00 N ATOM 0 H LYS A 45 113.190 16.498 5.267 1.00 0.00 H new ATOM 0 HA LYS A 45 113.418 18.199 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.005 17.256 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.707 15.652 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.714 16.195 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.989 17.789 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.706 16.674 9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.485 15.123 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 45 111.422 16.034 11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.418 17.452 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.222 15.721 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.468 15.996 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.441 14.622 11.641 1.00 0.00 H new ATOM 707 N SER A 46 115.193 16.675 8.481 1.00 0.00 N ATOM 708 CA SER A 46 116.326 15.783 8.876 1.00 0.00 C ATOM 709 C SER A 46 115.956 14.984 10.129 1.00 0.00 C ATOM 710 O SER A 46 115.656 15.547 11.165 1.00 0.00 O ATOM 711 CB SER A 46 117.491 16.728 9.169 1.00 0.00 C ATOM 712 OG SER A 46 117.195 17.497 10.327 1.00 0.00 O ATOM 0 H SER A 46 115.169 17.577 8.956 1.00 0.00 H new ATOM 0 HA SER A 46 116.573 15.060 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.407 16.157 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.664 17.385 8.317 1.00 0.00 H new ATOM 0 HG SER A 46 116.474 17.065 10.831 1.00 0.00 H new ATOM 718 N ILE A 47 115.976 13.676 10.037 1.00 0.00 N ATOM 719 CA ILE A 47 115.626 12.825 11.217 1.00 0.00 C ATOM 720 C ILE A 47 116.724 11.779 11.431 1.00 0.00 C ATOM 721 O ILE A 47 117.210 11.182 10.488 1.00 0.00 O ATOM 722 CB ILE A 47 114.287 12.155 10.862 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.220 13.228 10.603 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.829 11.266 12.023 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.983 12.581 9.975 1.00 0.00 C ATOM 0 H ILE A 47 116.221 13.160 9.192 1.00 0.00 H new ATOM 0 HA ILE A 47 115.541 13.401 12.139 1.00 0.00 H new ATOM 0 HB ILE A 47 114.422 11.549 9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.951 13.720 11.537 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.617 13.997 9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.881 10.794 11.767 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.579 10.497 12.210 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.702 11.874 12.919 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.227 13.344 9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.258 12.109 9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.582 11.828 10.654 1.00 0.00 H new ATOM 737 N VAL A 48 117.116 11.554 12.661 1.00 0.00 N ATOM 738 CA VAL A 48 118.171 10.530 12.937 1.00 0.00 C ATOM 739 C VAL A 48 117.528 9.135 12.960 1.00 0.00 C ATOM 740 O VAL A 48 116.561 8.901 13.654 1.00 0.00 O ATOM 741 CB VAL A 48 118.755 10.901 14.314 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.878 9.923 14.688 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.307 12.340 14.283 1.00 0.00 C ATOM 0 H VAL A 48 116.752 12.034 13.484 1.00 0.00 H new ATOM 0 HA VAL A 48 118.952 10.512 12.177 1.00 0.00 H new ATOM 0 HB VAL A 48 117.963 10.839 15.061 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.285 10.192 15.663 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.479 8.909 14.729 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.668 9.972 13.938 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.718 12.593 15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.092 12.413 13.530 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.503 13.033 14.037 1.00 0.00 H new ATOM 753 N THR A 49 118.066 8.210 12.201 1.00 0.00 N ATOM 754 CA THR A 49 117.382 6.887 11.999 1.00 0.00 C ATOM 755 C THR A 49 117.150 6.162 13.327 1.00 0.00 C ATOM 756 O THR A 49 116.206 5.408 13.471 1.00 0.00 O ATOM 757 CB THR A 49 118.336 6.071 11.119 1.00 0.00 C ATOM 758 OG1 THR A 49 119.616 6.018 11.732 1.00 0.00 O ATOM 759 CG2 THR A 49 118.454 6.727 9.740 1.00 0.00 C ATOM 0 H THR A 49 118.954 8.313 11.709 1.00 0.00 H new ATOM 0 HA THR A 49 116.400 7.020 11.545 1.00 0.00 H new ATOM 0 HB THR A 49 117.946 5.060 11.004 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.121 6.827 11.506 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.133 6.145 9.117 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.471 6.764 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.842 7.740 9.851 1.00 0.00 H new ATOM 767 N LYS A 50 118.004 6.384 14.295 1.00 0.00 N ATOM 768 CA LYS A 50 117.931 5.599 15.571 1.00 0.00 C ATOM 769 C LYS A 50 116.569 5.766 16.250 1.00 0.00 C ATOM 770 O LYS A 50 116.125 4.893 16.974 1.00 0.00 O ATOM 771 CB LYS A 50 119.047 6.156 16.460 1.00 0.00 C ATOM 772 CG LYS A 50 119.232 5.254 17.683 1.00 0.00 C ATOM 773 CD LYS A 50 119.941 6.036 18.794 1.00 0.00 C ATOM 774 CE LYS A 50 121.446 6.112 18.500 1.00 0.00 C ATOM 775 NZ LYS A 50 121.657 7.447 17.871 1.00 0.00 N ATOM 0 H LYS A 50 118.752 7.077 14.259 1.00 0.00 H new ATOM 0 HA LYS A 50 118.051 4.532 15.385 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.978 6.216 15.896 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.801 7.169 16.777 1.00 0.00 H new ATOM 0 HG2 LYS A 50 118.264 4.898 18.035 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.816 4.374 17.414 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.524 7.041 18.866 1.00 0.00 H new ATOM 0 HD3 LYS A 50 119.773 5.551 19.756 1.00 0.00 H new ATOM 0 HE2 LYS A 50 122.031 6.011 19.414 1.00 0.00 H new ATOM 0 HE3 LYS A 50 121.757 5.309 17.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 122.579 7.828 18.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.637 7.350 16.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 120.902 8.096 18.172 1.00 0.00 H new ATOM 789 N ASP A 51 115.906 6.873 16.027 1.00 0.00 N ATOM 790 CA ASP A 51 114.541 7.046 16.616 1.00 0.00 C ATOM 791 C ASP A 51 113.471 6.358 15.748 1.00 0.00 C ATOM 792 O ASP A 51 112.297 6.407 16.065 1.00 0.00 O ATOM 793 CB ASP A 51 114.298 8.564 16.708 1.00 0.00 C ATOM 794 CG ASP A 51 114.373 9.225 15.324 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.735 8.729 14.409 1.00 0.00 O ATOM 796 OD2 ASP A 51 115.063 10.224 15.208 1.00 0.00 O ATOM 0 H ASP A 51 116.245 7.657 15.469 1.00 0.00 H new ATOM 0 HA ASP A 51 114.476 6.582 17.600 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.320 8.752 17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 51 115.039 9.014 17.369 1.00 0.00 H new ATOM 801 N ILE A 52 113.859 5.718 14.660 1.00 0.00 N ATOM 802 CA ILE A 52 112.855 4.955 13.846 1.00 0.00 C ATOM 803 C ILE A 52 112.570 3.601 14.504 1.00 0.00 C ATOM 804 O ILE A 52 113.476 2.879 14.877 1.00 0.00 O ATOM 805 CB ILE A 52 113.490 4.766 12.457 1.00 0.00 C ATOM 806 CG1 ILE A 52 113.748 6.143 11.824 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.532 3.964 11.563 1.00 0.00 C ATOM 808 CD1 ILE A 52 114.444 5.979 10.466 1.00 0.00 C ATOM 0 H ILE A 52 114.816 5.693 14.307 1.00 0.00 H new ATOM 0 HA ILE A 52 111.905 5.484 13.773 1.00 0.00 H new ATOM 0 HB ILE A 52 114.432 4.227 12.556 1.00 0.00 H new ATOM 0 HG12 ILE A 52 112.805 6.675 11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.367 6.746 12.488 1.00 0.00 H new ATOM 0 HG21 ILE A 52 112.980 3.829 10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.345 2.989 12.013 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.591 4.504 11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 114.622 6.961 10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.396 5.466 10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 113.810 5.394 9.800 1.00 0.00 H new ATOM 820 N LYS A 53 111.313 3.262 14.641 1.00 0.00 N ATOM 821 CA LYS A 53 110.946 1.900 15.133 1.00 0.00 C ATOM 822 C LYS A 53 110.740 0.947 13.950 1.00 0.00 C ATOM 823 O LYS A 53 110.875 -0.254 14.091 1.00 0.00 O ATOM 824 CB LYS A 53 109.639 2.088 15.904 1.00 0.00 C ATOM 825 CG LYS A 53 109.308 0.803 16.667 1.00 0.00 C ATOM 826 CD LYS A 53 107.832 0.813 17.074 1.00 0.00 C ATOM 827 CE LYS A 53 107.614 1.830 18.198 1.00 0.00 C ATOM 828 NZ LYS A 53 106.459 1.302 18.975 1.00 0.00 N ATOM 0 H LYS A 53 110.523 3.872 14.432 1.00 0.00 H new ATOM 0 HA LYS A 53 111.726 1.467 15.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.731 2.923 16.599 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.830 2.334 15.216 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.518 -0.066 16.044 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.939 0.721 17.552 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.210 1.066 16.216 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.529 -0.180 17.405 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.502 1.923 18.824 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.401 2.821 17.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.248 1.946 19.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.627 1.231 18.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.694 0.360 19.349 1.00 0.00 H new ATOM 842 N ASP A 54 110.418 1.472 12.784 1.00 0.00 N ATOM 843 CA ASP A 54 110.114 0.588 11.609 1.00 0.00 C ATOM 844 C ASP A 54 110.159 1.394 10.305 1.00 0.00 C ATOM 845 O ASP A 54 109.919 2.588 10.294 1.00 0.00 O ATOM 846 CB ASP A 54 108.698 0.052 11.851 1.00 0.00 C ATOM 847 CG ASP A 54 108.762 -1.261 12.637 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.042 -2.280 12.027 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.528 -1.224 13.833 1.00 0.00 O ATOM 0 H ASP A 54 110.353 2.473 12.598 1.00 0.00 H new ATOM 0 HA ASP A 54 110.842 -0.217 11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.111 0.787 12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.194 -0.109 10.898 1.00 0.00 H new ATOM 854 N LEU A 55 110.468 0.741 9.207 1.00 0.00 N ATOM 855 CA LEU A 55 110.503 1.439 7.885 1.00 0.00 C ATOM 856 C LEU A 55 109.754 0.619 6.829 1.00 0.00 C ATOM 857 O LEU A 55 109.666 -0.592 6.923 1.00 0.00 O ATOM 858 CB LEU A 55 111.987 1.536 7.517 1.00 0.00 C ATOM 859 CG LEU A 55 112.710 2.491 8.480 1.00 0.00 C ATOM 860 CD1 LEU A 55 113.381 1.689 9.603 1.00 0.00 C ATOM 861 CD2 LEU A 55 113.778 3.280 7.714 1.00 0.00 C ATOM 0 H LEU A 55 110.698 -0.252 9.173 1.00 0.00 H new ATOM 0 HA LEU A 55 110.027 2.418 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.445 0.548 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.093 1.892 6.492 1.00 0.00 H new ATOM 0 HG LEU A 55 111.984 3.180 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 55 113.892 2.371 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 55 112.624 1.129 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.104 0.996 9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 55 114.290 3.957 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 55 114.500 2.588 7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 55 113.304 3.857 6.919 1.00 0.00 H new ATOM 873 N ARG A 56 109.214 1.272 5.829 1.00 0.00 N ATOM 874 CA ARG A 56 108.561 0.538 4.701 1.00 0.00 C ATOM 875 C ARG A 56 108.647 1.371 3.416 1.00 0.00 C ATOM 876 O ARG A 56 108.598 2.583 3.459 1.00 0.00 O ATOM 877 CB ARG A 56 107.099 0.347 5.133 1.00 0.00 C ATOM 878 CG ARG A 56 106.404 1.710 5.276 1.00 0.00 C ATOM 879 CD ARG A 56 104.954 1.510 5.730 1.00 0.00 C ATOM 880 NE ARG A 56 105.040 0.893 7.094 1.00 0.00 N ATOM 881 CZ ARG A 56 104.003 0.288 7.641 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.847 0.204 7.022 1.00 0.00 N ATOM 883 NH2 ARG A 56 104.127 -0.237 8.829 1.00 0.00 N ATOM 0 H ARG A 56 109.198 2.288 5.746 1.00 0.00 H new ATOM 0 HA ARG A 56 109.043 -0.417 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.572 -0.262 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 56 107.060 -0.190 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.939 2.327 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.427 2.241 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.419 2.459 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.413 0.862 5.040 1.00 0.00 H new ATOM 0 HE ARG A 56 105.919 0.942 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.734 0.613 6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.062 -0.270 7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.017 -0.177 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.333 -0.708 9.264 1.00 0.00 H new ATOM 897 N ILE A 57 108.778 0.733 2.283 1.00 0.00 N ATOM 898 CA ILE A 57 108.734 1.485 0.990 1.00 0.00 C ATOM 899 C ILE A 57 107.281 1.625 0.513 1.00 0.00 C ATOM 900 O ILE A 57 106.528 0.669 0.514 1.00 0.00 O ATOM 901 CB ILE A 57 109.551 0.659 -0.016 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.973 0.423 0.519 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.639 1.435 -1.335 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.647 -0.688 -0.290 1.00 0.00 C ATOM 0 H ILE A 57 108.913 -0.274 2.195 1.00 0.00 H new ATOM 0 HA ILE A 57 109.142 2.490 1.097 1.00 0.00 H new ATOM 0 HB ILE A 57 109.064 -0.304 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.556 1.342 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.935 0.148 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.217 0.859 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.635 1.605 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 57 110.128 2.394 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.655 -0.855 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 57 111.068 -1.607 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.698 -0.395 -1.339 1.00 0.00 H new ATOM 916 N LEU A 58 106.886 2.810 0.108 1.00 0.00 N ATOM 917 CA LEU A 58 105.481 3.016 -0.365 1.00 0.00 C ATOM 918 C LEU A 58 105.360 2.617 -1.848 1.00 0.00 C ATOM 919 O LEU A 58 106.230 2.943 -2.633 1.00 0.00 O ATOM 920 CB LEU A 58 105.210 4.512 -0.194 1.00 0.00 C ATOM 921 CG LEU A 58 105.112 4.852 1.293 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.156 6.371 1.473 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.796 4.311 1.854 1.00 0.00 C ATOM 0 H LEU A 58 107.476 3.642 0.085 1.00 0.00 H new ATOM 0 HA LEU A 58 104.768 2.409 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 106.009 5.091 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.284 4.784 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 58 105.948 4.398 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.086 6.614 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.093 6.758 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.320 6.825 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.726 4.553 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.960 4.765 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.763 3.229 1.726 1.00 0.00 H new ATOM 1736 N SER B 257 110.833 -4.135 3.281 1.00 0.00 N ATOM 1737 CA SER B 257 110.750 -3.167 4.427 1.00 0.00 C ATOM 1738 C SER B 257 111.530 -3.697 5.634 1.00 0.00 C ATOM 1739 O SER B 257 112.136 -2.944 6.375 1.00 0.00 O ATOM 1740 CB SER B 257 109.261 -3.076 4.766 1.00 0.00 C ATOM 1741 OG SER B 257 108.538 -2.690 3.604 1.00 0.00 O ATOM 0 HA SER B 257 111.176 -2.197 4.170 1.00 0.00 H new ATOM 0 HB2 SER B 257 108.900 -4.038 5.131 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.102 -2.352 5.565 1.00 0.00 H new ATOM 0 HG SER B 257 108.984 -3.047 2.808 1.00 0.00 H new ATOM 1747 N SER B 258 111.513 -4.994 5.828 1.00 0.00 N ATOM 1748 CA SER B 258 112.238 -5.596 6.992 1.00 0.00 C ATOM 1749 C SER B 258 113.753 -5.484 6.794 1.00 0.00 C ATOM 1750 O SER B 258 114.499 -5.336 7.746 1.00 0.00 O ATOM 1751 CB SER B 258 111.811 -7.065 7.023 1.00 0.00 C ATOM 1752 OG SER B 258 112.335 -7.683 8.191 1.00 0.00 O ATOM 0 H SER B 258 111.028 -5.663 5.230 1.00 0.00 H new ATOM 0 HA SER B 258 112.000 -5.085 7.925 1.00 0.00 H new ATOM 0 HB2 SER B 258 110.724 -7.140 7.015 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.172 -7.579 6.132 1.00 0.00 H new ATOM 0 HG SER B 258 112.062 -8.624 8.214 1.00 0.00 H new ATOM 1758 N GLN B 259 114.211 -5.553 5.567 1.00 0.00 N ATOM 1759 CA GLN B 259 115.686 -5.486 5.299 1.00 0.00 C ATOM 1760 C GLN B 259 116.253 -4.132 5.736 1.00 0.00 C ATOM 1761 O GLN B 259 117.350 -4.050 6.255 1.00 0.00 O ATOM 1762 CB GLN B 259 115.838 -5.663 3.786 1.00 0.00 C ATOM 1763 CG GLN B 259 115.442 -7.089 3.395 1.00 0.00 C ATOM 1764 CD GLN B 259 115.518 -7.246 1.874 1.00 0.00 C ATOM 1765 OE1 GLN B 259 115.218 -6.324 1.139 1.00 0.00 O ATOM 1766 NE2 GLN B 259 115.909 -8.382 1.367 1.00 0.00 N ATOM 0 H GLN B 259 113.627 -5.653 4.737 1.00 0.00 H new ATOM 0 HA GLN B 259 116.229 -6.251 5.854 1.00 0.00 H new ATOM 0 HB2 GLN B 259 115.211 -4.943 3.260 1.00 0.00 H new ATOM 0 HB3 GLN B 259 116.868 -5.466 3.488 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.105 -7.806 3.878 1.00 0.00 H new ATOM 0 HG3 GLN B 259 114.432 -7.305 3.743 1.00 0.00 H new ATOM 0 HE21 GLN B 259 116.161 -9.155 1.982 1.00 0.00 H new ATOM 0 HE22 GLN B 259 115.963 -8.497 0.355 1.00 0.00 H new ATOM 1775 N LEU B 260 115.510 -3.070 5.530 1.00 0.00 N ATOM 1776 CA LEU B 260 116.005 -1.715 5.936 1.00 0.00 C ATOM 1777 C LEU B 260 116.046 -1.600 7.461 1.00 0.00 C ATOM 1778 O LEU B 260 116.982 -1.061 8.023 1.00 0.00 O ATOM 1779 CB LEU B 260 115.001 -0.718 5.348 1.00 0.00 C ATOM 1780 CG LEU B 260 115.090 -0.741 3.821 1.00 0.00 C ATOM 1781 CD1 LEU B 260 113.898 0.013 3.228 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.390 -0.065 3.375 1.00 0.00 C ATOM 0 H LEU B 260 114.585 -3.082 5.100 1.00 0.00 H new ATOM 0 HA LEU B 260 117.016 -1.527 5.575 1.00 0.00 H new ATOM 0 HB2 LEU B 260 113.990 -0.973 5.667 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.209 0.285 5.720 1.00 0.00 H new ATOM 0 HG LEU B 260 115.077 -1.774 3.473 1.00 0.00 H new ATOM 0 HD11 LEU B 260 113.962 -0.004 2.140 1.00 0.00 H new ATOM 0 HD12 LEU B 260 112.971 -0.465 3.545 1.00 0.00 H new ATOM 0 HD13 LEU B 260 113.911 1.046 3.576 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.454 -0.081 2.287 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.401 0.968 3.724 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.241 -0.600 3.796 1.00 0.00 H new ATOM 1794 N LEU B 261 115.037 -2.102 8.134 1.00 0.00 N ATOM 1795 CA LEU B 261 115.038 -2.066 9.630 1.00 0.00 C ATOM 1796 C LEU B 261 116.089 -3.036 10.174 1.00 0.00 C ATOM 1797 O LEU B 261 116.782 -2.739 11.129 1.00 0.00 O ATOM 1798 CB LEU B 261 113.627 -2.496 10.052 1.00 0.00 C ATOM 1799 CG LEU B 261 113.458 -2.320 11.566 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.479 -0.831 11.920 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.119 -2.923 12.002 1.00 0.00 C ATOM 0 H LEU B 261 114.215 -2.534 7.712 1.00 0.00 H new ATOM 0 HA LEU B 261 115.284 -1.078 10.019 1.00 0.00 H new ATOM 0 HB2 LEU B 261 112.883 -1.901 9.523 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.457 -3.537 9.777 1.00 0.00 H new ATOM 0 HG LEU B 261 114.275 -2.826 12.080 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.359 -0.711 12.997 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.430 -0.397 11.611 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.664 -0.323 11.405 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.997 -2.799 13.078 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.305 -2.415 11.484 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.100 -3.984 11.755 1.00 0.00 H new ATOM 1813 N SER B 262 116.209 -4.195 9.569 1.00 0.00 N ATOM 1814 CA SER B 262 117.256 -5.177 10.005 1.00 0.00 C ATOM 1815 C SER B 262 118.659 -4.596 9.791 1.00 0.00 C ATOM 1816 O SER B 262 119.561 -4.833 10.575 1.00 0.00 O ATOM 1817 CB SER B 262 117.051 -6.410 9.122 1.00 0.00 C ATOM 1818 OG SER B 262 117.389 -6.089 7.779 1.00 0.00 O ATOM 0 H SER B 262 115.626 -4.504 8.791 1.00 0.00 H new ATOM 0 HA SER B 262 117.169 -5.417 11.065 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.670 -7.233 9.478 1.00 0.00 H new ATOM 0 HB3 SER B 262 116.015 -6.743 9.178 1.00 0.00 H new ATOM 0 HG SER B 262 117.157 -5.154 7.598 1.00 0.00 H new ATOM 1824 N LEU B 263 118.846 -3.838 8.734 1.00 0.00 N ATOM 1825 CA LEU B 263 120.188 -3.223 8.473 1.00 0.00 C ATOM 1826 C LEU B 263 120.531 -2.203 9.564 1.00 0.00 C ATOM 1827 O LEU B 263 121.653 -2.136 10.030 1.00 0.00 O ATOM 1828 CB LEU B 263 120.063 -2.528 7.114 1.00 0.00 C ATOM 1829 CG LEU B 263 120.161 -3.568 5.997 1.00 0.00 C ATOM 1830 CD1 LEU B 263 119.581 -2.990 4.706 1.00 0.00 C ATOM 1831 CD2 LEU B 263 121.629 -3.936 5.774 1.00 0.00 C ATOM 0 H LEU B 263 118.129 -3.619 8.043 1.00 0.00 H new ATOM 0 HA LEU B 263 120.981 -3.970 8.474 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.112 -1.999 7.050 1.00 0.00 H new ATOM 0 HB3 LEU B 263 120.850 -1.783 7.001 1.00 0.00 H new ATOM 0 HG LEU B 263 119.599 -4.458 6.280 1.00 0.00 H new ATOM 0 HD11 LEU B 263 119.652 -3.732 3.911 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.535 -2.725 4.863 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.142 -2.100 4.422 1.00 0.00 H new ATOM 0 HD21 LEU B 263 121.701 -4.677 4.978 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.189 -3.044 5.491 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.044 -4.349 6.693 1.00 0.00 H new