USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 702 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 83 SER OG : rot -153:sc= 0.806 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 179:sc= -0.271! (180deg=-1.08!) USER MOD Set 2.1: A 41 THR OG1 : rot -106:sc= -1.53 USER MOD Set 2.2: A 69 SER OG : rot 9:sc= 0.448 USER MOD Set 3.1: A 44 THR OG1 : rot 90:sc= -0.562 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0.069 USER MOD Set 4.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 22 GLN :FLIP amide:sc= -0.074 F(o=-0.61,f=-0.074) USER MOD Set 5.1: A 3 HIS : no HD1:sc= -5.05! C(o=-7.9!,f=-11!) USER MOD Set 5.2: A 13 SER OG : rot 112:sc= -2.89! USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 160:sc= -0.112 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -67:sc= 0.897 USER MOD Single : A 16 MET CE :methyl -102:sc= -0.18 (180deg=-1.71!) USER MOD Single : A 17 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.01) USER MOD Single : A 21 THR OG1 : rot 137:sc= 0.567 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.7) USER MOD Single : A 27 MET CE :methyl -102:sc= -0.228 (180deg=-2.08!) USER MOD Single : A 30 THR OG1 : rot 160:sc= -1.27 USER MOD Single : A 34 ASN : amide:sc= -3.05! X(o=-3.1!,f=-3.5) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -168:sc= 0.537 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 100:sc= -0.953 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.31 F(o=-2.1!,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0.607 F(o=-0.52,f=0.61) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 79 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-5!) USER MOD Single : A 84 THR OG1 : rot 150:sc= -4.96! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.165 USER MOD Single : A 87 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.3!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.69 K(o=-1.7,f=-8.2!) USER MOD Single : A 92 GLN : amide:sc=-0.00967 X(o=-0.0097,f=0) USER MOD Single : A 94 TYR OH : rot 24:sc= 0.00188 USER MOD Single : A 95 SER OG : rot 160:sc= -2.6! USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 50.494 5.577 -43.194 1.00 0.00 N ATOM 2 CA TYR A 1 49.725 4.939 -42.094 1.00 0.00 C ATOM 3 C TYR A 1 48.270 4.718 -42.494 1.00 0.00 C ATOM 4 O TYR A 1 47.595 5.640 -42.952 1.00 0.00 O ATOM 5 CB TYR A 1 49.802 5.841 -40.860 1.00 0.00 C ATOM 6 CG TYR A 1 50.819 5.384 -39.838 1.00 0.00 C ATOM 7 CD1 TYR A 1 52.169 5.308 -40.160 1.00 0.00 C ATOM 8 CD2 TYR A 1 50.431 5.031 -38.553 1.00 0.00 C ATOM 9 CE1 TYR A 1 53.102 4.892 -39.229 1.00 0.00 C ATOM 10 CE2 TYR A 1 51.358 4.613 -37.617 1.00 0.00 C ATOM 11 CZ TYR A 1 52.691 4.547 -37.959 1.00 0.00 C ATOM 12 OH TYR A 1 53.617 4.132 -37.030 1.00 0.00 O ATOM 0 H1 TYR A 1 51.480 5.715 -42.894 1.00 0.00 H new ATOM 0 H2 TYR A 1 50.471 4.965 -44.034 1.00 0.00 H new ATOM 0 H3 TYR A 1 50.070 6.498 -43.425 1.00 0.00 H new ATOM 0 HA TYR A 1 50.157 3.962 -41.875 1.00 0.00 H new ATOM 0 HB2 TYR A 1 50.047 6.855 -41.176 1.00 0.00 H new ATOM 0 HB3 TYR A 1 48.820 5.883 -40.389 1.00 0.00 H new ATOM 0 HD1 TYR A 1 52.494 5.578 -41.154 1.00 0.00 H new ATOM 0 HD2 TYR A 1 49.387 5.084 -38.280 1.00 0.00 H new ATOM 0 HE1 TYR A 1 54.147 4.837 -39.495 1.00 0.00 H new ATOM 0 HE2 TYR A 1 51.039 4.339 -36.622 1.00 0.00 H new ATOM 0 HH TYR A 1 53.164 3.928 -36.185 1.00 0.00 H new ATOM 24 N GLY A 2 47.792 3.490 -42.316 1.00 0.00 N ATOM 25 CA GLY A 2 46.419 3.171 -42.663 1.00 0.00 C ATOM 26 C GLY A 2 45.510 3.142 -41.450 1.00 0.00 C ATOM 27 O GLY A 2 44.595 3.958 -41.333 1.00 0.00 O ATOM 0 H GLY A 2 48.331 2.711 -41.938 1.00 0.00 H new ATOM 0 HA2 GLY A 2 46.047 3.907 -43.376 1.00 0.00 H new ATOM 0 HA3 GLY A 2 46.388 2.202 -43.160 1.00 0.00 H new ATOM 31 N HIS A 3 45.763 2.203 -40.546 1.00 0.00 N ATOM 32 CA HIS A 3 44.962 2.072 -39.335 1.00 0.00 C ATOM 33 C HIS A 3 45.545 2.914 -38.204 1.00 0.00 C ATOM 34 O HIS A 3 46.706 3.321 -38.258 1.00 0.00 O ATOM 35 CB HIS A 3 44.887 0.605 -38.904 1.00 0.00 C ATOM 36 CG HIS A 3 43.735 -0.138 -39.504 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.511 -0.211 -40.862 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.741 -0.848 -38.922 1.00 0.00 C ATOM 39 CE1 HIS A 3 42.429 -0.933 -41.089 1.00 0.00 C ATOM 40 NE2 HIS A 3 41.943 -1.333 -39.929 1.00 0.00 N ATOM 0 H HIS A 3 46.517 1.521 -40.629 1.00 0.00 H new ATOM 0 HA HIS A 3 43.957 2.433 -39.554 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.815 0.105 -39.182 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.813 0.558 -37.818 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.601 -1.004 -37.863 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.012 -1.158 -42.060 1.00 0.00 H new ATOM 0 HE2 HIS A 3 41.111 -1.908 -39.801 1.00 0.00 H new ATOM 49 N CYS A 4 44.736 3.168 -37.182 1.00 0.00 N ATOM 50 CA CYS A 4 45.177 3.960 -36.037 1.00 0.00 C ATOM 51 C CYS A 4 45.319 3.081 -34.797 1.00 0.00 C ATOM 52 O CYS A 4 44.376 2.402 -34.397 1.00 0.00 O ATOM 53 CB CYS A 4 44.193 5.101 -35.766 1.00 0.00 C ATOM 54 SG CYS A 4 42.513 4.799 -36.409 1.00 0.00 S ATOM 0 H CYS A 4 43.773 2.838 -37.122 1.00 0.00 H new ATOM 0 HA CYS A 4 46.152 4.387 -36.272 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.135 5.269 -34.691 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.582 6.017 -36.211 1.00 0.00 H new ATOM 59 N VAL A 5 46.506 3.094 -34.198 1.00 0.00 N ATOM 60 CA VAL A 5 46.766 2.291 -33.009 1.00 0.00 C ATOM 61 C VAL A 5 47.186 3.163 -31.831 1.00 0.00 C ATOM 62 O VAL A 5 47.971 4.099 -31.986 1.00 0.00 O ATOM 63 CB VAL A 5 47.863 1.242 -33.271 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.192 0.481 -31.996 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.435 0.287 -34.376 1.00 0.00 C ATOM 0 H VAL A 5 47.300 3.650 -34.515 1.00 0.00 H new ATOM 0 HA VAL A 5 45.834 1.782 -32.764 1.00 0.00 H new ATOM 0 HB VAL A 5 48.764 1.760 -33.599 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.969 -0.255 -32.202 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.545 1.179 -31.237 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.298 -0.027 -31.634 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.222 -0.447 -34.548 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.519 -0.225 -34.080 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.256 0.848 -35.293 1.00 0.00 H new ATOM 75 N THR A 6 46.658 2.847 -30.652 1.00 0.00 N ATOM 76 CA THR A 6 46.979 3.598 -29.444 1.00 0.00 C ATOM 77 C THR A 6 48.443 3.418 -29.061 1.00 0.00 C ATOM 78 O THR A 6 49.212 4.378 -29.037 1.00 0.00 O ATOM 79 CB THR A 6 46.093 3.165 -28.260 1.00 0.00 C ATOM 80 OG1 THR A 6 46.213 1.752 -28.050 1.00 0.00 O ATOM 81 CG2 THR A 6 44.637 3.522 -28.517 1.00 0.00 C ATOM 0 H THR A 6 46.006 2.076 -30.508 1.00 0.00 H new ATOM 0 HA THR A 6 46.789 4.649 -29.664 1.00 0.00 H new ATOM 0 HB THR A 6 46.429 3.695 -27.369 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.925 1.531 -27.140 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.030 3.207 -27.668 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.545 4.600 -28.649 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.292 3.015 -29.418 1.00 0.00 H new ATOM 89 N ASP A 7 48.822 2.180 -28.761 1.00 0.00 N ATOM 90 CA ASP A 7 50.195 1.874 -28.379 1.00 0.00 C ATOM 91 C ASP A 7 50.499 0.393 -28.580 1.00 0.00 C ATOM 92 O ASP A 7 51.546 0.032 -29.117 1.00 0.00 O ATOM 93 CB ASP A 7 50.439 2.262 -26.920 1.00 0.00 C ATOM 94 CG ASP A 7 49.859 3.621 -26.579 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.420 4.637 -27.040 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.844 3.668 -25.852 1.00 0.00 O ATOM 0 H ASP A 7 48.198 1.373 -28.775 1.00 0.00 H new ATOM 0 HA ASP A 7 50.861 2.453 -29.019 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.999 1.508 -26.268 1.00 0.00 H new ATOM 0 HB3 ASP A 7 51.511 2.267 -26.723 1.00 0.00 H new ATOM 101 N SER A 8 49.576 -0.455 -28.145 1.00 0.00 N ATOM 102 CA SER A 8 49.742 -1.898 -28.273 1.00 0.00 C ATOM 103 C SER A 8 48.569 -2.639 -27.638 1.00 0.00 C ATOM 104 O SER A 8 48.760 -3.516 -26.795 1.00 0.00 O ATOM 105 CB SER A 8 51.053 -2.342 -27.620 1.00 0.00 C ATOM 106 OG SER A 8 51.464 -3.607 -28.109 1.00 0.00 O ATOM 0 H SER A 8 48.704 -0.169 -27.700 1.00 0.00 H new ATOM 0 HA SER A 8 49.772 -2.142 -29.335 1.00 0.00 H new ATOM 0 HB2 SER A 8 51.829 -1.603 -27.817 1.00 0.00 H new ATOM 0 HB3 SER A 8 50.926 -2.391 -26.539 1.00 0.00 H new ATOM 0 HG SER A 8 52.304 -3.867 -27.677 1.00 0.00 H new ATOM 112 N GLY A 9 47.357 -2.283 -28.047 1.00 0.00 N ATOM 113 CA GLY A 9 46.173 -2.926 -27.506 1.00 0.00 C ATOM 114 C GLY A 9 44.948 -2.720 -28.374 1.00 0.00 C ATOM 115 O GLY A 9 44.115 -3.616 -28.506 1.00 0.00 O ATOM 0 H GLY A 9 47.172 -1.561 -28.743 1.00 0.00 H new ATOM 0 HA2 GLY A 9 46.362 -3.994 -27.398 1.00 0.00 H new ATOM 0 HA3 GLY A 9 45.976 -2.535 -26.508 1.00 0.00 H new ATOM 119 N VAL A 10 44.838 -1.536 -28.966 1.00 0.00 N ATOM 120 CA VAL A 10 43.706 -1.213 -29.825 1.00 0.00 C ATOM 121 C VAL A 10 44.166 -0.893 -31.243 1.00 0.00 C ATOM 122 O VAL A 10 45.107 -0.126 -31.443 1.00 0.00 O ATOM 123 CB VAL A 10 42.905 -0.017 -29.275 1.00 0.00 C ATOM 124 CG1 VAL A 10 41.426 -0.167 -29.599 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.117 0.121 -27.776 1.00 0.00 C ATOM 0 H VAL A 10 45.520 -0.784 -28.866 1.00 0.00 H new ATOM 0 HA VAL A 10 43.063 -2.093 -29.844 1.00 0.00 H new ATOM 0 HB VAL A 10 43.267 0.891 -29.757 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.878 0.688 -29.202 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.293 -0.213 -30.680 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.046 -1.083 -29.147 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.544 0.970 -27.404 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.783 -0.788 -27.276 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.176 0.280 -27.571 1.00 0.00 H new ATOM 135 N VAL A 11 43.494 -1.486 -32.226 1.00 0.00 N ATOM 136 CA VAL A 11 43.835 -1.264 -33.626 1.00 0.00 C ATOM 137 C VAL A 11 42.696 -0.574 -34.369 1.00 0.00 C ATOM 138 O VAL A 11 41.910 -1.222 -35.059 1.00 0.00 O ATOM 139 CB VAL A 11 44.171 -2.584 -34.342 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.879 -2.309 -35.660 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.019 -3.477 -33.449 1.00 0.00 C ATOM 0 H VAL A 11 42.711 -2.123 -32.078 1.00 0.00 H new ATOM 0 HA VAL A 11 44.715 -0.621 -33.635 1.00 0.00 H new ATOM 0 HB VAL A 11 43.239 -3.107 -34.557 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.109 -3.253 -36.153 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.232 -1.712 -36.303 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.804 -1.764 -35.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 45.246 -4.405 -33.973 1.00 0.00 H new ATOM 0 HG22 VAL A 11 45.948 -2.965 -33.199 1.00 0.00 H new ATOM 0 HG23 VAL A 11 44.471 -3.702 -32.534 1.00 0.00 H new ATOM 151 N TYR A 12 42.619 0.743 -34.224 1.00 0.00 N ATOM 152 CA TYR A 12 41.581 1.526 -34.884 1.00 0.00 C ATOM 153 C TYR A 12 41.828 1.589 -36.389 1.00 0.00 C ATOM 154 O TYR A 12 42.687 0.883 -36.918 1.00 0.00 O ATOM 155 CB TYR A 12 41.537 2.943 -34.306 1.00 0.00 C ATOM 156 CG TYR A 12 41.095 3.005 -32.864 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.754 2.905 -32.522 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.024 3.165 -31.844 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.348 2.963 -31.203 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.628 3.223 -30.521 1.00 0.00 C ATOM 161 CZ TYR A 12 40.289 3.121 -30.206 1.00 0.00 C ATOM 162 OH TYR A 12 39.890 3.178 -28.890 1.00 0.00 O ATOM 0 H TYR A 12 43.263 1.292 -33.655 1.00 0.00 H new ATOM 0 HA TYR A 12 40.622 1.038 -34.707 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.528 3.390 -34.391 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.861 3.549 -34.909 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.015 2.780 -33.300 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.073 3.245 -32.089 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.300 2.885 -30.953 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.362 3.347 -29.739 1.00 0.00 H new ATOM 0 HH TYR A 12 39.378 4.000 -28.739 1.00 0.00 H new ATOM 172 N SER A 13 41.072 2.442 -37.072 1.00 0.00 N ATOM 173 CA SER A 13 41.209 2.604 -38.515 1.00 0.00 C ATOM 174 C SER A 13 41.079 4.073 -38.906 1.00 0.00 C ATOM 175 O SER A 13 40.413 4.851 -38.223 1.00 0.00 O ATOM 176 CB SER A 13 40.153 1.777 -39.246 1.00 0.00 C ATOM 177 OG SER A 13 40.755 0.781 -40.054 1.00 0.00 O ATOM 0 H SER A 13 40.357 3.033 -36.648 1.00 0.00 H new ATOM 0 HA SER A 13 42.199 2.251 -38.804 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.488 1.308 -38.521 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.539 2.431 -39.866 1.00 0.00 H new ATOM 0 HG SER A 13 40.556 -0.105 -39.684 1.00 0.00 H new ATOM 183 N VAL A 14 41.726 4.447 -40.003 1.00 0.00 N ATOM 184 CA VAL A 14 41.690 5.824 -40.482 1.00 0.00 C ATOM 185 C VAL A 14 40.267 6.373 -40.502 1.00 0.00 C ATOM 186 O VAL A 14 39.583 6.320 -41.524 1.00 0.00 O ATOM 187 CB VAL A 14 42.291 5.941 -41.895 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.724 4.866 -42.809 1.00 0.00 C ATOM 189 CG2 VAL A 14 42.038 7.328 -42.470 1.00 0.00 C ATOM 0 H VAL A 14 42.283 3.815 -40.579 1.00 0.00 H new ATOM 0 HA VAL A 14 42.289 6.412 -39.786 1.00 0.00 H new ATOM 0 HB VAL A 14 43.369 5.793 -41.824 1.00 0.00 H new ATOM 0 HG11 VAL A 14 42.161 4.966 -43.803 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.962 3.882 -42.405 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.642 4.979 -42.876 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.470 7.392 -43.469 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.964 7.508 -42.526 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.498 8.078 -41.827 1.00 0.00 H new ATOM 199 N GLY A 15 39.831 6.913 -39.368 1.00 0.00 N ATOM 200 CA GLY A 15 38.497 7.479 -39.277 1.00 0.00 C ATOM 201 C GLY A 15 37.533 6.611 -38.493 1.00 0.00 C ATOM 202 O GLY A 15 36.387 6.425 -38.900 1.00 0.00 O ATOM 0 H GLY A 15 40.379 6.969 -38.509 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.557 8.461 -38.807 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.104 7.631 -40.282 1.00 0.00 H new ATOM 206 N MET A 16 37.990 6.085 -37.363 1.00 0.00 N ATOM 207 CA MET A 16 37.149 5.241 -36.522 1.00 0.00 C ATOM 208 C MET A 16 36.532 6.054 -35.389 1.00 0.00 C ATOM 209 O MET A 16 35.421 5.771 -34.939 1.00 0.00 O ATOM 210 CB MET A 16 37.959 4.078 -35.951 1.00 0.00 C ATOM 211 CG MET A 16 37.247 2.738 -36.044 1.00 0.00 C ATOM 212 SD MET A 16 36.903 2.021 -34.425 1.00 0.00 S ATOM 213 CE MET A 16 37.740 0.444 -34.569 1.00 0.00 C ATOM 0 H MET A 16 38.936 6.227 -37.008 1.00 0.00 H new ATOM 0 HA MET A 16 36.346 4.840 -37.140 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.909 4.013 -36.481 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.190 4.285 -34.906 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.311 2.865 -36.587 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.859 2.045 -36.622 1.00 0.00 H new ATOM 0 HE1 MET A 16 37.008 -0.340 -34.762 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.453 0.485 -35.392 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.269 0.227 -33.641 1.00 0.00 H new ATOM 223 N GLN A 17 37.260 7.069 -34.936 1.00 0.00 N ATOM 224 CA GLN A 17 36.786 7.931 -33.859 1.00 0.00 C ATOM 225 C GLN A 17 36.375 7.115 -32.639 1.00 0.00 C ATOM 226 O GLN A 17 35.401 6.363 -32.681 1.00 0.00 O ATOM 227 CB GLN A 17 35.604 8.776 -34.340 1.00 0.00 C ATOM 228 CG GLN A 17 36.017 10.089 -34.984 1.00 0.00 C ATOM 229 CD GLN A 17 34.844 11.023 -35.205 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.644 11.537 -36.306 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.061 11.249 -34.157 1.00 0.00 N ATOM 0 H GLN A 17 38.181 7.315 -35.298 1.00 0.00 H new ATOM 0 HA GLN A 17 37.606 8.588 -33.570 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.022 8.197 -35.057 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.950 8.986 -33.494 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.756 10.583 -34.353 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.500 9.885 -35.940 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.264 10.802 -33.263 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.257 11.870 -34.246 1.00 0.00 H new ATOM 240 N TRP A 18 37.119 7.274 -31.550 1.00 0.00 N ATOM 241 CA TRP A 18 36.827 6.557 -30.314 1.00 0.00 C ATOM 242 C TRP A 18 36.967 7.482 -29.108 1.00 0.00 C ATOM 243 O TRP A 18 37.156 8.689 -29.258 1.00 0.00 O ATOM 244 CB TRP A 18 37.748 5.344 -30.164 1.00 0.00 C ATOM 245 CG TRP A 18 39.176 5.704 -29.897 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.766 5.863 -28.676 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.198 5.944 -30.872 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.091 6.186 -28.833 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.381 6.242 -30.170 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.228 5.933 -32.269 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.580 6.530 -30.822 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.415 6.219 -32.911 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.576 6.512 -32.189 1.00 0.00 C ATOM 0 H TRP A 18 37.928 7.893 -31.498 1.00 0.00 H new ATOM 0 HA TRP A 18 35.796 6.205 -30.361 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.382 4.719 -29.350 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.697 4.745 -31.073 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.264 5.751 -27.726 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.753 6.357 -28.076 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.338 5.705 -32.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.478 6.759 -30.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.448 6.217 -33.990 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.489 6.729 -32.723 1.00 0.00 H new ATOM 264 N LEU A 19 36.865 6.912 -27.914 1.00 0.00 N ATOM 265 CA LEU A 19 36.970 7.695 -26.689 1.00 0.00 C ATOM 266 C LEU A 19 37.740 6.938 -25.614 1.00 0.00 C ATOM 267 O LEU A 19 37.496 5.755 -25.376 1.00 0.00 O ATOM 268 CB LEU A 19 35.575 8.054 -26.174 1.00 0.00 C ATOM 269 CG LEU A 19 35.549 8.874 -24.884 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.313 10.344 -25.194 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.477 8.347 -23.942 1.00 0.00 C ATOM 0 H LEU A 19 36.710 5.914 -27.768 1.00 0.00 H new ATOM 0 HA LEU A 19 37.517 8.609 -26.920 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.051 8.611 -26.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.017 7.132 -26.011 1.00 0.00 H new ATOM 0 HG LEU A 19 36.517 8.778 -24.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.297 10.914 -24.265 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.114 10.714 -25.833 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.358 10.459 -25.706 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.471 8.941 -23.028 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.502 8.415 -24.425 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.688 7.306 -23.696 1.00 0.00 H new ATOM 283 N LYS A 20 38.669 7.631 -24.967 1.00 0.00 N ATOM 284 CA LYS A 20 39.477 7.030 -23.912 1.00 0.00 C ATOM 285 C LYS A 20 39.344 7.822 -22.615 1.00 0.00 C ATOM 286 O LYS A 20 38.582 8.787 -22.542 1.00 0.00 O ATOM 287 CB LYS A 20 40.945 6.964 -24.338 1.00 0.00 C ATOM 288 CG LYS A 20 41.691 8.275 -24.154 1.00 0.00 C ATOM 289 CD LYS A 20 43.195 8.082 -24.272 1.00 0.00 C ATOM 290 CE LYS A 20 43.927 8.667 -23.076 1.00 0.00 C ATOM 291 NZ LYS A 20 45.382 8.360 -23.110 1.00 0.00 N ATOM 0 H LYS A 20 38.882 8.611 -25.154 1.00 0.00 H new ATOM 0 HA LYS A 20 39.114 6.017 -23.739 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.447 6.186 -23.763 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.998 6.670 -25.386 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.356 8.994 -24.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.453 8.696 -23.177 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.421 7.019 -24.354 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.553 8.555 -25.186 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.785 9.747 -23.057 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.494 8.272 -22.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.844 8.777 -22.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.520 7.329 -23.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.801 8.759 -23.974 1.00 0.00 H new ATOM 305 N THR A 21 40.086 7.408 -21.593 1.00 0.00 N ATOM 306 CA THR A 21 40.044 8.083 -20.302 1.00 0.00 C ATOM 307 C THR A 21 41.281 7.767 -19.469 1.00 0.00 C ATOM 308 O THR A 21 42.132 6.975 -19.875 1.00 0.00 O ATOM 309 CB THR A 21 38.793 7.684 -19.500 1.00 0.00 C ATOM 310 OG1 THR A 21 38.837 8.278 -18.197 1.00 0.00 O ATOM 311 CG2 THR A 21 38.696 6.170 -19.369 1.00 0.00 C ATOM 0 H THR A 21 40.721 6.611 -21.634 1.00 0.00 H new ATOM 0 HA THR A 21 40.013 9.152 -20.511 1.00 0.00 H new ATOM 0 HB THR A 21 37.914 8.045 -20.034 1.00 0.00 H new ATOM 0 HG1 THR A 21 37.952 8.630 -17.968 1.00 0.00 H new ATOM 0 HG21 THR A 21 37.804 5.911 -18.798 1.00 0.00 H new ATOM 0 HG22 THR A 21 38.635 5.722 -20.361 1.00 0.00 H new ATOM 0 HG23 THR A 21 39.579 5.792 -18.854 1.00 0.00 H new ATOM 319 N GLN A 22 41.367 8.392 -18.300 1.00 0.00 N ATOM 320 CA GLN A 22 42.494 8.182 -17.400 1.00 0.00 C ATOM 321 C GLN A 22 42.026 7.574 -16.083 1.00 0.00 C ATOM 322 O GLN A 22 42.826 7.037 -15.316 1.00 0.00 O ATOM 323 CB GLN A 22 43.219 9.502 -17.134 1.00 0.00 C ATOM 324 CG GLN A 22 44.051 9.986 -18.310 1.00 0.00 C ATOM 325 CD GLN A 22 45.284 9.135 -18.538 1.00 0.00 C ATOM 326 OE1 GLN A 22 46.007 8.840 -17.464 1.00 0.00 O flip ATOM 327 NE2 GLN A 22 45.583 8.745 -19.668 1.00 0.00 N flip ATOM 0 H GLN A 22 40.668 9.049 -17.953 1.00 0.00 H new ATOM 0 HA GLN A 22 43.185 7.489 -17.879 1.00 0.00 H new ATOM 0 HB2 GLN A 22 42.484 10.266 -16.881 1.00 0.00 H new ATOM 0 HB3 GLN A 22 43.867 9.383 -16.266 1.00 0.00 H new ATOM 0 HG2 GLN A 22 43.438 9.980 -19.211 1.00 0.00 H new ATOM 0 HG3 GLN A 22 44.353 11.019 -18.136 1.00 0.00 H new ATOM 0 HE21 GLN A 22 44.998 8.996 -20.465 1.00 0.00 H new ATOM 0 HE22 GLN A 22 46.415 8.171 -19.806 1.00 0.00 H new ATOM 336 N GLY A 23 40.726 7.664 -15.826 1.00 0.00 N ATOM 337 CA GLY A 23 40.174 7.121 -14.600 1.00 0.00 C ATOM 338 C GLY A 23 39.403 8.154 -13.801 1.00 0.00 C ATOM 339 O GLY A 23 38.728 7.817 -12.828 1.00 0.00 O ATOM 0 H GLY A 23 40.045 8.103 -16.445 1.00 0.00 H new ATOM 0 HA2 GLY A 23 39.515 6.287 -14.841 1.00 0.00 H new ATOM 0 HA3 GLY A 23 40.982 6.722 -13.987 1.00 0.00 H new ATOM 343 N ASN A 24 39.502 9.415 -14.211 1.00 0.00 N ATOM 344 CA ASN A 24 38.809 10.498 -13.522 1.00 0.00 C ATOM 345 C ASN A 24 38.160 11.458 -14.516 1.00 0.00 C ATOM 346 O ASN A 24 37.627 12.499 -14.129 1.00 0.00 O ATOM 347 CB ASN A 24 39.780 11.259 -12.619 1.00 0.00 C ATOM 348 CG ASN A 24 40.187 10.455 -11.400 1.00 0.00 C ATOM 349 OD1 ASN A 24 41.184 9.733 -11.423 1.00 0.00 O ATOM 350 ND2 ASN A 24 39.416 10.575 -10.326 1.00 0.00 N ATOM 0 H ASN A 24 40.054 9.712 -15.016 1.00 0.00 H new ATOM 0 HA ASN A 24 38.022 10.057 -12.910 1.00 0.00 H new ATOM 0 HB2 ASN A 24 40.670 11.524 -13.189 1.00 0.00 H new ATOM 0 HB3 ASN A 24 39.317 12.192 -12.297 1.00 0.00 H new ATOM 0 HD21 ASN A 24 39.641 10.057 -9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 24 38.599 11.185 -10.350 1.00 0.00 H new ATOM 357 N LYS A 25 38.204 11.102 -15.796 1.00 0.00 N ATOM 358 CA LYS A 25 37.617 11.934 -16.839 1.00 0.00 C ATOM 359 C LYS A 25 37.289 11.104 -18.075 1.00 0.00 C ATOM 360 O LYS A 25 37.161 9.883 -17.997 1.00 0.00 O ATOM 361 CB LYS A 25 38.569 13.073 -17.213 1.00 0.00 C ATOM 362 CG LYS A 25 39.703 12.645 -18.128 1.00 0.00 C ATOM 363 CD LYS A 25 41.059 13.001 -17.539 1.00 0.00 C ATOM 364 CE LYS A 25 41.259 14.506 -17.468 1.00 0.00 C ATOM 365 NZ LYS A 25 42.666 14.866 -17.139 1.00 0.00 N ATOM 0 H LYS A 25 38.639 10.244 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 25 36.691 12.359 -16.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 38.000 13.865 -17.700 1.00 0.00 H new ATOM 0 HB3 LYS A 25 38.990 13.497 -16.301 1.00 0.00 H new ATOM 0 HG2 LYS A 25 39.650 11.569 -18.297 1.00 0.00 H new ATOM 0 HG3 LYS A 25 39.589 13.126 -19.099 1.00 0.00 H new ATOM 0 HD2 LYS A 25 41.146 12.574 -16.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.848 12.556 -18.145 1.00 0.00 H new ATOM 0 HE2 LYS A 25 40.984 14.954 -18.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 40.592 14.925 -16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 42.760 15.901 -17.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 42.921 14.461 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 43.301 14.488 -17.871 1.00 0.00 H new ATOM 379 N GLN A 26 37.152 11.774 -19.213 1.00 0.00 N ATOM 380 CA GLN A 26 36.839 11.096 -20.465 1.00 0.00 C ATOM 381 C GLN A 26 37.381 11.876 -21.656 1.00 0.00 C ATOM 382 O GLN A 26 36.824 12.902 -22.046 1.00 0.00 O ATOM 383 CB GLN A 26 35.327 10.911 -20.607 1.00 0.00 C ATOM 384 CG GLN A 26 34.715 10.044 -19.519 1.00 0.00 C ATOM 385 CD GLN A 26 33.200 10.073 -19.534 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.589 11.113 -19.781 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.583 8.926 -19.270 1.00 0.00 N ATOM 0 H GLN A 26 37.253 12.786 -19.295 1.00 0.00 H new ATOM 0 HA GLN A 26 37.317 10.117 -20.447 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.847 11.889 -20.593 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.114 10.465 -21.578 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.056 9.016 -19.644 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.072 10.383 -18.546 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.129 8.088 -19.071 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.564 8.884 -19.267 1.00 0.00 H new ATOM 396 N MET A 27 38.472 11.382 -22.231 1.00 0.00 N ATOM 397 CA MET A 27 39.091 12.031 -23.380 1.00 0.00 C ATOM 398 C MET A 27 38.730 11.306 -24.671 1.00 0.00 C ATOM 399 O MET A 27 38.942 10.100 -24.797 1.00 0.00 O ATOM 400 CB MET A 27 40.611 12.070 -23.211 1.00 0.00 C ATOM 401 CG MET A 27 41.161 13.465 -22.968 1.00 0.00 C ATOM 402 SD MET A 27 42.431 13.931 -24.160 1.00 0.00 S ATOM 403 CE MET A 27 43.639 14.700 -23.085 1.00 0.00 C ATOM 0 H MET A 27 38.946 10.534 -21.920 1.00 0.00 H new ATOM 0 HA MET A 27 38.713 13.052 -23.439 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.892 11.427 -22.376 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.078 11.655 -24.104 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.345 14.186 -23.013 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.577 13.517 -21.962 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.560 15.784 -23.166 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.453 14.399 -22.054 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.640 14.386 -23.379 1.00 0.00 H new ATOM 413 N LEU A 28 38.187 12.049 -25.630 1.00 0.00 N ATOM 414 CA LEU A 28 37.802 11.475 -26.913 1.00 0.00 C ATOM 415 C LEU A 28 38.995 11.432 -27.858 1.00 0.00 C ATOM 416 O LEU A 28 39.546 12.472 -28.221 1.00 0.00 O ATOM 417 CB LEU A 28 36.666 12.282 -27.541 1.00 0.00 C ATOM 418 CG LEU A 28 36.037 11.650 -28.782 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.683 11.046 -28.445 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.901 12.681 -29.893 1.00 0.00 C ATOM 0 H LEU A 28 38.004 13.049 -25.543 1.00 0.00 H new ATOM 0 HA LEU A 28 37.455 10.456 -26.741 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.888 12.430 -26.792 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.045 13.269 -27.806 1.00 0.00 H new ATOM 0 HG LEU A 28 36.691 10.851 -29.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.250 10.601 -29.341 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.807 10.278 -27.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.020 11.826 -28.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.451 12.214 -30.769 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.268 13.501 -29.553 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.886 13.068 -30.153 1.00 0.00 H new ATOM 432 N CYS A 29 39.395 10.228 -28.249 1.00 0.00 N ATOM 433 CA CYS A 29 40.531 10.056 -29.146 1.00 0.00 C ATOM 434 C CYS A 29 40.070 9.703 -30.555 1.00 0.00 C ATOM 435 O CYS A 29 39.164 8.889 -30.738 1.00 0.00 O ATOM 436 CB CYS A 29 41.463 8.968 -28.610 1.00 0.00 C ATOM 437 SG CYS A 29 42.723 9.572 -27.440 1.00 0.00 S ATOM 0 H CYS A 29 38.950 9.357 -27.959 1.00 0.00 H new ATOM 0 HA CYS A 29 41.072 11.001 -29.193 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.864 8.202 -28.117 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.964 8.488 -29.451 1.00 0.00 H new ATOM 442 N THR A 30 40.701 10.318 -31.551 1.00 0.00 N ATOM 443 CA THR A 30 40.357 10.068 -32.947 1.00 0.00 C ATOM 444 C THR A 30 41.602 10.034 -33.823 1.00 0.00 C ATOM 445 O THR A 30 42.616 10.651 -33.502 1.00 0.00 O ATOM 446 CB THR A 30 39.399 11.140 -33.497 1.00 0.00 C ATOM 447 OG1 THR A 30 38.162 11.114 -32.775 1.00 0.00 O ATOM 448 CG2 THR A 30 39.134 10.914 -34.980 1.00 0.00 C ATOM 0 H THR A 30 41.454 10.993 -31.417 1.00 0.00 H new ATOM 0 HA THR A 30 39.862 9.097 -32.975 1.00 0.00 H new ATOM 0 HB THR A 30 39.868 12.116 -33.370 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.696 11.968 -32.894 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.455 11.682 -35.349 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.074 10.966 -35.530 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.684 9.932 -35.124 1.00 0.00 H new ATOM 456 N CYS A 31 41.514 9.317 -34.939 1.00 0.00 N ATOM 457 CA CYS A 31 42.631 9.215 -35.867 1.00 0.00 C ATOM 458 C CYS A 31 42.269 9.847 -37.205 1.00 0.00 C ATOM 459 O CYS A 31 41.509 9.280 -37.990 1.00 0.00 O ATOM 460 CB CYS A 31 43.034 7.753 -36.060 1.00 0.00 C ATOM 461 SG CYS A 31 41.653 6.636 -36.442 1.00 0.00 S ATOM 0 H CYS A 31 40.681 8.799 -35.221 1.00 0.00 H new ATOM 0 HA CYS A 31 43.480 9.755 -35.447 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.766 7.694 -36.866 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.528 7.403 -35.154 1.00 0.00 H new ATOM 466 N LEU A 32 42.811 11.035 -37.449 1.00 0.00 N ATOM 467 CA LEU A 32 42.539 11.763 -38.684 1.00 0.00 C ATOM 468 C LEU A 32 43.378 11.224 -39.842 1.00 0.00 C ATOM 469 O LEU A 32 43.028 10.212 -40.449 1.00 0.00 O ATOM 470 CB LEU A 32 42.802 13.260 -38.489 1.00 0.00 C ATOM 471 CG LEU A 32 43.860 13.604 -37.439 1.00 0.00 C ATOM 472 CD1 LEU A 32 44.696 14.790 -37.887 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.203 13.889 -36.095 1.00 0.00 C ATOM 0 H LEU A 32 43.442 11.515 -36.807 1.00 0.00 H new ATOM 0 HA LEU A 32 41.488 11.618 -38.934 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.109 13.686 -39.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.866 13.744 -38.210 1.00 0.00 H new ATOM 0 HG LEU A 32 44.522 12.745 -37.325 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.442 15.018 -37.126 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.196 14.549 -38.825 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.050 15.656 -38.033 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.970 14.132 -35.359 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.518 14.731 -36.196 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.651 13.009 -35.766 1.00 0.00 H new ATOM 485 N GLY A 33 44.481 11.902 -40.154 1.00 0.00 N ATOM 486 CA GLY A 33 45.331 11.462 -41.245 1.00 0.00 C ATOM 487 C GLY A 33 46.806 11.562 -40.918 1.00 0.00 C ATOM 488 O GLY A 33 47.573 10.642 -41.200 1.00 0.00 O ATOM 0 H GLY A 33 44.799 12.743 -39.673 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.088 10.429 -41.495 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.118 12.062 -42.130 1.00 0.00 H new ATOM 492 N ASN A 34 47.206 12.679 -40.323 1.00 0.00 N ATOM 493 CA ASN A 34 48.601 12.886 -39.961 1.00 0.00 C ATOM 494 C ASN A 34 48.947 12.102 -38.702 1.00 0.00 C ATOM 495 O ASN A 34 50.116 11.838 -38.423 1.00 0.00 O ATOM 496 CB ASN A 34 48.891 14.376 -39.754 1.00 0.00 C ATOM 497 CG ASN A 34 48.303 14.913 -38.466 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.342 15.682 -38.483 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.885 14.517 -37.341 1.00 0.00 N ATOM 0 H ASN A 34 46.586 13.452 -40.082 1.00 0.00 H new ATOM 0 HA ASN A 34 49.223 12.524 -40.780 1.00 0.00 H new ATOM 0 HB2 ASN A 34 49.969 14.535 -39.750 1.00 0.00 H new ATOM 0 HB3 ASN A 34 48.489 14.940 -40.595 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.538 14.851 -36.442 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.679 13.878 -37.375 1.00 0.00 H new ATOM 506 N GLY A 35 47.919 11.726 -37.948 1.00 0.00 N ATOM 507 CA GLY A 35 48.134 10.969 -36.730 1.00 0.00 C ATOM 508 C GLY A 35 46.844 10.698 -35.979 1.00 0.00 C ATOM 509 O GLY A 35 45.807 10.432 -36.586 1.00 0.00 O ATOM 0 H GLY A 35 46.943 11.932 -38.159 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.614 10.021 -36.975 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.820 11.516 -36.083 1.00 0.00 H new ATOM 513 N VAL A 36 46.913 10.769 -34.654 1.00 0.00 N ATOM 514 CA VAL A 36 45.747 10.533 -33.811 1.00 0.00 C ATOM 515 C VAL A 36 45.605 11.643 -32.773 1.00 0.00 C ATOM 516 O VAL A 36 46.476 11.827 -31.923 1.00 0.00 O ATOM 517 CB VAL A 36 45.834 9.167 -33.095 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.851 9.095 -31.936 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.588 8.034 -34.078 1.00 0.00 C ATOM 0 H VAL A 36 47.766 10.989 -34.140 1.00 0.00 H new ATOM 0 HA VAL A 36 44.871 10.527 -34.460 1.00 0.00 H new ATOM 0 HB VAL A 36 46.840 9.060 -32.689 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.933 8.123 -31.449 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.079 9.881 -31.216 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.836 9.229 -32.311 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.653 7.079 -33.556 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.596 8.141 -34.516 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.339 8.068 -34.868 1.00 0.00 H new ATOM 529 N SER A 37 44.504 12.385 -32.852 1.00 0.00 N ATOM 530 CA SER A 37 44.256 13.481 -31.923 1.00 0.00 C ATOM 531 C SER A 37 43.026 13.207 -31.064 1.00 0.00 C ATOM 532 O SER A 37 42.080 12.553 -31.504 1.00 0.00 O ATOM 533 CB SER A 37 44.073 14.793 -32.689 1.00 0.00 C ATOM 534 OG SER A 37 44.276 15.911 -31.842 1.00 0.00 O ATOM 0 H SER A 37 43.772 12.247 -33.548 1.00 0.00 H new ATOM 0 HA SER A 37 45.121 13.566 -31.265 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.775 14.832 -33.522 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.070 14.832 -33.114 1.00 0.00 H new ATOM 0 HG SER A 37 44.155 16.737 -32.356 1.00 0.00 H new ATOM 540 N CYS A 38 43.049 13.716 -29.839 1.00 0.00 N ATOM 541 CA CYS A 38 41.939 13.535 -28.912 1.00 0.00 C ATOM 542 C CYS A 38 41.519 14.872 -28.312 1.00 0.00 C ATOM 543 O CYS A 38 42.321 15.802 -28.224 1.00 0.00 O ATOM 544 CB CYS A 38 42.330 12.559 -27.800 1.00 0.00 C ATOM 545 SG CYS A 38 43.462 11.237 -28.338 1.00 0.00 S ATOM 0 H CYS A 38 43.826 14.259 -29.463 1.00 0.00 H new ATOM 0 HA CYS A 38 41.095 13.121 -29.463 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.799 13.117 -26.989 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.426 12.106 -27.394 1.00 0.00 H new ATOM 550 N GLN A 39 40.259 14.965 -27.903 1.00 0.00 N ATOM 551 CA GLN A 39 39.740 16.193 -27.315 1.00 0.00 C ATOM 552 C GLN A 39 38.906 15.894 -26.075 1.00 0.00 C ATOM 553 O GLN A 39 37.892 15.201 -26.148 1.00 0.00 O ATOM 554 CB GLN A 39 38.895 16.957 -28.337 1.00 0.00 C ATOM 555 CG GLN A 39 37.963 16.070 -29.144 1.00 0.00 C ATOM 556 CD GLN A 39 36.648 16.750 -29.466 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.621 16.470 -28.846 1.00 0.00 O ATOM 558 NE2 GLN A 39 36.671 17.652 -30.442 1.00 0.00 N ATOM 0 H GLN A 39 39.580 14.207 -27.968 1.00 0.00 H new ATOM 0 HA GLN A 39 40.589 16.810 -27.021 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.304 17.711 -27.816 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.559 17.488 -29.020 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.456 15.781 -30.072 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.767 15.153 -28.588 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.544 17.854 -30.930 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.816 18.143 -30.703 1.00 0.00 H new ATOM 567 N GLU A 40 39.344 16.422 -24.937 1.00 0.00 N ATOM 568 CA GLU A 40 38.638 16.213 -23.681 1.00 0.00 C ATOM 569 C GLU A 40 37.133 16.349 -23.873 1.00 0.00 C ATOM 570 O GLU A 40 36.607 17.456 -23.975 1.00 0.00 O ATOM 571 CB GLU A 40 39.122 17.208 -22.625 1.00 0.00 C ATOM 572 CG GLU A 40 39.632 16.541 -21.360 1.00 0.00 C ATOM 573 CD GLU A 40 40.928 17.148 -20.860 1.00 0.00 C ATOM 574 OE1 GLU A 40 41.996 16.795 -21.402 1.00 0.00 O ATOM 575 OE2 GLU A 40 40.875 17.978 -19.928 1.00 0.00 O ATOM 0 H GLU A 40 40.183 16.997 -24.860 1.00 0.00 H new ATOM 0 HA GLU A 40 38.852 15.200 -23.339 1.00 0.00 H new ATOM 0 HB2 GLU A 40 39.917 17.820 -23.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 38.304 17.881 -22.368 1.00 0.00 H new ATOM 0 HG2 GLU A 40 38.874 16.621 -20.581 1.00 0.00 H new ATOM 0 HG3 GLU A 40 39.783 15.478 -21.550 1.00 0.00 H new ATOM 582 N THR A 41 36.447 15.213 -23.920 1.00 0.00 N ATOM 583 CA THR A 41 35.001 15.202 -24.096 1.00 0.00 C ATOM 584 C THR A 41 34.319 15.970 -22.970 1.00 0.00 C ATOM 585 O THR A 41 33.341 16.685 -23.187 1.00 0.00 O ATOM 586 CB THR A 41 34.453 13.758 -24.150 1.00 0.00 C ATOM 587 OG1 THR A 41 33.301 13.704 -25.000 1.00 0.00 O ATOM 588 CG2 THR A 41 34.087 13.241 -22.763 1.00 0.00 C ATOM 0 H THR A 41 36.869 14.288 -23.839 1.00 0.00 H new ATOM 0 HA THR A 41 34.781 15.689 -25.046 1.00 0.00 H new ATOM 0 HB THR A 41 35.241 13.121 -24.551 1.00 0.00 H new ATOM 0 HG1 THR A 41 32.494 13.613 -24.452 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.706 12.223 -22.843 1.00 0.00 H new ATOM 0 HG22 THR A 41 34.972 13.248 -22.127 1.00 0.00 H new ATOM 0 HG23 THR A 41 33.321 13.882 -22.326 1.00 0.00 H new ATOM 596 N ALA A 42 34.850 15.807 -21.766 1.00 0.00 N ATOM 597 CA ALA A 42 34.304 16.474 -20.591 1.00 0.00 C ATOM 598 C ALA A 42 32.782 16.409 -20.582 1.00 0.00 C ATOM 599 O ALA A 42 32.182 15.607 -21.298 1.00 0.00 O ATOM 600 CB ALA A 42 34.775 17.920 -20.540 1.00 0.00 C ATOM 0 H ALA A 42 35.660 15.217 -21.577 1.00 0.00 H new ATOM 0 HA ALA A 42 34.668 15.954 -19.705 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.360 18.407 -19.658 1.00 0.00 H new ATOM 0 HB2 ALA A 42 35.864 17.947 -20.491 1.00 0.00 H new ATOM 0 HB3 ALA A 42 34.439 18.444 -21.435 1.00 0.00 H new ATOM 606 N VAL A 43 32.161 17.259 -19.770 1.00 0.00 N ATOM 607 CA VAL A 43 30.708 17.297 -19.673 1.00 0.00 C ATOM 608 C VAL A 43 30.241 18.605 -19.044 1.00 0.00 C ATOM 609 O VAL A 43 31.048 19.428 -18.612 1.00 0.00 O ATOM 610 CB VAL A 43 30.172 16.068 -18.880 1.00 0.00 C ATOM 611 CG1 VAL A 43 29.067 16.417 -17.881 1.00 0.00 C ATOM 612 CG2 VAL A 43 29.688 15.000 -19.845 1.00 0.00 C ATOM 0 H VAL A 43 32.642 17.930 -19.171 1.00 0.00 H new ATOM 0 HA VAL A 43 30.298 17.246 -20.682 1.00 0.00 H new ATOM 0 HB VAL A 43 31.008 15.692 -18.290 1.00 0.00 H new ATOM 0 HG11 VAL A 43 28.743 15.513 -17.366 1.00 0.00 H new ATOM 0 HG12 VAL A 43 29.448 17.133 -17.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 28.222 16.855 -18.412 1.00 0.00 H new ATOM 0 HG21 VAL A 43 29.315 14.144 -19.283 1.00 0.00 H new ATOM 0 HG22 VAL A 43 28.887 15.405 -20.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 30.514 14.684 -20.482 1.00 0.00 H new ATOM 622 N THR A 44 28.932 18.779 -19.004 1.00 0.00 N ATOM 623 CA THR A 44 28.329 19.979 -18.434 1.00 0.00 C ATOM 624 C THR A 44 26.875 19.731 -18.047 1.00 0.00 C ATOM 625 O THR A 44 26.258 18.764 -18.494 1.00 0.00 O ATOM 626 CB THR A 44 28.391 21.164 -19.417 1.00 0.00 C ATOM 627 OG1 THR A 44 27.173 21.917 -19.357 1.00 0.00 O ATOM 628 CG2 THR A 44 28.621 20.677 -20.841 1.00 0.00 C ATOM 0 H THR A 44 28.259 18.101 -19.361 1.00 0.00 H new ATOM 0 HA THR A 44 28.904 20.228 -17.542 1.00 0.00 H new ATOM 0 HB THR A 44 29.227 21.801 -19.128 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.255 22.618 -18.678 1.00 0.00 H new ATOM 0 HG21 THR A 44 28.661 21.532 -21.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.563 20.131 -20.891 1.00 0.00 H new ATOM 0 HG23 THR A 44 27.804 20.019 -21.137 1.00 0.00 H new ATOM 636 N GLN A 45 26.332 20.611 -17.210 1.00 0.00 N ATOM 637 CA GLN A 45 24.950 20.488 -16.760 1.00 0.00 C ATOM 638 C GLN A 45 23.977 20.807 -17.891 1.00 0.00 C ATOM 639 O GLN A 45 24.381 20.988 -19.041 1.00 0.00 O ATOM 640 CB GLN A 45 24.692 21.419 -15.574 1.00 0.00 C ATOM 641 CG GLN A 45 25.792 21.393 -14.527 1.00 0.00 C ATOM 642 CD GLN A 45 25.341 21.957 -13.194 1.00 0.00 C ATOM 643 OE1 GLN A 45 25.386 21.275 -12.170 1.00 0.00 O ATOM 644 NE2 GLN A 45 24.902 23.211 -13.200 1.00 0.00 N ATOM 0 H GLN A 45 26.829 21.417 -16.830 1.00 0.00 H new ATOM 0 HA GLN A 45 24.789 19.457 -16.446 1.00 0.00 H new ATOM 0 HB2 GLN A 45 24.577 22.438 -15.942 1.00 0.00 H new ATOM 0 HB3 GLN A 45 23.749 21.141 -15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 45 26.131 20.367 -14.387 1.00 0.00 H new ATOM 0 HG3 GLN A 45 26.647 21.965 -14.889 1.00 0.00 H new ATOM 0 HE21 GLN A 45 24.882 23.740 -14.072 1.00 0.00 H new ATOM 0 HE22 GLN A 45 24.585 23.645 -12.333 1.00 0.00 H new ATOM 653 N THR A 46 22.692 20.876 -17.556 1.00 0.00 N ATOM 654 CA THR A 46 21.661 21.176 -18.542 1.00 0.00 C ATOM 655 C THR A 46 20.558 22.038 -17.938 1.00 0.00 C ATOM 656 O THR A 46 20.346 22.034 -16.725 1.00 0.00 O ATOM 657 CB THR A 46 21.039 19.888 -19.115 1.00 0.00 C ATOM 658 OG1 THR A 46 20.716 18.983 -18.052 1.00 0.00 O ATOM 659 CG2 THR A 46 21.993 19.215 -20.090 1.00 0.00 C ATOM 0 H THR A 46 22.341 20.728 -16.610 1.00 0.00 H new ATOM 0 HA THR A 46 22.145 21.725 -19.350 1.00 0.00 H new ATOM 0 HB THR A 46 20.128 20.157 -19.650 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.509 18.101 -18.425 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.533 18.308 -20.482 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.212 19.895 -20.913 1.00 0.00 H new ATOM 0 HG23 THR A 46 22.919 18.959 -19.575 1.00 0.00 H new ATOM 667 N TYR A 47 19.859 22.781 -18.790 1.00 0.00 N ATOM 668 CA TYR A 47 18.782 23.652 -18.337 1.00 0.00 C ATOM 669 C TYR A 47 17.732 23.844 -19.427 1.00 0.00 C ATOM 670 O TYR A 47 18.052 23.874 -20.616 1.00 0.00 O ATOM 671 CB TYR A 47 19.344 25.010 -17.914 1.00 0.00 C ATOM 672 CG TYR A 47 20.002 25.769 -19.044 1.00 0.00 C ATOM 673 CD1 TYR A 47 19.241 26.364 -20.042 1.00 0.00 C ATOM 674 CD2 TYR A 47 21.384 25.890 -19.113 1.00 0.00 C ATOM 675 CE1 TYR A 47 19.837 27.060 -21.076 1.00 0.00 C ATOM 676 CE2 TYR A 47 21.989 26.584 -20.144 1.00 0.00 C ATOM 677 CZ TYR A 47 21.211 27.166 -21.122 1.00 0.00 C ATOM 678 OH TYR A 47 21.809 27.858 -22.151 1.00 0.00 O ATOM 0 H TYR A 47 20.019 22.797 -19.797 1.00 0.00 H new ATOM 0 HA TYR A 47 18.304 23.176 -17.481 1.00 0.00 H new ATOM 0 HB2 TYR A 47 18.537 25.616 -17.502 1.00 0.00 H new ATOM 0 HB3 TYR A 47 20.071 24.861 -17.115 1.00 0.00 H new ATOM 0 HD1 TYR A 47 18.165 26.281 -20.009 1.00 0.00 H new ATOM 0 HD2 TYR A 47 21.996 25.434 -18.349 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.231 27.518 -21.843 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.065 26.670 -20.183 1.00 0.00 H new ATOM 0 HH TYR A 47 22.782 27.840 -22.036 1.00 0.00 H new ATOM 688 N GLY A 48 16.475 23.977 -19.012 1.00 0.00 N ATOM 689 CA GLY A 48 15.394 24.170 -19.959 1.00 0.00 C ATOM 690 C GLY A 48 15.526 23.293 -21.187 1.00 0.00 C ATOM 691 O GLY A 48 15.811 22.099 -21.079 1.00 0.00 O ATOM 0 H GLY A 48 16.187 23.954 -18.034 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.444 23.959 -19.467 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.368 25.216 -20.266 1.00 0.00 H new ATOM 695 N GLY A 49 15.316 23.884 -22.358 1.00 0.00 N ATOM 696 CA GLY A 49 15.413 23.136 -23.596 1.00 0.00 C ATOM 697 C GLY A 49 14.128 22.404 -23.929 1.00 0.00 C ATOM 698 O GLY A 49 13.080 23.025 -24.097 1.00 0.00 O ATOM 0 H GLY A 49 15.080 24.870 -22.471 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.662 23.816 -24.410 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.229 22.417 -23.520 1.00 0.00 H new ATOM 702 N ASN A 50 14.210 21.081 -24.021 1.00 0.00 N ATOM 703 CA ASN A 50 13.044 20.265 -24.334 1.00 0.00 C ATOM 704 C ASN A 50 12.735 19.302 -23.192 1.00 0.00 C ATOM 705 O ASN A 50 11.657 18.711 -23.138 1.00 0.00 O ATOM 706 CB ASN A 50 13.273 19.484 -25.629 1.00 0.00 C ATOM 707 CG ASN A 50 12.142 19.663 -26.621 1.00 0.00 C ATOM 708 OD1 ASN A 50 11.222 18.846 -26.684 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.202 20.735 -27.402 1.00 0.00 N ATOM 0 H ASN A 50 15.071 20.552 -23.883 1.00 0.00 H new ATOM 0 HA ASN A 50 12.190 20.930 -24.467 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.208 19.810 -26.086 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.384 18.425 -25.396 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.467 20.908 -28.088 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.983 21.386 -27.316 1.00 0.00 H new ATOM 716 N SER A 51 13.691 19.149 -22.280 1.00 0.00 N ATOM 717 CA SER A 51 13.522 18.257 -21.139 1.00 0.00 C ATOM 718 C SER A 51 13.817 18.982 -19.829 1.00 0.00 C ATOM 719 O SER A 51 14.123 18.353 -18.816 1.00 0.00 O ATOM 720 CB SER A 51 14.437 17.038 -21.278 1.00 0.00 C ATOM 721 OG SER A 51 13.783 15.858 -20.845 1.00 0.00 O ATOM 0 H SER A 51 14.589 19.631 -22.309 1.00 0.00 H new ATOM 0 HA SER A 51 12.484 17.925 -21.122 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.744 16.927 -22.318 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.343 17.191 -20.692 1.00 0.00 H new ATOM 0 HG SER A 51 13.451 15.364 -21.623 1.00 0.00 H new ATOM 727 N ASN A 52 13.720 20.307 -19.857 1.00 0.00 N ATOM 728 CA ASN A 52 13.972 21.118 -18.672 1.00 0.00 C ATOM 729 C ASN A 52 15.279 20.711 -17.996 1.00 0.00 C ATOM 730 O ASN A 52 15.340 20.574 -16.775 1.00 0.00 O ATOM 731 CB ASN A 52 12.811 20.985 -17.685 1.00 0.00 C ATOM 732 CG ASN A 52 12.972 21.887 -16.477 1.00 0.00 C ATOM 733 OD1 ASN A 52 13.488 21.328 -15.387 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 12.639 23.070 -16.522 1.00 0.00 N flip ATOM 0 H ASN A 52 13.468 20.842 -20.688 1.00 0.00 H new ATOM 0 HA ASN A 52 14.059 22.158 -18.987 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.877 21.226 -18.193 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.736 19.949 -17.354 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.247 23.457 -17.380 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.755 23.664 -15.701 1.00 0.00 H new ATOM 741 N GLY A 53 16.321 20.524 -18.800 1.00 0.00 N ATOM 742 CA GLY A 53 17.612 20.137 -18.261 1.00 0.00 C ATOM 743 C GLY A 53 17.601 18.749 -17.653 1.00 0.00 C ATOM 744 O GLY A 53 17.347 18.588 -16.460 1.00 0.00 O ATOM 0 H GLY A 53 16.295 20.633 -19.814 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.358 20.175 -19.054 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.915 20.859 -17.503 1.00 0.00 H new ATOM 748 N GLU A 54 17.880 17.742 -18.476 1.00 0.00 N ATOM 749 CA GLU A 54 17.902 16.360 -18.011 1.00 0.00 C ATOM 750 C GLU A 54 19.247 15.704 -18.309 1.00 0.00 C ATOM 751 O GLU A 54 20.066 16.250 -19.046 1.00 0.00 O ATOM 752 CB GLU A 54 16.775 15.564 -18.665 1.00 0.00 C ATOM 753 CG GLU A 54 15.404 15.899 -18.106 1.00 0.00 C ATOM 754 CD GLU A 54 14.724 14.703 -17.469 1.00 0.00 C ATOM 755 OE1 GLU A 54 15.033 14.399 -16.297 1.00 0.00 O ATOM 756 OE2 GLU A 54 13.883 14.071 -18.141 1.00 0.00 O ATOM 0 H GLU A 54 18.094 17.858 -19.467 1.00 0.00 H new ATOM 0 HA GLU A 54 17.755 16.364 -16.931 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.779 15.755 -19.738 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.965 14.499 -18.530 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.502 16.693 -17.366 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.774 16.286 -18.907 1.00 0.00 H new ATOM 763 N PRO A 55 19.487 14.517 -17.734 1.00 0.00 N ATOM 764 CA PRO A 55 20.737 13.776 -17.933 1.00 0.00 C ATOM 765 C PRO A 55 20.987 13.448 -19.401 1.00 0.00 C ATOM 766 O PRO A 55 20.258 12.661 -20.004 1.00 0.00 O ATOM 767 CB PRO A 55 20.530 12.489 -17.126 1.00 0.00 C ATOM 768 CG PRO A 55 19.448 12.810 -16.153 1.00 0.00 C ATOM 769 CD PRO A 55 18.558 13.805 -16.843 1.00 0.00 C ATOM 0 HA PRO A 55 21.605 14.355 -17.616 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.245 11.660 -17.773 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.446 12.193 -16.614 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.892 11.914 -15.877 1.00 0.00 H new ATOM 0 HG3 PRO A 55 19.860 13.226 -15.233 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.760 13.314 -17.400 1.00 0.00 H new ATOM 0 HD3 PRO A 55 18.082 14.481 -16.133 1.00 0.00 H new ATOM 777 N CYS A 56 22.023 14.057 -19.970 1.00 0.00 N ATOM 778 CA CYS A 56 22.368 13.828 -21.368 1.00 0.00 C ATOM 779 C CYS A 56 22.525 12.339 -21.653 1.00 0.00 C ATOM 780 O CYS A 56 22.502 11.515 -20.739 1.00 0.00 O ATOM 781 CB CYS A 56 23.658 14.570 -21.723 1.00 0.00 C ATOM 782 SG CYS A 56 23.675 16.318 -21.208 1.00 0.00 S ATOM 0 H CYS A 56 22.637 14.712 -19.485 1.00 0.00 H new ATOM 0 HA CYS A 56 21.556 14.211 -21.986 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.500 14.057 -21.258 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.810 14.518 -22.801 1.00 0.00 H new ATOM 787 N VAL A 57 22.679 11.999 -22.928 1.00 0.00 N ATOM 788 CA VAL A 57 22.832 10.608 -23.333 1.00 0.00 C ATOM 789 C VAL A 57 23.850 10.470 -24.462 1.00 0.00 C ATOM 790 O VAL A 57 23.515 10.049 -25.569 1.00 0.00 O ATOM 791 CB VAL A 57 21.488 10.014 -23.791 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.065 10.615 -25.121 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.575 8.498 -23.882 1.00 0.00 C ATOM 0 H VAL A 57 22.701 12.668 -23.698 1.00 0.00 H new ATOM 0 HA VAL A 57 23.189 10.059 -22.462 1.00 0.00 H new ATOM 0 HB VAL A 57 20.729 10.264 -23.049 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.113 10.183 -25.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.956 11.694 -25.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.822 10.399 -25.875 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.615 8.097 -24.207 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.346 8.220 -24.600 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.826 8.089 -22.904 1.00 0.00 H new ATOM 803 N LEU A 58 25.095 10.821 -24.171 1.00 0.00 N ATOM 804 CA LEU A 58 26.164 10.732 -25.158 1.00 0.00 C ATOM 805 C LEU A 58 27.087 9.557 -24.852 1.00 0.00 C ATOM 806 O LEU A 58 27.114 9.055 -23.729 1.00 0.00 O ATOM 807 CB LEU A 58 26.967 12.036 -25.200 1.00 0.00 C ATOM 808 CG LEU A 58 27.205 12.706 -23.844 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.932 13.374 -23.345 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.716 11.693 -22.830 1.00 0.00 C ATOM 0 H LEU A 58 25.390 11.170 -23.259 1.00 0.00 H new ATOM 0 HA LEU A 58 25.709 10.569 -26.135 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.934 11.832 -25.660 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.448 12.742 -25.848 1.00 0.00 H new ATOM 0 HG LEU A 58 27.966 13.476 -23.970 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.122 13.844 -22.380 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.614 14.131 -24.061 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.147 12.626 -23.235 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.879 12.187 -21.872 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.980 10.898 -22.707 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.655 11.267 -23.183 1.00 0.00 H new ATOM 822 N PRO A 59 27.853 9.099 -25.854 1.00 0.00 N ATOM 823 CA PRO A 59 27.836 9.682 -27.199 1.00 0.00 C ATOM 824 C PRO A 59 26.606 9.272 -28.000 1.00 0.00 C ATOM 825 O PRO A 59 26.272 8.090 -28.083 1.00 0.00 O ATOM 826 CB PRO A 59 29.101 9.113 -27.837 1.00 0.00 C ATOM 827 CG PRO A 59 29.308 7.805 -27.157 1.00 0.00 C ATOM 828 CD PRO A 59 28.802 7.977 -25.749 1.00 0.00 C ATOM 0 HA PRO A 59 27.801 10.771 -27.172 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.980 8.986 -28.913 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.953 9.776 -27.688 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.767 7.010 -27.670 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.362 7.527 -27.160 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.314 7.073 -25.385 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.613 8.202 -25.057 1.00 0.00 H new ATOM 836 N PHE A 60 25.940 10.255 -28.595 1.00 0.00 N ATOM 837 CA PHE A 60 24.751 9.998 -29.398 1.00 0.00 C ATOM 838 C PHE A 60 25.015 10.320 -30.864 1.00 0.00 C ATOM 839 O PHE A 60 26.145 10.618 -31.251 1.00 0.00 O ATOM 840 CB PHE A 60 23.571 10.828 -28.889 1.00 0.00 C ATOM 841 CG PHE A 60 23.924 12.261 -28.611 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.933 13.195 -29.633 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.247 12.671 -27.328 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.258 14.514 -29.382 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.573 13.990 -27.071 1.00 0.00 C ATOM 846 CZ PHE A 60 24.577 14.912 -28.099 1.00 0.00 C ATOM 0 H PHE A 60 26.204 11.239 -28.536 1.00 0.00 H new ATOM 0 HA PHE A 60 24.504 8.940 -29.309 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.769 10.796 -29.627 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.184 10.374 -27.977 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.683 12.889 -30.638 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.244 11.954 -26.521 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.263 15.233 -30.188 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.824 14.299 -26.067 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.829 15.943 -27.900 1.00 0.00 H new ATOM 856 N THR A 61 23.968 10.263 -31.678 1.00 0.00 N ATOM 857 CA THR A 61 24.091 10.550 -33.100 1.00 0.00 C ATOM 858 C THR A 61 23.157 11.680 -33.512 1.00 0.00 C ATOM 859 O THR A 61 21.952 11.626 -33.260 1.00 0.00 O ATOM 860 CB THR A 61 23.780 9.307 -33.953 1.00 0.00 C ATOM 861 OG1 THR A 61 24.002 8.117 -33.186 1.00 0.00 O ATOM 862 CG2 THR A 61 24.647 9.282 -35.201 1.00 0.00 C ATOM 0 H THR A 61 23.024 10.020 -31.377 1.00 0.00 H new ATOM 0 HA THR A 61 25.124 10.851 -33.274 1.00 0.00 H new ATOM 0 HB THR A 61 22.734 9.351 -34.256 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.800 7.331 -33.736 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.411 8.396 -35.790 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.454 10.175 -35.796 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.698 9.258 -34.913 1.00 0.00 H new ATOM 870 N TYR A 62 23.716 12.704 -34.148 1.00 0.00 N ATOM 871 CA TYR A 62 22.927 13.844 -34.595 1.00 0.00 C ATOM 872 C TYR A 62 23.433 14.369 -35.933 1.00 0.00 C ATOM 873 O TYR A 62 24.628 14.611 -36.106 1.00 0.00 O ATOM 874 CB TYR A 62 22.963 14.963 -33.553 1.00 0.00 C ATOM 875 CG TYR A 62 22.203 16.200 -33.975 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.826 16.167 -34.147 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.865 17.400 -34.209 1.00 0.00 C ATOM 878 CE1 TYR A 62 20.128 17.294 -34.536 1.00 0.00 C ATOM 879 CE2 TYR A 62 22.174 18.531 -34.599 1.00 0.00 C ATOM 880 CZ TYR A 62 20.806 18.473 -34.762 1.00 0.00 C ATOM 881 OH TYR A 62 20.115 19.597 -35.150 1.00 0.00 O ATOM 0 H TYR A 62 24.711 12.767 -34.365 1.00 0.00 H new ATOM 0 HA TYR A 62 21.898 13.507 -34.721 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.547 14.591 -32.617 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.001 15.233 -33.356 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.291 15.245 -33.974 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.937 17.449 -34.084 1.00 0.00 H new ATOM 0 HE1 TYR A 62 19.056 17.252 -34.662 1.00 0.00 H new ATOM 0 HE2 TYR A 62 22.703 19.456 -34.775 1.00 0.00 H new ATOM 0 HH TYR A 62 19.209 19.568 -34.779 1.00 0.00 H new ATOM 891 N ASN A 63 22.515 14.542 -36.878 1.00 0.00 N ATOM 892 CA ASN A 63 22.865 15.039 -38.202 1.00 0.00 C ATOM 893 C ASN A 63 23.674 14.003 -38.979 1.00 0.00 C ATOM 894 O ASN A 63 24.149 14.276 -40.082 1.00 0.00 O ATOM 895 CB ASN A 63 23.657 16.343 -38.088 1.00 0.00 C ATOM 896 CG ASN A 63 23.387 17.286 -39.242 1.00 0.00 C ATOM 897 OD1 ASN A 63 22.898 18.479 -38.930 1.00 0.00 O flip ATOM 898 ND2 ASN A 63 23.615 16.945 -40.404 1.00 0.00 N flip ATOM 0 H ASN A 63 21.522 14.345 -36.751 1.00 0.00 H new ATOM 0 HA ASN A 63 21.940 15.231 -38.746 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.403 16.838 -37.151 1.00 0.00 H new ATOM 0 HB3 ASN A 63 24.722 16.116 -38.050 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.991 16.017 -40.599 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.427 17.591 -41.171 1.00 0.00 H new ATOM 905 N GLY A 64 23.820 12.815 -38.402 1.00 0.00 N ATOM 906 CA GLY A 64 24.566 11.759 -39.062 1.00 0.00 C ATOM 907 C GLY A 64 25.890 11.457 -38.385 1.00 0.00 C ATOM 908 O GLY A 64 26.487 10.407 -38.621 1.00 0.00 O ATOM 0 H GLY A 64 23.436 12.565 -37.491 1.00 0.00 H new ATOM 0 HA2 GLY A 64 23.960 10.853 -39.084 1.00 0.00 H new ATOM 0 HA3 GLY A 64 24.750 12.044 -40.098 1.00 0.00 H new ATOM 912 N ARG A 65 26.353 12.376 -37.543 1.00 0.00 N ATOM 913 CA ARG A 65 27.618 12.189 -36.836 1.00 0.00 C ATOM 914 C ARG A 65 27.379 11.752 -35.397 1.00 0.00 C ATOM 915 O ARG A 65 26.309 11.244 -35.060 1.00 0.00 O ATOM 916 CB ARG A 65 28.442 13.479 -36.857 1.00 0.00 C ATOM 917 CG ARG A 65 27.912 14.557 -35.926 1.00 0.00 C ATOM 918 CD ARG A 65 28.366 15.940 -36.363 1.00 0.00 C ATOM 919 NE ARG A 65 27.344 16.627 -37.147 1.00 0.00 N ATOM 920 CZ ARG A 65 27.538 17.795 -37.751 1.00 0.00 C ATOM 921 NH1 ARG A 65 28.713 18.404 -37.664 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.557 18.356 -38.443 1.00 0.00 N ATOM 0 H ARG A 65 25.876 13.253 -37.334 1.00 0.00 H new ATOM 0 HA ARG A 65 28.174 11.404 -37.349 1.00 0.00 H new ATOM 0 HB2 ARG A 65 29.471 13.247 -36.582 1.00 0.00 H new ATOM 0 HB3 ARG A 65 28.464 13.869 -37.875 1.00 0.00 H new ATOM 0 HG2 ARG A 65 26.823 14.519 -35.906 1.00 0.00 H new ATOM 0 HG3 ARG A 65 28.256 14.364 -34.910 1.00 0.00 H new ATOM 0 HD2 ARG A 65 28.611 16.536 -35.484 1.00 0.00 H new ATOM 0 HD3 ARG A 65 29.278 15.853 -36.953 1.00 0.00 H new ATOM 0 HE ARG A 65 26.429 16.186 -37.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 29.471 17.976 -37.132 1.00 0.00 H new ATOM 0 HH12 ARG A 65 28.859 19.300 -38.129 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.652 17.891 -38.513 1.00 0.00 H new ATOM 0 HH22 ARG A 65 26.707 19.252 -38.906 1.00 0.00 H new ATOM 936 N THR A 66 28.386 11.949 -34.552 1.00 0.00 N ATOM 937 CA THR A 66 28.290 11.573 -33.147 1.00 0.00 C ATOM 938 C THR A 66 28.861 12.664 -32.247 1.00 0.00 C ATOM 939 O THR A 66 29.700 13.459 -32.672 1.00 0.00 O ATOM 940 CB THR A 66 29.036 10.256 -32.867 1.00 0.00 C ATOM 941 OG1 THR A 66 28.968 9.399 -34.014 1.00 0.00 O ATOM 942 CG2 THR A 66 28.440 9.546 -31.662 1.00 0.00 C ATOM 0 H THR A 66 29.278 12.367 -34.816 1.00 0.00 H new ATOM 0 HA THR A 66 27.231 11.438 -32.927 1.00 0.00 H new ATOM 0 HB THR A 66 30.078 10.492 -32.653 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.447 8.564 -33.828 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.982 8.618 -31.482 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.519 10.189 -30.785 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.391 9.322 -31.854 1.00 0.00 H new ATOM 950 N PHE A 67 28.402 12.694 -31.001 1.00 0.00 N ATOM 951 CA PHE A 67 28.869 13.685 -30.039 1.00 0.00 C ATOM 952 C PHE A 67 28.940 13.088 -28.636 1.00 0.00 C ATOM 953 O PHE A 67 27.932 12.635 -28.095 1.00 0.00 O ATOM 954 CB PHE A 67 27.946 14.905 -30.039 1.00 0.00 C ATOM 955 CG PHE A 67 27.561 15.374 -31.415 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.730 14.606 -32.215 1.00 0.00 C ATOM 957 CD2 PHE A 67 28.027 16.584 -31.903 1.00 0.00 C ATOM 958 CE1 PHE A 67 26.370 15.038 -33.478 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.671 17.020 -33.166 1.00 0.00 C ATOM 960 CZ PHE A 67 26.841 16.247 -33.954 1.00 0.00 C ATOM 0 H PHE A 67 27.707 12.044 -30.634 1.00 0.00 H new ATOM 0 HA PHE A 67 29.871 13.997 -30.335 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.041 14.665 -29.481 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.439 15.722 -29.511 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.360 13.660 -31.848 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.675 17.193 -31.290 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.721 14.431 -34.092 1.00 0.00 H new ATOM 0 HE2 PHE A 67 28.042 17.964 -33.536 1.00 0.00 H new ATOM 0 HZ PHE A 67 26.561 16.587 -34.940 1.00 0.00 H new ATOM 970 N TYR A 68 30.135 13.090 -28.054 1.00 0.00 N ATOM 971 CA TYR A 68 30.335 12.546 -26.715 1.00 0.00 C ATOM 972 C TYR A 68 30.046 13.598 -25.647 1.00 0.00 C ATOM 973 O TYR A 68 30.456 13.453 -24.494 1.00 0.00 O ATOM 974 CB TYR A 68 31.767 12.027 -26.565 1.00 0.00 C ATOM 975 CG TYR A 68 32.041 10.771 -27.362 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.789 10.724 -28.727 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.549 9.631 -26.749 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.035 9.578 -29.460 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.798 8.482 -27.475 1.00 0.00 C ATOM 980 CZ TYR A 68 32.539 8.460 -28.829 1.00 0.00 C ATOM 981 OH TYR A 68 32.786 7.318 -29.555 1.00 0.00 O ATOM 0 H TYR A 68 30.980 13.462 -28.488 1.00 0.00 H new ATOM 0 HA TYR A 68 29.638 11.719 -26.578 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.462 12.806 -26.879 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.965 11.829 -25.511 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.394 11.598 -29.224 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.752 9.644 -25.688 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.834 9.558 -30.521 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.194 7.605 -26.984 1.00 0.00 H new ATOM 0 HH TYR A 68 33.140 6.623 -28.961 1.00 0.00 H new ATOM 991 N SER A 69 29.336 14.652 -26.035 1.00 0.00 N ATOM 992 CA SER A 69 28.988 15.726 -25.111 1.00 0.00 C ATOM 993 C SER A 69 28.085 16.753 -25.786 1.00 0.00 C ATOM 994 O SER A 69 27.756 16.625 -26.966 1.00 0.00 O ATOM 995 CB SER A 69 30.254 16.409 -24.588 1.00 0.00 C ATOM 996 OG SER A 69 30.932 15.585 -23.655 1.00 0.00 O ATOM 0 H SER A 69 28.990 14.786 -26.985 1.00 0.00 H new ATOM 0 HA SER A 69 28.447 15.288 -24.272 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.917 16.640 -25.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.991 17.356 -24.117 1.00 0.00 H new ATOM 0 HG SER A 69 30.522 14.695 -23.646 1.00 0.00 H new ATOM 1002 N CYS A 70 27.687 17.772 -25.030 1.00 0.00 N ATOM 1003 CA CYS A 70 26.824 18.820 -25.553 1.00 0.00 C ATOM 1004 C CYS A 70 27.373 19.373 -26.865 1.00 0.00 C ATOM 1005 O CYS A 70 28.498 19.063 -27.256 1.00 0.00 O ATOM 1006 CB CYS A 70 26.689 19.942 -24.524 1.00 0.00 C ATOM 1007 SG CYS A 70 25.870 19.440 -22.976 1.00 0.00 S ATOM 0 H CYS A 70 27.950 17.892 -24.052 1.00 0.00 H new ATOM 0 HA CYS A 70 25.841 18.392 -25.750 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.682 20.326 -24.289 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.127 20.763 -24.970 1.00 0.00 H new ATOM 1012 N THR A 71 26.573 20.191 -27.541 1.00 0.00 N ATOM 1013 CA THR A 71 26.985 20.782 -28.809 1.00 0.00 C ATOM 1014 C THR A 71 25.981 21.826 -29.287 1.00 0.00 C ATOM 1015 O THR A 71 24.865 21.908 -28.777 1.00 0.00 O ATOM 1016 CB THR A 71 27.148 19.710 -29.902 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.643 20.309 -31.106 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.820 19.022 -30.181 1.00 0.00 C ATOM 0 H THR A 71 25.638 20.459 -27.233 1.00 0.00 H new ATOM 0 HA THR A 71 27.947 21.263 -28.632 1.00 0.00 H new ATOM 0 HB THR A 71 27.861 18.965 -29.549 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.746 19.620 -31.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.957 18.268 -30.956 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.459 18.545 -29.270 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.091 19.760 -30.517 1.00 0.00 H new ATOM 1026 N THR A 72 26.388 22.619 -30.273 1.00 0.00 N ATOM 1027 CA THR A 72 25.527 23.657 -30.825 1.00 0.00 C ATOM 1028 C THR A 72 25.396 23.510 -32.337 1.00 0.00 C ATOM 1029 O THR A 72 25.075 24.468 -33.040 1.00 0.00 O ATOM 1030 CB THR A 72 26.065 25.063 -30.503 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.465 25.133 -30.802 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.838 25.401 -29.037 1.00 0.00 C ATOM 0 H THR A 72 27.310 22.562 -30.706 1.00 0.00 H new ATOM 0 HA THR A 72 24.547 23.537 -30.362 1.00 0.00 H new ATOM 0 HB THR A 72 25.527 25.786 -31.117 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.799 26.031 -30.596 1.00 0.00 H new ATOM 0 HG21 THR A 72 26.225 26.399 -28.829 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.771 25.373 -28.818 1.00 0.00 H new ATOM 0 HG23 THR A 72 26.356 24.674 -28.412 1.00 0.00 H new ATOM 1040 N GLU A 73 25.648 22.301 -32.830 1.00 0.00 N ATOM 1041 CA GLU A 73 25.561 22.023 -34.258 1.00 0.00 C ATOM 1042 C GLU A 73 24.120 22.121 -34.752 1.00 0.00 C ATOM 1043 O GLU A 73 23.859 22.046 -35.952 1.00 0.00 O ATOM 1044 CB GLU A 73 26.124 20.633 -34.562 1.00 0.00 C ATOM 1045 CG GLU A 73 27.566 20.655 -35.040 1.00 0.00 C ATOM 1046 CD GLU A 73 27.686 20.948 -36.522 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.650 21.249 -37.152 1.00 0.00 O ATOM 1048 OE2 GLU A 73 28.813 20.876 -37.053 1.00 0.00 O ATOM 0 H GLU A 73 25.914 21.498 -32.260 1.00 0.00 H new ATOM 0 HA GLU A 73 26.153 22.773 -34.783 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.056 20.018 -33.665 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.505 20.157 -35.322 1.00 0.00 H new ATOM 0 HG2 GLU A 73 28.119 21.408 -34.479 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.030 19.693 -34.825 1.00 0.00 H new ATOM 1055 N GLY A 74 23.188 22.287 -33.818 1.00 0.00 N ATOM 1056 CA GLY A 74 21.786 22.392 -34.179 1.00 0.00 C ATOM 1057 C GLY A 74 21.302 23.829 -34.212 1.00 0.00 C ATOM 1058 O GLY A 74 20.198 24.108 -34.678 1.00 0.00 O ATOM 0 H GLY A 74 23.379 22.351 -32.818 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.631 21.937 -35.157 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.187 21.826 -33.466 1.00 0.00 H new ATOM 1062 N ARG A 75 22.130 24.743 -33.717 1.00 0.00 N ATOM 1063 CA ARG A 75 21.778 26.158 -33.694 1.00 0.00 C ATOM 1064 C ARG A 75 22.898 27.008 -34.284 1.00 0.00 C ATOM 1065 O ARG A 75 24.017 26.532 -34.479 1.00 0.00 O ATOM 1066 CB ARG A 75 21.485 26.615 -32.263 1.00 0.00 C ATOM 1067 CG ARG A 75 22.479 26.085 -31.239 1.00 0.00 C ATOM 1068 CD ARG A 75 21.931 24.900 -30.452 1.00 0.00 C ATOM 1069 NE ARG A 75 20.682 24.380 -31.005 1.00 0.00 N ATOM 1070 CZ ARG A 75 19.474 24.748 -30.584 1.00 0.00 C ATOM 1071 NH1 ARG A 75 19.345 25.662 -29.631 1.00 0.00 N ATOM 1072 NH2 ARG A 75 18.390 24.207 -31.124 1.00 0.00 N ATOM 0 H ARG A 75 23.048 24.530 -33.327 1.00 0.00 H new ATOM 0 HA ARG A 75 20.883 26.288 -34.302 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.489 27.705 -32.230 1.00 0.00 H new ATOM 0 HB3 ARG A 75 20.482 26.291 -31.985 1.00 0.00 H new ATOM 0 HG2 ARG A 75 23.395 25.786 -31.748 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.744 26.885 -30.548 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.676 24.104 -30.438 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.767 25.202 -29.418 1.00 0.00 H new ATOM 0 HE ARG A 75 20.739 23.695 -31.758 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.174 26.087 -29.216 1.00 0.00 H new ATOM 0 HH12 ARG A 75 18.416 25.940 -29.313 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.482 23.509 -31.862 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.464 24.489 -30.801 1.00 0.00 H new ATOM 1086 N GLN A 76 22.591 28.270 -34.562 1.00 0.00 N ATOM 1087 CA GLN A 76 23.571 29.190 -35.125 1.00 0.00 C ATOM 1088 C GLN A 76 23.833 30.347 -34.167 1.00 0.00 C ATOM 1089 O GLN A 76 24.364 31.385 -34.560 1.00 0.00 O ATOM 1090 CB GLN A 76 23.083 29.726 -36.472 1.00 0.00 C ATOM 1091 CG GLN A 76 21.977 30.760 -36.351 1.00 0.00 C ATOM 1092 CD GLN A 76 21.568 31.337 -37.692 1.00 0.00 C ATOM 1093 OE1 GLN A 76 21.649 30.664 -38.721 1.00 0.00 O ATOM 1094 NE2 GLN A 76 21.127 32.588 -37.689 1.00 0.00 N ATOM 0 H GLN A 76 21.670 28.679 -34.406 1.00 0.00 H new ATOM 0 HA GLN A 76 24.503 28.646 -35.277 1.00 0.00 H new ATOM 0 HB2 GLN A 76 23.925 30.168 -37.004 1.00 0.00 H new ATOM 0 HB3 GLN A 76 22.725 28.893 -37.077 1.00 0.00 H new ATOM 0 HG2 GLN A 76 21.109 30.304 -35.876 1.00 0.00 H new ATOM 0 HG3 GLN A 76 22.309 31.567 -35.699 1.00 0.00 H new ATOM 0 HE21 GLN A 76 21.076 33.109 -36.813 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.838 33.029 -38.562 1.00 0.00 H new ATOM 1103 N ASP A 77 23.457 30.157 -32.906 1.00 0.00 N ATOM 1104 CA ASP A 77 23.650 31.180 -31.886 1.00 0.00 C ATOM 1105 C ASP A 77 24.831 30.833 -30.991 1.00 0.00 C ATOM 1106 O ASP A 77 25.898 31.438 -31.089 1.00 0.00 O ATOM 1107 CB ASP A 77 22.382 31.335 -31.043 1.00 0.00 C ATOM 1108 CG ASP A 77 22.077 32.784 -30.719 1.00 0.00 C ATOM 1109 OD1 ASP A 77 21.692 33.530 -31.643 1.00 0.00 O ATOM 1110 OD2 ASP A 77 22.224 33.172 -29.541 1.00 0.00 O ATOM 0 H ASP A 77 23.016 29.302 -32.566 1.00 0.00 H new ATOM 0 HA ASP A 77 23.861 32.125 -32.387 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.538 30.900 -31.578 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.495 30.774 -30.115 1.00 0.00 H new ATOM 1115 N GLY A 78 24.633 29.850 -30.121 1.00 0.00 N ATOM 1116 CA GLY A 78 25.692 29.436 -29.222 1.00 0.00 C ATOM 1117 C GLY A 78 25.171 28.755 -27.972 1.00 0.00 C ATOM 1118 O GLY A 78 25.729 28.922 -26.888 1.00 0.00 O ATOM 0 H GLY A 78 23.759 29.333 -30.022 1.00 0.00 H new ATOM 0 HA2 GLY A 78 26.363 28.756 -29.747 1.00 0.00 H new ATOM 0 HA3 GLY A 78 26.281 30.308 -28.936 1.00 0.00 H new ATOM 1122 N HIS A 79 24.101 27.981 -28.122 1.00 0.00 N ATOM 1123 CA HIS A 79 23.512 27.272 -26.995 1.00 0.00 C ATOM 1124 C HIS A 79 23.840 25.785 -27.056 1.00 0.00 C ATOM 1125 O HIS A 79 23.488 25.100 -28.017 1.00 0.00 O ATOM 1126 CB HIS A 79 21.996 27.468 -26.969 1.00 0.00 C ATOM 1127 CG HIS A 79 21.547 28.760 -27.578 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.498 28.848 -28.470 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.008 30.023 -27.418 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.335 30.108 -28.833 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.238 30.841 -28.208 1.00 0.00 N ATOM 0 H HIS A 79 23.626 27.830 -29.012 1.00 0.00 H new ATOM 0 HA HIS A 79 23.938 27.685 -26.081 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.522 26.642 -27.500 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.650 27.423 -25.936 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.829 30.330 -26.787 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.590 30.476 -29.523 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.346 31.851 -28.297 1.00 0.00 H new ATOM 1140 N LEU A 80 24.513 25.292 -26.023 1.00 0.00 N ATOM 1141 CA LEU A 80 24.889 23.887 -25.954 1.00 0.00 C ATOM 1142 C LEU A 80 23.683 23.028 -25.592 1.00 0.00 C ATOM 1143 O LEU A 80 22.872 23.407 -24.748 1.00 0.00 O ATOM 1144 CB LEU A 80 26.003 23.688 -24.925 1.00 0.00 C ATOM 1145 CG LEU A 80 27.403 24.072 -25.405 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.484 25.566 -25.677 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.449 23.659 -24.379 1.00 0.00 C ATOM 0 H LEU A 80 24.810 25.847 -25.220 1.00 0.00 H new ATOM 0 HA LEU A 80 25.254 23.579 -26.934 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.766 24.275 -24.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.014 22.641 -24.622 1.00 0.00 H new ATOM 0 HG LEU A 80 27.605 23.543 -26.336 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.488 25.820 -26.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.761 25.835 -26.447 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.262 26.115 -24.762 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.440 23.940 -24.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.249 24.162 -23.433 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.408 22.580 -24.232 1.00 0.00 H new ATOM 1159 N TRP A 81 23.565 21.873 -26.238 1.00 0.00 N ATOM 1160 CA TRP A 81 22.448 20.974 -25.980 1.00 0.00 C ATOM 1161 C TRP A 81 22.860 19.515 -26.136 1.00 0.00 C ATOM 1162 O TRP A 81 23.732 19.184 -26.940 1.00 0.00 O ATOM 1163 CB TRP A 81 21.289 21.287 -26.927 1.00 0.00 C ATOM 1164 CG TRP A 81 21.633 21.087 -28.371 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.146 22.018 -29.226 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.488 19.881 -29.129 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.329 21.465 -30.470 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.932 20.154 -30.435 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.026 18.596 -28.830 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.928 19.191 -31.441 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.022 17.640 -29.829 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.470 17.942 -31.120 1.00 0.00 C ATOM 0 H TRP A 81 24.225 21.539 -26.940 1.00 0.00 H new ATOM 0 HA TRP A 81 22.128 21.129 -24.950 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.439 20.654 -26.672 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.974 22.319 -26.775 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.375 23.040 -28.963 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.700 21.951 -31.287 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.678 18.354 -27.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.274 19.421 -32.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.667 16.644 -29.609 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.454 17.173 -31.879 1.00 0.00 H new ATOM 1183 N CYS A 82 22.213 18.649 -25.365 1.00 0.00 N ATOM 1184 CA CYS A 82 22.487 17.217 -25.411 1.00 0.00 C ATOM 1185 C CYS A 82 21.183 16.432 -25.499 1.00 0.00 C ATOM 1186 O CYS A 82 20.099 17.013 -25.456 1.00 0.00 O ATOM 1187 CB CYS A 82 23.281 16.781 -24.179 1.00 0.00 C ATOM 1188 SG CYS A 82 22.513 17.243 -22.593 1.00 0.00 S ATOM 0 H CYS A 82 21.490 18.916 -24.696 1.00 0.00 H new ATOM 0 HA CYS A 82 23.084 17.010 -26.299 1.00 0.00 H new ATOM 0 HB2 CYS A 82 23.408 15.699 -24.207 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.277 17.220 -24.229 1.00 0.00 H new ATOM 1193 N SER A 83 21.287 15.114 -25.624 1.00 0.00 N ATOM 1194 CA SER A 83 20.104 14.266 -25.721 1.00 0.00 C ATOM 1195 C SER A 83 19.783 13.617 -24.380 1.00 0.00 C ATOM 1196 O SER A 83 20.674 13.128 -23.688 1.00 0.00 O ATOM 1197 CB SER A 83 20.308 13.190 -26.788 1.00 0.00 C ATOM 1198 OG SER A 83 19.259 12.238 -26.757 1.00 0.00 O ATOM 0 H SER A 83 22.174 14.611 -25.660 1.00 0.00 H new ATOM 0 HA SER A 83 19.261 14.896 -26.006 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.354 13.654 -27.773 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.263 12.690 -26.627 1.00 0.00 H new ATOM 0 HG SER A 83 19.588 11.378 -27.092 1.00 0.00 H new ATOM 1204 N THR A 84 18.505 13.620 -24.016 1.00 0.00 N ATOM 1205 CA THR A 84 18.074 13.032 -22.751 1.00 0.00 C ATOM 1206 C THR A 84 17.990 11.509 -22.844 1.00 0.00 C ATOM 1207 O THR A 84 17.855 10.827 -21.829 1.00 0.00 O ATOM 1208 CB THR A 84 16.707 13.585 -22.301 1.00 0.00 C ATOM 1209 OG1 THR A 84 15.649 12.891 -22.973 1.00 0.00 O ATOM 1210 CG2 THR A 84 16.604 15.076 -22.585 1.00 0.00 C ATOM 0 H THR A 84 17.752 14.021 -24.575 1.00 0.00 H new ATOM 0 HA THR A 84 18.826 13.306 -22.011 1.00 0.00 H new ATOM 0 HB THR A 84 16.616 13.430 -21.226 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.856 12.868 -22.398 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.631 15.442 -22.259 1.00 0.00 H new ATOM 0 HG22 THR A 84 17.390 15.604 -22.045 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.717 15.251 -23.655 1.00 0.00 H new ATOM 1218 N THR A 85 18.077 10.979 -24.062 1.00 0.00 N ATOM 1219 CA THR A 85 18.019 9.536 -24.271 1.00 0.00 C ATOM 1220 C THR A 85 18.745 9.134 -25.554 1.00 0.00 C ATOM 1221 O THR A 85 18.942 9.954 -26.449 1.00 0.00 O ATOM 1222 CB THR A 85 16.557 9.023 -24.301 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.471 7.768 -23.614 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.038 8.859 -25.726 1.00 0.00 C ATOM 0 H THR A 85 18.188 11.526 -24.916 1.00 0.00 H new ATOM 0 HA THR A 85 18.525 9.070 -23.426 1.00 0.00 H new ATOM 0 HB THR A 85 15.936 9.768 -23.803 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.545 7.447 -23.633 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.010 8.498 -25.699 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.072 9.820 -26.238 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.661 8.141 -26.260 1.00 0.00 H new ATOM 1232 N SER A 86 19.145 7.870 -25.633 1.00 0.00 N ATOM 1233 CA SER A 86 19.853 7.369 -26.804 1.00 0.00 C ATOM 1234 C SER A 86 19.075 7.665 -28.081 1.00 0.00 C ATOM 1235 O SER A 86 19.497 8.479 -28.903 1.00 0.00 O ATOM 1236 CB SER A 86 20.095 5.864 -26.677 1.00 0.00 C ATOM 1237 OG SER A 86 19.541 5.359 -25.474 1.00 0.00 O ATOM 0 H SER A 86 18.991 7.175 -24.902 1.00 0.00 H new ATOM 0 HA SER A 86 20.814 7.880 -26.860 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.653 5.348 -27.529 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.166 5.661 -26.702 1.00 0.00 H new ATOM 0 HG SER A 86 19.707 4.395 -25.417 1.00 0.00 H new ATOM 1243 N ASN A 87 17.938 6.999 -28.242 1.00 0.00 N ATOM 1244 CA ASN A 87 17.100 7.189 -29.421 1.00 0.00 C ATOM 1245 C ASN A 87 16.602 8.628 -29.518 1.00 0.00 C ATOM 1246 O ASN A 87 15.460 8.922 -29.165 1.00 0.00 O ATOM 1247 CB ASN A 87 15.910 6.231 -29.381 1.00 0.00 C ATOM 1248 CG ASN A 87 15.881 5.292 -30.571 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.922 4.956 -31.136 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.686 4.865 -30.958 1.00 0.00 N ATOM 0 H ASN A 87 17.574 6.322 -27.571 1.00 0.00 H new ATOM 0 HA ASN A 87 17.706 6.977 -30.302 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.949 5.646 -28.462 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.985 6.807 -29.354 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.604 4.232 -31.754 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.850 5.170 -30.460 1.00 0.00 H new ATOM 1257 N TYR A 88 17.459 9.520 -30.005 1.00 0.00 N ATOM 1258 CA TYR A 88 17.093 10.923 -30.155 1.00 0.00 C ATOM 1259 C TYR A 88 16.302 11.135 -31.440 1.00 0.00 C ATOM 1260 O TYR A 88 15.383 11.953 -31.489 1.00 0.00 O ATOM 1261 CB TYR A 88 18.339 11.809 -30.162 1.00 0.00 C ATOM 1262 CG TYR A 88 18.073 13.212 -30.658 1.00 0.00 C ATOM 1263 CD1 TYR A 88 18.108 13.508 -32.015 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.786 14.240 -29.770 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.863 14.787 -32.473 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.538 15.523 -30.220 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.580 15.792 -31.572 1.00 0.00 C ATOM 1268 OH TYR A 88 17.336 17.068 -32.024 1.00 0.00 O ATOM 0 H TYR A 88 18.409 9.297 -30.302 1.00 0.00 H new ATOM 0 HA TYR A 88 16.469 11.201 -29.305 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.746 11.859 -29.152 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.101 11.347 -30.790 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.331 12.724 -32.724 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.756 14.034 -28.710 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.893 15.000 -33.531 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.312 16.311 -29.517 1.00 0.00 H new ATOM 0 HH TYR A 88 17.152 17.656 -31.262 1.00 0.00 H new ATOM 1278 N GLU A 89 16.666 10.391 -32.478 1.00 0.00 N ATOM 1279 CA GLU A 89 15.991 10.494 -33.765 1.00 0.00 C ATOM 1280 C GLU A 89 14.538 10.046 -33.650 1.00 0.00 C ATOM 1281 O GLU A 89 13.716 10.334 -34.520 1.00 0.00 O ATOM 1282 CB GLU A 89 16.716 9.652 -34.817 1.00 0.00 C ATOM 1283 CG GLU A 89 17.897 10.364 -35.457 1.00 0.00 C ATOM 1284 CD GLU A 89 17.472 11.511 -36.352 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.288 11.546 -36.750 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.322 12.375 -36.655 1.00 0.00 O ATOM 0 H GLU A 89 17.425 9.710 -32.453 1.00 0.00 H new ATOM 0 HA GLU A 89 16.009 11.539 -34.075 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.066 8.729 -34.354 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.007 9.369 -35.595 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.555 10.743 -34.675 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.475 9.648 -36.041 1.00 0.00 H new ATOM 1293 N GLN A 90 14.229 9.339 -32.568 1.00 0.00 N ATOM 1294 CA GLN A 90 12.876 8.850 -32.333 1.00 0.00 C ATOM 1295 C GLN A 90 12.159 9.713 -31.301 1.00 0.00 C ATOM 1296 O GLN A 90 11.031 10.154 -31.518 1.00 0.00 O ATOM 1297 CB GLN A 90 12.914 7.391 -31.866 1.00 0.00 C ATOM 1298 CG GLN A 90 11.693 6.971 -31.062 1.00 0.00 C ATOM 1299 CD GLN A 90 10.396 7.170 -31.822 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.360 7.859 -32.841 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.321 6.567 -31.326 1.00 0.00 N ATOM 0 H GLN A 90 14.899 9.092 -31.839 1.00 0.00 H new ATOM 0 HA GLN A 90 12.324 8.908 -33.271 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.004 6.743 -32.738 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.807 7.236 -31.260 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.789 5.921 -30.784 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.658 7.544 -30.135 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.397 6.005 -30.478 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.420 6.666 -31.793 1.00 0.00 H new ATOM 1310 N ASP A 91 12.825 9.948 -30.178 1.00 0.00 N ATOM 1311 CA ASP A 91 12.257 10.758 -29.107 1.00 0.00 C ATOM 1312 C ASP A 91 12.379 12.245 -29.425 1.00 0.00 C ATOM 1313 O ASP A 91 11.533 13.046 -29.030 1.00 0.00 O ATOM 1314 CB ASP A 91 12.950 10.448 -27.779 1.00 0.00 C ATOM 1315 CG ASP A 91 12.922 8.969 -27.444 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.248 8.152 -28.331 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.574 8.627 -26.294 1.00 0.00 O ATOM 0 H ASP A 91 13.760 9.589 -29.985 1.00 0.00 H new ATOM 0 HA ASP A 91 11.199 10.510 -29.021 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.985 10.788 -27.824 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.465 11.008 -26.980 1.00 0.00 H new ATOM 1322 N GLN A 92 13.440 12.606 -30.141 1.00 0.00 N ATOM 1323 CA GLN A 92 13.672 13.996 -30.513 1.00 0.00 C ATOM 1324 C GLN A 92 13.539 14.911 -29.301 1.00 0.00 C ATOM 1325 O GLN A 92 12.857 15.935 -29.353 1.00 0.00 O ATOM 1326 CB GLN A 92 12.689 14.427 -31.602 1.00 0.00 C ATOM 1327 CG GLN A 92 12.969 13.798 -32.958 1.00 0.00 C ATOM 1328 CD GLN A 92 13.600 14.773 -33.933 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.032 15.077 -34.981 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.784 15.269 -33.590 1.00 0.00 N ATOM 0 H GLN A 92 14.151 11.955 -30.474 1.00 0.00 H new ATOM 0 HA GLN A 92 14.688 14.078 -30.899 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.678 14.165 -31.291 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.721 15.512 -31.700 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.630 12.941 -32.828 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.037 13.421 -33.379 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.219 14.989 -32.711 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.258 15.930 -34.206 1.00 0.00 H new ATOM 1339 N LYS A 93 14.207 14.542 -28.214 1.00 0.00 N ATOM 1340 CA LYS A 93 14.176 15.334 -26.991 1.00 0.00 C ATOM 1341 C LYS A 93 15.594 15.607 -26.504 1.00 0.00 C ATOM 1342 O LYS A 93 16.350 14.687 -26.191 1.00 0.00 O ATOM 1343 CB LYS A 93 13.353 14.631 -25.905 1.00 0.00 C ATOM 1344 CG LYS A 93 14.156 13.683 -25.029 1.00 0.00 C ATOM 1345 CD LYS A 93 14.594 12.451 -25.804 1.00 0.00 C ATOM 1346 CE LYS A 93 16.083 12.197 -25.647 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.821 12.416 -26.922 1.00 0.00 N ATOM 0 H LYS A 93 14.777 13.698 -28.155 1.00 0.00 H new ATOM 0 HA LYS A 93 13.695 16.287 -27.210 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.888 15.386 -25.272 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.547 14.073 -26.381 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.033 14.200 -24.638 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.555 13.381 -24.171 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.036 11.582 -25.454 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.355 12.579 -26.860 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.485 12.856 -24.877 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.243 11.174 -25.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.836 12.249 -26.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.467 11.758 -27.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.676 13.394 -27.243 1.00 0.00 H new ATOM 1361 N TYR A 94 15.955 16.882 -26.468 1.00 0.00 N ATOM 1362 CA TYR A 94 17.289 17.285 -26.045 1.00 0.00 C ATOM 1363 C TYR A 94 17.235 18.241 -24.860 1.00 0.00 C ATOM 1364 O TYR A 94 16.165 18.706 -24.466 1.00 0.00 O ATOM 1365 CB TYR A 94 18.023 17.946 -27.211 1.00 0.00 C ATOM 1366 CG TYR A 94 17.495 19.320 -27.561 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.710 20.406 -26.718 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.783 19.533 -28.734 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.229 21.662 -27.038 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.298 20.785 -29.059 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.524 21.846 -28.208 1.00 0.00 C ATOM 1372 OH TYR A 94 16.045 23.096 -28.529 1.00 0.00 O ATOM 0 H TYR A 94 15.343 17.656 -26.727 1.00 0.00 H new ATOM 0 HA TYR A 94 17.827 16.391 -25.730 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.082 18.025 -26.964 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.947 17.303 -28.088 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.261 20.266 -25.800 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.605 18.705 -29.404 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.405 22.495 -26.374 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.745 20.932 -29.975 1.00 0.00 H new ATOM 0 HH TYR A 94 16.576 23.778 -28.067 1.00 0.00 H new ATOM 1382 N SER A 95 18.405 18.535 -24.304 1.00 0.00 N ATOM 1383 CA SER A 95 18.513 19.442 -23.170 1.00 0.00 C ATOM 1384 C SER A 95 19.726 20.351 -23.333 1.00 0.00 C ATOM 1385 O SER A 95 20.816 19.892 -23.674 1.00 0.00 O ATOM 1386 CB SER A 95 18.622 18.656 -21.863 1.00 0.00 C ATOM 1387 OG SER A 95 18.519 17.262 -22.096 1.00 0.00 O ATOM 0 H SER A 95 19.296 18.155 -24.623 1.00 0.00 H new ATOM 0 HA SER A 95 17.613 20.056 -23.135 1.00 0.00 H new ATOM 0 HB2 SER A 95 19.574 18.878 -21.380 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.835 18.972 -21.178 1.00 0.00 H new ATOM 0 HG SER A 95 18.901 16.774 -21.337 1.00 0.00 H new ATOM 1393 N PHE A 96 19.530 21.640 -23.096 1.00 0.00 N ATOM 1394 CA PHE A 96 20.610 22.609 -23.224 1.00 0.00 C ATOM 1395 C PHE A 96 21.696 22.358 -22.185 1.00 0.00 C ATOM 1396 O PHE A 96 21.579 21.458 -21.355 1.00 0.00 O ATOM 1397 CB PHE A 96 20.068 24.032 -23.082 1.00 0.00 C ATOM 1398 CG PHE A 96 19.398 24.542 -24.326 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.025 24.435 -25.557 1.00 0.00 C ATOM 1400 CD2 PHE A 96 18.143 25.125 -24.265 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.412 24.899 -26.704 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.525 25.592 -25.408 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.160 25.478 -26.630 1.00 0.00 C ATOM 0 H PHE A 96 18.635 22.039 -22.814 1.00 0.00 H new ATOM 0 HA PHE A 96 21.050 22.494 -24.215 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.356 24.061 -22.257 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.888 24.701 -22.820 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.004 23.984 -25.620 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.642 25.215 -23.312 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.911 24.809 -27.658 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.547 26.046 -25.347 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.678 25.841 -27.526 1.00 0.00 H new ATOM 1413 N CYS A 97 22.752 23.162 -22.239 1.00 0.00 N ATOM 1414 CA CYS A 97 23.862 23.032 -21.304 1.00 0.00 C ATOM 1415 C CYS A 97 24.457 24.399 -20.985 1.00 0.00 C ATOM 1416 O CYS A 97 24.453 25.299 -21.825 1.00 0.00 O ATOM 1417 CB CYS A 97 24.941 22.114 -21.881 1.00 0.00 C ATOM 1418 SG CYS A 97 24.286 20.702 -22.828 1.00 0.00 S ATOM 0 H CYS A 97 22.862 23.912 -22.922 1.00 0.00 H new ATOM 0 HA CYS A 97 23.482 22.593 -20.382 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.594 22.700 -22.528 1.00 0.00 H new ATOM 0 HB3 CYS A 97 25.556 21.736 -21.065 1.00 0.00 H new ATOM 1423 N THR A 98 24.964 24.549 -19.767 1.00 0.00 N ATOM 1424 CA THR A 98 25.559 25.806 -19.337 1.00 0.00 C ATOM 1425 C THR A 98 26.791 26.146 -20.170 1.00 0.00 C ATOM 1426 O THR A 98 26.684 26.764 -21.230 1.00 0.00 O ATOM 1427 CB THR A 98 25.953 25.756 -17.850 1.00 0.00 C ATOM 1428 OG1 THR A 98 26.361 24.429 -17.496 1.00 0.00 O ATOM 1429 CG2 THR A 98 24.794 26.185 -16.969 1.00 0.00 C ATOM 0 H THR A 98 24.974 23.814 -19.060 1.00 0.00 H new ATOM 0 HA THR A 98 24.806 26.581 -19.480 1.00 0.00 H new ATOM 0 HB THR A 98 26.782 26.446 -17.694 1.00 0.00 H new ATOM 0 HG1 THR A 98 26.612 24.406 -16.549 1.00 0.00 H new ATOM 0 HG21 THR A 98 25.097 26.141 -15.923 1.00 0.00 H new ATOM 0 HG22 THR A 98 24.504 27.205 -17.221 1.00 0.00 H new ATOM 0 HG23 THR A 98 23.948 25.517 -17.130 1.00 0.00 H new ATOM 1437 N ASP A 99 27.960 25.743 -19.683 1.00 0.00 N ATOM 1438 CA ASP A 99 29.211 26.009 -20.384 1.00 0.00 C ATOM 1439 C ASP A 99 29.556 27.492 -20.334 1.00 0.00 C ATOM 1440 O ASP A 99 30.556 27.888 -19.734 1.00 0.00 O ATOM 1441 CB ASP A 99 29.113 25.543 -21.837 1.00 0.00 C ATOM 1442 CG ASP A 99 30.027 24.370 -22.130 1.00 0.00 C ATOM 1443 OD1 ASP A 99 29.738 23.257 -21.643 1.00 0.00 O ATOM 1444 OD2 ASP A 99 31.030 24.563 -22.850 1.00 0.00 O ATOM 0 H ASP A 99 28.067 25.232 -18.807 1.00 0.00 H new ATOM 0 HA ASP A 99 30.005 25.454 -19.885 1.00 0.00 H new ATOM 0 HB2 ASP A 99 28.083 25.262 -22.057 1.00 0.00 H new ATOM 0 HB3 ASP A 99 29.365 26.371 -22.499 1.00 0.00 H new ATOM 1449 N HIS A 100 28.723 28.310 -20.969 1.00 0.00 N ATOM 1450 CA HIS A 100 28.942 29.751 -20.996 1.00 0.00 C ATOM 1451 C HIS A 100 30.379 30.074 -21.391 1.00 0.00 C ATOM 1452 O HIS A 100 31.165 29.178 -21.699 1.00 0.00 O ATOM 1453 CB HIS A 100 28.627 30.360 -19.628 1.00 0.00 C ATOM 1454 CG HIS A 100 27.640 31.484 -19.686 1.00 0.00 C ATOM 1455 ND1 HIS A 100 26.371 31.346 -20.207 1.00 0.00 N ATOM 1456 CD2 HIS A 100 27.741 32.774 -19.283 1.00 0.00 C ATOM 1457 CE1 HIS A 100 25.734 32.501 -20.124 1.00 0.00 C ATOM 1458 NE2 HIS A 100 26.544 33.382 -19.568 1.00 0.00 N ATOM 0 H HIS A 100 27.891 28.000 -21.471 1.00 0.00 H new ATOM 0 HA HIS A 100 28.274 30.183 -21.741 1.00 0.00 H new ATOM 0 HB2 HIS A 100 28.239 29.580 -18.973 1.00 0.00 H new ATOM 0 HB3 HIS A 100 29.552 30.722 -19.179 1.00 0.00 H new ATOM 0 HD2 HIS A 100 28.602 33.237 -18.824 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.724 32.691 -20.455 1.00 0.00 H new ATOM 0 HE2 HIS A 100 26.317 34.358 -19.380 1.00 0.00 H new ATOM 1467 N THR A 101 30.716 31.359 -21.377 1.00 0.00 N ATOM 1468 CA THR A 101 32.060 31.799 -21.733 1.00 0.00 C ATOM 1469 C THR A 101 32.740 32.494 -20.559 1.00 0.00 C ATOM 1470 O THR A 101 32.331 33.627 -20.226 1.00 0.00 O ATOM 1471 CB THR A 101 32.037 32.756 -22.941 1.00 0.00 C ATOM 1472 OG1 THR A 101 33.341 33.315 -23.149 1.00 0.00 O ATOM 1473 CG2 THR A 101 31.028 33.873 -22.724 1.00 0.00 C ATOM 1474 OXT THR A 101 33.676 31.902 -19.982 1.00 0.00 O ATOM 0 H THR A 101 30.078 32.113 -21.123 1.00 0.00 H new ATOM 0 HA THR A 101 32.625 30.906 -21.999 1.00 0.00 H new ATOM 0 HB THR A 101 31.742 32.188 -23.823 1.00 0.00 H new ATOM 0 HG1 THR A 101 33.318 33.921 -23.919 1.00 0.00 H new ATOM 0 HG21 THR A 101 31.028 34.537 -23.589 1.00 0.00 H new ATOM 0 HG22 THR A 101 30.034 33.445 -22.595 1.00 0.00 H new ATOM 0 HG23 THR A 101 31.298 34.439 -21.832 1.00 0.00 H new TER 1482 THR A 101