USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 570 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 88 TYR OH : rot 108:sc= 0.598 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.454 K(o=0.14,f=-0.51) USER MOD Set 2.1: A 84 THR OG1 : rot 171:sc= -0.964 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 SER OG : rot 74:sc= -0.332 USER MOD Set 3.2: A 95 SER OG : rot 70:sc= 1.26 USER MOD Set 4.1: A 17 GLN : amide:sc= -0.4 X(o=-0.27,f=-0.23) USER MOD Set 4.2: A 68 TYR OH : rot -23:sc= 0.131 USER MOD Set 5.1: A 3 HIS : no HD1:sc= -3! C(o=-5.9!,f=-3.2!) USER MOD Set 5.2: A 13 SER OG : rot -113:sc= -2.88! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 8 SER OG : rot -63:sc= 1.12 USER MOD Single : A 12 TYR OH : rot -101:sc= 1.84 USER MOD Single : A 16 MET CE :methyl -110:sc= -2.76! (180deg=-5.46!) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.109 (180deg=0.00413) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 34 ASN : amide:sc= -5.87! C(o=-5.9!,f=-14!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0408 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0673 K(o=-0.067,f=-0.73) USER MOD Single : A 46 THR OG1 : rot -172:sc= -0.909 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 50 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.9!) USER MOD Single : A 52 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.97! USER MOD Single : A 63 ASN : amide:sc= -1.57 K(o=-1.6,f=0.48) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 71 THR OG1 : rot 35:sc= -1.41! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.056) USER MOD Single : A 83 SER OG : rot -97:sc= -4.26! USER MOD Single : A 86 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 87 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.6!) USER MOD Single : A 90 GLN : amide:sc= 0.183 K(o=0.18,f=-0.47) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 14:sc= 0.191 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0416 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.714 2.189 -41.770 1.00 0.00 N ATOM 32 CA HIS A 3 45.174 2.100 -40.419 1.00 0.00 C ATOM 33 C HIS A 3 45.675 3.251 -39.553 1.00 0.00 C ATOM 34 O HIS A 3 46.646 3.924 -39.900 1.00 0.00 O ATOM 35 CB HIS A 3 45.563 0.764 -39.784 1.00 0.00 C ATOM 36 CG HIS A 3 44.648 -0.364 -40.151 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.345 -0.693 -41.455 1.00 0.00 N ATOM 38 CD2 HIS A 3 43.971 -1.243 -39.375 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.520 -1.725 -41.465 1.00 0.00 C ATOM 40 NE2 HIS A 3 43.278 -2.078 -40.216 1.00 0.00 N ATOM 0 HA HIS A 3 44.088 2.166 -40.483 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.579 0.510 -40.086 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.572 0.876 -38.700 1.00 0.00 H new ATOM 0 HD2 HIS A 3 43.975 -1.280 -38.296 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.113 -2.199 -42.346 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.674 -2.846 -39.923 1.00 0.00 H new ATOM 49 N CYS A 4 45.008 3.472 -38.425 1.00 0.00 N ATOM 50 CA CYS A 4 45.390 4.542 -37.510 1.00 0.00 C ATOM 51 C CYS A 4 45.949 3.972 -36.211 1.00 0.00 C ATOM 52 O CYS A 4 45.278 3.210 -35.517 1.00 0.00 O ATOM 53 CB CYS A 4 44.191 5.443 -37.211 1.00 0.00 C ATOM 54 SG CYS A 4 42.574 4.629 -37.448 1.00 0.00 S ATOM 0 H CYS A 4 44.202 2.926 -38.123 1.00 0.00 H new ATOM 0 HA CYS A 4 46.168 5.135 -37.991 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.262 5.795 -36.182 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.241 6.322 -37.853 1.00 0.00 H new ATOM 59 N VAL A 5 47.180 4.348 -35.889 1.00 0.00 N ATOM 60 CA VAL A 5 47.830 3.875 -34.674 1.00 0.00 C ATOM 61 C VAL A 5 48.065 5.021 -33.696 1.00 0.00 C ATOM 62 O VAL A 5 48.362 6.145 -34.102 1.00 0.00 O ATOM 63 CB VAL A 5 49.177 3.195 -34.986 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.760 2.561 -33.732 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.009 2.160 -36.089 1.00 0.00 C ATOM 0 H VAL A 5 47.749 4.980 -36.453 1.00 0.00 H new ATOM 0 HA VAL A 5 47.160 3.145 -34.220 1.00 0.00 H new ATOM 0 HB VAL A 5 49.875 3.956 -35.336 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.711 2.086 -33.973 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.920 3.330 -32.976 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.068 1.812 -33.347 1.00 0.00 H new ATOM 0 HG21 VAL A 5 49.970 1.690 -36.296 1.00 0.00 H new ATOM 0 HG22 VAL A 5 48.295 1.401 -35.770 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.641 2.647 -36.992 1.00 0.00 H new ATOM 75 N THR A 6 47.928 4.731 -32.407 1.00 0.00 N ATOM 76 CA THR A 6 48.124 5.738 -31.372 1.00 0.00 C ATOM 77 C THR A 6 49.606 6.012 -31.142 1.00 0.00 C ATOM 78 O THR A 6 50.137 7.027 -31.593 1.00 0.00 O ATOM 79 CB THR A 6 47.481 5.307 -30.041 1.00 0.00 C ATOM 80 OG1 THR A 6 48.056 4.074 -29.596 1.00 0.00 O ATOM 81 CG2 THR A 6 45.978 5.145 -30.197 1.00 0.00 C ATOM 0 H THR A 6 47.682 3.806 -32.054 1.00 0.00 H new ATOM 0 HA THR A 6 47.640 6.649 -31.723 1.00 0.00 H new ATOM 0 HB THR A 6 47.672 6.084 -29.300 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.643 3.808 -28.748 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.544 4.840 -29.245 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.540 6.093 -30.508 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.770 4.385 -30.950 1.00 0.00 H new ATOM 89 N ASP A 7 50.267 5.101 -30.434 1.00 0.00 N ATOM 90 CA ASP A 7 51.689 5.247 -30.143 1.00 0.00 C ATOM 91 C ASP A 7 52.437 3.948 -30.416 1.00 0.00 C ATOM 92 O ASP A 7 53.470 3.942 -31.085 1.00 0.00 O ATOM 93 CB ASP A 7 51.891 5.667 -28.686 1.00 0.00 C ATOM 94 CG ASP A 7 51.866 7.173 -28.509 1.00 0.00 C ATOM 95 OD1 ASP A 7 52.922 7.812 -28.703 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.790 7.714 -28.175 1.00 0.00 O ATOM 0 H ASP A 7 49.842 4.256 -30.052 1.00 0.00 H new ATOM 0 HA ASP A 7 52.090 6.021 -30.798 1.00 0.00 H new ATOM 0 HB2 ASP A 7 51.111 5.219 -28.070 1.00 0.00 H new ATOM 0 HB3 ASP A 7 52.844 5.278 -28.327 1.00 0.00 H new ATOM 101 N SER A 8 51.907 2.851 -29.891 1.00 0.00 N ATOM 102 CA SER A 8 52.522 1.541 -30.072 1.00 0.00 C ATOM 103 C SER A 8 51.770 0.474 -29.282 1.00 0.00 C ATOM 104 O SER A 8 52.294 -0.083 -28.318 1.00 0.00 O ATOM 105 CB SER A 8 53.987 1.578 -29.634 1.00 0.00 C ATOM 106 OG SER A 8 54.496 0.270 -29.444 1.00 0.00 O ATOM 0 H SER A 8 51.052 2.842 -29.336 1.00 0.00 H new ATOM 0 HA SER A 8 52.473 1.287 -31.131 1.00 0.00 H new ATOM 0 HB2 SER A 8 54.581 2.097 -30.386 1.00 0.00 H new ATOM 0 HB3 SER A 8 54.079 2.145 -28.708 1.00 0.00 H new ATOM 0 HG SER A 8 54.009 -0.168 -28.715 1.00 0.00 H new ATOM 112 N GLY A 9 50.539 0.196 -29.699 1.00 0.00 N ATOM 113 CA GLY A 9 49.734 -0.802 -29.020 1.00 0.00 C ATOM 114 C GLY A 9 48.421 -1.066 -29.727 1.00 0.00 C ATOM 115 O GLY A 9 48.108 -2.206 -30.068 1.00 0.00 O ATOM 0 H GLY A 9 50.085 0.644 -30.495 1.00 0.00 H new ATOM 0 HA2 GLY A 9 50.298 -1.732 -28.948 1.00 0.00 H new ATOM 0 HA3 GLY A 9 49.534 -0.471 -28.001 1.00 0.00 H new ATOM 119 N VAL A 10 47.652 -0.007 -29.946 1.00 0.00 N ATOM 120 CA VAL A 10 46.363 -0.122 -30.616 1.00 0.00 C ATOM 121 C VAL A 10 46.459 0.323 -32.071 1.00 0.00 C ATOM 122 O VAL A 10 46.992 1.391 -32.371 1.00 0.00 O ATOM 123 CB VAL A 10 45.283 0.714 -29.903 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.934 0.537 -30.583 1.00 0.00 C ATOM 125 CG2 VAL A 10 45.202 0.334 -28.433 1.00 0.00 C ATOM 0 H VAL A 10 47.899 0.943 -29.669 1.00 0.00 H new ATOM 0 HA VAL A 10 46.079 -1.174 -30.579 1.00 0.00 H new ATOM 0 HB VAL A 10 45.560 1.766 -29.969 1.00 0.00 H new ATOM 0 HG11 VAL A 10 43.184 1.135 -30.065 1.00 0.00 H new ATOM 0 HG12 VAL A 10 44.004 0.862 -31.621 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.645 -0.514 -30.551 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.434 0.934 -27.944 1.00 0.00 H new ATOM 0 HG22 VAL A 10 44.949 -0.722 -28.344 1.00 0.00 H new ATOM 0 HG23 VAL A 10 46.165 0.518 -27.956 1.00 0.00 H new ATOM 135 N VAL A 11 45.943 -0.506 -32.973 1.00 0.00 N ATOM 136 CA VAL A 11 45.974 -0.201 -34.398 1.00 0.00 C ATOM 137 C VAL A 11 44.568 -0.014 -34.958 1.00 0.00 C ATOM 138 O VAL A 11 43.955 -0.956 -35.462 1.00 0.00 O ATOM 139 CB VAL A 11 46.686 -1.313 -35.193 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.589 -1.048 -36.688 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.139 -1.431 -34.757 1.00 0.00 C ATOM 0 H VAL A 11 45.498 -1.394 -32.742 1.00 0.00 H new ATOM 0 HA VAL A 11 46.529 0.731 -34.507 1.00 0.00 H new ATOM 0 HB VAL A 11 46.189 -2.260 -34.984 1.00 0.00 H new ATOM 0 HG11 VAL A 11 47.097 -1.844 -37.232 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.541 -1.018 -36.985 1.00 0.00 H new ATOM 0 HG13 VAL A 11 47.059 -0.092 -36.919 1.00 0.00 H new ATOM 0 HG21 VAL A 11 48.627 -2.221 -35.328 1.00 0.00 H new ATOM 0 HG22 VAL A 11 48.650 -0.485 -34.935 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.182 -1.672 -33.695 1.00 0.00 H new ATOM 151 N TYR A 12 44.064 1.213 -34.871 1.00 0.00 N ATOM 152 CA TYR A 12 42.732 1.538 -35.370 1.00 0.00 C ATOM 153 C TYR A 12 42.698 1.504 -36.894 1.00 0.00 C ATOM 154 O TYR A 12 43.653 1.074 -37.540 1.00 0.00 O ATOM 155 CB TYR A 12 42.314 2.926 -34.883 1.00 0.00 C ATOM 156 CG TYR A 12 42.204 3.040 -33.384 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.131 2.484 -32.701 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.175 3.707 -32.652 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.027 2.589 -31.328 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.080 3.818 -31.278 1.00 0.00 C ATOM 161 CZ TYR A 12 42.005 3.257 -30.621 1.00 0.00 C ATOM 162 OH TYR A 12 41.907 3.365 -29.252 1.00 0.00 O ATOM 0 H TYR A 12 44.561 2.002 -34.458 1.00 0.00 H new ATOM 0 HA TYR A 12 42.036 0.791 -34.988 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.037 3.659 -35.241 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.353 3.182 -35.329 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.364 1.960 -33.253 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.018 4.146 -33.164 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.186 2.151 -30.811 1.00 0.00 H new ATOM 0 HE2 TYR A 12 43.843 4.341 -30.722 1.00 0.00 H new ATOM 0 HH TYR A 12 41.567 4.254 -29.017 1.00 0.00 H new ATOM 172 N SER A 13 41.590 1.972 -37.460 1.00 0.00 N ATOM 173 CA SER A 13 41.422 2.011 -38.906 1.00 0.00 C ATOM 174 C SER A 13 40.696 3.286 -39.319 1.00 0.00 C ATOM 175 O SER A 13 39.634 3.598 -38.784 1.00 0.00 O ATOM 176 CB SER A 13 40.647 0.784 -39.389 1.00 0.00 C ATOM 177 OG SER A 13 41.482 -0.359 -39.441 1.00 0.00 O ATOM 0 H SER A 13 40.792 2.331 -36.935 1.00 0.00 H new ATOM 0 HA SER A 13 42.409 2.002 -39.368 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.807 0.594 -38.721 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.230 0.979 -40.377 1.00 0.00 H new ATOM 0 HG SER A 13 41.596 -0.639 -40.373 1.00 0.00 H new ATOM 183 N VAL A 14 41.290 4.018 -40.263 1.00 0.00 N ATOM 184 CA VAL A 14 40.724 5.274 -40.757 1.00 0.00 C ATOM 185 C VAL A 14 39.212 5.333 -40.560 1.00 0.00 C ATOM 186 O VAL A 14 38.443 4.979 -41.453 1.00 0.00 O ATOM 187 CB VAL A 14 41.042 5.479 -42.251 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.771 4.205 -43.035 1.00 0.00 C ATOM 189 CG2 VAL A 14 40.240 6.642 -42.817 1.00 0.00 C ATOM 0 H VAL A 14 42.172 3.759 -40.704 1.00 0.00 H new ATOM 0 HA VAL A 14 41.186 6.071 -40.174 1.00 0.00 H new ATOM 0 HB VAL A 14 42.101 5.719 -42.346 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.001 4.370 -44.088 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.396 3.400 -42.648 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.721 3.931 -42.932 1.00 0.00 H new ATOM 0 HG21 VAL A 14 40.479 6.769 -43.873 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.175 6.436 -42.709 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.490 7.554 -42.275 1.00 0.00 H new ATOM 199 N GLY A 15 38.796 5.780 -39.380 1.00 0.00 N ATOM 200 CA GLY A 15 37.381 5.877 -39.074 1.00 0.00 C ATOM 201 C GLY A 15 36.973 4.976 -37.925 1.00 0.00 C ATOM 202 O GLY A 15 35.830 4.524 -37.858 1.00 0.00 O ATOM 0 H GLY A 15 39.417 6.078 -38.627 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.136 6.910 -38.826 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.802 5.616 -39.960 1.00 0.00 H new ATOM 206 N MET A 16 37.909 4.714 -37.019 1.00 0.00 N ATOM 207 CA MET A 16 37.642 3.860 -35.867 1.00 0.00 C ATOM 208 C MET A 16 37.887 4.614 -34.563 1.00 0.00 C ATOM 209 O MET A 16 38.534 4.097 -33.653 1.00 0.00 O ATOM 210 CB MET A 16 38.526 2.612 -35.921 1.00 0.00 C ATOM 211 CG MET A 16 38.124 1.537 -34.924 1.00 0.00 C ATOM 212 SD MET A 16 38.389 -0.131 -35.556 1.00 0.00 S ATOM 213 CE MET A 16 39.990 -0.513 -34.848 1.00 0.00 C ATOM 0 H MET A 16 38.860 5.081 -37.060 1.00 0.00 H new ATOM 0 HA MET A 16 36.595 3.560 -35.900 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.489 2.194 -36.927 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.560 2.901 -35.733 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.695 1.668 -34.005 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.072 1.661 -34.666 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.740 -0.542 -35.639 1.00 0.00 H new ATOM 0 HE2 MET A 16 40.259 0.253 -34.121 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.947 -1.483 -34.353 1.00 0.00 H new ATOM 223 N GLN A 17 37.367 5.837 -34.481 1.00 0.00 N ATOM 224 CA GLN A 17 37.533 6.661 -33.285 1.00 0.00 C ATOM 225 C GLN A 17 37.365 5.828 -32.021 1.00 0.00 C ATOM 226 O GLN A 17 36.936 4.675 -32.076 1.00 0.00 O ATOM 227 CB GLN A 17 36.529 7.816 -33.279 1.00 0.00 C ATOM 228 CG GLN A 17 35.191 7.464 -33.907 1.00 0.00 C ATOM 229 CD GLN A 17 34.060 7.455 -32.898 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.114 8.236 -33.002 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.152 6.569 -31.913 1.00 0.00 N ATOM 0 H GLN A 17 36.829 6.279 -35.226 1.00 0.00 H new ATOM 0 HA GLN A 17 38.543 7.070 -33.303 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.365 8.138 -32.251 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.960 8.663 -33.813 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.964 8.181 -34.696 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.261 6.483 -34.378 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.954 5.941 -31.866 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.421 6.517 -31.204 1.00 0.00 H new ATOM 240 N TRP A 18 37.709 6.417 -30.882 1.00 0.00 N ATOM 241 CA TRP A 18 37.601 5.723 -29.607 1.00 0.00 C ATOM 242 C TRP A 18 37.454 6.715 -28.453 1.00 0.00 C ATOM 243 O TRP A 18 37.110 7.879 -28.663 1.00 0.00 O ATOM 244 CB TRP A 18 38.827 4.834 -29.401 1.00 0.00 C ATOM 245 CG TRP A 18 40.118 5.588 -29.463 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.797 6.133 -28.414 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.881 5.888 -30.638 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.938 6.747 -28.860 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.015 6.612 -30.224 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.719 5.613 -32.000 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.980 7.062 -31.125 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.676 6.061 -32.889 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.792 6.778 -32.448 1.00 0.00 C ATOM 0 H TRP A 18 38.064 7.371 -30.816 1.00 0.00 H new ATOM 0 HA TRP A 18 36.707 5.100 -29.623 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.750 4.338 -28.434 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.833 4.052 -30.161 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.482 6.087 -27.382 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.620 7.227 -28.273 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.860 5.060 -32.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.845 7.615 -30.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.560 5.854 -33.943 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.522 7.115 -33.169 1.00 0.00 H new ATOM 264 N LEU A 19 37.713 6.247 -27.235 1.00 0.00 N ATOM 265 CA LEU A 19 37.607 7.087 -26.046 1.00 0.00 C ATOM 266 C LEU A 19 38.859 6.959 -25.194 1.00 0.00 C ATOM 267 O LEU A 19 39.010 6.000 -24.437 1.00 0.00 O ATOM 268 CB LEU A 19 36.381 6.694 -25.218 1.00 0.00 C ATOM 269 CG LEU A 19 35.059 7.316 -25.670 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.161 8.833 -25.702 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.660 6.778 -27.033 1.00 0.00 C ATOM 0 H LEU A 19 37.999 5.286 -27.045 1.00 0.00 H new ATOM 0 HA LEU A 19 37.499 8.122 -26.370 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.280 5.609 -25.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.559 6.975 -24.180 1.00 0.00 H new ATOM 0 HG LEU A 19 34.287 7.043 -24.951 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.210 9.255 -26.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.401 9.203 -24.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.946 9.130 -26.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.717 7.230 -27.341 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.434 7.021 -27.761 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.542 5.696 -26.977 1.00 0.00 H new ATOM 283 N LYS A 20 39.756 7.923 -25.323 1.00 0.00 N ATOM 284 CA LYS A 20 41.000 7.905 -24.562 1.00 0.00 C ATOM 285 C LYS A 20 40.790 8.426 -23.145 1.00 0.00 C ATOM 286 O LYS A 20 39.809 9.113 -22.863 1.00 0.00 O ATOM 287 CB LYS A 20 42.066 8.735 -25.271 1.00 0.00 C ATOM 288 CG LYS A 20 41.754 10.219 -25.304 1.00 0.00 C ATOM 289 CD LYS A 20 42.919 11.017 -25.860 1.00 0.00 C ATOM 290 CE LYS A 20 43.730 11.666 -24.749 1.00 0.00 C ATOM 291 NZ LYS A 20 44.843 12.498 -25.285 1.00 0.00 N ATOM 0 H LYS A 20 39.649 8.725 -25.944 1.00 0.00 H new ATOM 0 HA LYS A 20 41.336 6.870 -24.496 1.00 0.00 H new ATOM 0 HB2 LYS A 20 43.024 8.584 -24.773 1.00 0.00 H new ATOM 0 HB3 LYS A 20 42.178 8.372 -26.293 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.868 10.393 -25.914 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.521 10.566 -24.297 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.563 10.362 -26.447 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.545 11.786 -26.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.075 12.287 -24.137 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.137 10.893 -24.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.611 12.543 -24.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.201 12.074 -26.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.496 13.459 -25.480 1.00 0.00 H new ATOM 379 N GLN A 26 38.876 12.388 -19.188 1.00 0.00 N ATOM 380 CA GLN A 26 38.526 11.640 -20.387 1.00 0.00 C ATOM 381 C GLN A 26 38.872 12.434 -21.641 1.00 0.00 C ATOM 382 O GLN A 26 39.296 13.587 -21.561 1.00 0.00 O ATOM 383 CB GLN A 26 37.034 11.296 -20.384 1.00 0.00 C ATOM 384 CG GLN A 26 36.742 9.863 -19.969 1.00 0.00 C ATOM 385 CD GLN A 26 35.674 9.214 -20.828 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.483 9.304 -20.531 1.00 0.00 O ATOM 387 NE2 GLN A 26 36.097 8.556 -21.901 1.00 0.00 N ATOM 0 HA GLN A 26 39.104 10.716 -20.390 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.514 11.975 -19.708 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.628 11.467 -21.381 1.00 0.00 H new ATOM 0 HG2 GLN A 26 37.659 9.277 -20.031 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.424 9.848 -18.927 1.00 0.00 H new ATOM 0 HE21 GLN A 26 37.094 8.507 -22.109 1.00 0.00 H new ATOM 0 HE22 GLN A 26 35.425 8.100 -22.517 1.00 0.00 H new ATOM 396 N MET A 27 38.692 11.808 -22.798 1.00 0.00 N ATOM 397 CA MET A 27 38.990 12.455 -24.068 1.00 0.00 C ATOM 398 C MET A 27 38.487 11.609 -25.234 1.00 0.00 C ATOM 399 O MET A 27 38.388 10.386 -25.130 1.00 0.00 O ATOM 400 CB MET A 27 40.495 12.690 -24.194 1.00 0.00 C ATOM 401 CG MET A 27 40.896 14.145 -24.039 1.00 0.00 C ATOM 402 SD MET A 27 42.161 14.647 -25.223 1.00 0.00 S ATOM 403 CE MET A 27 42.669 16.216 -24.527 1.00 0.00 C ATOM 0 H MET A 27 38.341 10.854 -22.882 1.00 0.00 H new ATOM 0 HA MET A 27 38.478 13.417 -24.097 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.012 12.097 -23.440 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.831 12.331 -25.167 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.016 14.776 -24.164 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.265 14.310 -23.027 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.450 16.654 -25.148 1.00 0.00 H new ATOM 0 HE2 MET A 27 41.814 16.891 -24.489 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.053 16.060 -23.519 1.00 0.00 H new ATOM 413 N LEU A 28 38.172 12.269 -26.340 1.00 0.00 N ATOM 414 CA LEU A 28 37.676 11.586 -27.531 1.00 0.00 C ATOM 415 C LEU A 28 38.740 11.559 -28.613 1.00 0.00 C ATOM 416 O LEU A 28 39.229 12.602 -29.017 1.00 0.00 O ATOM 417 CB LEU A 28 36.442 12.295 -28.066 1.00 0.00 C ATOM 418 CG LEU A 28 35.302 11.361 -28.435 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.447 11.084 -27.216 1.00 0.00 C ATOM 420 CD2 LEU A 28 34.472 11.951 -29.564 1.00 0.00 C ATOM 0 H LEU A 28 38.251 13.281 -26.439 1.00 0.00 H new ATOM 0 HA LEU A 28 37.420 10.563 -27.253 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.089 13.003 -27.316 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.722 12.875 -28.946 1.00 0.00 H new ATOM 0 HG LEU A 28 35.717 10.416 -28.787 1.00 0.00 H new ATOM 0 HD11 LEU A 28 33.632 10.414 -27.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.057 10.618 -26.442 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.036 12.021 -26.839 1.00 0.00 H new ATOM 0 HD21 LEU A 28 33.660 11.268 -29.814 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.056 12.908 -29.248 1.00 0.00 H new ATOM 0 HD23 LEU A 28 35.103 12.101 -30.440 1.00 0.00 H new ATOM 432 N CYS A 29 39.094 10.375 -29.090 1.00 0.00 N ATOM 433 CA CYS A 29 40.103 10.269 -30.134 1.00 0.00 C ATOM 434 C CYS A 29 39.523 9.660 -31.404 1.00 0.00 C ATOM 435 O CYS A 29 38.908 8.594 -31.372 1.00 0.00 O ATOM 436 CB CYS A 29 41.297 9.449 -29.648 1.00 0.00 C ATOM 437 SG CYS A 29 42.628 10.450 -28.910 1.00 0.00 S ATOM 0 H CYS A 29 38.704 9.486 -28.777 1.00 0.00 H new ATOM 0 HA CYS A 29 40.444 11.277 -30.369 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.951 8.723 -28.912 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.703 8.884 -30.487 1.00 0.00 H new ATOM 442 N THR A 30 39.727 10.349 -32.524 1.00 0.00 N ATOM 443 CA THR A 30 39.226 9.882 -33.812 1.00 0.00 C ATOM 444 C THR A 30 40.308 9.958 -34.877 1.00 0.00 C ATOM 445 O THR A 30 40.974 10.983 -35.025 1.00 0.00 O ATOM 446 CB THR A 30 38.020 10.711 -34.292 1.00 0.00 C ATOM 447 OG1 THR A 30 36.979 10.684 -33.309 1.00 0.00 O ATOM 448 CG2 THR A 30 37.490 10.175 -35.615 1.00 0.00 C ATOM 0 H THR A 30 40.236 11.232 -32.565 1.00 0.00 H new ATOM 0 HA THR A 30 38.916 8.847 -33.665 1.00 0.00 H new ATOM 0 HB THR A 30 38.350 11.739 -34.438 1.00 0.00 H new ATOM 0 HG1 THR A 30 36.218 11.215 -33.624 1.00 0.00 H new ATOM 0 HG21 THR A 30 36.638 10.775 -35.936 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.275 10.227 -36.369 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.176 9.139 -35.488 1.00 0.00 H new ATOM 456 N CYS A 31 40.469 8.879 -35.630 1.00 0.00 N ATOM 457 CA CYS A 31 41.463 8.851 -36.691 1.00 0.00 C ATOM 458 C CYS A 31 40.802 9.086 -38.041 1.00 0.00 C ATOM 459 O CYS A 31 40.093 8.224 -38.562 1.00 0.00 O ATOM 460 CB CYS A 31 42.236 7.533 -36.693 1.00 0.00 C ATOM 461 SG CYS A 31 41.216 6.046 -36.925 1.00 0.00 S ATOM 0 H CYS A 31 39.929 8.020 -35.527 1.00 0.00 H new ATOM 0 HA CYS A 31 42.176 9.654 -36.506 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.985 7.569 -37.484 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.774 7.443 -35.749 1.00 0.00 H new ATOM 466 N LEU A 32 41.032 10.270 -38.590 1.00 0.00 N ATOM 467 CA LEU A 32 40.456 10.649 -39.873 1.00 0.00 C ATOM 468 C LEU A 32 41.240 10.031 -41.029 1.00 0.00 C ATOM 469 O LEU A 32 41.025 8.873 -41.383 1.00 0.00 O ATOM 470 CB LEU A 32 40.425 12.176 -40.009 1.00 0.00 C ATOM 471 CG LEU A 32 41.518 12.919 -39.236 1.00 0.00 C ATOM 472 CD1 LEU A 32 42.000 14.131 -40.014 1.00 0.00 C ATOM 473 CD2 LEU A 32 41.011 13.330 -37.861 1.00 0.00 C ATOM 0 H LEU A 32 41.617 10.989 -38.164 1.00 0.00 H new ATOM 0 HA LEU A 32 39.435 10.269 -39.914 1.00 0.00 H new ATOM 0 HB2 LEU A 32 40.510 12.433 -41.065 1.00 0.00 H new ATOM 0 HB3 LEU A 32 39.453 12.536 -39.670 1.00 0.00 H new ATOM 0 HG LEU A 32 42.363 12.244 -39.104 1.00 0.00 H new ATOM 0 HD11 LEU A 32 42.776 14.643 -39.445 1.00 0.00 H new ATOM 0 HD12 LEU A 32 42.405 13.810 -40.974 1.00 0.00 H new ATOM 0 HD13 LEU A 32 41.165 14.811 -40.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 41.800 13.857 -37.325 1.00 0.00 H new ATOM 0 HD22 LEU A 32 40.148 13.986 -37.973 1.00 0.00 H new ATOM 0 HD23 LEU A 32 40.721 12.442 -37.300 1.00 0.00 H new ATOM 485 N GLY A 33 42.150 10.805 -41.616 1.00 0.00 N ATOM 486 CA GLY A 33 42.943 10.302 -42.722 1.00 0.00 C ATOM 487 C GLY A 33 44.356 10.843 -42.713 1.00 0.00 C ATOM 488 O GLY A 33 45.311 10.112 -42.979 1.00 0.00 O ATOM 0 H GLY A 33 42.351 11.768 -41.346 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.974 9.213 -42.678 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.461 10.569 -43.662 1.00 0.00 H new ATOM 492 N ASN A 34 44.490 12.125 -42.404 1.00 0.00 N ATOM 493 CA ASN A 34 45.796 12.767 -42.357 1.00 0.00 C ATOM 494 C ASN A 34 46.485 12.482 -41.027 1.00 0.00 C ATOM 495 O ASN A 34 47.680 12.733 -40.869 1.00 0.00 O ATOM 496 CB ASN A 34 45.658 14.276 -42.564 1.00 0.00 C ATOM 497 CG ASN A 34 44.446 14.848 -41.857 1.00 0.00 C ATOM 498 OD1 ASN A 34 43.307 14.528 -42.195 1.00 0.00 O ATOM 499 ND2 ASN A 34 44.687 15.702 -40.870 1.00 0.00 N ATOM 0 H ASN A 34 43.709 12.742 -42.182 1.00 0.00 H new ATOM 0 HA ASN A 34 46.407 12.357 -43.161 1.00 0.00 H new ATOM 0 HB2 ASN A 34 46.556 14.774 -42.199 1.00 0.00 H new ATOM 0 HB3 ASN A 34 45.587 14.489 -43.631 1.00 0.00 H new ATOM 0 HD21 ASN A 34 43.911 16.122 -40.358 1.00 0.00 H new ATOM 0 HD22 ASN A 34 45.648 15.939 -40.624 1.00 0.00 H new ATOM 506 N GLY A 35 45.723 11.954 -40.073 1.00 0.00 N ATOM 507 CA GLY A 35 46.279 11.642 -38.771 1.00 0.00 C ATOM 508 C GLY A 35 45.218 11.231 -37.770 1.00 0.00 C ATOM 509 O GLY A 35 44.188 10.667 -38.139 1.00 0.00 O ATOM 0 H GLY A 35 44.732 11.737 -40.180 1.00 0.00 H new ATOM 0 HA2 GLY A 35 47.008 10.838 -38.874 1.00 0.00 H new ATOM 0 HA3 GLY A 35 46.815 12.511 -38.391 1.00 0.00 H new ATOM 513 N VAL A 36 45.472 11.517 -36.498 1.00 0.00 N ATOM 514 CA VAL A 36 44.534 11.180 -35.433 1.00 0.00 C ATOM 515 C VAL A 36 44.233 12.406 -34.574 1.00 0.00 C ATOM 516 O VAL A 36 45.122 12.954 -33.922 1.00 0.00 O ATOM 517 CB VAL A 36 45.086 10.035 -34.543 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.484 10.077 -33.143 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.827 8.686 -35.190 1.00 0.00 C ATOM 0 H VAL A 36 46.322 11.982 -36.178 1.00 0.00 H new ATOM 0 HA VAL A 36 43.610 10.839 -35.901 1.00 0.00 H new ATOM 0 HB VAL A 36 46.162 10.179 -34.448 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.893 9.261 -32.547 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.727 11.029 -32.671 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.401 9.971 -33.209 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.221 7.895 -34.552 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.754 8.546 -35.322 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.320 8.648 -36.161 1.00 0.00 H new ATOM 529 N SER A 37 42.972 12.826 -34.574 1.00 0.00 N ATOM 530 CA SER A 37 42.551 13.979 -33.790 1.00 0.00 C ATOM 531 C SER A 37 41.777 13.520 -32.562 1.00 0.00 C ATOM 532 O SER A 37 41.359 12.365 -32.485 1.00 0.00 O ATOM 533 CB SER A 37 41.687 14.917 -34.635 1.00 0.00 C ATOM 534 OG SER A 37 41.370 16.101 -33.924 1.00 0.00 O ATOM 0 H SER A 37 42.224 12.384 -35.109 1.00 0.00 H new ATOM 0 HA SER A 37 43.439 14.523 -33.468 1.00 0.00 H new ATOM 0 HB2 SER A 37 42.214 15.172 -35.554 1.00 0.00 H new ATOM 0 HB3 SER A 37 40.768 14.407 -34.925 1.00 0.00 H new ATOM 0 HG SER A 37 40.819 16.683 -34.487 1.00 0.00 H new ATOM 540 N CYS A 38 41.591 14.414 -31.600 1.00 0.00 N ATOM 541 CA CYS A 38 40.869 14.054 -30.388 1.00 0.00 C ATOM 542 C CYS A 38 40.256 15.275 -29.702 1.00 0.00 C ATOM 543 O CYS A 38 40.694 16.407 -29.907 1.00 0.00 O ATOM 544 CB CYS A 38 41.805 13.330 -29.416 1.00 0.00 C ATOM 545 SG CYS A 38 42.816 12.022 -30.184 1.00 0.00 S ATOM 0 H CYS A 38 41.924 15.378 -31.633 1.00 0.00 H new ATOM 0 HA CYS A 38 40.053 13.392 -30.678 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.468 14.062 -28.955 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.210 12.890 -28.616 1.00 0.00 H new ATOM 550 N GLN A 39 39.244 15.021 -28.876 1.00 0.00 N ATOM 551 CA GLN A 39 38.561 16.072 -28.133 1.00 0.00 C ATOM 552 C GLN A 39 39.038 16.083 -26.684 1.00 0.00 C ATOM 553 O GLN A 39 39.649 15.121 -26.219 1.00 0.00 O ATOM 554 CB GLN A 39 37.045 15.860 -28.185 1.00 0.00 C ATOM 555 CG GLN A 39 36.306 16.911 -28.998 1.00 0.00 C ATOM 556 CD GLN A 39 35.155 16.326 -29.795 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.181 16.313 -31.025 1.00 0.00 O ATOM 558 NE2 GLN A 39 34.136 15.841 -29.096 1.00 0.00 N ATOM 0 H GLN A 39 38.877 14.085 -28.705 1.00 0.00 H new ATOM 0 HA GLN A 39 38.796 17.033 -28.591 1.00 0.00 H new ATOM 0 HB2 GLN A 39 36.839 14.876 -28.607 1.00 0.00 H new ATOM 0 HB3 GLN A 39 36.653 15.859 -27.168 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.925 17.682 -28.328 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.005 17.397 -29.679 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.156 15.872 -28.077 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.333 15.437 -29.578 1.00 0.00 H new ATOM 636 N GLN A 45 28.946 17.212 -16.783 1.00 0.00 N ATOM 637 CA GLN A 45 27.817 16.991 -15.883 1.00 0.00 C ATOM 638 C GLN A 45 26.707 18.008 -16.136 1.00 0.00 C ATOM 639 O GLN A 45 26.872 18.938 -16.921 1.00 0.00 O ATOM 640 CB GLN A 45 28.277 17.076 -14.427 1.00 0.00 C ATOM 641 CG GLN A 45 29.526 16.260 -14.138 1.00 0.00 C ATOM 642 CD GLN A 45 29.208 14.834 -13.738 1.00 0.00 C ATOM 643 OE1 GLN A 45 28.277 14.585 -12.970 1.00 0.00 O ATOM 644 NE2 GLN A 45 29.980 13.886 -14.257 1.00 0.00 N ATOM 0 HA GLN A 45 27.421 15.994 -16.077 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.468 18.119 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.471 16.733 -13.779 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.164 16.252 -15.022 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.093 16.740 -13.340 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.740 14.137 -14.889 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.813 12.907 -14.024 1.00 0.00 H new ATOM 653 N THR A 46 25.577 17.821 -15.462 1.00 0.00 N ATOM 654 CA THR A 46 24.438 18.721 -15.611 1.00 0.00 C ATOM 655 C THR A 46 23.936 19.197 -14.252 1.00 0.00 C ATOM 656 O THR A 46 24.194 18.562 -13.230 1.00 0.00 O ATOM 657 CB THR A 46 23.283 18.042 -16.370 1.00 0.00 C ATOM 658 OG1 THR A 46 22.760 16.953 -15.599 1.00 0.00 O ATOM 659 CG2 THR A 46 23.755 17.533 -17.723 1.00 0.00 C ATOM 0 H THR A 46 25.425 17.054 -14.807 1.00 0.00 H new ATOM 0 HA THR A 46 24.782 19.580 -16.187 1.00 0.00 H new ATOM 0 HB THR A 46 22.497 18.780 -16.529 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.115 16.450 -16.139 1.00 0.00 H new ATOM 0 HG21 THR A 46 22.924 17.057 -18.243 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.124 18.369 -18.318 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.556 16.808 -17.580 1.00 0.00 H new ATOM 667 N TYR A 47 23.224 20.322 -14.243 1.00 0.00 N ATOM 668 CA TYR A 47 22.698 20.874 -12.999 1.00 0.00 C ATOM 669 C TYR A 47 21.221 21.231 -13.119 1.00 0.00 C ATOM 670 O TYR A 47 20.449 21.032 -12.181 1.00 0.00 O ATOM 671 CB TYR A 47 23.492 22.115 -12.589 1.00 0.00 C ATOM 672 CG TYR A 47 23.777 23.068 -13.729 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.760 23.826 -14.300 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.064 23.214 -14.229 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.020 24.699 -15.338 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.331 24.088 -15.266 1.00 0.00 C ATOM 677 CZ TYR A 47 24.306 24.827 -15.817 1.00 0.00 C ATOM 678 OH TYR A 47 24.568 25.699 -16.849 1.00 0.00 O ATOM 0 H TYR A 47 23.000 20.865 -15.077 1.00 0.00 H new ATOM 0 HA TYR A 47 22.801 20.104 -12.234 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.940 22.647 -11.814 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.437 21.799 -12.148 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.751 23.730 -13.926 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.869 22.635 -13.801 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.219 25.279 -15.773 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.338 24.191 -15.643 1.00 0.00 H new ATOM 0 HH TYR A 47 25.523 25.671 -17.067 1.00 0.00 H new ATOM 688 N GLY A 48 20.831 21.766 -14.269 1.00 0.00 N ATOM 689 CA GLY A 48 19.450 22.148 -14.470 1.00 0.00 C ATOM 690 C GLY A 48 19.034 22.096 -15.927 1.00 0.00 C ATOM 691 O GLY A 48 19.048 21.033 -16.546 1.00 0.00 O ATOM 0 H GLY A 48 21.446 21.941 -15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.806 21.487 -13.889 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.298 23.158 -14.089 1.00 0.00 H new ATOM 695 N GLY A 49 18.658 23.249 -16.474 1.00 0.00 N ATOM 696 CA GLY A 49 18.237 23.306 -17.860 1.00 0.00 C ATOM 697 C GLY A 49 16.809 22.831 -18.046 1.00 0.00 C ATOM 698 O GLY A 49 16.022 22.827 -17.100 1.00 0.00 O ATOM 0 H GLY A 49 18.638 24.142 -15.982 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.328 24.330 -18.223 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.904 22.692 -18.466 1.00 0.00 H new ATOM 702 N ASN A 50 16.476 22.424 -19.266 1.00 0.00 N ATOM 703 CA ASN A 50 15.133 21.941 -19.566 1.00 0.00 C ATOM 704 C ASN A 50 14.938 20.518 -19.050 1.00 0.00 C ATOM 705 O ASN A 50 13.883 19.915 -19.253 1.00 0.00 O ATOM 706 CB ASN A 50 14.877 21.988 -21.073 1.00 0.00 C ATOM 707 CG ASN A 50 13.676 22.842 -21.429 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.146 23.571 -20.590 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.239 22.754 -22.680 1.00 0.00 N ATOM 0 H ASN A 50 17.115 22.419 -20.061 1.00 0.00 H new ATOM 0 HA ASN A 50 14.419 22.592 -19.062 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.760 22.380 -21.577 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.722 20.975 -21.444 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.433 23.304 -22.979 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.709 22.137 -23.342 1.00 0.00 H new ATOM 716 N SER A 51 15.959 19.983 -18.385 1.00 0.00 N ATOM 717 CA SER A 51 15.893 18.630 -17.847 1.00 0.00 C ATOM 718 C SER A 51 16.146 18.619 -16.341 1.00 0.00 C ATOM 719 O SER A 51 15.924 17.606 -15.680 1.00 0.00 O ATOM 720 CB SER A 51 16.908 17.731 -18.553 1.00 0.00 C ATOM 721 OG SER A 51 16.569 17.552 -19.917 1.00 0.00 O ATOM 0 H SER A 51 16.840 20.466 -18.207 1.00 0.00 H new ATOM 0 HA SER A 51 14.888 18.248 -18.025 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.903 18.171 -18.477 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.949 16.762 -18.055 1.00 0.00 H new ATOM 0 HG SER A 51 16.761 18.375 -20.413 1.00 0.00 H new ATOM 727 N ASN A 52 16.618 19.746 -15.808 1.00 0.00 N ATOM 728 CA ASN A 52 16.903 19.861 -14.381 1.00 0.00 C ATOM 729 C ASN A 52 18.127 19.033 -14.000 1.00 0.00 C ATOM 730 O ASN A 52 18.482 18.934 -12.826 1.00 0.00 O ATOM 731 CB ASN A 52 15.691 19.428 -13.548 1.00 0.00 C ATOM 732 CG ASN A 52 16.039 19.216 -12.087 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.559 18.167 -11.707 1.00 0.00 O ATOM 734 ND2 ASN A 52 15.754 20.214 -11.260 1.00 0.00 N ATOM 0 H ASN A 52 16.811 20.592 -16.345 1.00 0.00 H new ATOM 0 HA ASN A 52 17.116 20.908 -14.167 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.911 20.185 -13.627 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.282 18.505 -13.959 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.966 20.129 -10.266 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.323 21.066 -11.618 1.00 0.00 H new ATOM 741 N GLY A 53 18.774 18.443 -15.002 1.00 0.00 N ATOM 742 CA GLY A 53 19.953 17.636 -14.749 1.00 0.00 C ATOM 743 C GLY A 53 19.661 16.149 -14.792 1.00 0.00 C ATOM 744 O GLY A 53 19.900 15.435 -13.818 1.00 0.00 O ATOM 0 H GLY A 53 18.502 18.510 -15.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.717 17.874 -15.489 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.363 17.894 -13.773 1.00 0.00 H new ATOM 748 N GLU A 54 19.145 15.680 -15.924 1.00 0.00 N ATOM 749 CA GLU A 54 18.823 14.267 -16.087 1.00 0.00 C ATOM 750 C GLU A 54 19.871 13.569 -16.949 1.00 0.00 C ATOM 751 O GLU A 54 20.594 14.212 -17.709 1.00 0.00 O ATOM 752 CB GLU A 54 17.422 14.109 -16.701 1.00 0.00 C ATOM 753 CG GLU A 54 17.424 13.788 -18.190 1.00 0.00 C ATOM 754 CD GLU A 54 16.030 13.782 -18.786 1.00 0.00 C ATOM 755 OE1 GLU A 54 15.293 12.799 -18.562 1.00 0.00 O ATOM 756 OE2 GLU A 54 15.676 14.759 -19.479 1.00 0.00 O ATOM 0 H GLU A 54 18.941 16.257 -16.740 1.00 0.00 H new ATOM 0 HA GLU A 54 18.827 13.796 -15.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.893 13.317 -16.171 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.861 15.030 -16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.037 14.521 -18.715 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.887 12.814 -18.347 1.00 0.00 H new ATOM 763 N PRO A 55 19.962 12.235 -16.842 1.00 0.00 N ATOM 764 CA PRO A 55 20.922 11.445 -17.617 1.00 0.00 C ATOM 765 C PRO A 55 20.842 11.752 -19.108 1.00 0.00 C ATOM 766 O PRO A 55 19.822 11.499 -19.750 1.00 0.00 O ATOM 767 CB PRO A 55 20.500 9.999 -17.343 1.00 0.00 C ATOM 768 CG PRO A 55 19.795 10.047 -16.031 1.00 0.00 C ATOM 769 CD PRO A 55 19.131 11.396 -15.961 1.00 0.00 C ATOM 0 HA PRO A 55 21.953 11.659 -17.334 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.846 9.623 -18.129 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.364 9.336 -17.303 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.059 9.246 -15.955 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.496 9.915 -15.207 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.098 11.353 -16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 55 19.111 11.781 -14.942 1.00 0.00 H new ATOM 777 N CYS A 56 21.922 12.301 -19.654 1.00 0.00 N ATOM 778 CA CYS A 56 21.970 12.646 -21.070 1.00 0.00 C ATOM 779 C CYS A 56 21.886 11.398 -21.943 1.00 0.00 C ATOM 780 O CYS A 56 21.691 10.291 -21.441 1.00 0.00 O ATOM 781 CB CYS A 56 23.248 13.425 -21.383 1.00 0.00 C ATOM 782 SG CYS A 56 23.637 14.725 -20.167 1.00 0.00 S ATOM 0 H CYS A 56 22.775 12.516 -19.138 1.00 0.00 H new ATOM 0 HA CYS A 56 21.108 13.275 -21.294 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.084 12.727 -21.434 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.152 13.880 -22.369 1.00 0.00 H new ATOM 787 N VAL A 57 22.024 11.585 -23.251 1.00 0.00 N ATOM 788 CA VAL A 57 21.955 10.477 -24.193 1.00 0.00 C ATOM 789 C VAL A 57 23.067 10.561 -25.234 1.00 0.00 C ATOM 790 O VAL A 57 22.807 10.632 -26.435 1.00 0.00 O ATOM 791 CB VAL A 57 20.592 10.443 -24.911 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.490 11.572 -25.924 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.374 9.094 -25.579 1.00 0.00 C ATOM 0 H VAL A 57 22.184 12.495 -23.682 1.00 0.00 H new ATOM 0 HA VAL A 57 22.080 9.561 -23.615 1.00 0.00 H new ATOM 0 HB VAL A 57 19.808 10.585 -24.167 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.520 11.530 -26.420 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.595 12.529 -25.414 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.281 11.468 -26.666 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.406 9.089 -26.081 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.163 8.918 -26.310 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.396 8.307 -24.825 1.00 0.00 H new ATOM 803 N LEU A 58 24.311 10.551 -24.767 1.00 0.00 N ATOM 804 CA LEU A 58 25.460 10.625 -25.663 1.00 0.00 C ATOM 805 C LEU A 58 26.254 9.322 -25.649 1.00 0.00 C ATOM 806 O LEU A 58 26.058 8.472 -24.781 1.00 0.00 O ATOM 807 CB LEU A 58 26.373 11.796 -25.280 1.00 0.00 C ATOM 808 CG LEU A 58 26.185 12.340 -23.862 1.00 0.00 C ATOM 809 CD1 LEU A 58 24.797 12.938 -23.695 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.428 11.245 -22.833 1.00 0.00 C ATOM 0 H LEU A 58 24.549 10.493 -23.777 1.00 0.00 H new ATOM 0 HA LEU A 58 25.081 10.788 -26.672 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.409 11.479 -25.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.209 12.609 -25.987 1.00 0.00 H new ATOM 0 HG LEU A 58 26.917 13.131 -23.699 1.00 0.00 H new ATOM 0 HD11 LEU A 58 24.685 13.319 -22.680 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.665 13.754 -24.405 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.045 12.170 -23.880 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.290 11.650 -21.831 1.00 0.00 H new ATOM 0 HD22 LEU A 58 25.722 10.430 -22.995 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.446 10.869 -22.935 1.00 0.00 H new ATOM 822 N PRO A 59 27.162 9.149 -26.622 1.00 0.00 N ATOM 823 CA PRO A 59 27.408 10.152 -27.665 1.00 0.00 C ATOM 824 C PRO A 59 26.235 10.287 -28.629 1.00 0.00 C ATOM 825 O PRO A 59 25.745 9.297 -29.172 1.00 0.00 O ATOM 826 CB PRO A 59 28.643 9.615 -28.393 1.00 0.00 C ATOM 827 CG PRO A 59 28.622 8.147 -28.146 1.00 0.00 C ATOM 828 CD PRO A 59 28.023 7.964 -26.779 1.00 0.00 C ATOM 0 HA PRO A 59 27.545 11.149 -27.246 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.601 9.837 -29.459 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.557 10.068 -28.008 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.030 7.633 -28.903 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.628 7.730 -28.190 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.450 7.039 -26.712 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.791 7.920 -26.007 1.00 0.00 H new ATOM 836 N PHE A 60 25.788 11.523 -28.834 1.00 0.00 N ATOM 837 CA PHE A 60 24.671 11.798 -29.728 1.00 0.00 C ATOM 838 C PHE A 60 25.141 12.549 -30.970 1.00 0.00 C ATOM 839 O PHE A 60 26.338 12.739 -31.177 1.00 0.00 O ATOM 840 CB PHE A 60 23.609 12.622 -29.001 1.00 0.00 C ATOM 841 CG PHE A 60 24.175 13.809 -28.277 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.854 14.799 -28.970 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.031 13.935 -26.904 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.380 15.891 -28.307 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.555 15.025 -26.236 1.00 0.00 C ATOM 846 CZ PHE A 60 25.230 16.005 -26.938 1.00 0.00 C ATOM 0 H PHE A 60 26.185 12.351 -28.391 1.00 0.00 H new ATOM 0 HA PHE A 60 24.242 10.846 -30.039 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.867 12.964 -29.722 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.088 11.983 -28.287 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.973 14.716 -30.040 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.503 13.173 -26.350 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.908 16.655 -28.858 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.437 15.111 -25.166 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.640 16.858 -26.418 1.00 0.00 H new ATOM 856 N THR A 61 24.190 12.982 -31.789 1.00 0.00 N ATOM 857 CA THR A 61 24.507 13.716 -33.006 1.00 0.00 C ATOM 858 C THR A 61 23.720 15.021 -33.071 1.00 0.00 C ATOM 859 O THR A 61 22.505 15.032 -32.878 1.00 0.00 O ATOM 860 CB THR A 61 24.202 12.881 -34.264 1.00 0.00 C ATOM 861 OG1 THR A 61 24.105 11.495 -33.918 1.00 0.00 O ATOM 862 CG2 THR A 61 25.282 13.070 -35.318 1.00 0.00 C ATOM 0 H THR A 61 23.193 12.837 -31.632 1.00 0.00 H new ATOM 0 HA THR A 61 25.575 13.934 -32.979 1.00 0.00 H new ATOM 0 HB THR A 61 23.252 13.222 -34.677 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.909 10.970 -34.722 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.043 12.470 -36.196 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.334 14.121 -35.601 1.00 0.00 H new ATOM 0 HG23 THR A 61 26.244 12.754 -34.914 1.00 0.00 H new ATOM 870 N TYR A 62 24.419 16.118 -33.342 1.00 0.00 N ATOM 871 CA TYR A 62 23.775 17.422 -33.426 1.00 0.00 C ATOM 872 C TYR A 62 24.470 18.311 -34.453 1.00 0.00 C ATOM 873 O TYR A 62 25.693 18.455 -34.443 1.00 0.00 O ATOM 874 CB TYR A 62 23.777 18.105 -32.057 1.00 0.00 C ATOM 875 CG TYR A 62 23.159 19.485 -32.067 1.00 0.00 C ATOM 876 CD1 TYR A 62 21.782 19.651 -32.002 1.00 0.00 C ATOM 877 CD2 TYR A 62 23.954 20.621 -32.145 1.00 0.00 C ATOM 878 CE1 TYR A 62 21.214 20.912 -32.013 1.00 0.00 C ATOM 879 CE2 TYR A 62 23.395 21.885 -32.156 1.00 0.00 C ATOM 880 CZ TYR A 62 22.025 22.024 -32.090 1.00 0.00 C ATOM 881 OH TYR A 62 21.463 23.280 -32.101 1.00 0.00 O ATOM 0 H TYR A 62 25.426 16.130 -33.506 1.00 0.00 H new ATOM 0 HA TYR A 62 22.745 17.268 -33.746 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.236 17.479 -31.347 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.804 18.179 -31.699 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.144 18.781 -31.942 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.027 20.515 -32.198 1.00 0.00 H new ATOM 0 HE1 TYR A 62 20.141 21.025 -31.962 1.00 0.00 H new ATOM 0 HE2 TYR A 62 24.028 22.758 -32.216 1.00 0.00 H new ATOM 0 HH TYR A 62 20.623 23.267 -31.596 1.00 0.00 H new ATOM 891 N ASN A 63 23.677 18.907 -35.338 1.00 0.00 N ATOM 892 CA ASN A 63 24.208 19.787 -36.373 1.00 0.00 C ATOM 893 C ASN A 63 24.966 19.001 -37.439 1.00 0.00 C ATOM 894 O ASN A 63 25.509 19.581 -38.379 1.00 0.00 O ATOM 895 CB ASN A 63 25.125 20.838 -35.751 1.00 0.00 C ATOM 896 CG ASN A 63 25.089 22.155 -36.499 1.00 0.00 C ATOM 897 OD1 ASN A 63 25.214 22.191 -37.723 1.00 0.00 O ATOM 898 ND2 ASN A 63 24.916 23.247 -35.765 1.00 0.00 N ATOM 0 H ASN A 63 22.663 18.796 -35.359 1.00 0.00 H new ATOM 0 HA ASN A 63 23.365 20.282 -36.854 1.00 0.00 H new ATOM 0 HB2 ASN A 63 24.831 21.004 -34.715 1.00 0.00 H new ATOM 0 HB3 ASN A 63 26.147 20.460 -35.736 1.00 0.00 H new ATOM 0 HD21 ASN A 63 24.882 24.163 -36.213 1.00 0.00 H new ATOM 0 HD22 ASN A 63 24.817 23.171 -34.753 1.00 0.00 H new ATOM 905 N GLY A 64 24.999 17.681 -37.290 1.00 0.00 N ATOM 906 CA GLY A 64 25.694 16.849 -38.254 1.00 0.00 C ATOM 907 C GLY A 64 26.917 16.170 -37.670 1.00 0.00 C ATOM 908 O GLY A 64 27.441 15.219 -38.249 1.00 0.00 O ATOM 0 H GLY A 64 24.559 17.174 -36.522 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.009 16.090 -38.633 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.995 17.460 -39.105 1.00 0.00 H new ATOM 912 N ARG A 65 27.374 16.652 -36.517 1.00 0.00 N ATOM 913 CA ARG A 65 28.543 16.072 -35.864 1.00 0.00 C ATOM 914 C ARG A 65 28.123 15.213 -34.678 1.00 0.00 C ATOM 915 O ARG A 65 26.957 14.845 -34.553 1.00 0.00 O ATOM 916 CB ARG A 65 29.513 17.166 -35.413 1.00 0.00 C ATOM 917 CG ARG A 65 28.970 18.055 -34.308 1.00 0.00 C ATOM 918 CD ARG A 65 29.431 19.493 -34.479 1.00 0.00 C ATOM 919 NE ARG A 65 28.317 20.439 -34.462 1.00 0.00 N ATOM 920 CZ ARG A 65 28.459 21.746 -34.656 1.00 0.00 C ATOM 921 NH1 ARG A 65 29.659 22.253 -34.905 1.00 0.00 N ATOM 922 NH2 ARG A 65 27.405 22.547 -34.605 1.00 0.00 N ATOM 0 H ARG A 65 26.956 17.438 -36.019 1.00 0.00 H new ATOM 0 HA ARG A 65 29.055 15.438 -36.588 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.436 16.700 -35.069 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.770 17.787 -36.272 1.00 0.00 H new ATOM 0 HG2 ARG A 65 27.881 18.017 -34.310 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.300 17.678 -33.340 1.00 0.00 H new ATOM 0 HD2 ARG A 65 30.131 19.745 -33.682 1.00 0.00 H new ATOM 0 HD3 ARG A 65 29.972 19.589 -35.420 1.00 0.00 H new ATOM 0 HE ARG A 65 27.379 20.076 -34.292 1.00 0.00 H new ATOM 0 HH11 ARG A 65 30.473 21.640 -34.948 1.00 0.00 H new ATOM 0 HH12 ARG A 65 29.768 23.256 -35.054 1.00 0.00 H new ATOM 0 HH21 ARG A 65 26.480 22.161 -34.416 1.00 0.00 H new ATOM 0 HH22 ARG A 65 27.519 23.550 -34.754 1.00 0.00 H new ATOM 936 N THR A 66 29.076 14.887 -33.812 1.00 0.00 N ATOM 937 CA THR A 66 28.787 14.057 -32.648 1.00 0.00 C ATOM 938 C THR A 66 29.566 14.509 -31.418 1.00 0.00 C ATOM 939 O THR A 66 30.709 14.957 -31.519 1.00 0.00 O ATOM 940 CB THR A 66 29.114 12.577 -32.928 1.00 0.00 C ATOM 941 OG1 THR A 66 28.325 12.099 -34.024 1.00 0.00 O ATOM 942 CG2 THR A 66 28.853 11.720 -31.698 1.00 0.00 C ATOM 0 H THR A 66 30.049 15.182 -33.893 1.00 0.00 H new ATOM 0 HA THR A 66 27.721 14.166 -32.448 1.00 0.00 H new ATOM 0 HB THR A 66 30.171 12.505 -33.183 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.540 11.159 -34.196 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.091 10.680 -31.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.477 12.066 -30.874 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.803 11.799 -31.416 1.00 0.00 H new ATOM 950 N PHE A 67 28.938 14.378 -30.255 1.00 0.00 N ATOM 951 CA PHE A 67 29.561 14.759 -28.994 1.00 0.00 C ATOM 952 C PHE A 67 29.212 13.751 -27.902 1.00 0.00 C ATOM 953 O PHE A 67 28.040 13.441 -27.689 1.00 0.00 O ATOM 954 CB PHE A 67 29.107 16.157 -28.563 1.00 0.00 C ATOM 955 CG PHE A 67 28.698 17.053 -29.699 1.00 0.00 C ATOM 956 CD1 PHE A 67 27.671 16.690 -30.557 1.00 0.00 C ATOM 957 CD2 PHE A 67 29.338 18.266 -29.901 1.00 0.00 C ATOM 958 CE1 PHE A 67 27.291 17.522 -31.593 1.00 0.00 C ATOM 959 CE2 PHE A 67 28.963 19.099 -30.937 1.00 0.00 C ATOM 960 CZ PHE A 67 27.939 18.728 -31.783 1.00 0.00 C ATOM 0 H PHE A 67 27.992 14.008 -30.160 1.00 0.00 H new ATOM 0 HA PHE A 67 30.641 14.769 -29.143 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.268 16.057 -27.874 1.00 0.00 H new ATOM 0 HB3 PHE A 67 29.917 16.635 -28.012 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.163 15.748 -30.414 1.00 0.00 H new ATOM 0 HD2 PHE A 67 30.139 18.563 -29.241 1.00 0.00 H new ATOM 0 HE1 PHE A 67 26.488 17.230 -32.254 1.00 0.00 H new ATOM 0 HE2 PHE A 67 29.471 20.040 -31.084 1.00 0.00 H new ATOM 0 HZ PHE A 67 27.644 19.379 -32.593 1.00 0.00 H new ATOM 970 N TYR A 68 30.228 13.243 -27.210 1.00 0.00 N ATOM 971 CA TYR A 68 30.007 12.276 -26.142 1.00 0.00 C ATOM 972 C TYR A 68 29.564 12.973 -24.859 1.00 0.00 C ATOM 973 O TYR A 68 29.396 12.332 -23.821 1.00 0.00 O ATOM 974 CB TYR A 68 31.277 11.467 -25.875 1.00 0.00 C ATOM 975 CG TYR A 68 31.686 10.561 -27.014 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.870 11.061 -28.297 1.00 0.00 C ATOM 977 CD2 TYR A 68 31.910 9.208 -26.800 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.265 10.237 -29.333 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.304 8.380 -27.832 1.00 0.00 C ATOM 980 CZ TYR A 68 32.480 8.899 -29.095 1.00 0.00 C ATOM 981 OH TYR A 68 32.876 8.076 -30.124 1.00 0.00 O ATOM 0 H TYR A 68 31.206 13.484 -27.369 1.00 0.00 H new ATOM 0 HA TYR A 68 29.216 11.600 -26.465 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.095 12.155 -25.662 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.128 10.862 -24.980 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.702 12.111 -28.487 1.00 0.00 H new ATOM 0 HD2 TYR A 68 31.774 8.797 -25.811 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.404 10.641 -30.325 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.474 7.329 -27.649 1.00 0.00 H new ATOM 0 HH TYR A 68 32.611 8.472 -30.980 1.00 0.00 H new ATOM 991 N SER A 69 29.383 14.290 -24.931 1.00 0.00 N ATOM 992 CA SER A 69 28.966 15.063 -23.768 1.00 0.00 C ATOM 993 C SER A 69 28.186 16.308 -24.174 1.00 0.00 C ATOM 994 O SER A 69 27.639 16.385 -25.275 1.00 0.00 O ATOM 995 CB SER A 69 30.185 15.468 -22.937 1.00 0.00 C ATOM 996 OG SER A 69 29.881 15.468 -21.553 1.00 0.00 O ATOM 0 H SER A 69 29.518 14.840 -25.779 1.00 0.00 H new ATOM 0 HA SER A 69 28.310 14.430 -23.170 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.007 14.779 -23.132 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.522 16.460 -23.239 1.00 0.00 H new ATOM 0 HG SER A 69 30.677 15.728 -21.043 1.00 0.00 H new ATOM 1002 N CYS A 70 28.140 17.277 -23.268 1.00 0.00 N ATOM 1003 CA CYS A 70 27.428 18.527 -23.502 1.00 0.00 C ATOM 1004 C CYS A 70 28.092 19.346 -24.604 1.00 0.00 C ATOM 1005 O CYS A 70 29.085 18.924 -25.197 1.00 0.00 O ATOM 1006 CB CYS A 70 27.373 19.343 -22.210 1.00 0.00 C ATOM 1007 SG CYS A 70 27.203 18.334 -20.703 1.00 0.00 S ATOM 0 H CYS A 70 28.592 17.219 -22.356 1.00 0.00 H new ATOM 0 HA CYS A 70 26.416 18.284 -23.825 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.280 19.943 -22.133 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.535 20.037 -22.266 1.00 0.00 H new ATOM 1012 N THR A 71 27.532 20.523 -24.871 1.00 0.00 N ATOM 1013 CA THR A 71 28.063 21.407 -25.900 1.00 0.00 C ATOM 1014 C THR A 71 27.265 22.705 -25.971 1.00 0.00 C ATOM 1015 O THR A 71 26.184 22.812 -25.391 1.00 0.00 O ATOM 1016 CB THR A 71 28.047 20.733 -27.283 1.00 0.00 C ATOM 1017 OG1 THR A 71 28.686 21.577 -28.247 1.00 0.00 O ATOM 1018 CG2 THR A 71 26.622 20.440 -27.725 1.00 0.00 C ATOM 0 H THR A 71 26.710 20.885 -24.388 1.00 0.00 H new ATOM 0 HA THR A 71 29.094 21.630 -25.625 1.00 0.00 H new ATOM 0 HB THR A 71 28.589 19.790 -27.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 29.425 22.059 -27.821 1.00 0.00 H new ATOM 0 HG21 THR A 71 26.636 19.964 -28.705 1.00 0.00 H new ATOM 0 HG22 THR A 71 26.147 19.774 -27.005 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.060 21.372 -27.782 1.00 0.00 H new ATOM 1026 N THR A 72 27.802 23.686 -26.684 1.00 0.00 N ATOM 1027 CA THR A 72 27.140 24.976 -26.829 1.00 0.00 C ATOM 1028 C THR A 72 26.959 25.337 -28.302 1.00 0.00 C ATOM 1029 O THR A 72 26.902 26.513 -28.660 1.00 0.00 O ATOM 1030 CB THR A 72 27.938 26.095 -26.135 1.00 0.00 C ATOM 1031 OG1 THR A 72 29.334 25.950 -26.420 1.00 0.00 O ATOM 1032 CG2 THR A 72 27.720 26.063 -24.631 1.00 0.00 C ATOM 0 H THR A 72 28.695 23.613 -27.171 1.00 0.00 H new ATOM 0 HA THR A 72 26.163 24.887 -26.355 1.00 0.00 H new ATOM 0 HB THR A 72 27.585 27.052 -26.518 1.00 0.00 H new ATOM 0 HG1 THR A 72 29.835 26.666 -25.977 1.00 0.00 H new ATOM 0 HG21 THR A 72 28.294 26.863 -24.163 1.00 0.00 H new ATOM 0 HG22 THR A 72 26.661 26.202 -24.414 1.00 0.00 H new ATOM 0 HG23 THR A 72 28.049 25.102 -24.236 1.00 0.00 H new ATOM 1040 N GLU A 73 26.877 24.317 -29.150 1.00 0.00 N ATOM 1041 CA GLU A 73 26.711 24.523 -30.586 1.00 0.00 C ATOM 1042 C GLU A 73 25.237 24.652 -30.962 1.00 0.00 C ATOM 1043 O GLU A 73 24.889 24.682 -32.143 1.00 0.00 O ATOM 1044 CB GLU A 73 27.342 23.366 -31.361 1.00 0.00 C ATOM 1045 CG GLU A 73 28.857 23.450 -31.455 1.00 0.00 C ATOM 1046 CD GLU A 73 29.476 24.135 -30.252 1.00 0.00 C ATOM 1047 OE1 GLU A 73 29.762 23.441 -29.254 1.00 0.00 O ATOM 1048 OE2 GLU A 73 29.673 25.368 -30.309 1.00 0.00 O ATOM 0 H GLU A 73 26.923 23.338 -28.868 1.00 0.00 H new ATOM 0 HA GLU A 73 27.213 25.454 -30.849 1.00 0.00 H new ATOM 0 HB2 GLU A 73 27.068 22.426 -30.881 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.925 23.344 -32.368 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.268 22.445 -31.548 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.132 23.992 -32.360 1.00 0.00 H new ATOM 1055 N GLY A 74 24.377 24.724 -29.955 1.00 0.00 N ATOM 1056 CA GLY A 74 22.953 24.846 -30.205 1.00 0.00 C ATOM 1057 C GLY A 74 22.394 26.184 -29.763 1.00 0.00 C ATOM 1058 O GLY A 74 21.279 26.551 -30.136 1.00 0.00 O ATOM 0 H GLY A 74 24.639 24.700 -28.970 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.762 24.711 -31.270 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.427 24.047 -29.683 1.00 0.00 H new ATOM 1122 N HIS A 79 26.117 28.336 -22.537 1.00 0.00 N ATOM 1123 CA HIS A 79 25.831 27.344 -21.507 1.00 0.00 C ATOM 1124 C HIS A 79 25.826 25.937 -22.092 1.00 0.00 C ATOM 1125 O HIS A 79 25.041 25.627 -22.986 1.00 0.00 O ATOM 1126 CB HIS A 79 24.488 27.636 -20.839 1.00 0.00 C ATOM 1127 CG HIS A 79 24.118 29.085 -20.846 1.00 0.00 C ATOM 1128 ND1 HIS A 79 22.846 29.537 -21.125 1.00 0.00 N ATOM 1129 CD2 HIS A 79 24.863 30.191 -20.606 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.823 30.856 -21.059 1.00 0.00 C ATOM 1131 NE2 HIS A 79 24.035 31.277 -20.746 1.00 0.00 N ATOM 0 HA HIS A 79 26.619 27.404 -20.757 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.708 27.068 -21.347 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.520 27.283 -19.808 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.912 30.214 -20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 79 21.961 31.483 -21.231 1.00 0.00 H new ATOM 0 HE2 HIS A 79 24.311 32.252 -20.627 1.00 0.00 H new ATOM 1140 N LEU A 80 26.707 25.087 -21.579 1.00 0.00 N ATOM 1141 CA LEU A 80 26.803 23.712 -22.050 1.00 0.00 C ATOM 1142 C LEU A 80 25.499 22.965 -21.804 1.00 0.00 C ATOM 1143 O LEU A 80 25.000 22.922 -20.680 1.00 0.00 O ATOM 1144 CB LEU A 80 27.952 22.987 -21.352 1.00 0.00 C ATOM 1145 CG LEU A 80 29.314 23.119 -22.033 1.00 0.00 C ATOM 1146 CD1 LEU A 80 29.838 24.540 -21.910 1.00 0.00 C ATOM 1147 CD2 LEU A 80 30.302 22.130 -21.434 1.00 0.00 C ATOM 0 H LEU A 80 27.365 25.326 -20.837 1.00 0.00 H new ATOM 0 HA LEU A 80 26.997 23.736 -23.122 1.00 0.00 H new ATOM 0 HB2 LEU A 80 28.035 23.367 -20.334 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.701 21.929 -21.278 1.00 0.00 H new ATOM 0 HG LEU A 80 29.195 22.891 -23.092 1.00 0.00 H new ATOM 0 HD11 LEU A 80 30.808 24.614 -22.401 1.00 0.00 H new ATOM 0 HD12 LEU A 80 29.138 25.228 -22.384 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.944 24.799 -20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 80 31.268 22.235 -21.929 1.00 0.00 H new ATOM 0 HD22 LEU A 80 30.416 22.330 -20.369 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.931 21.115 -21.575 1.00 0.00 H new ATOM 1159 N TRP A 81 24.956 22.375 -22.861 1.00 0.00 N ATOM 1160 CA TRP A 81 23.711 21.623 -22.763 1.00 0.00 C ATOM 1161 C TRP A 81 23.879 20.231 -23.364 1.00 0.00 C ATOM 1162 O TRP A 81 24.591 20.055 -24.352 1.00 0.00 O ATOM 1163 CB TRP A 81 22.588 22.366 -23.486 1.00 0.00 C ATOM 1164 CG TRP A 81 22.850 22.546 -24.949 1.00 0.00 C ATOM 1165 CD1 TRP A 81 23.312 23.672 -25.567 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.669 21.567 -25.979 1.00 0.00 C ATOM 1167 NE1 TRP A 81 23.426 23.455 -26.918 1.00 0.00 N ATOM 1168 CE2 TRP A 81 23.038 22.170 -27.196 1.00 0.00 C ATOM 1169 CE3 TRP A 81 22.231 20.240 -25.991 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.982 21.490 -28.412 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 22.176 19.566 -27.197 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.551 20.192 -28.393 1.00 0.00 C ATOM 0 H TRP A 81 25.359 22.403 -23.798 1.00 0.00 H new ATOM 0 HA TRP A 81 23.452 21.522 -21.709 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.655 21.818 -23.355 1.00 0.00 H new ATOM 0 HB3 TRP A 81 22.451 23.344 -23.024 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.553 24.598 -25.066 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.747 24.139 -27.603 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.940 19.749 -25.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.269 21.971 -29.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.838 18.540 -27.217 1.00 0.00 H new ATOM 0 HH2 TRP A 81 22.499 19.638 -29.319 1.00 0.00 H new ATOM 1183 N CYS A 82 23.221 19.246 -22.765 1.00 0.00 N ATOM 1184 CA CYS A 82 23.302 17.874 -23.249 1.00 0.00 C ATOM 1185 C CYS A 82 21.923 17.356 -23.643 1.00 0.00 C ATOM 1186 O CYS A 82 20.905 17.824 -23.136 1.00 0.00 O ATOM 1187 CB CYS A 82 23.921 16.969 -22.183 1.00 0.00 C ATOM 1188 SG CYS A 82 22.740 16.380 -20.927 1.00 0.00 S ATOM 0 H CYS A 82 22.627 19.371 -21.945 1.00 0.00 H new ATOM 0 HA CYS A 82 23.939 17.862 -24.133 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.374 16.107 -22.673 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.725 17.511 -21.684 1.00 0.00 H new ATOM 1193 N SER A 83 21.899 16.390 -24.555 1.00 0.00 N ATOM 1194 CA SER A 83 20.645 15.812 -25.022 1.00 0.00 C ATOM 1195 C SER A 83 20.263 14.590 -24.194 1.00 0.00 C ATOM 1196 O SER A 83 21.030 13.634 -24.089 1.00 0.00 O ATOM 1197 CB SER A 83 20.757 15.430 -26.499 1.00 0.00 C ATOM 1198 OG SER A 83 20.658 14.027 -26.674 1.00 0.00 O ATOM 0 H SER A 83 22.733 15.991 -24.985 1.00 0.00 H new ATOM 0 HA SER A 83 19.863 16.562 -24.905 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.970 15.926 -27.067 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.708 15.783 -26.898 1.00 0.00 H new ATOM 0 HG SER A 83 21.557 13.641 -26.734 1.00 0.00 H new ATOM 1204 N THR A 84 19.070 14.629 -23.610 1.00 0.00 N ATOM 1205 CA THR A 84 18.579 13.527 -22.794 1.00 0.00 C ATOM 1206 C THR A 84 17.868 12.485 -23.653 1.00 0.00 C ATOM 1207 O THR A 84 17.488 11.418 -23.168 1.00 0.00 O ATOM 1208 CB THR A 84 17.612 14.025 -21.703 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.361 14.399 -22.292 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.201 15.214 -20.953 1.00 0.00 C ATOM 0 H THR A 84 18.424 15.415 -23.688 1.00 0.00 H new ATOM 0 HA THR A 84 19.447 13.071 -22.318 1.00 0.00 H new ATOM 0 HB THR A 84 17.453 13.213 -20.993 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.706 14.575 -21.585 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.499 15.546 -20.189 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.138 14.919 -20.481 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.388 16.029 -21.652 1.00 0.00 H new ATOM 1218 N THR A 85 17.696 12.801 -24.934 1.00 0.00 N ATOM 1219 CA THR A 85 17.036 11.899 -25.869 1.00 0.00 C ATOM 1220 C THR A 85 17.760 11.889 -27.212 1.00 0.00 C ATOM 1221 O THR A 85 17.901 12.928 -27.857 1.00 0.00 O ATOM 1222 CB THR A 85 15.566 12.304 -26.097 1.00 0.00 C ATOM 1223 OG1 THR A 85 14.862 12.314 -24.849 1.00 0.00 O ATOM 1224 CG2 THR A 85 14.882 11.349 -27.065 1.00 0.00 C ATOM 0 H THR A 85 18.007 13.680 -25.348 1.00 0.00 H new ATOM 0 HA THR A 85 17.066 10.902 -25.429 1.00 0.00 H new ATOM 0 HB THR A 85 15.552 13.304 -26.531 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.929 12.574 -25.002 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.846 11.657 -27.209 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.402 11.367 -28.023 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.907 10.338 -26.658 1.00 0.00 H new ATOM 1232 N SER A 86 18.218 10.712 -27.628 1.00 0.00 N ATOM 1233 CA SER A 86 18.926 10.576 -28.895 1.00 0.00 C ATOM 1234 C SER A 86 18.318 11.491 -29.951 1.00 0.00 C ATOM 1235 O SER A 86 19.022 12.022 -30.811 1.00 0.00 O ATOM 1236 CB SER A 86 18.888 9.125 -29.374 1.00 0.00 C ATOM 1237 OG SER A 86 18.591 8.242 -28.305 1.00 0.00 O ATOM 0 H SER A 86 18.112 9.841 -27.107 1.00 0.00 H new ATOM 0 HA SER A 86 19.964 10.868 -28.738 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.138 9.017 -30.158 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.849 8.859 -29.813 1.00 0.00 H new ATOM 0 HG SER A 86 18.571 7.320 -28.638 1.00 0.00 H new ATOM 1243 N ASN A 87 17.005 11.676 -29.874 1.00 0.00 N ATOM 1244 CA ASN A 87 16.295 12.532 -30.815 1.00 0.00 C ATOM 1245 C ASN A 87 15.913 13.854 -30.160 1.00 0.00 C ATOM 1246 O ASN A 87 14.741 14.103 -29.879 1.00 0.00 O ATOM 1247 CB ASN A 87 15.041 11.826 -31.334 1.00 0.00 C ATOM 1248 CG ASN A 87 15.050 11.665 -32.841 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.108 11.643 -33.469 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.864 11.554 -33.429 1.00 0.00 N ATOM 0 H ASN A 87 16.410 11.243 -29.168 1.00 0.00 H new ATOM 0 HA ASN A 87 16.959 12.739 -31.654 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.961 10.844 -30.867 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.159 12.393 -31.037 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.805 11.445 -34.441 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.012 11.578 -32.868 1.00 0.00 H new ATOM 1257 N TYR A 88 16.909 14.701 -29.920 1.00 0.00 N ATOM 1258 CA TYR A 88 16.676 15.997 -29.300 1.00 0.00 C ATOM 1259 C TYR A 88 16.006 16.943 -30.289 1.00 0.00 C ATOM 1260 O TYR A 88 15.424 17.956 -29.901 1.00 0.00 O ATOM 1261 CB TYR A 88 17.998 16.594 -28.807 1.00 0.00 C ATOM 1262 CG TYR A 88 17.989 18.102 -28.704 1.00 0.00 C ATOM 1263 CD1 TYR A 88 18.365 18.892 -29.783 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.604 18.735 -27.530 1.00 0.00 C ATOM 1265 CE1 TYR A 88 18.359 20.270 -29.695 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.594 20.114 -27.434 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.973 20.877 -28.518 1.00 0.00 C ATOM 1268 OH TYR A 88 17.963 22.250 -28.427 1.00 0.00 O ATOM 0 H TYR A 88 17.885 14.511 -30.146 1.00 0.00 H new ATOM 0 HA TYR A 88 16.014 15.861 -28.445 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.232 16.174 -27.829 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.797 16.291 -29.484 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.667 18.420 -30.706 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.308 18.141 -26.678 1.00 0.00 H new ATOM 0 HE1 TYR A 88 18.655 20.869 -30.543 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.291 20.592 -26.514 1.00 0.00 H new ATOM 0 HH TYR A 88 17.037 22.570 -28.417 1.00 0.00 H new ATOM 1278 N GLU A 89 16.089 16.599 -31.569 1.00 0.00 N ATOM 1279 CA GLU A 89 15.487 17.412 -32.615 1.00 0.00 C ATOM 1280 C GLU A 89 13.980 17.184 -32.682 1.00 0.00 C ATOM 1281 O GLU A 89 13.276 17.842 -33.448 1.00 0.00 O ATOM 1282 CB GLU A 89 16.126 17.094 -33.968 1.00 0.00 C ATOM 1283 CG GLU A 89 17.574 17.544 -34.077 1.00 0.00 C ATOM 1284 CD GLU A 89 17.702 19.009 -34.445 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.664 19.647 -34.715 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.843 19.519 -34.462 1.00 0.00 O ATOM 0 H GLU A 89 16.567 15.763 -31.906 1.00 0.00 H new ATOM 0 HA GLU A 89 15.666 18.460 -32.375 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.074 16.019 -34.141 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.545 17.573 -34.756 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.079 17.366 -33.127 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.083 16.939 -34.827 1.00 0.00 H new ATOM 1293 N GLN A 90 13.491 16.246 -31.873 1.00 0.00 N ATOM 1294 CA GLN A 90 12.068 15.930 -31.839 1.00 0.00 C ATOM 1295 C GLN A 90 11.509 16.115 -30.432 1.00 0.00 C ATOM 1296 O GLN A 90 10.446 16.711 -30.247 1.00 0.00 O ATOM 1297 CB GLN A 90 11.838 14.493 -32.325 1.00 0.00 C ATOM 1298 CG GLN A 90 10.622 13.816 -31.709 1.00 0.00 C ATOM 1299 CD GLN A 90 9.314 14.381 -32.225 1.00 0.00 C ATOM 1300 OE1 GLN A 90 8.877 14.055 -33.329 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.682 15.235 -31.428 1.00 0.00 N ATOM 0 H GLN A 90 14.061 15.693 -31.233 1.00 0.00 H new ATOM 0 HA GLN A 90 11.543 16.614 -32.505 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.726 14.501 -33.409 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.724 13.899 -32.101 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.660 12.747 -31.921 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.659 13.928 -30.625 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.081 15.477 -30.521 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.798 15.649 -31.723 1.00 0.00 H new ATOM 1310 N ASP A 91 12.230 15.599 -29.445 1.00 0.00 N ATOM 1311 CA ASP A 91 11.807 15.703 -28.051 1.00 0.00 C ATOM 1312 C ASP A 91 12.079 17.100 -27.506 1.00 0.00 C ATOM 1313 O ASP A 91 11.260 17.667 -26.782 1.00 0.00 O ATOM 1314 CB ASP A 91 12.531 14.661 -27.196 1.00 0.00 C ATOM 1315 CG ASP A 91 11.568 13.755 -26.454 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.084 12.777 -27.061 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.298 14.023 -25.264 1.00 0.00 O ATOM 0 H ASP A 91 13.111 15.104 -29.582 1.00 0.00 H new ATOM 0 HA ASP A 91 10.734 15.516 -28.008 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.177 14.057 -27.833 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.176 15.168 -26.478 1.00 0.00 H new ATOM 1322 N GLN A 92 13.234 17.653 -27.862 1.00 0.00 N ATOM 1323 CA GLN A 92 13.617 18.985 -27.412 1.00 0.00 C ATOM 1324 C GLN A 92 14.013 18.975 -25.939 1.00 0.00 C ATOM 1325 O GLN A 92 13.906 19.990 -25.251 1.00 0.00 O ATOM 1326 CB GLN A 92 12.467 19.969 -27.634 1.00 0.00 C ATOM 1327 CG GLN A 92 12.928 21.398 -27.872 1.00 0.00 C ATOM 1328 CD GLN A 92 14.126 21.476 -28.798 1.00 0.00 C ATOM 1329 OE1 GLN A 92 15.102 22.170 -28.514 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.056 20.760 -29.915 1.00 0.00 N ATOM 0 H GLN A 92 13.922 17.198 -28.462 1.00 0.00 H new ATOM 0 HA GLN A 92 14.480 19.302 -27.997 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.877 19.639 -28.489 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.809 19.948 -26.765 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.107 21.975 -28.297 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.181 21.858 -26.917 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.227 20.199 -30.110 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.831 20.772 -30.578 1.00 0.00 H new ATOM 1339 N LYS A 93 14.475 17.824 -25.460 1.00 0.00 N ATOM 1340 CA LYS A 93 14.890 17.690 -24.069 1.00 0.00 C ATOM 1341 C LYS A 93 16.404 17.816 -23.941 1.00 0.00 C ATOM 1342 O LYS A 93 17.153 16.988 -24.461 1.00 0.00 O ATOM 1343 CB LYS A 93 14.428 16.350 -23.498 1.00 0.00 C ATOM 1344 CG LYS A 93 12.956 16.327 -23.121 1.00 0.00 C ATOM 1345 CD LYS A 93 12.128 17.192 -24.057 1.00 0.00 C ATOM 1346 CE LYS A 93 10.644 16.884 -23.936 1.00 0.00 C ATOM 1347 NZ LYS A 93 9.815 18.120 -23.958 1.00 0.00 N ATOM 0 H LYS A 93 14.571 16.973 -26.014 1.00 0.00 H new ATOM 0 HA LYS A 93 14.425 18.495 -23.500 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.619 15.566 -24.231 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.024 16.115 -22.617 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.588 15.302 -23.150 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.836 16.680 -22.097 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.302 18.244 -23.830 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.451 17.030 -25.085 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.342 16.230 -24.754 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.461 16.341 -23.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.810 17.866 -23.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.085 18.733 -23.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.970 18.626 -24.853 1.00 0.00 H new ATOM 1361 N TYR A 94 16.847 18.859 -23.248 1.00 0.00 N ATOM 1362 CA TYR A 94 18.272 19.098 -23.052 1.00 0.00 C ATOM 1363 C TYR A 94 18.569 19.474 -21.604 1.00 0.00 C ATOM 1364 O TYR A 94 17.678 19.896 -20.866 1.00 0.00 O ATOM 1365 CB TYR A 94 18.757 20.204 -23.990 1.00 0.00 C ATOM 1366 CG TYR A 94 18.449 21.600 -23.493 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.151 22.150 -22.429 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.456 22.368 -24.092 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.874 23.426 -21.974 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.174 23.644 -23.642 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.885 24.168 -22.583 1.00 0.00 C ATOM 1372 OH TYR A 94 17.607 25.438 -22.133 1.00 0.00 O ATOM 0 H TYR A 94 16.239 19.553 -22.812 1.00 0.00 H new ATOM 0 HA TYR A 94 18.805 18.175 -23.283 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.834 20.106 -24.127 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.297 20.066 -24.969 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.926 21.572 -21.949 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.897 21.961 -24.921 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.430 23.839 -21.145 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.400 24.228 -24.118 1.00 0.00 H new ATOM 0 HH TYR A 94 18.328 25.741 -21.543 1.00 0.00 H new ATOM 1382 N SER A 95 19.827 19.317 -21.204 1.00 0.00 N ATOM 1383 CA SER A 95 20.241 19.640 -19.843 1.00 0.00 C ATOM 1384 C SER A 95 21.558 20.411 -19.840 1.00 0.00 C ATOM 1385 O SER A 95 22.507 20.039 -20.528 1.00 0.00 O ATOM 1386 CB SER A 95 20.388 18.364 -19.015 1.00 0.00 C ATOM 1387 OG SER A 95 20.095 17.216 -19.789 1.00 0.00 O ATOM 0 H SER A 95 20.576 18.969 -21.802 1.00 0.00 H new ATOM 0 HA SER A 95 19.470 20.269 -19.399 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.404 18.294 -18.626 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.720 18.406 -18.155 1.00 0.00 H new ATOM 0 HG SER A 95 20.806 17.077 -20.449 1.00 0.00 H new ATOM 1393 N PHE A 96 21.605 21.484 -19.060 1.00 0.00 N ATOM 1394 CA PHE A 96 22.805 22.306 -18.967 1.00 0.00 C ATOM 1395 C PHE A 96 23.968 21.509 -18.387 1.00 0.00 C ATOM 1396 O PHE A 96 23.824 20.330 -18.061 1.00 0.00 O ATOM 1397 CB PHE A 96 22.544 23.535 -18.097 1.00 0.00 C ATOM 1398 CG PHE A 96 21.710 24.586 -18.769 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.886 24.877 -20.112 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.753 25.285 -18.054 1.00 0.00 C ATOM 1401 CE1 PHE A 96 21.119 25.846 -20.731 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.982 26.255 -18.666 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.166 26.536 -20.007 1.00 0.00 C ATOM 0 H PHE A 96 20.827 21.805 -18.483 1.00 0.00 H new ATOM 0 HA PHE A 96 23.068 22.627 -19.975 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.046 23.220 -17.180 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.499 23.973 -17.807 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.631 24.341 -20.682 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.607 25.070 -17.006 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.264 26.063 -21.779 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.237 26.792 -18.098 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.566 27.294 -20.488 1.00 0.00 H new ATOM 1413 N CYS A 97 25.120 22.161 -18.256 1.00 0.00 N ATOM 1414 CA CYS A 97 26.305 21.510 -17.711 1.00 0.00 C ATOM 1415 C CYS A 97 27.279 22.537 -17.140 1.00 0.00 C ATOM 1416 O CYS A 97 27.320 23.683 -17.585 1.00 0.00 O ATOM 1417 CB CYS A 97 26.997 20.680 -18.792 1.00 0.00 C ATOM 1418 SG CYS A 97 25.931 19.408 -19.544 1.00 0.00 S ATOM 0 H CYS A 97 25.257 23.137 -18.519 1.00 0.00 H new ATOM 0 HA CYS A 97 25.987 20.851 -16.903 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.356 21.348 -19.575 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.873 20.196 -18.360 1.00 0.00 H new ATOM 1423 N THR A 98 28.063 22.115 -16.151 1.00 0.00 N ATOM 1424 CA THR A 98 29.037 22.992 -15.517 1.00 0.00 C ATOM 1425 C THR A 98 30.253 23.206 -16.415 1.00 0.00 C ATOM 1426 O THR A 98 30.257 24.093 -17.269 1.00 0.00 O ATOM 1427 CB THR A 98 29.503 22.416 -14.169 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.646 20.994 -14.267 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.517 22.752 -13.065 1.00 0.00 C ATOM 0 H THR A 98 28.041 21.168 -15.772 1.00 0.00 H new ATOM 0 HA THR A 98 28.544 23.950 -15.348 1.00 0.00 H new ATOM 0 HB THR A 98 30.466 22.864 -13.923 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.945 20.635 -13.405 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.870 22.333 -12.122 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.430 23.835 -12.971 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.542 22.330 -13.307 1.00 0.00 H new