USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 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 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.013) USER MOD Set 2.1: A 51 SER OG : rot 70:sc= -4.87! USER MOD Set 2.2: A 84 THR OG1 : rot -166:sc= -2.2! USER MOD Set 2.3: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 50 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.49) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 3 HIS :FLIP no HD1:sc= -1.54 F(o=-4!,f=-1.8) USER MOD Set 4.2: A 13 SER OG : rot 10:sc= -0.256 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.19! USER MOD Single : A 8 SER OG : rot -59:sc= 0.0271 USER MOD Single : A 12 TYR OH : rot -119:sc= 1.82 USER MOD Single : A 16 MET CE :methyl 149:sc= 0 (180deg=-0.555) USER MOD Single : A 17 GLN : amide:sc= 0.0082 X(o=0.0082,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.58! USER MOD Single : A 34 ASN : amide:sc= -2.98! C(o=-3!,f=-8.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.98 F(o=-2.5!,f=-0.98) USER MOD Single : A 45 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.2!) USER MOD Single : A 46 THR OG1 : rot -100:sc= -0.678 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 52 ASN : amide:sc= -1.75! C(o=-1.8!,f=-2.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.12! USER MOD Single : A 63 ASN : amide:sc= 0.0246 X(o=0.025,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= -1.35! USER MOD Single : A 69 SER OG : rot 150:sc= 0 USER MOD Single : A 71 THR OG1 : rot 173:sc= -0.251 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 170:sc= -0.156 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 83:sc= -1.45! USER MOD Single : A 98 THR OG1 : rot 22:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 46.384 12.428 -42.142 1.00 0.00 N ATOM 32 CA HIS A 3 46.312 11.472 -41.045 1.00 0.00 C ATOM 33 C HIS A 3 46.473 12.175 -39.701 1.00 0.00 C ATOM 34 O HIS A 3 47.192 13.168 -39.594 1.00 0.00 O ATOM 35 CB HIS A 3 47.390 10.399 -41.205 1.00 0.00 C ATOM 36 CG HIS A 3 46.923 9.193 -41.959 1.00 0.00 C ATOM 37 ND1 HIS A 3 46.527 7.973 -41.522 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 46.823 9.156 -43.334 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 46.200 7.231 -42.630 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 46.386 7.967 -43.710 1.00 0.00 N flip ATOM 0 HA HIS A 3 45.331 10.998 -41.072 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.248 10.831 -41.721 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.734 10.090 -40.218 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.064 9.972 -44.000 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.848 6.210 -42.620 1.00 0.00 H new ATOM 0 HE2 HIS A 3 46.221 7.669 -44.671 1.00 0.00 H new ATOM 49 N CYS A 4 45.800 11.656 -38.679 1.00 0.00 N ATOM 50 CA CYS A 4 45.876 12.242 -37.344 1.00 0.00 C ATOM 51 C CYS A 4 46.729 11.383 -36.418 1.00 0.00 C ATOM 52 O CYS A 4 46.465 10.195 -36.237 1.00 0.00 O ATOM 53 CB CYS A 4 44.477 12.425 -36.747 1.00 0.00 C ATOM 54 SG CYS A 4 43.173 11.448 -37.569 1.00 0.00 S ATOM 0 H CYS A 4 45.199 10.835 -38.748 1.00 0.00 H new ATOM 0 HA CYS A 4 46.346 13.221 -37.440 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.507 12.153 -35.692 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.209 13.480 -36.797 1.00 0.00 H new ATOM 59 N VAL A 5 47.753 11.995 -35.834 1.00 0.00 N ATOM 60 CA VAL A 5 48.650 11.289 -34.923 1.00 0.00 C ATOM 61 C VAL A 5 48.584 11.885 -33.521 1.00 0.00 C ATOM 62 O VAL A 5 48.865 13.067 -33.325 1.00 0.00 O ATOM 63 CB VAL A 5 50.112 11.331 -35.415 1.00 0.00 C ATOM 64 CG1 VAL A 5 50.597 9.934 -35.769 1.00 0.00 C ATOM 65 CG2 VAL A 5 50.263 12.269 -36.604 1.00 0.00 C ATOM 0 H VAL A 5 47.984 12.979 -35.974 1.00 0.00 H new ATOM 0 HA VAL A 5 48.316 10.252 -34.896 1.00 0.00 H new ATOM 0 HB VAL A 5 50.730 11.716 -34.604 1.00 0.00 H new ATOM 0 HG11 VAL A 5 51.630 9.984 -36.114 1.00 0.00 H new ATOM 0 HG12 VAL A 5 50.539 9.295 -34.888 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.970 9.521 -36.559 1.00 0.00 H new ATOM 0 HG21 VAL A 5 51.303 12.279 -36.930 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.630 11.925 -37.422 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.964 13.276 -36.313 1.00 0.00 H new ATOM 75 N THR A 6 48.210 11.060 -32.549 1.00 0.00 N ATOM 76 CA THR A 6 48.107 11.508 -31.166 1.00 0.00 C ATOM 77 C THR A 6 49.486 11.706 -30.546 1.00 0.00 C ATOM 78 O THR A 6 49.844 12.812 -30.141 1.00 0.00 O ATOM 79 CB THR A 6 47.309 10.509 -30.309 1.00 0.00 C ATOM 80 OG1 THR A 6 48.203 9.606 -29.647 1.00 0.00 O ATOM 81 CG2 THR A 6 46.332 9.721 -31.169 1.00 0.00 C ATOM 0 H THR A 6 47.973 10.078 -32.694 1.00 0.00 H new ATOM 0 HA THR A 6 47.580 12.462 -31.183 1.00 0.00 H new ATOM 0 HB THR A 6 46.745 11.072 -29.565 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.687 8.975 -29.103 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.779 9.021 -30.543 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.635 10.407 -31.650 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.882 9.169 -31.932 1.00 0.00 H new ATOM 89 N ASP A 7 50.256 10.626 -30.473 1.00 0.00 N ATOM 90 CA ASP A 7 51.595 10.681 -29.901 1.00 0.00 C ATOM 91 C ASP A 7 52.627 10.121 -30.873 1.00 0.00 C ATOM 92 O ASP A 7 53.432 10.861 -31.438 1.00 0.00 O ATOM 93 CB ASP A 7 51.641 9.901 -28.585 1.00 0.00 C ATOM 94 CG ASP A 7 50.442 10.191 -27.700 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.667 11.112 -28.034 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.280 9.496 -26.676 1.00 0.00 O ATOM 0 H ASP A 7 49.976 9.702 -30.803 1.00 0.00 H new ATOM 0 HA ASP A 7 51.837 11.726 -29.706 1.00 0.00 H new ATOM 0 HB2 ASP A 7 51.681 8.833 -28.800 1.00 0.00 H new ATOM 0 HB3 ASP A 7 52.555 10.153 -28.048 1.00 0.00 H new ATOM 101 N SER A 8 52.594 8.808 -31.061 1.00 0.00 N ATOM 102 CA SER A 8 53.525 8.140 -31.964 1.00 0.00 C ATOM 103 C SER A 8 53.235 6.644 -32.032 1.00 0.00 C ATOM 104 O SER A 8 54.137 5.820 -31.877 1.00 0.00 O ATOM 105 CB SER A 8 54.967 8.373 -31.510 1.00 0.00 C ATOM 106 OG SER A 8 55.882 8.081 -32.551 1.00 0.00 O ATOM 0 H SER A 8 51.932 8.183 -30.600 1.00 0.00 H new ATOM 0 HA SER A 8 53.394 8.564 -32.960 1.00 0.00 H new ATOM 0 HB2 SER A 8 55.089 9.409 -31.194 1.00 0.00 H new ATOM 0 HB3 SER A 8 55.185 7.748 -30.644 1.00 0.00 H new ATOM 0 HG SER A 8 55.774 7.147 -32.829 1.00 0.00 H new ATOM 112 N GLY A 9 51.974 6.300 -32.267 1.00 0.00 N ATOM 113 CA GLY A 9 51.589 4.904 -32.352 1.00 0.00 C ATOM 114 C GLY A 9 50.288 4.704 -33.103 1.00 0.00 C ATOM 115 O GLY A 9 50.163 3.780 -33.907 1.00 0.00 O ATOM 0 H GLY A 9 51.211 6.964 -32.400 1.00 0.00 H new ATOM 0 HA2 GLY A 9 52.381 4.342 -32.848 1.00 0.00 H new ATOM 0 HA3 GLY A 9 51.490 4.496 -31.346 1.00 0.00 H new ATOM 119 N VAL A 10 49.319 5.572 -32.842 1.00 0.00 N ATOM 120 CA VAL A 10 48.019 5.486 -33.498 1.00 0.00 C ATOM 121 C VAL A 10 47.859 6.582 -34.547 1.00 0.00 C ATOM 122 O VAL A 10 47.419 7.690 -34.241 1.00 0.00 O ATOM 123 CB VAL A 10 46.867 5.593 -32.482 1.00 0.00 C ATOM 124 CG1 VAL A 10 45.579 5.044 -33.076 1.00 0.00 C ATOM 125 CG2 VAL A 10 47.222 4.864 -31.195 1.00 0.00 C ATOM 0 H VAL A 10 49.408 6.344 -32.181 1.00 0.00 H new ATOM 0 HA VAL A 10 47.975 4.511 -33.984 1.00 0.00 H new ATOM 0 HB VAL A 10 46.711 6.646 -32.246 1.00 0.00 H new ATOM 0 HG11 VAL A 10 44.776 5.128 -32.344 1.00 0.00 H new ATOM 0 HG12 VAL A 10 45.318 5.614 -33.968 1.00 0.00 H new ATOM 0 HG13 VAL A 10 45.719 3.996 -33.343 1.00 0.00 H new ATOM 0 HG21 VAL A 10 46.396 4.950 -30.488 1.00 0.00 H new ATOM 0 HG22 VAL A 10 47.406 3.812 -31.412 1.00 0.00 H new ATOM 0 HG23 VAL A 10 48.118 5.307 -30.761 1.00 0.00 H new ATOM 135 N VAL A 11 48.216 6.261 -35.786 1.00 0.00 N ATOM 136 CA VAL A 11 48.111 7.216 -36.883 1.00 0.00 C ATOM 137 C VAL A 11 46.699 7.243 -37.456 1.00 0.00 C ATOM 138 O VAL A 11 46.431 6.658 -38.505 1.00 0.00 O ATOM 139 CB VAL A 11 49.105 6.889 -38.013 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.932 7.858 -39.171 1.00 0.00 C ATOM 141 CG2 VAL A 11 50.534 6.917 -37.492 1.00 0.00 C ATOM 0 H VAL A 11 48.580 5.347 -36.056 1.00 0.00 H new ATOM 0 HA VAL A 11 48.352 8.196 -36.471 1.00 0.00 H new ATOM 0 HB VAL A 11 48.896 5.883 -38.377 1.00 0.00 H new ATOM 0 HG11 VAL A 11 49.642 7.612 -39.960 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.917 7.782 -39.560 1.00 0.00 H new ATOM 0 HG13 VAL A 11 49.113 8.875 -38.824 1.00 0.00 H new ATOM 0 HG21 VAL A 11 51.222 6.684 -38.304 1.00 0.00 H new ATOM 0 HG22 VAL A 11 50.759 7.909 -37.100 1.00 0.00 H new ATOM 0 HG23 VAL A 11 50.646 6.179 -36.698 1.00 0.00 H new ATOM 151 N TYR A 12 45.800 7.928 -36.758 1.00 0.00 N ATOM 152 CA TYR A 12 44.413 8.039 -37.194 1.00 0.00 C ATOM 153 C TYR A 12 44.326 8.699 -38.565 1.00 0.00 C ATOM 154 O TYR A 12 45.341 8.938 -39.217 1.00 0.00 O ATOM 155 CB TYR A 12 43.603 8.849 -36.180 1.00 0.00 C ATOM 156 CG TYR A 12 43.376 8.133 -34.870 1.00 0.00 C ATOM 157 CD1 TYR A 12 42.490 7.066 -34.784 1.00 0.00 C ATOM 158 CD2 TYR A 12 44.047 8.524 -33.720 1.00 0.00 C ATOM 159 CE1 TYR A 12 42.280 6.409 -33.587 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.845 7.871 -32.519 1.00 0.00 C ATOM 161 CZ TYR A 12 42.960 6.814 -32.459 1.00 0.00 C ATOM 162 OH TYR A 12 42.754 6.162 -31.265 1.00 0.00 O ATOM 0 H TYR A 12 46.007 8.416 -35.886 1.00 0.00 H new ATOM 0 HA TYR A 12 43.999 7.033 -37.265 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.119 9.789 -35.985 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.637 9.100 -36.618 1.00 0.00 H new ATOM 0 HD1 TYR A 12 41.957 6.745 -35.667 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.739 9.352 -33.764 1.00 0.00 H new ATOM 0 HE1 TYR A 12 41.587 5.583 -33.536 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.376 8.186 -31.633 1.00 0.00 H new ATOM 0 HH TYR A 12 42.398 6.793 -30.605 1.00 0.00 H new ATOM 172 N SER A 13 43.103 8.996 -38.992 1.00 0.00 N ATOM 173 CA SER A 13 42.878 9.634 -40.282 1.00 0.00 C ATOM 174 C SER A 13 41.860 10.761 -40.154 1.00 0.00 C ATOM 175 O SER A 13 40.809 10.586 -39.544 1.00 0.00 O ATOM 176 CB SER A 13 42.396 8.606 -41.305 1.00 0.00 C ATOM 177 OG SER A 13 43.465 7.788 -41.750 1.00 0.00 O ATOM 0 H SER A 13 42.253 8.805 -38.462 1.00 0.00 H new ATOM 0 HA SER A 13 43.823 10.057 -40.624 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.619 7.984 -40.861 1.00 0.00 H new ATOM 0 HB3 SER A 13 41.947 9.118 -42.156 1.00 0.00 H new ATOM 0 HG SER A 13 44.253 7.945 -41.189 1.00 0.00 H new ATOM 183 N VAL A 14 42.190 11.915 -40.727 1.00 0.00 N ATOM 184 CA VAL A 14 41.315 13.084 -40.676 1.00 0.00 C ATOM 185 C VAL A 14 39.842 12.687 -40.656 1.00 0.00 C ATOM 186 O VAL A 14 39.198 12.593 -41.701 1.00 0.00 O ATOM 187 CB VAL A 14 41.563 14.019 -41.875 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.618 13.225 -43.171 1.00 0.00 C ATOM 189 CG2 VAL A 14 40.489 15.096 -41.946 1.00 0.00 C ATOM 0 H VAL A 14 43.062 12.067 -41.235 1.00 0.00 H new ATOM 0 HA VAL A 14 41.553 13.608 -39.751 1.00 0.00 H new ATOM 0 HB VAL A 14 42.527 14.509 -41.735 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.794 13.903 -44.006 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.428 12.497 -43.118 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.672 12.705 -43.319 1.00 0.00 H new ATOM 0 HG21 VAL A 14 40.682 15.746 -42.799 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.511 14.628 -42.060 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.504 15.686 -41.030 1.00 0.00 H new ATOM 199 N GLY A 15 39.314 12.458 -39.458 1.00 0.00 N ATOM 200 CA GLY A 15 37.921 12.077 -39.318 1.00 0.00 C ATOM 201 C GLY A 15 37.750 10.699 -38.709 1.00 0.00 C ATOM 202 O GLY A 15 36.645 10.154 -38.693 1.00 0.00 O ATOM 0 H GLY A 15 39.828 12.530 -38.580 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.409 12.811 -38.696 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.442 12.099 -40.297 1.00 0.00 H new ATOM 206 N MET A 16 38.842 10.132 -38.208 1.00 0.00 N ATOM 207 CA MET A 16 38.806 8.810 -37.596 1.00 0.00 C ATOM 208 C MET A 16 38.871 8.918 -36.076 1.00 0.00 C ATOM 209 O MET A 16 39.703 8.276 -35.434 1.00 0.00 O ATOM 210 CB MET A 16 39.965 7.955 -38.109 1.00 0.00 C ATOM 211 CG MET A 16 39.540 6.576 -38.584 1.00 0.00 C ATOM 212 SD MET A 16 39.942 5.279 -37.399 1.00 0.00 S ATOM 213 CE MET A 16 41.681 5.027 -37.745 1.00 0.00 C ATOM 0 H MET A 16 39.764 10.568 -38.214 1.00 0.00 H new ATOM 0 HA MET A 16 37.865 8.333 -37.871 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.455 8.478 -38.930 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.704 7.845 -37.315 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.466 6.574 -38.768 1.00 0.00 H new ATOM 0 HG3 MET A 16 40.026 6.358 -39.535 1.00 0.00 H new ATOM 0 HE1 MET A 16 42.193 4.722 -36.832 1.00 0.00 H new ATOM 0 HE2 MET A 16 41.793 4.250 -38.501 1.00 0.00 H new ATOM 0 HE3 MET A 16 42.117 5.956 -38.112 1.00 0.00 H new ATOM 223 N GLN A 17 37.991 9.738 -35.511 1.00 0.00 N ATOM 224 CA GLN A 17 37.945 9.939 -34.066 1.00 0.00 C ATOM 225 C GLN A 17 38.089 8.616 -33.322 1.00 0.00 C ATOM 226 O GLN A 17 38.097 7.545 -33.928 1.00 0.00 O ATOM 227 CB GLN A 17 36.637 10.620 -33.664 1.00 0.00 C ATOM 228 CG GLN A 17 35.482 10.323 -34.606 1.00 0.00 C ATOM 229 CD GLN A 17 34.254 9.810 -33.880 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.130 8.615 -33.612 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.336 10.714 -33.557 1.00 0.00 N ATOM 0 H GLN A 17 37.298 10.275 -36.032 1.00 0.00 H new ATOM 0 HA GLN A 17 38.782 10.581 -33.792 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.365 10.301 -32.658 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.795 11.698 -33.625 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.223 11.229 -35.154 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.799 9.584 -35.342 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.479 11.695 -33.798 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.488 10.428 -33.068 1.00 0.00 H new ATOM 240 N TRP A 18 38.208 8.703 -32.003 1.00 0.00 N ATOM 241 CA TRP A 18 38.360 7.519 -31.169 1.00 0.00 C ATOM 242 C TRP A 18 37.899 7.808 -29.739 1.00 0.00 C ATOM 243 O TRP A 18 37.155 8.762 -29.499 1.00 0.00 O ATOM 244 CB TRP A 18 39.821 7.068 -31.184 1.00 0.00 C ATOM 245 CG TRP A 18 40.749 8.154 -30.759 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.290 8.329 -29.521 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.230 9.230 -31.569 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.077 9.452 -29.509 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.057 10.024 -30.756 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.041 9.601 -32.904 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.692 11.167 -31.232 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.672 10.734 -33.376 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.488 11.506 -32.542 1.00 0.00 C ATOM 0 H TRP A 18 38.202 9.583 -31.488 1.00 0.00 H new ATOM 0 HA TRP A 18 37.737 6.718 -31.568 1.00 0.00 H new ATOM 0 HB2 TRP A 18 39.942 6.210 -30.523 1.00 0.00 H new ATOM 0 HB3 TRP A 18 40.087 6.737 -32.188 1.00 0.00 H new ATOM 0 HD1 TRP A 18 41.124 7.679 -28.674 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.594 9.805 -28.703 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.412 9.011 -33.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.323 11.765 -30.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.534 11.029 -34.406 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.967 12.388 -32.940 1.00 0.00 H new ATOM 264 N LEU A 19 38.336 6.982 -28.792 1.00 0.00 N ATOM 265 CA LEU A 19 37.954 7.152 -27.396 1.00 0.00 C ATOM 266 C LEU A 19 39.104 6.786 -26.464 1.00 0.00 C ATOM 267 O LEU A 19 40.034 6.081 -26.856 1.00 0.00 O ATOM 268 CB LEU A 19 36.733 6.281 -27.081 1.00 0.00 C ATOM 269 CG LEU A 19 35.894 6.737 -25.886 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.818 8.252 -25.832 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.499 6.142 -25.959 1.00 0.00 C ATOM 0 H LEU A 19 38.954 6.190 -28.967 1.00 0.00 H new ATOM 0 HA LEU A 19 37.705 8.201 -27.236 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.093 6.250 -27.963 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.072 5.262 -26.897 1.00 0.00 H new ATOM 0 HG LEU A 19 36.377 6.383 -24.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.217 8.556 -24.975 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.823 8.663 -25.735 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.360 8.626 -26.747 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.915 6.477 -25.101 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.012 6.468 -26.878 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.567 5.054 -25.950 1.00 0.00 H new ATOM 283 N LYS A 20 39.032 7.268 -25.228 1.00 0.00 N ATOM 284 CA LYS A 20 40.065 6.991 -24.236 1.00 0.00 C ATOM 285 C LYS A 20 39.484 7.014 -22.824 1.00 0.00 C ATOM 286 O LYS A 20 38.676 7.880 -22.490 1.00 0.00 O ATOM 287 CB LYS A 20 41.199 8.012 -24.350 1.00 0.00 C ATOM 288 CG LYS A 20 42.583 7.406 -24.185 1.00 0.00 C ATOM 289 CD LYS A 20 43.606 8.456 -23.782 1.00 0.00 C ATOM 290 CE LYS A 20 43.454 8.849 -22.322 1.00 0.00 C ATOM 291 NZ LYS A 20 44.109 7.869 -21.413 1.00 0.00 N ATOM 0 H LYS A 20 38.268 7.853 -24.889 1.00 0.00 H new ATOM 0 HA LYS A 20 40.462 5.995 -24.430 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.139 8.501 -25.322 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.058 8.785 -23.595 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.550 6.620 -23.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.890 6.937 -25.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.611 8.071 -23.954 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.491 9.338 -24.411 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.888 9.836 -22.165 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.395 8.923 -22.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.983 8.173 -20.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.678 6.932 -21.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.124 7.817 -21.632 1.00 0.00 H new ATOM 379 N GLN A 26 36.227 9.401 -18.151 1.00 0.00 N ATOM 380 CA GLN A 26 36.076 9.180 -19.584 1.00 0.00 C ATOM 381 C GLN A 26 36.528 10.403 -20.376 1.00 0.00 C ATOM 382 O GLN A 26 36.507 11.526 -19.870 1.00 0.00 O ATOM 383 CB GLN A 26 34.621 8.850 -19.920 1.00 0.00 C ATOM 384 CG GLN A 26 34.179 7.481 -19.428 1.00 0.00 C ATOM 385 CD GLN A 26 32.811 7.087 -19.948 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.693 6.418 -20.975 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.767 7.500 -19.239 1.00 0.00 N ATOM 0 HA GLN A 26 36.707 8.336 -19.863 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.974 9.610 -19.483 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.486 8.900 -21.000 1.00 0.00 H new ATOM 0 HG2 GLN A 26 34.910 6.734 -19.738 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.164 7.479 -18.338 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.911 8.053 -18.394 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.821 7.265 -19.540 1.00 0.00 H new ATOM 396 N MET A 27 36.932 10.177 -21.621 1.00 0.00 N ATOM 397 CA MET A 27 37.388 11.256 -22.489 1.00 0.00 C ATOM 398 C MET A 27 37.422 10.799 -23.943 1.00 0.00 C ATOM 399 O MET A 27 38.088 9.821 -24.279 1.00 0.00 O ATOM 400 CB MET A 27 38.777 11.734 -22.061 1.00 0.00 C ATOM 401 CG MET A 27 39.319 12.870 -22.914 1.00 0.00 C ATOM 402 SD MET A 27 40.715 12.366 -23.938 1.00 0.00 S ATOM 403 CE MET A 27 42.070 12.562 -22.785 1.00 0.00 C ATOM 0 H MET A 27 36.953 9.253 -22.053 1.00 0.00 H new ATOM 0 HA MET A 27 36.685 12.084 -22.399 1.00 0.00 H new ATOM 0 HB2 MET A 27 38.736 12.059 -21.021 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.471 10.894 -22.105 1.00 0.00 H new ATOM 0 HG2 MET A 27 38.523 13.250 -23.554 1.00 0.00 H new ATOM 0 HG3 MET A 27 39.627 13.691 -22.266 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.005 12.288 -23.273 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.122 13.601 -22.458 1.00 0.00 H new ATOM 0 HE3 MET A 27 41.909 11.917 -21.921 1.00 0.00 H new ATOM 413 N LEU A 28 36.699 11.511 -24.802 1.00 0.00 N ATOM 414 CA LEU A 28 36.651 11.171 -26.218 1.00 0.00 C ATOM 415 C LEU A 28 37.547 12.098 -27.030 1.00 0.00 C ATOM 416 O LEU A 28 37.756 13.253 -26.659 1.00 0.00 O ATOM 417 CB LEU A 28 35.214 11.249 -26.739 1.00 0.00 C ATOM 418 CG LEU A 28 35.028 10.778 -28.182 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.093 9.580 -28.235 1.00 0.00 C ATOM 420 CD2 LEU A 28 34.498 11.911 -29.049 1.00 0.00 C ATOM 0 H LEU A 28 36.140 12.324 -24.543 1.00 0.00 H new ATOM 0 HA LEU A 28 37.015 10.150 -26.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 34.575 10.650 -26.091 1.00 0.00 H new ATOM 0 HB3 LEU A 28 34.870 12.280 -26.661 1.00 0.00 H new ATOM 0 HG LEU A 28 35.999 10.473 -28.573 1.00 0.00 H new ATOM 0 HD11 LEU A 28 33.972 9.258 -29.269 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.514 8.764 -27.648 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.122 9.858 -27.826 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.372 11.558 -30.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 33.537 12.248 -28.660 1.00 0.00 H new ATOM 0 HD23 LEU A 28 35.205 12.740 -29.036 1.00 0.00 H new ATOM 432 N CYS A 29 38.075 11.587 -28.137 1.00 0.00 N ATOM 433 CA CYS A 29 38.949 12.380 -28.992 1.00 0.00 C ATOM 434 C CYS A 29 38.553 12.255 -30.455 1.00 0.00 C ATOM 435 O CYS A 29 38.058 11.216 -30.894 1.00 0.00 O ATOM 436 CB CYS A 29 40.406 11.970 -28.795 1.00 0.00 C ATOM 437 SG CYS A 29 41.602 13.213 -29.385 1.00 0.00 S ATOM 0 H CYS A 29 37.914 10.633 -28.461 1.00 0.00 H new ATOM 0 HA CYS A 29 38.839 13.426 -28.704 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.582 11.783 -27.736 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.584 11.030 -29.318 1.00 0.00 H new ATOM 442 N THR A 30 38.770 13.331 -31.204 1.00 0.00 N ATOM 443 CA THR A 30 38.431 13.358 -32.622 1.00 0.00 C ATOM 444 C THR A 30 39.393 14.240 -33.402 1.00 0.00 C ATOM 445 O THR A 30 39.679 15.368 -33.000 1.00 0.00 O ATOM 446 CB THR A 30 37.000 13.883 -32.849 1.00 0.00 C ATOM 447 OG1 THR A 30 36.050 13.021 -32.211 1.00 0.00 O ATOM 448 CG2 THR A 30 36.688 13.983 -34.336 1.00 0.00 C ATOM 0 H THR A 30 39.179 14.196 -30.852 1.00 0.00 H new ATOM 0 HA THR A 30 38.503 12.330 -32.978 1.00 0.00 H new ATOM 0 HB THR A 30 36.931 14.879 -32.413 1.00 0.00 H new ATOM 0 HG1 THR A 30 35.144 13.365 -32.360 1.00 0.00 H new ATOM 0 HG21 THR A 30 35.673 14.356 -34.470 1.00 0.00 H new ATOM 0 HG22 THR A 30 37.392 14.667 -34.810 1.00 0.00 H new ATOM 0 HG23 THR A 30 36.776 12.998 -34.793 1.00 0.00 H new ATOM 456 N CYS A 31 39.876 13.733 -34.529 1.00 0.00 N ATOM 457 CA CYS A 31 40.788 14.498 -35.366 1.00 0.00 C ATOM 458 C CYS A 31 40.037 15.099 -36.547 1.00 0.00 C ATOM 459 O CYS A 31 39.676 14.400 -37.493 1.00 0.00 O ATOM 460 CB CYS A 31 41.947 13.629 -35.857 1.00 0.00 C ATOM 461 SG CYS A 31 41.443 12.124 -36.748 1.00 0.00 S ATOM 0 H CYS A 31 39.653 12.802 -34.882 1.00 0.00 H new ATOM 0 HA CYS A 31 41.206 15.305 -34.764 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.580 14.228 -36.512 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.556 13.341 -35.000 1.00 0.00 H new ATOM 466 N LEU A 32 39.792 16.401 -36.470 1.00 0.00 N ATOM 467 CA LEU A 32 39.067 17.110 -37.518 1.00 0.00 C ATOM 468 C LEU A 32 39.973 17.415 -38.710 1.00 0.00 C ATOM 469 O LEU A 32 40.199 16.555 -39.561 1.00 0.00 O ATOM 470 CB LEU A 32 38.467 18.405 -36.960 1.00 0.00 C ATOM 471 CG LEU A 32 39.271 19.062 -35.834 1.00 0.00 C ATOM 472 CD1 LEU A 32 39.322 20.570 -36.014 1.00 0.00 C ATOM 473 CD2 LEU A 32 38.676 18.703 -34.479 1.00 0.00 C ATOM 0 H LEU A 32 40.086 16.989 -35.690 1.00 0.00 H new ATOM 0 HA LEU A 32 38.261 16.465 -37.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 38.363 19.120 -37.776 1.00 0.00 H new ATOM 0 HB3 LEU A 32 37.463 18.193 -36.592 1.00 0.00 H new ATOM 0 HG LEU A 32 40.292 18.683 -35.876 1.00 0.00 H new ATOM 0 HD11 LEU A 32 39.898 21.014 -35.202 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.795 20.807 -36.967 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.309 20.972 -36.002 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.258 19.177 -33.689 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.645 19.053 -34.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.698 17.621 -34.347 1.00 0.00 H new ATOM 485 N GLY A 33 40.489 18.641 -38.771 1.00 0.00 N ATOM 486 CA GLY A 33 41.358 19.020 -39.870 1.00 0.00 C ATOM 487 C GLY A 33 42.542 19.849 -39.414 1.00 0.00 C ATOM 488 O GLY A 33 43.648 19.704 -39.936 1.00 0.00 O ATOM 0 H GLY A 33 40.321 19.374 -38.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 41.719 18.121 -40.370 1.00 0.00 H new ATOM 0 HA3 GLY A 33 40.784 19.585 -40.605 1.00 0.00 H new ATOM 492 N ASN A 34 42.311 20.716 -38.435 1.00 0.00 N ATOM 493 CA ASN A 34 43.368 21.568 -37.906 1.00 0.00 C ATOM 494 C ASN A 34 44.339 20.748 -37.064 1.00 0.00 C ATOM 495 O ASN A 34 45.527 21.060 -36.986 1.00 0.00 O ATOM 496 CB ASN A 34 42.770 22.705 -37.072 1.00 0.00 C ATOM 497 CG ASN A 34 42.523 22.307 -35.629 1.00 0.00 C ATOM 498 OD1 ASN A 34 42.189 21.158 -35.338 1.00 0.00 O ATOM 499 ND2 ASN A 34 42.688 23.257 -34.717 1.00 0.00 N ATOM 0 H ASN A 34 41.402 20.847 -37.992 1.00 0.00 H new ATOM 0 HA ASN A 34 43.915 22.002 -38.743 1.00 0.00 H new ATOM 0 HB2 ASN A 34 43.443 23.562 -37.098 1.00 0.00 H new ATOM 0 HB3 ASN A 34 41.830 23.025 -37.522 1.00 0.00 H new ATOM 0 HD21 ASN A 34 42.537 23.048 -33.730 1.00 0.00 H new ATOM 0 HD22 ASN A 34 42.966 24.196 -35.003 1.00 0.00 H new ATOM 506 N GLY A 35 43.823 19.696 -36.438 1.00 0.00 N ATOM 507 CA GLY A 35 44.655 18.843 -35.612 1.00 0.00 C ATOM 508 C GLY A 35 43.876 17.706 -34.980 1.00 0.00 C ATOM 509 O GLY A 35 43.364 16.831 -35.678 1.00 0.00 O ATOM 0 H GLY A 35 42.843 19.419 -36.488 1.00 0.00 H new ATOM 0 HA2 GLY A 35 45.463 18.433 -36.218 1.00 0.00 H new ATOM 0 HA3 GLY A 35 45.118 19.442 -34.828 1.00 0.00 H new ATOM 513 N VAL A 36 43.787 17.720 -33.655 1.00 0.00 N ATOM 514 CA VAL A 36 43.066 16.687 -32.922 1.00 0.00 C ATOM 515 C VAL A 36 42.517 17.237 -31.610 1.00 0.00 C ATOM 516 O VAL A 36 43.268 17.727 -30.768 1.00 0.00 O ATOM 517 CB VAL A 36 43.967 15.466 -32.631 1.00 0.00 C ATOM 518 CG1 VAL A 36 43.360 14.586 -31.547 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.201 14.665 -33.900 1.00 0.00 C ATOM 0 H VAL A 36 44.207 18.438 -33.065 1.00 0.00 H new ATOM 0 HA VAL A 36 42.237 16.365 -33.552 1.00 0.00 H new ATOM 0 HB VAL A 36 44.928 15.832 -32.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.014 13.734 -31.362 1.00 0.00 H new ATOM 0 HG12 VAL A 36 43.248 15.164 -30.630 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.383 14.229 -31.873 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.838 13.809 -33.678 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.246 14.315 -34.291 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.688 15.296 -34.644 1.00 0.00 H new ATOM 529 N SER A 37 41.201 17.152 -31.445 1.00 0.00 N ATOM 530 CA SER A 37 40.551 17.642 -30.237 1.00 0.00 C ATOM 531 C SER A 37 39.815 16.516 -29.520 1.00 0.00 C ATOM 532 O SER A 37 39.200 15.658 -30.154 1.00 0.00 O ATOM 533 CB SER A 37 39.574 18.767 -30.582 1.00 0.00 C ATOM 534 OG SER A 37 39.091 19.401 -29.410 1.00 0.00 O ATOM 0 H SER A 37 40.565 16.748 -32.133 1.00 0.00 H new ATOM 0 HA SER A 37 41.321 18.029 -29.570 1.00 0.00 H new ATOM 0 HB2 SER A 37 40.069 19.501 -31.218 1.00 0.00 H new ATOM 0 HB3 SER A 37 38.737 18.364 -31.152 1.00 0.00 H new ATOM 0 HG SER A 37 38.470 20.117 -29.658 1.00 0.00 H new ATOM 540 N CYS A 38 39.880 16.524 -28.193 1.00 0.00 N ATOM 541 CA CYS A 38 39.217 15.504 -27.389 1.00 0.00 C ATOM 542 C CYS A 38 38.552 16.125 -26.166 1.00 0.00 C ATOM 543 O CYS A 38 39.059 17.091 -25.595 1.00 0.00 O ATOM 544 CB CYS A 38 40.221 14.432 -26.949 1.00 0.00 C ATOM 545 SG CYS A 38 41.823 14.491 -27.819 1.00 0.00 S ATOM 0 H CYS A 38 40.385 17.225 -27.651 1.00 0.00 H new ATOM 0 HA CYS A 38 38.447 15.038 -28.004 1.00 0.00 H new ATOM 0 HB2 CYS A 38 40.399 14.537 -25.879 1.00 0.00 H new ATOM 0 HB3 CYS A 38 39.775 13.450 -27.103 1.00 0.00 H new ATOM 550 N GLN A 39 37.412 15.567 -25.771 1.00 0.00 N ATOM 551 CA GLN A 39 36.677 16.070 -24.617 1.00 0.00 C ATOM 552 C GLN A 39 36.878 15.166 -23.405 1.00 0.00 C ATOM 553 O GLN A 39 36.502 13.994 -23.424 1.00 0.00 O ATOM 554 CB GLN A 39 35.186 16.180 -24.943 1.00 0.00 C ATOM 555 CG GLN A 39 34.849 17.346 -25.858 1.00 0.00 C ATOM 556 CD GLN A 39 35.466 18.649 -25.389 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.678 18.767 -24.084 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 35.749 19.539 -26.191 1.00 0.00 N flip ATOM 0 H GLN A 39 36.978 14.768 -26.233 1.00 0.00 H new ATOM 0 HA GLN A 39 37.064 17.060 -24.377 1.00 0.00 H new ATOM 0 HB2 GLN A 39 34.856 15.253 -25.412 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.626 16.284 -24.014 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.198 17.125 -26.867 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.766 17.459 -25.913 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.569 19.405 -27.186 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.164 20.410 -25.861 1.00 0.00 H new ATOM 636 N GLN A 45 29.573 22.557 -24.623 1.00 0.00 N ATOM 637 CA GLN A 45 29.461 24.002 -24.466 1.00 0.00 C ATOM 638 C GLN A 45 28.575 24.603 -25.553 1.00 0.00 C ATOM 639 O GLN A 45 29.066 25.207 -26.505 1.00 0.00 O ATOM 640 CB GLN A 45 30.847 24.652 -24.504 1.00 0.00 C ATOM 641 CG GLN A 45 31.973 23.678 -24.818 1.00 0.00 C ATOM 642 CD GLN A 45 32.543 23.025 -23.573 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.598 23.639 -22.507 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.971 21.774 -23.702 1.00 0.00 N ATOM 0 HA GLN A 45 29.001 24.200 -23.498 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.846 25.445 -25.252 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.044 25.123 -23.541 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.603 22.905 -25.492 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.769 24.205 -25.344 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.906 21.303 -24.605 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.364 21.284 -22.898 1.00 0.00 H new ATOM 653 N THR A 46 27.265 24.431 -25.401 1.00 0.00 N ATOM 654 CA THR A 46 26.309 24.956 -26.369 1.00 0.00 C ATOM 655 C THR A 46 25.795 26.327 -25.941 1.00 0.00 C ATOM 656 O THR A 46 25.792 26.657 -24.756 1.00 0.00 O ATOM 657 CB THR A 46 25.111 24.003 -26.545 1.00 0.00 C ATOM 658 OG1 THR A 46 24.026 24.417 -25.706 1.00 0.00 O ATOM 659 CG2 THR A 46 25.503 22.572 -26.206 1.00 0.00 C ATOM 0 H THR A 46 26.842 23.933 -24.618 1.00 0.00 H new ATOM 0 HA THR A 46 26.834 25.047 -27.320 1.00 0.00 H new ATOM 0 HB THR A 46 24.797 24.040 -27.588 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.008 23.863 -24.898 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.641 21.918 -26.338 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.308 22.249 -26.866 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.841 22.523 -25.171 1.00 0.00 H new ATOM 667 N TYR A 47 25.366 27.125 -26.914 1.00 0.00 N ATOM 668 CA TYR A 47 24.855 28.461 -26.632 1.00 0.00 C ATOM 669 C TYR A 47 23.406 28.603 -27.084 1.00 0.00 C ATOM 670 O TYR A 47 22.610 29.287 -26.440 1.00 0.00 O ATOM 671 CB TYR A 47 25.721 29.518 -27.320 1.00 0.00 C ATOM 672 CG TYR A 47 26.239 29.094 -28.675 1.00 0.00 C ATOM 673 CD1 TYR A 47 25.452 29.224 -29.813 1.00 0.00 C ATOM 674 CD2 TYR A 47 27.517 28.567 -28.818 1.00 0.00 C ATOM 675 CE1 TYR A 47 25.923 28.841 -31.054 1.00 0.00 C ATOM 676 CE2 TYR A 47 27.996 28.183 -30.057 1.00 0.00 C ATOM 677 CZ TYR A 47 27.194 28.322 -31.171 1.00 0.00 C ATOM 678 OH TYR A 47 27.667 27.942 -32.405 1.00 0.00 O ATOM 0 H TYR A 47 25.362 26.870 -27.902 1.00 0.00 H new ATOM 0 HA TYR A 47 24.894 28.613 -25.553 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.140 30.433 -27.434 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.568 29.756 -26.676 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.456 29.631 -29.726 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.146 28.456 -27.947 1.00 0.00 H new ATOM 0 HE1 TYR A 47 25.298 28.948 -31.928 1.00 0.00 H new ATOM 0 HE2 TYR A 47 28.992 27.777 -30.152 1.00 0.00 H new ATOM 0 HH TYR A 47 28.580 27.598 -32.314 1.00 0.00 H new ATOM 688 N GLY A 48 23.069 27.957 -28.193 1.00 0.00 N ATOM 689 CA GLY A 48 21.714 28.031 -28.708 1.00 0.00 C ATOM 690 C GLY A 48 21.390 26.902 -29.666 1.00 0.00 C ATOM 691 O GLY A 48 20.999 25.814 -29.245 1.00 0.00 O ATOM 0 H GLY A 48 23.708 27.384 -28.745 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.011 28.008 -27.875 1.00 0.00 H new ATOM 0 HA3 GLY A 48 21.575 28.985 -29.217 1.00 0.00 H new ATOM 695 N GLY A 49 21.551 27.162 -30.959 1.00 0.00 N ATOM 696 CA GLY A 49 21.264 26.150 -31.959 1.00 0.00 C ATOM 697 C GLY A 49 19.783 25.841 -32.056 1.00 0.00 C ATOM 698 O GLY A 49 18.965 26.744 -32.228 1.00 0.00 O ATOM 0 H GLY A 49 21.875 28.054 -31.332 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.627 26.488 -32.930 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.808 25.237 -31.716 1.00 0.00 H new ATOM 702 N ASN A 50 19.438 24.563 -31.943 1.00 0.00 N ATOM 703 CA ASN A 50 18.044 24.141 -32.016 1.00 0.00 C ATOM 704 C ASN A 50 17.462 23.960 -30.618 1.00 0.00 C ATOM 705 O ASN A 50 16.244 23.942 -30.439 1.00 0.00 O ATOM 706 CB ASN A 50 17.922 22.837 -32.806 1.00 0.00 C ATOM 707 CG ASN A 50 16.950 22.954 -33.965 1.00 0.00 C ATOM 708 OD1 ASN A 50 17.115 23.797 -34.846 1.00 0.00 O ATOM 709 ND2 ASN A 50 15.928 22.107 -33.968 1.00 0.00 N ATOM 0 H ASN A 50 20.103 23.803 -31.801 1.00 0.00 H new ATOM 0 HA ASN A 50 17.480 24.919 -32.530 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.903 22.552 -33.185 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.594 22.040 -32.139 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.241 22.139 -34.721 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.830 21.424 -33.217 1.00 0.00 H new ATOM 716 N SER A 51 18.342 23.828 -29.630 1.00 0.00 N ATOM 717 CA SER A 51 17.917 23.651 -28.247 1.00 0.00 C ATOM 718 C SER A 51 17.934 24.980 -27.498 1.00 0.00 C ATOM 719 O SER A 51 17.375 25.097 -26.407 1.00 0.00 O ATOM 720 CB SER A 51 18.820 22.641 -27.539 1.00 0.00 C ATOM 721 OG SER A 51 18.197 21.371 -27.458 1.00 0.00 O ATOM 0 H SER A 51 19.353 23.840 -29.762 1.00 0.00 H new ATOM 0 HA SER A 51 16.895 23.271 -28.253 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.764 22.553 -28.076 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.056 22.999 -26.537 1.00 0.00 H new ATOM 0 HG SER A 51 18.149 20.972 -28.352 1.00 0.00 H new ATOM 727 N ASN A 52 18.577 25.980 -28.093 1.00 0.00 N ATOM 728 CA ASN A 52 18.665 27.302 -27.486 1.00 0.00 C ATOM 729 C ASN A 52 19.526 27.269 -26.226 1.00 0.00 C ATOM 730 O ASN A 52 19.231 27.944 -25.240 1.00 0.00 O ATOM 731 CB ASN A 52 17.266 27.825 -27.158 1.00 0.00 C ATOM 732 CG ASN A 52 17.297 29.147 -26.416 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.160 29.190 -25.194 1.00 0.00 O ATOM 734 ND2 ASN A 52 17.478 30.236 -27.155 1.00 0.00 N ATOM 0 H ASN A 52 19.045 25.899 -28.996 1.00 0.00 H new ATOM 0 HA ASN A 52 19.137 27.975 -28.202 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.701 27.945 -28.082 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.738 27.086 -26.555 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.508 31.154 -26.712 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.587 30.154 -28.166 1.00 0.00 H new ATOM 741 N GLY A 53 20.597 26.482 -26.270 1.00 0.00 N ATOM 742 CA GLY A 53 21.488 26.379 -25.129 1.00 0.00 C ATOM 743 C GLY A 53 20.986 25.406 -24.081 1.00 0.00 C ATOM 744 O GLY A 53 20.240 25.785 -23.178 1.00 0.00 O ATOM 0 H GLY A 53 20.863 25.915 -27.075 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.474 26.063 -25.470 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.608 27.364 -24.677 1.00 0.00 H new ATOM 748 N GLU A 54 21.401 24.150 -24.199 1.00 0.00 N ATOM 749 CA GLU A 54 20.995 23.118 -23.252 1.00 0.00 C ATOM 750 C GLU A 54 21.977 21.948 -23.283 1.00 0.00 C ATOM 751 O GLU A 54 22.288 21.411 -24.345 1.00 0.00 O ATOM 752 CB GLU A 54 19.560 22.654 -23.561 1.00 0.00 C ATOM 753 CG GLU A 54 19.433 21.186 -23.952 1.00 0.00 C ATOM 754 CD GLU A 54 17.999 20.782 -24.234 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.215 21.647 -24.679 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.659 19.601 -24.008 1.00 0.00 O ATOM 0 H GLU A 54 22.019 23.822 -24.941 1.00 0.00 H new ATOM 0 HA GLU A 54 21.008 23.534 -22.245 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.937 22.837 -22.685 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.161 23.267 -24.370 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.041 20.995 -24.836 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.831 20.564 -23.150 1.00 0.00 H new ATOM 763 N PRO A 55 22.476 21.541 -22.107 1.00 0.00 N ATOM 764 CA PRO A 55 23.424 20.435 -21.990 1.00 0.00 C ATOM 765 C PRO A 55 23.070 19.266 -22.902 1.00 0.00 C ATOM 766 O PRO A 55 22.192 18.464 -22.587 1.00 0.00 O ATOM 767 CB PRO A 55 23.296 20.036 -20.522 1.00 0.00 C ATOM 768 CG PRO A 55 22.958 21.307 -19.820 1.00 0.00 C ATOM 769 CD PRO A 55 22.151 22.131 -20.794 1.00 0.00 C ATOM 0 HA PRO A 55 24.434 20.719 -22.286 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.519 19.285 -20.381 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.225 19.608 -20.144 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.387 21.109 -18.913 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.862 21.837 -19.519 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.084 22.070 -20.581 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.425 23.185 -20.750 1.00 0.00 H new ATOM 777 N CYS A 56 23.759 19.178 -24.037 1.00 0.00 N ATOM 778 CA CYS A 56 23.515 18.108 -24.995 1.00 0.00 C ATOM 779 C CYS A 56 23.556 16.746 -24.308 1.00 0.00 C ATOM 780 O CYS A 56 24.095 16.611 -23.209 1.00 0.00 O ATOM 781 CB CYS A 56 24.536 18.172 -26.134 1.00 0.00 C ATOM 782 SG CYS A 56 24.139 19.420 -27.403 1.00 0.00 S ATOM 0 H CYS A 56 24.489 19.834 -24.314 1.00 0.00 H new ATOM 0 HA CYS A 56 22.519 18.242 -25.416 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.519 18.390 -25.717 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.601 17.192 -26.608 1.00 0.00 H new ATOM 787 N VAL A 57 22.963 15.743 -24.950 1.00 0.00 N ATOM 788 CA VAL A 57 22.912 14.400 -24.386 1.00 0.00 C ATOM 789 C VAL A 57 23.832 13.427 -25.122 1.00 0.00 C ATOM 790 O VAL A 57 23.366 12.539 -25.834 1.00 0.00 O ATOM 791 CB VAL A 57 21.472 13.848 -24.415 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.028 13.572 -25.845 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.365 12.592 -23.563 1.00 0.00 C ATOM 0 H VAL A 57 22.512 15.836 -25.860 1.00 0.00 H new ATOM 0 HA VAL A 57 23.256 14.485 -23.355 1.00 0.00 H new ATOM 0 HB VAL A 57 20.807 14.603 -23.996 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.010 13.183 -25.841 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.061 14.497 -26.421 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.695 12.838 -26.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.342 12.217 -23.595 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.043 11.831 -23.950 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.633 12.827 -22.533 1.00 0.00 H new ATOM 803 N LEU A 58 25.139 13.586 -24.936 1.00 0.00 N ATOM 804 CA LEU A 58 26.104 12.698 -25.579 1.00 0.00 C ATOM 805 C LEU A 58 26.707 11.726 -24.571 1.00 0.00 C ATOM 806 O LEU A 58 26.616 11.929 -23.361 1.00 0.00 O ATOM 807 CB LEU A 58 27.224 13.492 -26.256 1.00 0.00 C ATOM 808 CG LEU A 58 27.480 14.881 -25.680 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.302 15.789 -25.963 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.750 14.799 -24.185 1.00 0.00 C ATOM 0 H LEU A 58 25.552 14.313 -24.352 1.00 0.00 H new ATOM 0 HA LEU A 58 25.565 12.133 -26.340 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.146 12.915 -26.191 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.985 13.594 -27.315 1.00 0.00 H new ATOM 0 HG LEU A 58 28.364 15.301 -26.161 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.496 16.778 -25.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.156 15.871 -27.040 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.404 15.373 -25.506 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.930 15.800 -23.792 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.887 14.362 -23.683 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.627 14.176 -24.007 1.00 0.00 H new ATOM 822 N PRO A 59 27.331 10.654 -25.071 1.00 0.00 N ATOM 823 CA PRO A 59 27.444 10.405 -26.507 1.00 0.00 C ATOM 824 C PRO A 59 26.112 10.014 -27.133 1.00 0.00 C ATOM 825 O PRO A 59 25.343 9.244 -26.557 1.00 0.00 O ATOM 826 CB PRO A 59 28.434 9.237 -26.609 1.00 0.00 C ATOM 827 CG PRO A 59 29.011 9.072 -25.239 1.00 0.00 C ATOM 828 CD PRO A 59 27.979 9.601 -24.284 1.00 0.00 C ATOM 0 HA PRO A 59 27.768 11.299 -27.040 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.932 8.326 -26.934 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.215 9.449 -27.339 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.232 8.025 -25.033 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.948 9.620 -25.143 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.273 8.828 -23.980 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.432 9.995 -23.374 1.00 0.00 H new ATOM 836 N PHE A 60 25.849 10.544 -28.320 1.00 0.00 N ATOM 837 CA PHE A 60 24.614 10.246 -29.036 1.00 0.00 C ATOM 838 C PHE A 60 24.920 9.496 -30.325 1.00 0.00 C ATOM 839 O PHE A 60 26.083 9.323 -30.687 1.00 0.00 O ATOM 840 CB PHE A 60 23.850 11.535 -29.346 1.00 0.00 C ATOM 841 CG PHE A 60 24.729 12.657 -29.816 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.004 12.821 -31.163 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.281 13.549 -28.909 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.814 13.853 -31.599 1.00 0.00 C ATOM 845 CE2 PHE A 60 26.091 14.582 -29.338 1.00 0.00 C ATOM 846 CZ PHE A 60 26.358 14.734 -30.685 1.00 0.00 C ATOM 0 H PHE A 60 26.475 11.184 -28.809 1.00 0.00 H new ATOM 0 HA PHE A 60 23.990 9.616 -28.401 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.100 11.328 -30.109 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.315 11.854 -28.452 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.581 12.135 -31.882 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.075 13.435 -27.855 1.00 0.00 H new ATOM 0 HE1 PHE A 60 26.021 13.970 -32.652 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.515 15.270 -28.622 1.00 0.00 H new ATOM 0 HZ PHE A 60 26.991 15.541 -31.023 1.00 0.00 H new ATOM 856 N THR A 61 23.878 9.051 -31.017 1.00 0.00 N ATOM 857 CA THR A 61 24.054 8.319 -32.265 1.00 0.00 C ATOM 858 C THR A 61 23.393 9.047 -33.427 1.00 0.00 C ATOM 859 O THR A 61 22.183 9.273 -33.426 1.00 0.00 O ATOM 860 CB THR A 61 23.476 6.895 -32.170 1.00 0.00 C ATOM 861 OG1 THR A 61 23.293 6.530 -30.797 1.00 0.00 O ATOM 862 CG2 THR A 61 24.397 5.891 -32.850 1.00 0.00 C ATOM 0 H THR A 61 22.906 9.183 -30.737 1.00 0.00 H new ATOM 0 HA THR A 61 25.127 8.255 -32.443 1.00 0.00 H new ATOM 0 HB THR A 61 22.512 6.883 -32.679 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.924 5.624 -30.746 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.968 4.892 -32.770 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.510 6.155 -33.902 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.373 5.907 -32.365 1.00 0.00 H new ATOM 870 N TYR A 62 24.195 9.411 -34.421 1.00 0.00 N ATOM 871 CA TYR A 62 23.689 10.112 -35.594 1.00 0.00 C ATOM 872 C TYR A 62 24.316 9.558 -36.868 1.00 0.00 C ATOM 873 O TYR A 62 25.533 9.390 -36.950 1.00 0.00 O ATOM 874 CB TYR A 62 23.968 11.612 -35.484 1.00 0.00 C ATOM 875 CG TYR A 62 23.641 12.380 -36.743 1.00 0.00 C ATOM 876 CD1 TYR A 62 22.328 12.515 -37.177 1.00 0.00 C ATOM 877 CD2 TYR A 62 24.646 12.971 -37.500 1.00 0.00 C ATOM 878 CE1 TYR A 62 22.026 13.215 -38.328 1.00 0.00 C ATOM 879 CE2 TYR A 62 24.351 13.673 -38.653 1.00 0.00 C ATOM 880 CZ TYR A 62 23.039 13.793 -39.063 1.00 0.00 C ATOM 881 OH TYR A 62 22.742 14.492 -40.210 1.00 0.00 O ATOM 0 H TYR A 62 25.199 9.232 -34.438 1.00 0.00 H new ATOM 0 HA TYR A 62 22.611 9.956 -35.641 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.388 12.022 -34.657 1.00 0.00 H new ATOM 0 HB3 TYR A 62 25.020 11.761 -35.240 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.530 12.065 -36.604 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.674 12.880 -37.182 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.000 13.309 -38.651 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.144 14.126 -39.230 1.00 0.00 H new ATOM 0 HH TYR A 62 21.851 14.892 -40.128 1.00 0.00 H new ATOM 891 N ASN A 63 23.479 9.274 -37.859 1.00 0.00 N ATOM 892 CA ASN A 63 23.954 8.738 -39.129 1.00 0.00 C ATOM 893 C ASN A 63 24.514 7.329 -38.951 1.00 0.00 C ATOM 894 O ASN A 63 25.101 6.764 -39.874 1.00 0.00 O ATOM 895 CB ASN A 63 25.023 9.655 -39.725 1.00 0.00 C ATOM 896 CG ASN A 63 24.746 9.999 -41.174 1.00 0.00 C ATOM 897 OD1 ASN A 63 24.870 9.154 -42.061 1.00 0.00 O ATOM 898 ND2 ASN A 63 24.368 11.248 -41.424 1.00 0.00 N ATOM 0 H ASN A 63 22.469 9.406 -37.808 1.00 0.00 H new ATOM 0 HA ASN A 63 23.107 8.687 -39.813 1.00 0.00 H new ATOM 0 HB2 ASN A 63 25.077 10.573 -39.140 1.00 0.00 H new ATOM 0 HB3 ASN A 63 25.997 9.171 -39.649 1.00 0.00 H new ATOM 0 HD21 ASN A 63 24.168 11.538 -42.381 1.00 0.00 H new ATOM 0 HD22 ASN A 63 24.278 11.916 -40.659 1.00 0.00 H new ATOM 905 N GLY A 64 24.325 6.766 -37.761 1.00 0.00 N ATOM 906 CA GLY A 64 24.816 5.427 -37.489 1.00 0.00 C ATOM 907 C GLY A 64 26.072 5.427 -36.640 1.00 0.00 C ATOM 908 O GLY A 64 26.496 4.380 -36.150 1.00 0.00 O ATOM 0 H GLY A 64 23.841 7.212 -36.982 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.039 4.855 -36.981 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.020 4.920 -38.432 1.00 0.00 H new ATOM 912 N ARG A 65 26.668 6.600 -36.464 1.00 0.00 N ATOM 913 CA ARG A 65 27.882 6.727 -35.667 1.00 0.00 C ATOM 914 C ARG A 65 27.559 7.274 -34.280 1.00 0.00 C ATOM 915 O ARG A 65 26.397 7.319 -33.879 1.00 0.00 O ATOM 916 CB ARG A 65 28.892 7.639 -36.369 1.00 0.00 C ATOM 917 CG ARG A 65 28.379 9.053 -36.604 1.00 0.00 C ATOM 918 CD ARG A 65 28.123 9.329 -38.078 1.00 0.00 C ATOM 919 NE ARG A 65 27.872 8.105 -38.827 1.00 0.00 N ATOM 920 CZ ARG A 65 28.032 7.998 -40.142 1.00 0.00 C ATOM 921 NH1 ARG A 65 28.448 9.040 -40.849 1.00 0.00 N ATOM 922 NH2 ARG A 65 27.779 6.847 -40.749 1.00 0.00 N ATOM 0 H ARG A 65 26.331 7.476 -36.862 1.00 0.00 H new ATOM 0 HA ARG A 65 28.322 5.736 -35.557 1.00 0.00 H new ATOM 0 HB2 ARG A 65 29.802 7.687 -35.771 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.163 7.196 -37.327 1.00 0.00 H new ATOM 0 HG2 ARG A 65 27.457 9.202 -36.042 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.105 9.770 -36.222 1.00 0.00 H new ATOM 0 HD2 ARG A 65 27.268 9.997 -38.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 28.983 9.845 -38.505 1.00 0.00 H new ATOM 0 HE ARG A 65 27.555 7.283 -38.313 1.00 0.00 H new ATOM 0 HH11 ARG A 65 28.646 9.926 -40.384 1.00 0.00 H new ATOM 0 HH12 ARG A 65 28.570 8.956 -41.858 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.462 6.043 -40.207 1.00 0.00 H new ATOM 0 HH22 ARG A 65 27.902 6.765 -41.758 1.00 0.00 H new ATOM 936 N THR A 66 28.591 7.689 -33.554 1.00 0.00 N ATOM 937 CA THR A 66 28.406 8.230 -32.214 1.00 0.00 C ATOM 938 C THR A 66 29.286 9.455 -31.989 1.00 0.00 C ATOM 939 O THR A 66 30.322 9.614 -32.635 1.00 0.00 O ATOM 940 CB THR A 66 28.719 7.178 -31.133 1.00 0.00 C ATOM 941 OG1 THR A 66 27.986 5.976 -31.392 1.00 0.00 O ATOM 942 CG2 THR A 66 28.366 7.704 -29.751 1.00 0.00 C ATOM 0 H THR A 66 29.560 7.661 -33.870 1.00 0.00 H new ATOM 0 HA THR A 66 27.358 8.520 -32.133 1.00 0.00 H new ATOM 0 HB THR A 66 29.787 6.965 -31.163 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.192 5.312 -30.701 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.595 6.945 -29.003 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.946 8.603 -29.545 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.303 7.942 -29.713 1.00 0.00 H new ATOM 950 N PHE A 67 28.865 10.320 -31.071 1.00 0.00 N ATOM 951 CA PHE A 67 29.615 11.532 -30.766 1.00 0.00 C ATOM 952 C PHE A 67 29.571 11.845 -29.273 1.00 0.00 C ATOM 953 O PHE A 67 28.536 12.249 -28.743 1.00 0.00 O ATOM 954 CB PHE A 67 29.060 12.715 -31.561 1.00 0.00 C ATOM 955 CG PHE A 67 28.709 12.374 -32.982 1.00 0.00 C ATOM 956 CD1 PHE A 67 27.615 11.574 -33.266 1.00 0.00 C ATOM 957 CD2 PHE A 67 29.476 12.853 -34.032 1.00 0.00 C ATOM 958 CE1 PHE A 67 27.290 11.260 -34.572 1.00 0.00 C ATOM 959 CE2 PHE A 67 29.156 12.541 -35.339 1.00 0.00 C ATOM 960 CZ PHE A 67 28.061 11.744 -35.610 1.00 0.00 C ATOM 0 H PHE A 67 28.010 10.204 -30.527 1.00 0.00 H new ATOM 0 HA PHE A 67 30.653 11.364 -31.052 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.171 13.095 -31.057 1.00 0.00 H new ATOM 0 HB3 PHE A 67 29.796 13.519 -31.560 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.009 11.191 -32.458 1.00 0.00 H new ATOM 0 HD2 PHE A 67 30.333 13.477 -33.826 1.00 0.00 H new ATOM 0 HE1 PHE A 67 26.433 10.636 -34.781 1.00 0.00 H new ATOM 0 HE2 PHE A 67 29.762 12.920 -36.149 1.00 0.00 H new ATOM 0 HZ PHE A 67 27.809 11.500 -36.631 1.00 0.00 H new ATOM 970 N TYR A 68 30.705 11.661 -28.604 1.00 0.00 N ATOM 971 CA TYR A 68 30.803 11.929 -27.173 1.00 0.00 C ATOM 972 C TYR A 68 30.684 13.425 -26.897 1.00 0.00 C ATOM 973 O TYR A 68 30.505 13.843 -25.754 1.00 0.00 O ATOM 974 CB TYR A 68 32.136 11.404 -26.628 1.00 0.00 C ATOM 975 CG TYR A 68 32.092 9.964 -26.172 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.442 8.995 -26.924 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.704 9.574 -24.987 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.401 7.677 -26.508 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.668 8.259 -24.565 1.00 0.00 C ATOM 980 CZ TYR A 68 32.015 7.315 -25.329 1.00 0.00 C ATOM 981 OH TYR A 68 31.973 6.004 -24.911 1.00 0.00 O ATOM 0 H TYR A 68 31.570 11.327 -29.030 1.00 0.00 H new ATOM 0 HA TYR A 68 29.984 11.415 -26.670 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.898 11.506 -27.401 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.446 12.030 -25.791 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.960 9.275 -27.849 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.216 10.311 -24.386 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.890 6.935 -27.104 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.149 7.972 -23.642 1.00 0.00 H new ATOM 0 HH TYR A 68 31.928 5.413 -25.692 1.00 0.00 H new ATOM 991 N SER A 69 30.782 14.223 -27.955 1.00 0.00 N ATOM 992 CA SER A 69 30.683 15.671 -27.832 1.00 0.00 C ATOM 993 C SER A 69 30.098 16.282 -29.100 1.00 0.00 C ATOM 994 O SER A 69 29.528 15.577 -29.933 1.00 0.00 O ATOM 995 CB SER A 69 32.061 16.274 -27.550 1.00 0.00 C ATOM 996 OG SER A 69 33.058 15.267 -27.502 1.00 0.00 O ATOM 0 H SER A 69 30.930 13.890 -28.908 1.00 0.00 H new ATOM 0 HA SER A 69 30.018 15.898 -26.999 1.00 0.00 H new ATOM 0 HB2 SER A 69 32.309 17.000 -28.325 1.00 0.00 H new ATOM 0 HB3 SER A 69 32.039 16.814 -26.603 1.00 0.00 H new ATOM 0 HG SER A 69 33.914 15.640 -27.799 1.00 0.00 H new ATOM 1002 N CYS A 70 30.242 17.594 -29.240 1.00 0.00 N ATOM 1003 CA CYS A 70 29.729 18.299 -30.404 1.00 0.00 C ATOM 1004 C CYS A 70 30.400 17.798 -31.680 1.00 0.00 C ATOM 1005 O CYS A 70 31.363 17.035 -31.625 1.00 0.00 O ATOM 1006 CB CYS A 70 29.953 19.802 -30.245 1.00 0.00 C ATOM 1007 SG CYS A 70 29.124 20.522 -28.791 1.00 0.00 S ATOM 0 H CYS A 70 30.711 18.191 -28.559 1.00 0.00 H new ATOM 0 HA CYS A 70 28.659 18.105 -30.482 1.00 0.00 H new ATOM 0 HB2 CYS A 70 31.023 19.994 -30.173 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.598 20.309 -31.142 1.00 0.00 H new ATOM 1012 N THR A 71 29.885 18.231 -32.825 1.00 0.00 N ATOM 1013 CA THR A 71 30.437 17.822 -34.110 1.00 0.00 C ATOM 1014 C THR A 71 29.848 18.642 -35.251 1.00 0.00 C ATOM 1015 O THR A 71 28.916 19.422 -35.053 1.00 0.00 O ATOM 1016 CB THR A 71 30.177 16.330 -34.387 1.00 0.00 C ATOM 1017 OG1 THR A 71 30.799 15.943 -35.618 1.00 0.00 O ATOM 1018 CG2 THR A 71 28.684 16.046 -34.459 1.00 0.00 C ATOM 0 H THR A 71 29.088 18.864 -32.889 1.00 0.00 H new ATOM 0 HA THR A 71 31.512 17.995 -34.056 1.00 0.00 H new ATOM 0 HB THR A 71 30.604 15.752 -33.567 1.00 0.00 H new ATOM 0 HG1 THR A 71 30.723 14.973 -35.732 1.00 0.00 H new ATOM 0 HG21 THR A 71 28.524 14.986 -34.656 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.217 16.314 -33.511 1.00 0.00 H new ATOM 0 HG23 THR A 71 28.240 16.635 -35.262 1.00 0.00 H new ATOM 1026 N THR A 72 30.394 18.454 -36.446 1.00 0.00 N ATOM 1027 CA THR A 72 29.924 19.169 -37.623 1.00 0.00 C ATOM 1028 C THR A 72 29.744 18.216 -38.799 1.00 0.00 C ATOM 1029 O THR A 72 30.463 18.300 -39.795 1.00 0.00 O ATOM 1030 CB THR A 72 30.898 20.292 -38.028 1.00 0.00 C ATOM 1031 OG1 THR A 72 32.251 19.831 -37.921 1.00 0.00 O ATOM 1032 CG2 THR A 72 30.704 21.517 -37.147 1.00 0.00 C ATOM 0 H THR A 72 31.165 17.810 -36.624 1.00 0.00 H new ATOM 0 HA THR A 72 28.963 19.614 -37.364 1.00 0.00 H new ATOM 0 HB THR A 72 30.690 20.569 -39.062 1.00 0.00 H new ATOM 0 HG1 THR A 72 32.863 20.550 -38.182 1.00 0.00 H new ATOM 0 HG21 THR A 72 31.402 22.298 -37.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 29.683 21.883 -37.252 1.00 0.00 H new ATOM 0 HG23 THR A 72 30.889 21.250 -36.107 1.00 0.00 H new ATOM 1040 N GLU A 73 28.782 17.307 -38.676 1.00 0.00 N ATOM 1041 CA GLU A 73 28.511 16.333 -39.727 1.00 0.00 C ATOM 1042 C GLU A 73 27.156 16.589 -40.376 1.00 0.00 C ATOM 1043 O GLU A 73 27.071 16.899 -41.565 1.00 0.00 O ATOM 1044 CB GLU A 73 28.557 14.915 -39.159 1.00 0.00 C ATOM 1045 CG GLU A 73 29.890 14.216 -39.374 1.00 0.00 C ATOM 1046 CD GLU A 73 30.212 14.014 -40.842 1.00 0.00 C ATOM 1047 OE1 GLU A 73 30.741 14.955 -41.469 1.00 0.00 O ATOM 1048 OE2 GLU A 73 29.933 12.915 -41.365 1.00 0.00 O ATOM 0 H GLU A 73 28.177 17.225 -37.859 1.00 0.00 H new ATOM 0 HA GLU A 73 29.282 16.438 -40.490 1.00 0.00 H new ATOM 0 HB2 GLU A 73 28.345 14.954 -38.091 1.00 0.00 H new ATOM 0 HB3 GLU A 73 27.767 14.322 -39.620 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.683 14.802 -38.909 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.874 13.248 -38.873 1.00 0.00 H new ATOM 1055 N GLY A 74 26.097 16.448 -39.589 1.00 0.00 N ATOM 1056 CA GLY A 74 24.757 16.660 -40.100 1.00 0.00 C ATOM 1057 C GLY A 74 24.335 18.114 -40.048 1.00 0.00 C ATOM 1058 O GLY A 74 23.323 18.454 -39.437 1.00 0.00 O ATOM 0 H GLY A 74 26.143 16.190 -38.603 1.00 0.00 H new ATOM 0 HA2 GLY A 74 24.705 16.308 -41.130 1.00 0.00 H new ATOM 0 HA3 GLY A 74 24.053 16.061 -39.522 1.00 0.00 H new ATOM 1122 N HIS A 79 28.701 25.374 -37.744 1.00 0.00 N ATOM 1123 CA HIS A 79 28.797 25.523 -36.296 1.00 0.00 C ATOM 1124 C HIS A 79 28.648 24.174 -35.599 1.00 0.00 C ATOM 1125 O HIS A 79 27.675 23.455 -35.825 1.00 0.00 O ATOM 1126 CB HIS A 79 27.725 26.490 -35.791 1.00 0.00 C ATOM 1127 CG HIS A 79 27.453 27.628 -36.726 1.00 0.00 C ATOM 1128 ND1 HIS A 79 26.256 27.786 -37.392 1.00 0.00 N ATOM 1129 CD2 HIS A 79 28.233 28.669 -37.107 1.00 0.00 C ATOM 1130 CE1 HIS A 79 26.311 28.873 -38.141 1.00 0.00 C ATOM 1131 NE2 HIS A 79 27.500 29.426 -37.985 1.00 0.00 N ATOM 0 HA HIS A 79 29.782 25.927 -36.062 1.00 0.00 H new ATOM 0 HB2 HIS A 79 26.800 25.938 -35.625 1.00 0.00 H new ATOM 0 HB3 HIS A 79 28.035 26.890 -34.826 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.243 28.866 -36.780 1.00 0.00 H new ATOM 0 HE1 HIS A 79 25.519 29.246 -38.773 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.821 30.279 -38.443 1.00 0.00 H new ATOM 1140 N LEU A 80 29.611 23.840 -34.746 1.00 0.00 N ATOM 1141 CA LEU A 80 29.572 22.581 -34.014 1.00 0.00 C ATOM 1142 C LEU A 80 28.193 22.368 -33.403 1.00 0.00 C ATOM 1143 O LEU A 80 27.606 23.294 -32.845 1.00 0.00 O ATOM 1144 CB LEU A 80 30.638 22.578 -32.917 1.00 0.00 C ATOM 1145 CG LEU A 80 32.047 22.212 -33.382 1.00 0.00 C ATOM 1146 CD1 LEU A 80 32.484 23.114 -34.526 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.029 22.304 -32.224 1.00 0.00 C ATOM 0 H LEU A 80 30.425 24.422 -34.546 1.00 0.00 H new ATOM 0 HA LEU A 80 29.777 21.766 -34.709 1.00 0.00 H new ATOM 0 HB2 LEU A 80 30.669 23.567 -32.459 1.00 0.00 H new ATOM 0 HB3 LEU A 80 30.335 21.876 -32.140 1.00 0.00 H new ATOM 0 HG LEU A 80 32.034 21.184 -33.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 33.490 22.838 -34.843 1.00 0.00 H new ATOM 0 HD12 LEU A 80 31.795 23.000 -35.363 1.00 0.00 H new ATOM 0 HD13 LEU A 80 32.481 24.152 -34.193 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.028 22.040 -32.572 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.038 23.322 -31.834 1.00 0.00 H new ATOM 0 HD23 LEU A 80 32.726 21.616 -31.435 1.00 0.00 H new ATOM 1159 N TRP A 81 27.673 21.150 -33.519 1.00 0.00 N ATOM 1160 CA TRP A 81 26.354 20.837 -32.982 1.00 0.00 C ATOM 1161 C TRP A 81 26.330 19.462 -32.321 1.00 0.00 C ATOM 1162 O TRP A 81 27.144 18.593 -32.634 1.00 0.00 O ATOM 1163 CB TRP A 81 25.309 20.889 -34.098 1.00 0.00 C ATOM 1164 CG TRP A 81 25.426 19.757 -35.072 1.00 0.00 C ATOM 1165 CD1 TRP A 81 26.134 19.748 -36.242 1.00 0.00 C ATOM 1166 CD2 TRP A 81 24.817 18.466 -34.962 1.00 0.00 C ATOM 1167 NE1 TRP A 81 26.001 18.529 -36.862 1.00 0.00 N ATOM 1168 CE2 TRP A 81 25.198 17.725 -36.096 1.00 0.00 C ATOM 1169 CE3 TRP A 81 23.988 17.862 -34.011 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 24.778 16.414 -36.305 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 23.571 16.561 -34.221 1.00 0.00 C ATOM 1172 CH2 TRP A 81 23.967 15.849 -35.360 1.00 0.00 C ATOM 0 H TRP A 81 28.142 20.368 -33.977 1.00 0.00 H new ATOM 0 HA TRP A 81 26.119 21.583 -32.223 1.00 0.00 H new ATOM 0 HB2 TRP A 81 24.313 20.876 -33.655 1.00 0.00 H new ATOM 0 HB3 TRP A 81 25.407 21.833 -34.635 1.00 0.00 H new ATOM 0 HD1 TRP A 81 26.712 20.577 -36.623 1.00 0.00 H new ATOM 0 HE1 TRP A 81 26.430 18.265 -37.749 1.00 0.00 H new ATOM 0 HE3 TRP A 81 23.679 18.402 -33.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 25.082 15.863 -37.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 22.929 16.086 -33.494 1.00 0.00 H new ATOM 0 HH2 TRP A 81 23.625 14.833 -35.495 1.00 0.00 H new ATOM 1183 N CYS A 82 25.380 19.273 -31.410 1.00 0.00 N ATOM 1184 CA CYS A 82 25.224 18.006 -30.704 1.00 0.00 C ATOM 1185 C CYS A 82 23.746 17.711 -30.465 1.00 0.00 C ATOM 1186 O CYS A 82 22.877 18.403 -30.994 1.00 0.00 O ATOM 1187 CB CYS A 82 25.982 18.033 -29.373 1.00 0.00 C ATOM 1188 SG CYS A 82 25.855 19.609 -28.469 1.00 0.00 S ATOM 0 H CYS A 82 24.702 19.987 -31.142 1.00 0.00 H new ATOM 0 HA CYS A 82 25.644 17.213 -31.323 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.605 17.232 -28.737 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.034 17.821 -29.563 1.00 0.00 H new ATOM 1193 N SER A 83 23.462 16.683 -29.671 1.00 0.00 N ATOM 1194 CA SER A 83 22.082 16.313 -29.378 1.00 0.00 C ATOM 1195 C SER A 83 21.707 16.687 -27.947 1.00 0.00 C ATOM 1196 O SER A 83 22.574 16.823 -27.087 1.00 0.00 O ATOM 1197 CB SER A 83 21.874 14.812 -29.595 1.00 0.00 C ATOM 1198 OG SER A 83 20.661 14.374 -29.007 1.00 0.00 O ATOM 0 H SER A 83 24.164 16.095 -29.222 1.00 0.00 H new ATOM 0 HA SER A 83 21.435 16.865 -30.060 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.863 14.594 -30.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.710 14.260 -29.165 1.00 0.00 H new ATOM 0 HG SER A 83 20.471 13.456 -29.294 1.00 0.00 H new ATOM 1204 N THR A 84 20.412 16.852 -27.702 1.00 0.00 N ATOM 1205 CA THR A 84 19.926 17.211 -26.374 1.00 0.00 C ATOM 1206 C THR A 84 18.937 16.173 -25.849 1.00 0.00 C ATOM 1207 O THR A 84 18.630 16.141 -24.658 1.00 0.00 O ATOM 1208 CB THR A 84 19.248 18.595 -26.376 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.960 18.509 -26.999 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.105 19.618 -27.108 1.00 0.00 C ATOM 0 H THR A 84 19.680 16.743 -28.404 1.00 0.00 H new ATOM 0 HA THR A 84 20.797 17.243 -25.719 1.00 0.00 H new ATOM 0 HB THR A 84 19.130 18.918 -25.342 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.631 19.411 -27.197 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.605 20.587 -27.096 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.073 19.703 -26.613 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.252 19.298 -28.140 1.00 0.00 H new ATOM 1218 N THR A 85 18.445 15.323 -26.747 1.00 0.00 N ATOM 1219 CA THR A 85 17.494 14.282 -26.377 1.00 0.00 C ATOM 1220 C THR A 85 18.000 12.908 -26.801 1.00 0.00 C ATOM 1221 O THR A 85 18.310 12.685 -27.972 1.00 0.00 O ATOM 1222 CB THR A 85 16.113 14.527 -27.020 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.616 15.814 -26.637 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.122 13.449 -26.604 1.00 0.00 C ATOM 0 H THR A 85 18.691 15.336 -27.737 1.00 0.00 H new ATOM 0 HA THR A 85 17.392 14.315 -25.292 1.00 0.00 H new ATOM 0 HB THR A 85 16.230 14.491 -28.103 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.740 15.963 -27.050 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.156 13.643 -27.070 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.489 12.474 -26.924 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.010 13.457 -25.520 1.00 0.00 H new ATOM 1232 N SER A 86 18.083 11.988 -25.846 1.00 0.00 N ATOM 1233 CA SER A 86 18.553 10.637 -26.129 1.00 0.00 C ATOM 1234 C SER A 86 17.974 10.129 -27.446 1.00 0.00 C ATOM 1235 O SER A 86 18.615 9.362 -28.164 1.00 0.00 O ATOM 1236 CB SER A 86 18.170 9.690 -24.990 1.00 0.00 C ATOM 1237 OG SER A 86 19.314 9.042 -24.460 1.00 0.00 O ATOM 0 H SER A 86 17.832 12.153 -24.871 1.00 0.00 H new ATOM 0 HA SER A 86 19.639 10.666 -26.215 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.667 10.249 -24.201 1.00 0.00 H new ATOM 0 HB3 SER A 86 17.462 8.945 -25.354 1.00 0.00 H new ATOM 0 HG SER A 86 19.043 8.444 -23.733 1.00 0.00 H new ATOM 1243 N ASN A 87 16.757 10.564 -27.757 1.00 0.00 N ATOM 1244 CA ASN A 87 16.090 10.155 -28.988 1.00 0.00 C ATOM 1245 C ASN A 87 16.044 11.303 -29.992 1.00 0.00 C ATOM 1246 O ASN A 87 14.972 11.817 -30.309 1.00 0.00 O ATOM 1247 CB ASN A 87 14.668 9.674 -28.689 1.00 0.00 C ATOM 1248 CG ASN A 87 14.359 8.344 -29.344 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.093 7.351 -28.666 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.391 8.316 -30.671 1.00 0.00 N ATOM 0 H ASN A 87 16.213 11.200 -27.174 1.00 0.00 H new ATOM 0 HA ASN A 87 16.662 9.336 -29.423 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.537 9.584 -27.611 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.954 10.421 -29.036 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.190 7.448 -31.168 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.616 9.162 -31.194 1.00 0.00 H new ATOM 1257 N TYR A 88 17.210 11.696 -30.494 1.00 0.00 N ATOM 1258 CA TYR A 88 17.296 12.780 -31.465 1.00 0.00 C ATOM 1259 C TYR A 88 16.770 12.327 -32.823 1.00 0.00 C ATOM 1260 O TYR A 88 16.544 13.144 -33.717 1.00 0.00 O ATOM 1261 CB TYR A 88 18.742 13.265 -31.592 1.00 0.00 C ATOM 1262 CG TYR A 88 19.043 13.960 -32.902 1.00 0.00 C ATOM 1263 CD1 TYR A 88 19.155 13.237 -34.083 1.00 0.00 C ATOM 1264 CD2 TYR A 88 19.213 15.338 -32.957 1.00 0.00 C ATOM 1265 CE1 TYR A 88 19.431 13.868 -35.281 1.00 0.00 C ATOM 1266 CE2 TYR A 88 19.488 15.976 -34.152 1.00 0.00 C ATOM 1267 CZ TYR A 88 19.596 15.236 -35.310 1.00 0.00 C ATOM 1268 OH TYR A 88 19.871 15.867 -36.502 1.00 0.00 O ATOM 0 H TYR A 88 18.107 11.280 -30.245 1.00 0.00 H new ATOM 0 HA TYR A 88 16.678 13.607 -31.114 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.959 13.949 -30.771 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.412 12.412 -31.482 1.00 0.00 H new ATOM 0 HD1 TYR A 88 19.024 12.165 -34.065 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.129 15.920 -32.051 1.00 0.00 H new ATOM 0 HE1 TYR A 88 19.517 13.292 -36.190 1.00 0.00 H new ATOM 0 HE2 TYR A 88 19.617 17.048 -34.178 1.00 0.00 H new ATOM 0 HH TYR A 88 19.957 16.831 -36.349 1.00 0.00 H new ATOM 1278 N GLU A 89 16.577 11.021 -32.971 1.00 0.00 N ATOM 1279 CA GLU A 89 16.077 10.458 -34.219 1.00 0.00 C ATOM 1280 C GLU A 89 14.608 10.811 -34.423 1.00 0.00 C ATOM 1281 O GLU A 89 14.128 10.877 -35.555 1.00 0.00 O ATOM 1282 CB GLU A 89 16.257 8.939 -34.227 1.00 0.00 C ATOM 1283 CG GLU A 89 17.698 8.496 -34.423 1.00 0.00 C ATOM 1284 CD GLU A 89 17.825 6.999 -34.625 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.960 6.417 -35.313 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.790 6.408 -34.097 1.00 0.00 O ATOM 0 H GLU A 89 16.760 10.332 -32.241 1.00 0.00 H new ATOM 0 HA GLU A 89 16.652 10.887 -35.039 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.886 8.533 -33.286 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.644 8.513 -35.021 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.119 9.012 -35.286 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.287 8.793 -33.555 1.00 0.00 H new ATOM 1293 N GLN A 90 13.898 11.036 -33.322 1.00 0.00 N ATOM 1294 CA GLN A 90 12.483 11.382 -33.384 1.00 0.00 C ATOM 1295 C GLN A 90 12.240 12.788 -32.846 1.00 0.00 C ATOM 1296 O GLN A 90 11.347 13.495 -33.312 1.00 0.00 O ATOM 1297 CB GLN A 90 11.655 10.370 -32.593 1.00 0.00 C ATOM 1298 CG GLN A 90 11.744 10.565 -31.091 1.00 0.00 C ATOM 1299 CD GLN A 90 10.444 11.056 -30.487 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.206 12.260 -30.389 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.591 10.124 -30.079 1.00 0.00 N ATOM 0 H GLN A 90 14.279 10.985 -32.377 1.00 0.00 H new ATOM 0 HA GLN A 90 12.175 11.356 -34.429 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.612 10.444 -32.901 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.990 9.363 -32.842 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.024 9.622 -30.622 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.536 11.280 -30.868 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.828 9.137 -30.179 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.699 10.395 -29.666 1.00 0.00 H new ATOM 1310 N ASP A 91 13.042 13.189 -31.863 1.00 0.00 N ATOM 1311 CA ASP A 91 12.910 14.513 -31.265 1.00 0.00 C ATOM 1312 C ASP A 91 13.479 15.584 -32.190 1.00 0.00 C ATOM 1313 O ASP A 91 12.809 16.568 -32.503 1.00 0.00 O ATOM 1314 CB ASP A 91 13.623 14.559 -29.912 1.00 0.00 C ATOM 1315 CG ASP A 91 12.662 14.404 -28.749 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.161 13.280 -28.538 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.412 15.407 -28.047 1.00 0.00 O ATOM 0 H ASP A 91 13.788 12.618 -31.465 1.00 0.00 H new ATOM 0 HA ASP A 91 11.849 14.713 -31.114 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.371 13.767 -29.871 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.156 15.505 -29.817 1.00 0.00 H new ATOM 1322 N GLN A 92 14.718 15.385 -32.626 1.00 0.00 N ATOM 1323 CA GLN A 92 15.377 16.333 -33.518 1.00 0.00 C ATOM 1324 C GLN A 92 15.842 17.570 -32.757 1.00 0.00 C ATOM 1325 O GLN A 92 15.877 18.671 -33.306 1.00 0.00 O ATOM 1326 CB GLN A 92 14.430 16.742 -34.647 1.00 0.00 C ATOM 1327 CG GLN A 92 15.140 17.052 -35.954 1.00 0.00 C ATOM 1328 CD GLN A 92 15.447 15.805 -36.761 1.00 0.00 C ATOM 1329 OE1 GLN A 92 16.597 15.554 -37.121 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.417 15.018 -37.048 1.00 0.00 N ATOM 0 H GLN A 92 15.287 14.576 -32.376 1.00 0.00 H new ATOM 0 HA GLN A 92 16.253 15.843 -33.943 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.711 15.940 -34.815 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.863 17.619 -34.334 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.520 17.722 -36.550 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.069 17.581 -35.742 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.481 15.266 -36.728 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.562 14.165 -37.588 1.00 0.00 H new ATOM 1339 N LYS A 93 16.201 17.383 -31.492 1.00 0.00 N ATOM 1340 CA LYS A 93 16.666 18.485 -30.658 1.00 0.00 C ATOM 1341 C LYS A 93 18.190 18.516 -30.602 1.00 0.00 C ATOM 1342 O LYS A 93 18.813 17.687 -29.938 1.00 0.00 O ATOM 1343 CB LYS A 93 16.093 18.365 -29.245 1.00 0.00 C ATOM 1344 CG LYS A 93 14.633 18.776 -29.142 1.00 0.00 C ATOM 1345 CD LYS A 93 13.866 18.437 -30.410 1.00 0.00 C ATOM 1346 CE LYS A 93 12.363 18.484 -30.181 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.845 19.880 -30.181 1.00 0.00 N ATOM 0 H LYS A 93 16.179 16.478 -31.021 1.00 0.00 H new ATOM 0 HA LYS A 93 16.316 19.417 -31.103 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.196 17.334 -28.907 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.684 18.983 -28.569 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.172 18.273 -28.292 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.568 19.847 -28.952 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.137 19.138 -31.199 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.152 17.443 -30.755 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.859 17.910 -30.958 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.126 18.009 -29.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.817 19.869 -30.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.307 20.422 -29.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.049 20.326 -31.098 1.00 0.00 H new ATOM 1361 N TYR A 94 18.784 19.474 -31.303 1.00 0.00 N ATOM 1362 CA TYR A 94 20.235 19.611 -31.335 1.00 0.00 C ATOM 1363 C TYR A 94 20.665 21.002 -30.881 1.00 0.00 C ATOM 1364 O TYR A 94 19.882 21.950 -30.921 1.00 0.00 O ATOM 1365 CB TYR A 94 20.763 19.342 -32.745 1.00 0.00 C ATOM 1366 CG TYR A 94 20.600 20.515 -33.687 1.00 0.00 C ATOM 1367 CD1 TYR A 94 21.431 21.625 -33.596 1.00 0.00 C ATOM 1368 CD2 TYR A 94 19.614 20.512 -34.667 1.00 0.00 C ATOM 1369 CE1 TYR A 94 21.285 22.698 -34.454 1.00 0.00 C ATOM 1370 CE2 TYR A 94 19.463 21.582 -35.529 1.00 0.00 C ATOM 1371 CZ TYR A 94 20.300 22.671 -35.418 1.00 0.00 C ATOM 1372 OH TYR A 94 20.152 23.738 -36.275 1.00 0.00 O ATOM 0 H TYR A 94 18.283 20.168 -31.857 1.00 0.00 H new ATOM 0 HA TYR A 94 20.656 18.877 -30.647 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.819 19.079 -32.684 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.243 18.479 -33.160 1.00 0.00 H new ATOM 0 HD1 TYR A 94 22.204 21.649 -32.842 1.00 0.00 H new ATOM 0 HD2 TYR A 94 18.956 19.660 -34.756 1.00 0.00 H new ATOM 0 HE1 TYR A 94 21.939 23.553 -34.370 1.00 0.00 H new ATOM 0 HE2 TYR A 94 18.693 21.565 -36.286 1.00 0.00 H new ATOM 0 HH TYR A 94 19.414 23.560 -36.894 1.00 0.00 H new ATOM 1382 N SER A 95 21.919 21.113 -30.454 1.00 0.00 N ATOM 1383 CA SER A 95 22.463 22.386 -29.997 1.00 0.00 C ATOM 1384 C SER A 95 23.720 22.742 -30.782 1.00 0.00 C ATOM 1385 O SER A 95 24.063 22.071 -31.756 1.00 0.00 O ATOM 1386 CB SER A 95 22.780 22.323 -28.502 1.00 0.00 C ATOM 1387 OG SER A 95 22.082 21.260 -27.875 1.00 0.00 O ATOM 0 H SER A 95 22.578 20.335 -30.415 1.00 0.00 H new ATOM 0 HA SER A 95 21.714 23.160 -30.166 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.853 22.191 -28.360 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.510 23.268 -28.030 1.00 0.00 H new ATOM 0 HG SER A 95 22.578 20.424 -28.001 1.00 0.00 H new ATOM 1393 N PHE A 96 24.405 23.797 -30.356 1.00 0.00 N ATOM 1394 CA PHE A 96 25.624 24.231 -31.027 1.00 0.00 C ATOM 1395 C PHE A 96 26.832 24.095 -30.108 1.00 0.00 C ATOM 1396 O PHE A 96 26.734 23.531 -29.017 1.00 0.00 O ATOM 1397 CB PHE A 96 25.486 25.680 -31.498 1.00 0.00 C ATOM 1398 CG PHE A 96 24.858 25.814 -32.857 1.00 0.00 C ATOM 1399 CD1 PHE A 96 25.162 24.915 -33.868 1.00 0.00 C ATOM 1400 CD2 PHE A 96 23.964 26.838 -33.122 1.00 0.00 C ATOM 1401 CE1 PHE A 96 24.585 25.037 -35.118 1.00 0.00 C ATOM 1402 CE2 PHE A 96 23.385 26.965 -34.369 1.00 0.00 C ATOM 1403 CZ PHE A 96 23.695 26.064 -35.369 1.00 0.00 C ATOM 0 H PHE A 96 24.138 24.366 -29.552 1.00 0.00 H new ATOM 0 HA PHE A 96 25.778 23.588 -31.894 1.00 0.00 H new ATOM 0 HB2 PHE A 96 24.887 26.233 -30.774 1.00 0.00 H new ATOM 0 HB3 PHE A 96 26.473 26.143 -31.516 1.00 0.00 H new ATOM 0 HD1 PHE A 96 25.857 24.111 -33.677 1.00 0.00 H new ATOM 0 HD2 PHE A 96 23.717 27.545 -32.344 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.829 24.331 -35.898 1.00 0.00 H new ATOM 0 HE2 PHE A 96 22.690 27.769 -34.562 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.243 26.162 -36.345 1.00 0.00 H new ATOM 1413 N CYS A 97 27.972 24.612 -30.554 1.00 0.00 N ATOM 1414 CA CYS A 97 29.200 24.546 -29.771 1.00 0.00 C ATOM 1415 C CYS A 97 30.150 25.678 -30.145 1.00 0.00 C ATOM 1416 O CYS A 97 30.452 25.886 -31.321 1.00 0.00 O ATOM 1417 CB CYS A 97 29.890 23.199 -29.985 1.00 0.00 C ATOM 1418 SG CYS A 97 30.144 22.244 -28.455 1.00 0.00 S ATOM 0 H CYS A 97 28.071 25.082 -31.454 1.00 0.00 H new ATOM 0 HA CYS A 97 28.935 24.653 -28.719 1.00 0.00 H new ATOM 0 HB2 CYS A 97 29.295 22.604 -30.678 1.00 0.00 H new ATOM 0 HB3 CYS A 97 30.856 23.369 -30.459 1.00 0.00 H new ATOM 1423 N THR A 98 30.621 26.405 -29.138 1.00 0.00 N ATOM 1424 CA THR A 98 31.540 27.516 -29.361 1.00 0.00 C ATOM 1425 C THR A 98 32.955 27.016 -29.632 1.00 0.00 C ATOM 1426 O THR A 98 33.878 27.808 -29.823 1.00 0.00 O ATOM 1427 CB THR A 98 31.570 28.475 -28.155 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.781 29.241 -28.168 1.00 0.00 O ATOM 1429 CG2 THR A 98 31.465 27.705 -26.846 1.00 0.00 C ATOM 0 H THR A 98 30.382 26.245 -28.159 1.00 0.00 H new ATOM 0 HA THR A 98 31.174 28.055 -30.235 1.00 0.00 H new ATOM 0 HB THR A 98 30.715 29.146 -28.232 1.00 0.00 H new ATOM 0 HG1 THR A 98 33.149 29.256 -29.076 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.488 28.404 -26.010 1.00 0.00 H new ATOM 0 HG22 THR A 98 30.529 27.147 -26.826 1.00 0.00 H new ATOM 0 HG23 THR A 98 32.302 27.012 -26.763 1.00 0.00 H new