USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= 0 X(o=-0.17,f=-0.17) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.51) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 26 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.8) USER MOD Set 3.1: A 3 HIS : no HD1:sc= -2.35 X(o=-4.8,f=-4.3!) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= -2.45 USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 8 SER OG : rot -85:sc= 1 USER MOD Single : A 12 TYR OH : rot -122:sc= 1.02 USER MOD Single : A 16 MET CE :methyl 179:sc= -0.0812 (180deg=-0.0818) USER MOD Single : A 17 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.036) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -146:sc= -0.219 (180deg=-1.2) USER MOD Single : A 30 THR OG1 : rot -176:sc= -1.88! USER MOD Single : A 34 ASN : amide:sc= -3.18! C(o=-3.2!,f=-7.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 32:sc= 0.468 USER MOD Single : A 44 THR OG1 : rot -8:sc= 0.185 USER MOD Single : A 46 THR OG1 : rot -74:sc= 1.08 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 51 SER OG : rot -50:sc= -6.89! USER MOD Single : A 52 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.59) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.37) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 68 TYR OH : rot 15:sc= -0.532 USER MOD Single : A 69 SER OG : rot -43:sc= -0.0914 USER MOD Single : A 71 THR OG1 : rot 130:sc= -1.47 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 79 HIS : no HE2:sc= -2.81! C(o=-2.8!,f=-3.9!) USER MOD Single : A 83 SER OG : rot -84:sc= -1.69! USER MOD Single : A 84 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -61:sc= 0.11 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -7.9! (180deg=-9.78!) USER MOD Single : A 94 TYR OH : rot -1:sc=-0.00457 USER MOD Single : A 95 SER OG : rot 132:sc= -1.39! USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.519! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 53.836 16.754 -33.936 1.00 0.00 N ATOM 2 CA TYR A 1 55.147 16.194 -34.358 1.00 0.00 C ATOM 3 C TYR A 1 55.419 14.855 -33.683 1.00 0.00 C ATOM 4 O TYR A 1 56.241 14.764 -32.770 1.00 0.00 O ATOM 5 CB TYR A 1 56.244 17.198 -34.000 1.00 0.00 C ATOM 6 CG TYR A 1 57.151 17.543 -35.159 1.00 0.00 C ATOM 7 CD1 TYR A 1 56.657 18.191 -36.283 1.00 0.00 C ATOM 8 CD2 TYR A 1 58.502 17.219 -35.128 1.00 0.00 C ATOM 9 CE1 TYR A 1 57.483 18.506 -37.345 1.00 0.00 C ATOM 10 CE2 TYR A 1 59.334 17.532 -36.185 1.00 0.00 C ATOM 11 CZ TYR A 1 58.821 18.175 -37.290 1.00 0.00 C ATOM 12 OH TYR A 1 59.646 18.488 -38.346 1.00 0.00 O ATOM 0 H1 TYR A 1 53.678 17.665 -34.412 1.00 0.00 H new ATOM 0 H2 TYR A 1 53.076 16.092 -34.195 1.00 0.00 H new ATOM 0 H3 TYR A 1 53.835 16.896 -32.906 1.00 0.00 H new ATOM 0 HA TYR A 1 55.131 16.021 -35.434 1.00 0.00 H new ATOM 0 HB2 TYR A 1 55.781 18.112 -33.628 1.00 0.00 H new ATOM 0 HB3 TYR A 1 56.846 16.791 -33.187 1.00 0.00 H new ATOM 0 HD1 TYR A 1 55.610 18.453 -36.328 1.00 0.00 H new ATOM 0 HD2 TYR A 1 58.908 16.714 -34.264 1.00 0.00 H new ATOM 0 HE1 TYR A 1 57.083 19.009 -38.213 1.00 0.00 H new ATOM 0 HE2 TYR A 1 60.382 17.274 -36.145 1.00 0.00 H new ATOM 0 HH TYR A 1 60.558 18.188 -38.149 1.00 0.00 H new ATOM 24 N GLY A 2 54.727 13.815 -34.138 1.00 0.00 N ATOM 25 CA GLY A 2 54.912 12.495 -33.566 1.00 0.00 C ATOM 26 C GLY A 2 53.599 11.779 -33.314 1.00 0.00 C ATOM 27 O GLY A 2 52.605 12.404 -32.946 1.00 0.00 O ATOM 0 H GLY A 2 54.042 13.863 -34.892 1.00 0.00 H new ATOM 0 HA2 GLY A 2 55.526 11.895 -34.238 1.00 0.00 H new ATOM 0 HA3 GLY A 2 55.459 12.583 -32.628 1.00 0.00 H new ATOM 31 N HIS A 3 53.597 10.465 -33.511 1.00 0.00 N ATOM 32 CA HIS A 3 52.399 9.664 -33.300 1.00 0.00 C ATOM 33 C HIS A 3 51.804 9.933 -31.923 1.00 0.00 C ATOM 34 O HIS A 3 52.474 10.479 -31.045 1.00 0.00 O ATOM 35 CB HIS A 3 52.731 8.179 -33.441 1.00 0.00 C ATOM 36 CG HIS A 3 52.757 7.700 -34.859 1.00 0.00 C ATOM 37 ND1 HIS A 3 53.394 8.382 -35.874 1.00 0.00 N ATOM 38 CD2 HIS A 3 52.223 6.593 -35.428 1.00 0.00 C ATOM 39 CE1 HIS A 3 53.249 7.717 -37.006 1.00 0.00 C ATOM 40 NE2 HIS A 3 52.544 6.628 -36.763 1.00 0.00 N ATOM 0 H HIS A 3 54.412 9.933 -33.816 1.00 0.00 H new ATOM 0 HA HIS A 3 51.663 9.942 -34.055 1.00 0.00 H new ATOM 0 HB2 HIS A 3 53.702 7.988 -32.984 1.00 0.00 H new ATOM 0 HB3 HIS A 3 51.997 7.597 -32.884 1.00 0.00 H new ATOM 0 HD2 HIS A 3 51.652 5.826 -34.926 1.00 0.00 H new ATOM 0 HE1 HIS A 3 53.641 8.014 -37.968 1.00 0.00 H new ATOM 0 HE2 HIS A 3 52.280 5.926 -37.455 1.00 0.00 H new ATOM 49 N CYS A 4 50.546 9.546 -31.737 1.00 0.00 N ATOM 50 CA CYS A 4 49.870 9.746 -30.458 1.00 0.00 C ATOM 51 C CYS A 4 49.647 8.416 -29.746 1.00 0.00 C ATOM 52 O CYS A 4 49.006 7.516 -30.282 1.00 0.00 O ATOM 53 CB CYS A 4 48.533 10.462 -30.663 1.00 0.00 C ATOM 54 SG CYS A 4 47.782 10.188 -32.304 1.00 0.00 S ATOM 0 H CYS A 4 49.975 9.094 -32.452 1.00 0.00 H new ATOM 0 HA CYS A 4 50.511 10.369 -29.834 1.00 0.00 H new ATOM 0 HB2 CYS A 4 47.834 10.129 -29.896 1.00 0.00 H new ATOM 0 HB3 CYS A 4 48.681 11.532 -30.517 1.00 0.00 H new ATOM 59 N VAL A 5 50.182 8.299 -28.537 1.00 0.00 N ATOM 60 CA VAL A 5 50.043 7.076 -27.755 1.00 0.00 C ATOM 61 C VAL A 5 49.299 7.338 -26.449 1.00 0.00 C ATOM 62 O VAL A 5 49.548 8.335 -25.771 1.00 0.00 O ATOM 63 CB VAL A 5 51.416 6.457 -27.433 1.00 0.00 C ATOM 64 CG1 VAL A 5 51.250 5.106 -26.754 1.00 0.00 C ATOM 65 CG2 VAL A 5 52.252 6.328 -28.697 1.00 0.00 C ATOM 0 H VAL A 5 50.716 9.036 -28.076 1.00 0.00 H new ATOM 0 HA VAL A 5 49.469 6.377 -28.363 1.00 0.00 H new ATOM 0 HB VAL A 5 51.939 7.120 -26.744 1.00 0.00 H new ATOM 0 HG11 VAL A 5 52.232 4.686 -26.535 1.00 0.00 H new ATOM 0 HG12 VAL A 5 50.694 5.232 -25.825 1.00 0.00 H new ATOM 0 HG13 VAL A 5 50.706 4.431 -27.415 1.00 0.00 H new ATOM 0 HG21 VAL A 5 53.219 5.889 -28.451 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.734 5.688 -29.412 1.00 0.00 H new ATOM 0 HG23 VAL A 5 52.403 7.314 -29.136 1.00 0.00 H new ATOM 75 N THR A 6 48.388 6.436 -26.102 1.00 0.00 N ATOM 76 CA THR A 6 47.609 6.567 -24.876 1.00 0.00 C ATOM 77 C THR A 6 48.454 6.239 -23.652 1.00 0.00 C ATOM 78 O THR A 6 48.391 6.933 -22.637 1.00 0.00 O ATOM 79 CB THR A 6 46.372 5.650 -24.891 1.00 0.00 C ATOM 80 OG1 THR A 6 46.765 4.292 -24.664 1.00 0.00 O ATOM 81 CG2 THR A 6 45.636 5.756 -26.217 1.00 0.00 C ATOM 0 H THR A 6 48.170 5.605 -26.653 1.00 0.00 H new ATOM 0 HA THR A 6 47.280 7.605 -24.822 1.00 0.00 H new ATOM 0 HB THR A 6 45.700 5.970 -24.095 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.972 3.716 -24.673 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.766 5.099 -26.204 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.312 6.785 -26.372 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.302 5.460 -27.027 1.00 0.00 H new ATOM 89 N ASP A 7 49.245 5.177 -23.754 1.00 0.00 N ATOM 90 CA ASP A 7 50.104 4.757 -22.653 1.00 0.00 C ATOM 91 C ASP A 7 51.037 3.632 -23.087 1.00 0.00 C ATOM 92 O ASP A 7 52.251 3.713 -22.900 1.00 0.00 O ATOM 93 CB ASP A 7 49.257 4.303 -21.463 1.00 0.00 C ATOM 94 CG ASP A 7 50.057 3.502 -20.455 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.385 2.334 -20.750 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.355 4.043 -19.370 1.00 0.00 O ATOM 0 H ASP A 7 49.309 4.592 -24.587 1.00 0.00 H new ATOM 0 HA ASP A 7 50.711 5.611 -22.354 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.829 5.176 -20.971 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.424 3.700 -21.823 1.00 0.00 H new ATOM 101 N SER A 8 50.460 2.586 -23.664 1.00 0.00 N ATOM 102 CA SER A 8 51.238 1.442 -24.125 1.00 0.00 C ATOM 103 C SER A 8 50.330 0.364 -24.712 1.00 0.00 C ATOM 104 O SER A 8 50.407 -0.803 -24.327 1.00 0.00 O ATOM 105 CB SER A 8 52.059 0.860 -22.972 1.00 0.00 C ATOM 106 OG SER A 8 51.235 0.146 -22.068 1.00 0.00 O ATOM 0 H SER A 8 49.456 2.505 -23.824 1.00 0.00 H new ATOM 0 HA SER A 8 51.914 1.787 -24.908 1.00 0.00 H new ATOM 0 HB2 SER A 8 52.829 0.198 -23.368 1.00 0.00 H new ATOM 0 HB3 SER A 8 52.571 1.664 -22.444 1.00 0.00 H new ATOM 0 HG SER A 8 50.850 0.768 -21.416 1.00 0.00 H new ATOM 112 N GLY A 9 49.471 0.763 -25.644 1.00 0.00 N ATOM 113 CA GLY A 9 48.562 -0.181 -26.268 1.00 0.00 C ATOM 114 C GLY A 9 48.182 0.226 -27.676 1.00 0.00 C ATOM 115 O GLY A 9 48.367 -0.537 -28.625 1.00 0.00 O ATOM 0 H GLY A 9 49.388 1.723 -25.978 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.026 -1.167 -26.291 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.660 -0.267 -25.662 1.00 0.00 H new ATOM 119 N VAL A 10 47.650 1.434 -27.811 1.00 0.00 N ATOM 120 CA VAL A 10 47.241 1.950 -29.112 1.00 0.00 C ATOM 121 C VAL A 10 48.089 3.149 -29.519 1.00 0.00 C ATOM 122 O VAL A 10 47.921 4.248 -28.990 1.00 0.00 O ATOM 123 CB VAL A 10 45.756 2.361 -29.112 1.00 0.00 C ATOM 124 CG1 VAL A 10 45.204 2.366 -30.529 1.00 0.00 C ATOM 125 CG2 VAL A 10 44.947 1.434 -28.220 1.00 0.00 C ATOM 0 H VAL A 10 47.491 2.076 -27.034 1.00 0.00 H new ATOM 0 HA VAL A 10 47.387 1.145 -29.832 1.00 0.00 H new ATOM 0 HB VAL A 10 45.677 3.372 -28.713 1.00 0.00 H new ATOM 0 HG11 VAL A 10 44.154 2.659 -30.509 1.00 0.00 H new ATOM 0 HG12 VAL A 10 45.767 3.075 -31.136 1.00 0.00 H new ATOM 0 HG13 VAL A 10 45.295 1.368 -30.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 43.901 1.739 -28.232 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.031 0.411 -28.587 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.328 1.486 -27.200 1.00 0.00 H new ATOM 135 N VAL A 11 49.002 2.930 -30.459 1.00 0.00 N ATOM 136 CA VAL A 11 49.878 3.991 -30.937 1.00 0.00 C ATOM 137 C VAL A 11 49.224 4.779 -32.065 1.00 0.00 C ATOM 138 O VAL A 11 49.526 4.572 -33.240 1.00 0.00 O ATOM 139 CB VAL A 11 51.225 3.432 -31.431 1.00 0.00 C ATOM 140 CG1 VAL A 11 52.209 4.563 -31.683 1.00 0.00 C ATOM 141 CG2 VAL A 11 51.790 2.437 -30.430 1.00 0.00 C ATOM 0 H VAL A 11 49.154 2.025 -30.905 1.00 0.00 H new ATOM 0 HA VAL A 11 50.058 4.654 -30.091 1.00 0.00 H new ATOM 0 HB VAL A 11 51.058 2.908 -32.372 1.00 0.00 H new ATOM 0 HG11 VAL A 11 53.156 4.151 -32.032 1.00 0.00 H new ATOM 0 HG12 VAL A 11 51.805 5.235 -32.440 1.00 0.00 H new ATOM 0 HG13 VAL A 11 52.373 5.116 -30.758 1.00 0.00 H new ATOM 0 HG21 VAL A 11 52.742 2.053 -30.797 1.00 0.00 H new ATOM 0 HG22 VAL A 11 51.944 2.933 -29.471 1.00 0.00 H new ATOM 0 HG23 VAL A 11 51.090 1.611 -30.303 1.00 0.00 H new ATOM 151 N TYR A 12 48.334 5.692 -31.695 1.00 0.00 N ATOM 152 CA TYR A 12 47.642 6.525 -32.667 1.00 0.00 C ATOM 153 C TYR A 12 48.642 7.345 -33.473 1.00 0.00 C ATOM 154 O TYR A 12 49.844 7.308 -33.207 1.00 0.00 O ATOM 155 CB TYR A 12 46.659 7.460 -31.961 1.00 0.00 C ATOM 156 CG TYR A 12 45.517 6.746 -31.280 1.00 0.00 C ATOM 157 CD1 TYR A 12 44.499 6.159 -32.019 1.00 0.00 C ATOM 158 CD2 TYR A 12 45.462 6.660 -29.896 1.00 0.00 C ATOM 159 CE1 TYR A 12 43.454 5.504 -31.395 1.00 0.00 C ATOM 160 CE2 TYR A 12 44.422 6.006 -29.265 1.00 0.00 C ATOM 161 CZ TYR A 12 43.420 5.429 -30.018 1.00 0.00 C ATOM 162 OH TYR A 12 42.382 4.778 -29.393 1.00 0.00 O ATOM 0 H TYR A 12 48.075 5.874 -30.725 1.00 0.00 H new ATOM 0 HA TYR A 12 47.090 5.874 -33.345 1.00 0.00 H new ATOM 0 HB2 TYR A 12 47.201 8.048 -31.220 1.00 0.00 H new ATOM 0 HB3 TYR A 12 46.253 8.162 -32.690 1.00 0.00 H new ATOM 0 HD1 TYR A 12 44.524 6.215 -33.097 1.00 0.00 H new ATOM 0 HD2 TYR A 12 46.244 7.111 -29.304 1.00 0.00 H new ATOM 0 HE1 TYR A 12 42.668 5.053 -31.983 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.393 5.946 -28.187 1.00 0.00 H new ATOM 0 HH TYR A 12 41.925 5.398 -28.787 1.00 0.00 H new ATOM 172 N SER A 13 48.142 8.084 -34.454 1.00 0.00 N ATOM 173 CA SER A 13 48.998 8.912 -35.292 1.00 0.00 C ATOM 174 C SER A 13 48.532 10.362 -35.284 1.00 0.00 C ATOM 175 O SER A 13 47.377 10.654 -34.976 1.00 0.00 O ATOM 176 CB SER A 13 49.017 8.379 -36.724 1.00 0.00 C ATOM 177 OG SER A 13 50.157 7.571 -36.954 1.00 0.00 O ATOM 0 H SER A 13 47.150 8.127 -34.689 1.00 0.00 H new ATOM 0 HA SER A 13 50.008 8.872 -34.884 1.00 0.00 H new ATOM 0 HB2 SER A 13 48.113 7.799 -36.911 1.00 0.00 H new ATOM 0 HB3 SER A 13 49.012 9.213 -37.426 1.00 0.00 H new ATOM 0 HG SER A 13 50.144 7.242 -37.877 1.00 0.00 H new ATOM 183 N VAL A 14 49.442 11.267 -35.627 1.00 0.00 N ATOM 184 CA VAL A 14 49.135 12.690 -35.662 1.00 0.00 C ATOM 185 C VAL A 14 47.778 12.947 -36.312 1.00 0.00 C ATOM 186 O VAL A 14 47.685 13.153 -37.522 1.00 0.00 O ATOM 187 CB VAL A 14 50.223 13.474 -36.423 1.00 0.00 C ATOM 188 CG1 VAL A 14 50.653 12.712 -37.667 1.00 0.00 C ATOM 189 CG2 VAL A 14 49.735 14.870 -36.784 1.00 0.00 C ATOM 0 H VAL A 14 50.402 11.038 -35.886 1.00 0.00 H new ATOM 0 HA VAL A 14 49.103 13.037 -34.629 1.00 0.00 H new ATOM 0 HB VAL A 14 51.089 13.582 -35.769 1.00 0.00 H new ATOM 0 HG11 VAL A 14 51.421 13.278 -38.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 51.053 11.740 -37.378 1.00 0.00 H new ATOM 0 HG13 VAL A 14 49.794 12.571 -38.322 1.00 0.00 H new ATOM 0 HG21 VAL A 14 50.520 15.403 -37.320 1.00 0.00 H new ATOM 0 HG22 VAL A 14 48.851 14.794 -37.417 1.00 0.00 H new ATOM 0 HG23 VAL A 14 49.484 15.414 -35.874 1.00 0.00 H new ATOM 199 N GLY A 15 46.730 12.942 -35.496 1.00 0.00 N ATOM 200 CA GLY A 15 45.392 13.184 -36.001 1.00 0.00 C ATOM 201 C GLY A 15 44.666 11.911 -36.379 1.00 0.00 C ATOM 202 O GLY A 15 44.223 11.753 -37.516 1.00 0.00 O ATOM 0 H GLY A 15 46.784 12.774 -34.491 1.00 0.00 H new ATOM 0 HA2 GLY A 15 44.814 13.715 -35.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 45.450 13.836 -36.873 1.00 0.00 H new ATOM 206 N MET A 16 44.535 11.002 -35.422 1.00 0.00 N ATOM 207 CA MET A 16 43.848 9.741 -35.658 1.00 0.00 C ATOM 208 C MET A 16 42.478 9.743 -34.991 1.00 0.00 C ATOM 209 O MET A 16 41.563 9.046 -35.427 1.00 0.00 O ATOM 210 CB MET A 16 44.683 8.573 -35.133 1.00 0.00 C ATOM 211 CG MET A 16 45.133 7.612 -36.221 1.00 0.00 C ATOM 212 SD MET A 16 44.043 6.184 -36.379 1.00 0.00 S ATOM 213 CE MET A 16 45.079 4.892 -35.697 1.00 0.00 C ATOM 0 H MET A 16 44.896 11.115 -34.475 1.00 0.00 H new ATOM 0 HA MET A 16 43.712 9.623 -36.733 1.00 0.00 H new ATOM 0 HB2 MET A 16 45.561 8.966 -34.620 1.00 0.00 H new ATOM 0 HB3 MET A 16 44.101 8.024 -34.393 1.00 0.00 H new ATOM 0 HG2 MET A 16 45.174 8.141 -37.173 1.00 0.00 H new ATOM 0 HG3 MET A 16 46.145 7.270 -36.003 1.00 0.00 H new ATOM 0 HE1 MET A 16 44.537 3.947 -35.709 1.00 0.00 H new ATOM 0 HE2 MET A 16 45.985 4.798 -36.296 1.00 0.00 H new ATOM 0 HE3 MET A 16 45.347 5.144 -34.671 1.00 0.00 H new ATOM 223 N GLN A 17 42.349 10.537 -33.933 1.00 0.00 N ATOM 224 CA GLN A 17 41.093 10.641 -33.198 1.00 0.00 C ATOM 225 C GLN A 17 40.648 9.275 -32.688 1.00 0.00 C ATOM 226 O GLN A 17 40.666 8.290 -33.425 1.00 0.00 O ATOM 227 CB GLN A 17 40.003 11.248 -34.082 1.00 0.00 C ATOM 228 CG GLN A 17 39.516 12.606 -33.602 1.00 0.00 C ATOM 229 CD GLN A 17 38.016 12.774 -33.749 1.00 0.00 C ATOM 230 OE1 GLN A 17 37.518 13.093 -34.829 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.286 12.560 -32.661 1.00 0.00 N ATOM 0 H GLN A 17 43.101 11.119 -33.564 1.00 0.00 H new ATOM 0 HA GLN A 17 41.258 11.295 -32.341 1.00 0.00 H new ATOM 0 HB2 GLN A 17 40.384 11.347 -35.098 1.00 0.00 H new ATOM 0 HB3 GLN A 17 39.157 10.562 -34.124 1.00 0.00 H new ATOM 0 HG2 GLN A 17 39.792 12.737 -32.556 1.00 0.00 H new ATOM 0 HG3 GLN A 17 40.022 13.389 -34.166 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.740 12.297 -31.786 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.272 12.658 -32.700 1.00 0.00 H new ATOM 240 N TRP A 18 40.249 9.221 -31.423 1.00 0.00 N ATOM 241 CA TRP A 18 39.802 7.971 -30.825 1.00 0.00 C ATOM 242 C TRP A 18 38.938 8.225 -29.596 1.00 0.00 C ATOM 243 O TRP A 18 38.665 9.371 -29.239 1.00 0.00 O ATOM 244 CB TRP A 18 41.004 7.102 -30.460 1.00 0.00 C ATOM 245 CG TRP A 18 41.737 7.576 -29.245 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.407 7.332 -27.943 1.00 0.00 C ATOM 247 CD2 TRP A 18 42.928 8.374 -29.215 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.320 7.923 -27.107 1.00 0.00 N ATOM 249 CE2 TRP A 18 43.264 8.569 -27.861 1.00 0.00 C ATOM 250 CE3 TRP A 18 43.747 8.940 -30.200 1.00 0.00 C ATOM 251 CZ2 TRP A 18 44.380 9.303 -27.471 1.00 0.00 C ATOM 252 CZ3 TRP A 18 44.853 9.668 -29.808 1.00 0.00 C ATOM 253 CH2 TRP A 18 45.161 9.842 -28.455 1.00 0.00 C ATOM 0 H TRP A 18 40.226 10.024 -30.795 1.00 0.00 H new ATOM 0 HA TRP A 18 39.193 7.443 -31.559 1.00 0.00 H new ATOM 0 HB2 TRP A 18 40.666 6.079 -30.294 1.00 0.00 H new ATOM 0 HB3 TRP A 18 41.694 7.077 -31.304 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.552 6.758 -27.619 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.299 7.887 -26.088 1.00 0.00 H new ATOM 0 HE3 TRP A 18 43.518 8.809 -31.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.621 9.442 -26.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 45.491 10.110 -30.559 1.00 0.00 H new ATOM 0 HH2 TRP A 18 46.035 10.415 -28.182 1.00 0.00 H new ATOM 264 N LEU A 19 38.502 7.145 -28.957 1.00 0.00 N ATOM 265 CA LEU A 19 37.657 7.243 -27.773 1.00 0.00 C ATOM 266 C LEU A 19 38.294 6.531 -26.584 1.00 0.00 C ATOM 267 O LEU A 19 38.592 5.339 -26.649 1.00 0.00 O ATOM 268 CB LEU A 19 36.282 6.630 -28.060 1.00 0.00 C ATOM 269 CG LEU A 19 35.171 7.621 -28.418 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.302 8.905 -27.618 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.179 7.928 -29.906 1.00 0.00 C ATOM 0 H LEU A 19 38.720 6.190 -29.240 1.00 0.00 H new ATOM 0 HA LEU A 19 37.544 8.298 -27.525 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.386 5.919 -28.879 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.968 6.063 -27.184 1.00 0.00 H new ATOM 0 HG LEU A 19 34.219 7.155 -28.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.499 9.589 -27.894 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.236 8.679 -26.554 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.264 9.370 -27.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.381 8.634 -30.136 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.139 8.363 -30.183 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.022 7.007 -30.468 1.00 0.00 H new ATOM 283 N LYS A 20 38.489 7.267 -25.494 1.00 0.00 N ATOM 284 CA LYS A 20 39.080 6.697 -24.289 1.00 0.00 C ATOM 285 C LYS A 20 37.991 6.260 -23.314 1.00 0.00 C ATOM 286 O LYS A 20 36.977 6.940 -23.158 1.00 0.00 O ATOM 287 CB LYS A 20 40.008 7.710 -23.617 1.00 0.00 C ATOM 288 CG LYS A 20 41.038 7.079 -22.693 1.00 0.00 C ATOM 289 CD LYS A 20 41.586 5.781 -23.265 1.00 0.00 C ATOM 290 CE LYS A 20 42.010 5.944 -24.717 1.00 0.00 C ATOM 291 NZ LYS A 20 42.078 4.637 -25.426 1.00 0.00 N ATOM 0 H LYS A 20 38.247 8.255 -25.421 1.00 0.00 H new ATOM 0 HA LYS A 20 39.664 5.823 -24.576 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.526 8.281 -24.387 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.406 8.417 -23.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.857 7.779 -22.529 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.585 6.886 -21.721 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.439 5.452 -22.671 1.00 0.00 H new ATOM 0 HD3 LYS A 20 40.827 5.002 -23.192 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.305 6.599 -25.230 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.985 6.430 -24.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.370 4.792 -26.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.769 4.021 -24.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.142 4.184 -25.409 1.00 0.00 H new ATOM 305 N THR A 21 38.203 5.121 -22.666 1.00 0.00 N ATOM 306 CA THR A 21 37.232 4.593 -21.713 1.00 0.00 C ATOM 307 C THR A 21 37.872 4.315 -20.353 1.00 0.00 C ATOM 308 O THR A 21 37.203 4.374 -19.321 1.00 0.00 O ATOM 309 CB THR A 21 36.584 3.296 -22.234 1.00 0.00 C ATOM 310 OG1 THR A 21 35.711 3.589 -23.333 1.00 0.00 O ATOM 311 CG2 THR A 21 35.801 2.602 -21.130 1.00 0.00 C ATOM 0 H THR A 21 39.037 4.545 -22.782 1.00 0.00 H new ATOM 0 HA THR A 21 36.465 5.358 -21.596 1.00 0.00 H new ATOM 0 HB THR A 21 37.378 2.629 -22.570 1.00 0.00 H new ATOM 0 HG1 THR A 21 35.305 2.759 -23.659 1.00 0.00 H new ATOM 0 HG21 THR A 21 35.352 1.689 -21.521 1.00 0.00 H new ATOM 0 HG22 THR A 21 36.473 2.353 -20.309 1.00 0.00 H new ATOM 0 HG23 THR A 21 35.016 3.266 -20.768 1.00 0.00 H new ATOM 319 N GLN A 22 39.163 4.006 -20.358 1.00 0.00 N ATOM 320 CA GLN A 22 39.882 3.713 -19.123 1.00 0.00 C ATOM 321 C GLN A 22 40.250 4.998 -18.391 1.00 0.00 C ATOM 322 O GLN A 22 41.308 5.581 -18.627 1.00 0.00 O ATOM 323 CB GLN A 22 41.147 2.906 -19.423 1.00 0.00 C ATOM 324 CG GLN A 22 40.884 1.635 -20.215 1.00 0.00 C ATOM 325 CD GLN A 22 41.768 0.483 -19.779 1.00 0.00 C ATOM 326 OE1 GLN A 22 42.975 0.484 -20.025 1.00 0.00 O ATOM 327 NE2 GLN A 22 41.171 -0.508 -19.127 1.00 0.00 N ATOM 0 H GLN A 22 39.733 3.952 -21.202 1.00 0.00 H new ATOM 0 HA GLN A 22 39.226 3.124 -18.482 1.00 0.00 H new ATOM 0 HB2 GLN A 22 41.845 3.533 -19.979 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.633 2.645 -18.483 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.838 1.349 -20.100 1.00 0.00 H new ATOM 0 HG3 GLN A 22 41.046 1.832 -21.275 1.00 0.00 H new ATOM 0 HE21 GLN A 22 40.168 -0.467 -18.945 1.00 0.00 H new ATOM 0 HE22 GLN A 22 41.715 -1.310 -18.808 1.00 0.00 H new ATOM 336 N GLY A 23 39.366 5.432 -17.498 1.00 0.00 N ATOM 337 CA GLY A 23 39.609 6.645 -16.740 1.00 0.00 C ATOM 338 C GLY A 23 38.600 6.841 -15.626 1.00 0.00 C ATOM 339 O GLY A 23 38.963 6.905 -14.451 1.00 0.00 O ATOM 0 H GLY A 23 38.485 4.964 -17.286 1.00 0.00 H new ATOM 0 HA2 GLY A 23 40.613 6.610 -16.316 1.00 0.00 H new ATOM 0 HA3 GLY A 23 39.576 7.503 -17.412 1.00 0.00 H new ATOM 343 N ASN A 24 37.330 6.934 -15.999 1.00 0.00 N ATOM 344 CA ASN A 24 36.258 7.124 -15.028 1.00 0.00 C ATOM 345 C ASN A 24 34.941 6.564 -15.556 1.00 0.00 C ATOM 346 O ASN A 24 34.255 5.809 -14.867 1.00 0.00 O ATOM 347 CB ASN A 24 36.097 8.607 -14.695 1.00 0.00 C ATOM 348 CG ASN A 24 36.025 8.859 -13.201 1.00 0.00 C ATOM 349 OD1 ASN A 24 36.563 9.846 -12.699 1.00 0.00 O ATOM 350 ND2 ASN A 24 35.358 7.964 -12.482 1.00 0.00 N ATOM 0 H ASN A 24 37.016 6.881 -16.968 1.00 0.00 H new ATOM 0 HA ASN A 24 36.525 6.583 -14.120 1.00 0.00 H new ATOM 0 HB2 ASN A 24 36.935 9.164 -15.115 1.00 0.00 H new ATOM 0 HB3 ASN A 24 35.192 8.987 -15.169 1.00 0.00 H new ATOM 0 HD21 ASN A 24 35.276 8.080 -11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 24 34.928 7.161 -12.940 1.00 0.00 H new ATOM 357 N LYS A 25 34.593 6.940 -16.783 1.00 0.00 N ATOM 358 CA LYS A 25 33.357 6.476 -17.403 1.00 0.00 C ATOM 359 C LYS A 25 33.503 6.413 -18.920 1.00 0.00 C ATOM 360 O LYS A 25 33.732 5.344 -19.489 1.00 0.00 O ATOM 361 CB LYS A 25 32.197 7.398 -17.025 1.00 0.00 C ATOM 362 CG LYS A 25 32.632 8.812 -16.672 1.00 0.00 C ATOM 363 CD LYS A 25 32.452 9.096 -15.189 1.00 0.00 C ATOM 364 CE LYS A 25 31.350 10.117 -14.948 1.00 0.00 C ATOM 365 NZ LYS A 25 31.864 11.513 -15.008 1.00 0.00 N ATOM 0 H LYS A 25 35.149 7.564 -17.367 1.00 0.00 H new ATOM 0 HA LYS A 25 33.146 5.472 -17.035 1.00 0.00 H new ATOM 0 HB2 LYS A 25 31.492 7.440 -17.856 1.00 0.00 H new ATOM 0 HB3 LYS A 25 31.664 6.968 -16.177 1.00 0.00 H new ATOM 0 HG2 LYS A 25 33.678 8.951 -16.946 1.00 0.00 H new ATOM 0 HG3 LYS A 25 32.052 9.528 -17.254 1.00 0.00 H new ATOM 0 HD2 LYS A 25 32.212 8.170 -14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 25 33.389 9.465 -14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 25 30.565 9.987 -15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.897 9.939 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 31.083 12.178 -14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 32.595 11.645 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 32.274 11.692 -15.947 1.00 0.00 H new ATOM 379 N GLN A 26 33.375 7.565 -19.568 1.00 0.00 N ATOM 380 CA GLN A 26 33.498 7.649 -21.019 1.00 0.00 C ATOM 381 C GLN A 26 34.113 8.982 -21.426 1.00 0.00 C ATOM 382 O GLN A 26 33.598 10.045 -21.077 1.00 0.00 O ATOM 383 CB GLN A 26 32.129 7.477 -21.682 1.00 0.00 C ATOM 384 CG GLN A 26 32.111 6.429 -22.782 1.00 0.00 C ATOM 385 CD GLN A 26 33.159 6.683 -23.848 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.495 7.830 -24.145 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.682 5.610 -24.432 1.00 0.00 N ATOM 0 H GLN A 26 33.185 8.457 -19.110 1.00 0.00 H new ATOM 0 HA GLN A 26 34.153 6.845 -21.355 1.00 0.00 H new ATOM 0 HB2 GLN A 26 31.398 7.205 -20.921 1.00 0.00 H new ATOM 0 HB3 GLN A 26 31.814 8.434 -22.099 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.276 5.445 -22.343 1.00 0.00 H new ATOM 0 HG3 GLN A 26 31.124 6.411 -23.245 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.374 4.678 -24.155 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.391 5.719 -25.157 1.00 0.00 H new ATOM 396 N MET A 27 35.219 8.922 -22.158 1.00 0.00 N ATOM 397 CA MET A 27 35.905 10.130 -22.598 1.00 0.00 C ATOM 398 C MET A 27 36.407 9.987 -24.032 1.00 0.00 C ATOM 399 O MET A 27 36.765 8.893 -24.469 1.00 0.00 O ATOM 400 CB MET A 27 37.075 10.435 -21.662 1.00 0.00 C ATOM 401 CG MET A 27 37.878 11.661 -22.062 1.00 0.00 C ATOM 402 SD MET A 27 39.601 11.271 -22.425 1.00 0.00 S ATOM 403 CE MET A 27 40.089 10.455 -20.907 1.00 0.00 C ATOM 0 H MET A 27 35.659 8.052 -22.459 1.00 0.00 H new ATOM 0 HA MET A 27 35.194 10.955 -22.569 1.00 0.00 H new ATOM 0 HB2 MET A 27 36.692 10.577 -20.651 1.00 0.00 H new ATOM 0 HB3 MET A 27 37.739 9.571 -21.633 1.00 0.00 H new ATOM 0 HG2 MET A 27 37.421 12.121 -22.938 1.00 0.00 H new ATOM 0 HG3 MET A 27 37.837 12.396 -21.258 1.00 0.00 H new ATOM 0 HE1 MET A 27 41.133 10.682 -20.691 1.00 0.00 H new ATOM 0 HE2 MET A 27 39.464 10.808 -20.087 1.00 0.00 H new ATOM 0 HE3 MET A 27 39.967 9.377 -21.018 1.00 0.00 H new ATOM 413 N LEU A 28 36.435 11.100 -24.756 1.00 0.00 N ATOM 414 CA LEU A 28 36.898 11.104 -26.140 1.00 0.00 C ATOM 415 C LEU A 28 38.268 11.766 -26.240 1.00 0.00 C ATOM 416 O LEU A 28 38.440 12.915 -25.834 1.00 0.00 O ATOM 417 CB LEU A 28 35.893 11.832 -27.036 1.00 0.00 C ATOM 418 CG LEU A 28 36.421 12.241 -28.412 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.999 11.232 -29.469 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.927 13.632 -28.777 1.00 0.00 C ATOM 0 H LEU A 28 36.142 12.013 -24.408 1.00 0.00 H new ATOM 0 HA LEU A 28 36.984 10.071 -26.479 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.023 11.190 -27.175 1.00 0.00 H new ATOM 0 HB3 LEU A 28 35.549 12.726 -26.516 1.00 0.00 H new ATOM 0 HG LEU A 28 37.510 12.259 -28.371 1.00 0.00 H new ATOM 0 HD11 LEU A 28 36.384 11.541 -30.441 1.00 0.00 H new ATOM 0 HD12 LEU A 28 36.399 10.250 -29.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.911 11.181 -29.510 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.311 13.909 -29.759 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.837 13.637 -28.799 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.278 14.349 -28.035 1.00 0.00 H new ATOM 432 N CYS A 29 39.243 11.034 -26.771 1.00 0.00 N ATOM 433 CA CYS A 29 40.600 11.557 -26.904 1.00 0.00 C ATOM 434 C CYS A 29 40.965 11.816 -28.362 1.00 0.00 C ATOM 435 O CYS A 29 40.477 11.141 -29.269 1.00 0.00 O ATOM 436 CB CYS A 29 41.603 10.580 -26.288 1.00 0.00 C ATOM 437 SG CYS A 29 42.092 10.975 -24.576 1.00 0.00 S ATOM 0 H CYS A 29 39.120 10.082 -27.115 1.00 0.00 H new ATOM 0 HA CYS A 29 40.639 12.508 -26.373 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.174 9.578 -26.308 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.497 10.556 -26.911 1.00 0.00 H new ATOM 442 N THR A 30 41.839 12.796 -28.573 1.00 0.00 N ATOM 443 CA THR A 30 42.291 13.151 -29.915 1.00 0.00 C ATOM 444 C THR A 30 43.688 13.756 -29.875 1.00 0.00 C ATOM 445 O THR A 30 44.024 14.504 -28.956 1.00 0.00 O ATOM 446 CB THR A 30 41.341 14.156 -30.592 1.00 0.00 C ATOM 447 OG1 THR A 30 40.018 13.611 -30.662 1.00 0.00 O ATOM 448 CG2 THR A 30 41.833 14.498 -31.993 1.00 0.00 C ATOM 0 H THR A 30 42.250 13.360 -27.829 1.00 0.00 H new ATOM 0 HA THR A 30 42.302 12.228 -30.494 1.00 0.00 H new ATOM 0 HB THR A 30 41.323 15.068 -29.996 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.435 14.230 -31.149 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.149 15.209 -32.455 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.828 14.939 -31.932 1.00 0.00 H new ATOM 0 HG23 THR A 30 41.875 13.591 -32.596 1.00 0.00 H new ATOM 456 N CYS A 31 44.498 13.438 -30.878 1.00 0.00 N ATOM 457 CA CYS A 31 45.852 13.964 -30.949 1.00 0.00 C ATOM 458 C CYS A 31 45.960 15.026 -32.037 1.00 0.00 C ATOM 459 O CYS A 31 46.032 14.712 -33.226 1.00 0.00 O ATOM 460 CB CYS A 31 46.857 12.839 -31.196 1.00 0.00 C ATOM 461 SG CYS A 31 46.322 11.595 -32.410 1.00 0.00 S ATOM 0 H CYS A 31 44.241 12.821 -31.649 1.00 0.00 H new ATOM 0 HA CYS A 31 46.087 14.428 -29.991 1.00 0.00 H new ATOM 0 HB2 CYS A 31 47.796 13.277 -31.535 1.00 0.00 H new ATOM 0 HB3 CYS A 31 47.062 12.339 -30.249 1.00 0.00 H new ATOM 466 N LEU A 32 45.959 16.284 -31.615 1.00 0.00 N ATOM 467 CA LEU A 32 46.042 17.409 -32.539 1.00 0.00 C ATOM 468 C LEU A 32 47.481 17.644 -32.997 1.00 0.00 C ATOM 469 O LEU A 32 47.952 17.009 -33.941 1.00 0.00 O ATOM 470 CB LEU A 32 45.488 18.674 -31.881 1.00 0.00 C ATOM 471 CG LEU A 32 45.721 18.773 -30.371 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.172 20.173 -29.989 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.459 18.388 -29.612 1.00 0.00 C ATOM 0 H LEU A 32 45.901 16.552 -30.633 1.00 0.00 H new ATOM 0 HA LEU A 32 45.442 17.169 -33.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.939 19.542 -32.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.416 18.725 -32.072 1.00 0.00 H new ATOM 0 HG LEU A 32 46.512 18.075 -30.098 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.332 20.222 -28.912 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.102 20.409 -30.505 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.405 20.893 -30.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.642 18.464 -28.540 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.648 19.061 -29.890 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.183 17.364 -29.861 1.00 0.00 H new ATOM 485 N GLY A 33 48.177 18.560 -32.325 1.00 0.00 N ATOM 486 CA GLY A 33 49.551 18.857 -32.687 1.00 0.00 C ATOM 487 C GLY A 33 50.455 18.996 -31.480 1.00 0.00 C ATOM 488 O GLY A 33 51.552 18.439 -31.449 1.00 0.00 O ATOM 0 H GLY A 33 47.814 19.099 -31.539 1.00 0.00 H new ATOM 0 HA2 GLY A 33 49.932 18.065 -33.332 1.00 0.00 H new ATOM 0 HA3 GLY A 33 49.579 19.781 -33.265 1.00 0.00 H new ATOM 492 N ASN A 34 49.991 19.735 -30.480 1.00 0.00 N ATOM 493 CA ASN A 34 50.762 19.941 -29.261 1.00 0.00 C ATOM 494 C ASN A 34 50.901 18.631 -28.499 1.00 0.00 C ATOM 495 O ASN A 34 51.910 18.385 -27.836 1.00 0.00 O ATOM 496 CB ASN A 34 50.090 20.995 -28.375 1.00 0.00 C ATOM 497 CG ASN A 34 48.975 20.415 -27.525 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.130 19.665 -28.017 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.966 20.760 -26.244 1.00 0.00 N ATOM 0 H ASN A 34 49.084 20.202 -30.489 1.00 0.00 H new ATOM 0 HA ASN A 34 51.755 20.297 -29.536 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.838 21.450 -27.726 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.688 21.790 -29.003 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.240 20.401 -25.624 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.686 21.384 -25.879 1.00 0.00 H new ATOM 506 N GLY A 35 49.878 17.792 -28.604 1.00 0.00 N ATOM 507 CA GLY A 35 49.896 16.511 -27.930 1.00 0.00 C ATOM 508 C GLY A 35 48.616 15.730 -28.145 1.00 0.00 C ATOM 509 O GLY A 35 48.331 15.287 -29.258 1.00 0.00 O ATOM 0 H GLY A 35 49.034 17.978 -29.146 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.741 15.925 -28.291 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.049 16.667 -26.862 1.00 0.00 H new ATOM 513 N VAL A 36 47.840 15.565 -27.080 1.00 0.00 N ATOM 514 CA VAL A 36 46.581 14.836 -27.160 1.00 0.00 C ATOM 515 C VAL A 36 45.520 15.486 -26.274 1.00 0.00 C ATOM 516 O VAL A 36 45.674 15.563 -25.056 1.00 0.00 O ATOM 517 CB VAL A 36 46.765 13.350 -26.767 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.467 12.745 -26.244 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.281 12.553 -27.951 1.00 0.00 C ATOM 0 H VAL A 36 48.061 15.926 -26.152 1.00 0.00 H new ATOM 0 HA VAL A 36 46.245 14.876 -28.196 1.00 0.00 H new ATOM 0 HB VAL A 36 47.499 13.306 -25.962 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.633 11.701 -25.978 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.138 13.296 -25.363 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.701 12.805 -27.017 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.406 11.510 -27.661 1.00 0.00 H new ATOM 0 HG22 VAL A 36 46.567 12.618 -28.772 1.00 0.00 H new ATOM 0 HG23 VAL A 36 48.241 12.958 -28.272 1.00 0.00 H new ATOM 529 N SER A 37 44.442 15.944 -26.900 1.00 0.00 N ATOM 530 CA SER A 37 43.348 16.581 -26.177 1.00 0.00 C ATOM 531 C SER A 37 42.150 15.645 -26.091 1.00 0.00 C ATOM 532 O SER A 37 41.912 14.844 -26.995 1.00 0.00 O ATOM 533 CB SER A 37 42.943 17.887 -26.863 1.00 0.00 C ATOM 534 OG SER A 37 41.961 18.576 -26.108 1.00 0.00 O ATOM 0 H SER A 37 44.302 15.886 -27.909 1.00 0.00 H new ATOM 0 HA SER A 37 43.690 16.806 -25.167 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.820 18.522 -26.990 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.557 17.673 -27.860 1.00 0.00 H new ATOM 0 HG SER A 37 41.720 19.408 -26.566 1.00 0.00 H new ATOM 540 N CYS A 38 41.400 15.744 -25.000 1.00 0.00 N ATOM 541 CA CYS A 38 40.233 14.895 -24.805 1.00 0.00 C ATOM 542 C CYS A 38 39.166 15.601 -23.977 1.00 0.00 C ATOM 543 O CYS A 38 39.271 16.795 -23.694 1.00 0.00 O ATOM 544 CB CYS A 38 40.640 13.591 -24.119 1.00 0.00 C ATOM 545 SG CYS A 38 42.299 12.994 -24.574 1.00 0.00 S ATOM 0 H CYS A 38 41.579 16.401 -24.240 1.00 0.00 H new ATOM 0 HA CYS A 38 39.813 14.674 -25.786 1.00 0.00 H new ATOM 0 HB2 CYS A 38 40.601 13.734 -23.039 1.00 0.00 H new ATOM 0 HB3 CYS A 38 39.909 12.821 -24.365 1.00 0.00 H new ATOM 550 N GLN A 39 38.141 14.850 -23.592 1.00 0.00 N ATOM 551 CA GLN A 39 37.049 15.390 -22.793 1.00 0.00 C ATOM 552 C GLN A 39 36.337 14.275 -22.036 1.00 0.00 C ATOM 553 O GLN A 39 35.694 13.412 -22.637 1.00 0.00 O ATOM 554 CB GLN A 39 36.054 16.136 -23.684 1.00 0.00 C ATOM 555 CG GLN A 39 36.262 17.642 -23.702 1.00 0.00 C ATOM 556 CD GLN A 39 34.995 18.402 -24.041 1.00 0.00 C ATOM 557 OE1 GLN A 39 34.461 19.142 -23.214 1.00 0.00 O ATOM 558 NE2 GLN A 39 34.505 18.222 -25.263 1.00 0.00 N ATOM 0 H GLN A 39 38.044 13.861 -23.822 1.00 0.00 H new ATOM 0 HA GLN A 39 37.468 16.090 -22.070 1.00 0.00 H new ATOM 0 HB2 GLN A 39 36.134 15.755 -24.702 1.00 0.00 H new ATOM 0 HB3 GLN A 39 35.041 15.922 -23.342 1.00 0.00 H new ATOM 0 HG2 GLN A 39 36.626 17.966 -22.727 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.035 17.890 -24.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.980 17.599 -25.916 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.654 18.707 -25.548 1.00 0.00 H new ATOM 567 N GLU A 40 36.460 14.296 -20.713 1.00 0.00 N ATOM 568 CA GLU A 40 35.832 13.287 -19.868 1.00 0.00 C ATOM 569 C GLU A 40 34.316 13.435 -19.884 1.00 0.00 C ATOM 570 O GLU A 40 33.744 14.116 -19.033 1.00 0.00 O ATOM 571 CB GLU A 40 36.352 13.401 -18.434 1.00 0.00 C ATOM 572 CG GLU A 40 37.451 12.405 -18.103 1.00 0.00 C ATOM 573 CD GLU A 40 37.388 11.927 -16.665 1.00 0.00 C ATOM 574 OE1 GLU A 40 36.334 11.390 -16.263 1.00 0.00 O ATOM 575 OE2 GLU A 40 38.392 12.090 -15.940 1.00 0.00 O ATOM 0 H GLU A 40 36.990 15.002 -20.202 1.00 0.00 H new ATOM 0 HA GLU A 40 36.088 12.304 -20.264 1.00 0.00 H new ATOM 0 HB2 GLU A 40 36.728 14.411 -18.272 1.00 0.00 H new ATOM 0 HB3 GLU A 40 35.522 13.256 -17.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 37.373 11.547 -18.771 1.00 0.00 H new ATOM 0 HG3 GLU A 40 38.422 12.865 -18.287 1.00 0.00 H new ATOM 582 N THR A 41 33.672 12.796 -20.861 1.00 0.00 N ATOM 583 CA THR A 41 32.217 12.849 -20.997 1.00 0.00 C ATOM 584 C THR A 41 31.748 14.212 -21.514 1.00 0.00 C ATOM 585 O THR A 41 30.561 14.406 -21.777 1.00 0.00 O ATOM 586 CB THR A 41 31.522 12.525 -19.651 1.00 0.00 C ATOM 587 OG1 THR A 41 31.256 11.121 -19.569 1.00 0.00 O ATOM 588 CG2 THR A 41 30.215 13.298 -19.479 1.00 0.00 C ATOM 0 H THR A 41 34.138 12.233 -21.573 1.00 0.00 H new ATOM 0 HA THR A 41 31.935 12.093 -21.730 1.00 0.00 H new ATOM 0 HB THR A 41 32.199 12.829 -18.852 1.00 0.00 H new ATOM 0 HG1 THR A 41 31.953 10.627 -20.049 1.00 0.00 H new ATOM 0 HG21 THR A 41 29.763 13.039 -18.522 1.00 0.00 H new ATOM 0 HG22 THR A 41 30.419 14.368 -19.507 1.00 0.00 H new ATOM 0 HG23 THR A 41 29.530 13.038 -20.286 1.00 0.00 H new ATOM 596 N ALA A 42 32.673 15.154 -21.645 1.00 0.00 N ATOM 597 CA ALA A 42 32.330 16.489 -22.116 1.00 0.00 C ATOM 598 C ALA A 42 31.053 16.976 -21.449 1.00 0.00 C ATOM 599 O ALA A 42 29.956 16.798 -21.976 1.00 0.00 O ATOM 600 CB ALA A 42 32.174 16.504 -23.625 1.00 0.00 C ATOM 0 H ALA A 42 33.662 15.019 -21.433 1.00 0.00 H new ATOM 0 HA ALA A 42 33.143 17.164 -21.848 1.00 0.00 H new ATOM 0 HB1 ALA A 42 31.918 17.511 -23.954 1.00 0.00 H new ATOM 0 HB2 ALA A 42 33.111 16.197 -24.091 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.381 15.815 -23.916 1.00 0.00 H new ATOM 606 N VAL A 43 31.207 17.582 -20.282 1.00 0.00 N ATOM 607 CA VAL A 43 30.070 18.091 -19.528 1.00 0.00 C ATOM 608 C VAL A 43 29.036 18.729 -20.449 1.00 0.00 C ATOM 609 O VAL A 43 27.837 18.483 -20.316 1.00 0.00 O ATOM 610 CB VAL A 43 30.514 19.122 -18.477 1.00 0.00 C ATOM 611 CG1 VAL A 43 31.283 18.444 -17.353 1.00 0.00 C ATOM 612 CG2 VAL A 43 31.350 20.216 -19.122 1.00 0.00 C ATOM 0 H VAL A 43 32.111 17.734 -19.835 1.00 0.00 H new ATOM 0 HA VAL A 43 29.618 17.238 -19.022 1.00 0.00 H new ATOM 0 HB VAL A 43 29.624 19.583 -18.049 1.00 0.00 H new ATOM 0 HG11 VAL A 43 31.589 19.190 -16.619 1.00 0.00 H new ATOM 0 HG12 VAL A 43 30.646 17.702 -16.872 1.00 0.00 H new ATOM 0 HG13 VAL A 43 32.167 17.953 -17.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 31.655 20.936 -18.363 1.00 0.00 H new ATOM 0 HG22 VAL A 43 32.235 19.775 -19.580 1.00 0.00 H new ATOM 0 HG23 VAL A 43 30.760 20.722 -19.886 1.00 0.00 H new ATOM 622 N THR A 44 29.506 19.550 -21.383 1.00 0.00 N ATOM 623 CA THR A 44 28.620 20.221 -22.326 1.00 0.00 C ATOM 624 C THR A 44 27.977 21.451 -21.693 1.00 0.00 C ATOM 625 O THR A 44 27.959 21.592 -20.470 1.00 0.00 O ATOM 626 CB THR A 44 27.512 19.274 -22.827 1.00 0.00 C ATOM 627 OG1 THR A 44 28.036 17.950 -22.987 1.00 0.00 O ATOM 628 CG2 THR A 44 26.937 19.761 -24.149 1.00 0.00 C ATOM 0 H THR A 44 30.495 19.766 -21.506 1.00 0.00 H new ATOM 0 HA THR A 44 29.232 20.530 -23.173 1.00 0.00 H new ATOM 0 HB THR A 44 26.713 19.262 -22.086 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.009 17.968 -22.874 1.00 0.00 H new ATOM 0 HG21 THR A 44 26.157 19.076 -24.481 1.00 0.00 H new ATOM 0 HG22 THR A 44 26.513 20.756 -24.017 1.00 0.00 H new ATOM 0 HG23 THR A 44 27.728 19.800 -24.898 1.00 0.00 H new ATOM 636 N GLN A 45 27.456 22.339 -22.531 1.00 0.00 N ATOM 637 CA GLN A 45 26.818 23.559 -22.052 1.00 0.00 C ATOM 638 C GLN A 45 25.299 23.420 -22.049 1.00 0.00 C ATOM 639 O GLN A 45 24.703 23.054 -21.037 1.00 0.00 O ATOM 640 CB GLN A 45 27.234 24.750 -22.918 1.00 0.00 C ATOM 641 CG GLN A 45 28.713 25.082 -22.816 1.00 0.00 C ATOM 642 CD GLN A 45 28.967 26.438 -22.187 1.00 0.00 C ATOM 643 OE1 GLN A 45 28.572 26.691 -21.048 1.00 0.00 O ATOM 644 NE2 GLN A 45 29.631 27.319 -22.926 1.00 0.00 N ATOM 0 H GLN A 45 27.463 22.237 -23.546 1.00 0.00 H new ATOM 0 HA GLN A 45 27.147 23.731 -21.027 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.988 24.537 -23.958 1.00 0.00 H new ATOM 0 HB3 GLN A 45 26.652 25.624 -22.625 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.214 24.314 -22.227 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.156 25.059 -23.812 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.940 27.067 -23.865 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.832 28.247 -22.555 1.00 0.00 H new ATOM 653 N THR A 46 24.679 23.716 -23.186 1.00 0.00 N ATOM 654 CA THR A 46 23.231 23.627 -23.312 1.00 0.00 C ATOM 655 C THR A 46 22.550 24.776 -22.579 1.00 0.00 C ATOM 656 O THR A 46 23.027 25.232 -21.539 1.00 0.00 O ATOM 657 CB THR A 46 22.695 22.291 -22.764 1.00 0.00 C ATOM 658 OG1 THR A 46 22.379 22.420 -21.373 1.00 0.00 O ATOM 659 CG2 THR A 46 23.716 21.180 -22.958 1.00 0.00 C ATOM 0 H THR A 46 25.158 24.020 -24.034 1.00 0.00 H new ATOM 0 HA THR A 46 23.001 23.687 -24.376 1.00 0.00 H new ATOM 0 HB THR A 46 21.791 22.034 -23.316 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.207 22.440 -20.850 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.316 20.246 -22.564 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.930 21.064 -24.021 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.635 21.434 -22.429 1.00 0.00 H new ATOM 667 N TYR A 47 21.437 25.245 -23.129 1.00 0.00 N ATOM 668 CA TYR A 47 20.696 26.348 -22.525 1.00 0.00 C ATOM 669 C TYR A 47 19.195 26.075 -22.519 1.00 0.00 C ATOM 670 O TYR A 47 18.491 26.457 -21.583 1.00 0.00 O ATOM 671 CB TYR A 47 20.987 27.653 -23.268 1.00 0.00 C ATOM 672 CG TYR A 47 21.200 27.476 -24.755 1.00 0.00 C ATOM 673 CD1 TYR A 47 20.120 27.396 -25.626 1.00 0.00 C ATOM 674 CD2 TYR A 47 22.481 27.392 -25.289 1.00 0.00 C ATOM 675 CE1 TYR A 47 20.309 27.237 -26.985 1.00 0.00 C ATOM 676 CE2 TYR A 47 22.676 27.233 -26.648 1.00 0.00 C ATOM 677 CZ TYR A 47 21.589 27.155 -27.490 1.00 0.00 C ATOM 678 OH TYR A 47 21.782 26.996 -28.843 1.00 0.00 O ATOM 0 H TYR A 47 21.028 24.881 -23.989 1.00 0.00 H new ATOM 0 HA TYR A 47 21.026 26.442 -21.491 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.158 28.343 -23.109 1.00 0.00 H new ATOM 0 HB3 TYR A 47 21.874 28.116 -22.836 1.00 0.00 H new ATOM 0 HD1 TYR A 47 19.116 27.459 -25.234 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.336 27.452 -24.632 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.459 27.177 -27.648 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.677 27.170 -27.048 1.00 0.00 H new ATOM 0 HH TYR A 47 22.742 26.957 -29.034 1.00 0.00 H new ATOM 688 N GLY A 48 18.709 25.416 -23.564 1.00 0.00 N ATOM 689 CA GLY A 48 17.294 25.111 -23.650 1.00 0.00 C ATOM 690 C GLY A 48 17.005 23.963 -24.595 1.00 0.00 C ATOM 691 O GLY A 48 17.647 22.915 -24.524 1.00 0.00 O ATOM 0 H GLY A 48 19.268 25.088 -24.352 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.918 24.864 -22.657 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.754 25.997 -23.984 1.00 0.00 H new ATOM 695 N GLY A 49 16.037 24.159 -25.483 1.00 0.00 N ATOM 696 CA GLY A 49 15.683 23.121 -26.432 1.00 0.00 C ATOM 697 C GLY A 49 14.468 22.328 -25.992 1.00 0.00 C ATOM 698 O GLY A 49 13.397 22.893 -25.770 1.00 0.00 O ATOM 0 H GLY A 49 15.492 25.017 -25.562 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.486 23.573 -27.404 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.528 22.445 -26.560 1.00 0.00 H new ATOM 702 N ASN A 50 14.635 21.016 -25.864 1.00 0.00 N ATOM 703 CA ASN A 50 13.543 20.144 -25.445 1.00 0.00 C ATOM 704 C ASN A 50 13.697 19.747 -23.980 1.00 0.00 C ATOM 705 O ASN A 50 12.781 19.181 -23.383 1.00 0.00 O ATOM 706 CB ASN A 50 13.493 18.893 -26.324 1.00 0.00 C ATOM 707 CG ASN A 50 12.214 18.808 -27.135 1.00 0.00 C ATOM 708 OD1 ASN A 50 11.409 17.894 -26.953 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.020 19.764 -28.037 1.00 0.00 N ATOM 0 H ASN A 50 15.515 20.533 -26.044 1.00 0.00 H new ATOM 0 HA ASN A 50 12.608 20.694 -25.558 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.349 18.892 -26.999 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.581 18.007 -25.696 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.177 19.759 -28.612 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.714 20.503 -28.155 1.00 0.00 H new ATOM 716 N SER A 51 14.858 20.048 -23.407 1.00 0.00 N ATOM 717 CA SER A 51 15.127 19.722 -22.011 1.00 0.00 C ATOM 718 C SER A 51 15.163 20.984 -21.153 1.00 0.00 C ATOM 719 O SER A 51 14.926 20.926 -19.949 1.00 0.00 O ATOM 720 CB SER A 51 16.453 18.969 -21.886 1.00 0.00 C ATOM 721 OG SER A 51 16.296 17.786 -21.123 1.00 0.00 O ATOM 0 H SER A 51 15.627 20.516 -23.887 1.00 0.00 H new ATOM 0 HA SER A 51 14.320 19.084 -21.653 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.828 18.719 -22.878 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.198 19.612 -21.417 1.00 0.00 H new ATOM 0 HG SER A 51 15.834 17.996 -20.285 1.00 0.00 H new ATOM 727 N ASN A 52 15.459 22.117 -21.791 1.00 0.00 N ATOM 728 CA ASN A 52 15.527 23.407 -21.114 1.00 0.00 C ATOM 729 C ASN A 52 16.929 23.677 -20.576 1.00 0.00 C ATOM 730 O ASN A 52 17.151 24.656 -19.864 1.00 0.00 O ATOM 731 CB ASN A 52 14.512 23.465 -19.979 1.00 0.00 C ATOM 732 CG ASN A 52 14.370 24.858 -19.399 1.00 0.00 C ATOM 733 OD1 ASN A 52 13.641 25.694 -19.933 1.00 0.00 O ATOM 734 ND2 ASN A 52 15.070 25.116 -18.300 1.00 0.00 N ATOM 0 H ASN A 52 15.658 22.163 -22.790 1.00 0.00 H new ATOM 0 HA ASN A 52 15.289 24.180 -21.845 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.543 23.127 -20.345 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.813 22.775 -19.190 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.016 26.037 -17.865 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.662 24.393 -17.891 1.00 0.00 H new ATOM 741 N GLY A 53 17.875 22.811 -20.926 1.00 0.00 N ATOM 742 CA GLY A 53 19.242 22.987 -20.472 1.00 0.00 C ATOM 743 C GLY A 53 19.742 21.825 -19.637 1.00 0.00 C ATOM 744 O GLY A 53 20.907 21.794 -19.242 1.00 0.00 O ATOM 0 H GLY A 53 17.720 21.992 -21.514 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.893 23.113 -21.337 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.310 23.904 -19.886 1.00 0.00 H new ATOM 748 N GLU A 54 18.864 20.866 -19.368 1.00 0.00 N ATOM 749 CA GLU A 54 19.234 19.699 -18.574 1.00 0.00 C ATOM 750 C GLU A 54 20.529 19.082 -19.090 1.00 0.00 C ATOM 751 O GLU A 54 20.930 19.315 -20.229 1.00 0.00 O ATOM 752 CB GLU A 54 18.112 18.660 -18.600 1.00 0.00 C ATOM 753 CG GLU A 54 16.917 19.035 -17.738 1.00 0.00 C ATOM 754 CD GLU A 54 17.310 19.825 -16.505 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.776 19.205 -15.526 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.151 21.063 -16.518 1.00 0.00 O ATOM 0 H GLU A 54 17.895 20.872 -19.686 1.00 0.00 H new ATOM 0 HA GLU A 54 19.391 20.024 -17.546 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.779 18.523 -19.629 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.507 17.702 -18.262 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.216 19.621 -18.332 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.396 18.128 -17.432 1.00 0.00 H new ATOM 763 N PRO A 55 21.198 18.279 -18.251 1.00 0.00 N ATOM 764 CA PRO A 55 22.454 17.618 -18.620 1.00 0.00 C ATOM 765 C PRO A 55 22.239 16.517 -19.652 1.00 0.00 C ATOM 766 O PRO A 55 21.613 15.498 -19.363 1.00 0.00 O ATOM 767 CB PRO A 55 22.944 17.024 -17.297 1.00 0.00 C ATOM 768 CG PRO A 55 21.708 16.832 -16.488 1.00 0.00 C ATOM 769 CD PRO A 55 20.779 17.949 -16.878 1.00 0.00 C ATOM 0 HA PRO A 55 23.162 18.308 -19.079 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.464 16.079 -17.456 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.644 17.694 -16.798 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.257 15.861 -16.690 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.931 16.864 -15.422 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.736 17.635 -16.841 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.878 18.805 -16.211 1.00 0.00 H new ATOM 777 N CYS A 56 22.754 16.730 -20.859 1.00 0.00 N ATOM 778 CA CYS A 56 22.604 15.754 -21.930 1.00 0.00 C ATOM 779 C CYS A 56 23.209 14.409 -21.532 1.00 0.00 C ATOM 780 O CYS A 56 23.844 14.290 -20.484 1.00 0.00 O ATOM 781 CB CYS A 56 23.235 16.271 -23.225 1.00 0.00 C ATOM 782 SG CYS A 56 22.332 17.667 -23.978 1.00 0.00 S ATOM 0 H CYS A 56 23.277 17.567 -21.118 1.00 0.00 H new ATOM 0 HA CYS A 56 21.538 15.605 -22.105 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.260 16.581 -23.020 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.287 15.454 -23.944 1.00 0.00 H new ATOM 787 N VAL A 57 22.993 13.394 -22.366 1.00 0.00 N ATOM 788 CA VAL A 57 23.499 12.054 -22.091 1.00 0.00 C ATOM 789 C VAL A 57 24.370 11.533 -23.232 1.00 0.00 C ATOM 790 O VAL A 57 24.027 10.549 -23.888 1.00 0.00 O ATOM 791 CB VAL A 57 22.340 11.067 -21.858 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.592 10.801 -23.155 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.852 9.768 -21.254 1.00 0.00 C ATOM 0 H VAL A 57 22.470 13.476 -23.238 1.00 0.00 H new ATOM 0 HA VAL A 57 24.107 12.127 -21.189 1.00 0.00 H new ATOM 0 HB VAL A 57 21.644 11.519 -21.151 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.777 10.101 -22.968 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.186 11.737 -23.539 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.276 10.374 -23.888 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.017 9.085 -21.098 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.573 9.311 -21.932 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.334 9.976 -20.299 1.00 0.00 H new ATOM 803 N LEU A 58 25.504 12.184 -23.459 1.00 0.00 N ATOM 804 CA LEU A 58 26.416 11.763 -24.517 1.00 0.00 C ATOM 805 C LEU A 58 27.583 10.966 -23.944 1.00 0.00 C ATOM 806 O LEU A 58 27.863 11.025 -22.747 1.00 0.00 O ATOM 807 CB LEU A 58 26.944 12.964 -25.310 1.00 0.00 C ATOM 808 CG LEU A 58 26.862 14.316 -24.600 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.413 14.714 -24.383 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.614 14.275 -23.277 1.00 0.00 C ATOM 0 H LEU A 58 25.813 12.999 -22.930 1.00 0.00 H new ATOM 0 HA LEU A 58 25.852 11.124 -25.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.985 12.774 -25.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.388 13.031 -26.245 1.00 0.00 H new ATOM 0 HG LEU A 58 27.333 15.067 -25.234 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.372 15.678 -23.877 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.908 14.788 -25.346 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.917 13.961 -23.770 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.543 15.247 -22.788 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.176 13.512 -22.633 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.662 14.037 -23.461 1.00 0.00 H new ATOM 822 N PRO A 59 28.275 10.205 -24.802 1.00 0.00 N ATOM 823 CA PRO A 59 27.947 10.130 -26.227 1.00 0.00 C ATOM 824 C PRO A 59 26.666 9.347 -26.492 1.00 0.00 C ATOM 825 O PRO A 59 26.485 8.243 -25.981 1.00 0.00 O ATOM 826 CB PRO A 59 29.148 9.402 -26.830 1.00 0.00 C ATOM 827 CG PRO A 59 29.694 8.583 -25.711 1.00 0.00 C ATOM 828 CD PRO A 59 29.431 9.363 -24.451 1.00 0.00 C ATOM 0 HA PRO A 59 27.769 11.117 -26.653 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.850 8.775 -27.671 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.891 10.106 -27.205 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.211 7.607 -25.672 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.761 8.406 -25.843 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.208 8.705 -23.611 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.293 9.965 -24.164 1.00 0.00 H new ATOM 836 N PHE A 60 25.786 9.926 -27.300 1.00 0.00 N ATOM 837 CA PHE A 60 24.524 9.282 -27.643 1.00 0.00 C ATOM 838 C PHE A 60 24.545 8.807 -29.092 1.00 0.00 C ATOM 839 O PHE A 60 25.504 9.055 -29.820 1.00 0.00 O ATOM 840 CB PHE A 60 23.356 10.245 -27.427 1.00 0.00 C ATOM 841 CG PHE A 60 23.626 11.633 -27.930 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.479 11.937 -29.273 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.028 12.633 -27.060 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.727 13.213 -29.740 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.279 13.911 -27.520 1.00 0.00 C ATOM 846 CZ PHE A 60 24.127 14.201 -28.862 1.00 0.00 C ATOM 0 H PHE A 60 25.923 10.841 -27.730 1.00 0.00 H new ATOM 0 HA PHE A 60 24.393 8.418 -26.991 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.472 9.851 -27.928 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.125 10.291 -26.363 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.167 11.167 -29.963 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.147 12.411 -26.010 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.608 13.438 -30.790 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.593 14.682 -26.832 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.321 15.200 -29.224 1.00 0.00 H new ATOM 856 N THR A 61 23.482 8.126 -29.506 1.00 0.00 N ATOM 857 CA THR A 61 23.390 7.624 -30.869 1.00 0.00 C ATOM 858 C THR A 61 22.160 8.180 -31.574 1.00 0.00 C ATOM 859 O THR A 61 21.030 7.967 -31.134 1.00 0.00 O ATOM 860 CB THR A 61 23.336 6.087 -30.904 1.00 0.00 C ATOM 861 OG1 THR A 61 23.722 5.554 -29.631 1.00 0.00 O ATOM 862 CG2 THR A 61 24.255 5.541 -31.988 1.00 0.00 C ATOM 0 H THR A 61 22.676 7.910 -28.919 1.00 0.00 H new ATOM 0 HA THR A 61 24.288 7.957 -31.389 1.00 0.00 H new ATOM 0 HB THR A 61 22.313 5.785 -31.128 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.683 4.575 -29.661 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.202 4.452 -31.996 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.942 5.926 -32.958 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.280 5.853 -31.787 1.00 0.00 H new ATOM 870 N TYR A 62 22.389 8.893 -32.668 1.00 0.00 N ATOM 871 CA TYR A 62 21.302 9.480 -33.438 1.00 0.00 C ATOM 872 C TYR A 62 21.597 9.407 -34.930 1.00 0.00 C ATOM 873 O TYR A 62 22.721 9.658 -35.364 1.00 0.00 O ATOM 874 CB TYR A 62 21.079 10.936 -33.025 1.00 0.00 C ATOM 875 CG TYR A 62 20.210 11.708 -33.990 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.843 11.469 -34.068 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.755 12.674 -34.826 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.046 12.169 -34.951 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.963 13.381 -35.712 1.00 0.00 C ATOM 880 CZ TYR A 62 18.610 13.124 -35.771 1.00 0.00 C ATOM 881 OH TYR A 62 17.817 13.824 -36.652 1.00 0.00 O ATOM 0 H TYR A 62 23.319 9.079 -33.042 1.00 0.00 H new ATOM 0 HA TYR A 62 20.396 8.910 -33.232 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.620 10.959 -32.036 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.045 11.434 -32.940 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.397 10.723 -33.427 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.815 12.876 -34.783 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.986 11.970 -35.000 1.00 0.00 H new ATOM 0 HE2 TYR A 62 20.402 14.130 -36.354 1.00 0.00 H new ATOM 0 HH TYR A 62 16.912 13.906 -36.284 1.00 0.00 H new ATOM 891 N ASN A 63 20.582 9.060 -35.710 1.00 0.00 N ATOM 892 CA ASN A 63 20.734 8.954 -37.154 1.00 0.00 C ATOM 893 C ASN A 63 21.575 7.734 -37.526 1.00 0.00 C ATOM 894 O ASN A 63 21.878 7.513 -38.698 1.00 0.00 O ATOM 895 CB ASN A 63 21.376 10.224 -37.712 1.00 0.00 C ATOM 896 CG ASN A 63 20.794 10.625 -39.054 1.00 0.00 C ATOM 897 OD1 ASN A 63 20.324 9.779 -39.816 1.00 0.00 O ATOM 898 ND2 ASN A 63 20.823 11.918 -39.350 1.00 0.00 N ATOM 0 H ASN A 63 19.645 8.847 -35.367 1.00 0.00 H new ATOM 0 HA ASN A 63 19.743 8.834 -37.592 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.239 11.039 -37.002 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.450 10.069 -37.816 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.446 12.246 -40.239 1.00 0.00 H new ATOM 0 HD22 ASN A 63 21.222 12.584 -38.688 1.00 0.00 H new ATOM 905 N GLY A 64 21.944 6.943 -36.520 1.00 0.00 N ATOM 906 CA GLY A 64 22.740 5.755 -36.767 1.00 0.00 C ATOM 907 C GLY A 64 24.189 5.923 -36.352 1.00 0.00 C ATOM 908 O GLY A 64 24.949 4.955 -36.330 1.00 0.00 O ATOM 0 H GLY A 64 21.706 7.104 -35.541 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.307 4.914 -36.226 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.697 5.508 -37.828 1.00 0.00 H new ATOM 912 N ARG A 65 24.575 7.151 -36.021 1.00 0.00 N ATOM 913 CA ARG A 65 25.944 7.433 -35.607 1.00 0.00 C ATOM 914 C ARG A 65 26.005 7.780 -34.125 1.00 0.00 C ATOM 915 O ARG A 65 25.047 7.562 -33.384 1.00 0.00 O ATOM 916 CB ARG A 65 26.532 8.575 -36.437 1.00 0.00 C ATOM 917 CG ARG A 65 25.864 9.916 -36.193 1.00 0.00 C ATOM 918 CD ARG A 65 25.651 10.675 -37.491 1.00 0.00 C ATOM 919 NE ARG A 65 25.192 9.794 -38.555 1.00 0.00 N ATOM 920 CZ ARG A 65 25.262 10.096 -39.848 1.00 0.00 C ATOM 921 NH1 ARG A 65 25.780 11.254 -40.235 1.00 0.00 N ATOM 922 NH2 ARG A 65 24.820 9.235 -40.754 1.00 0.00 N ATOM 0 H ARG A 65 23.960 7.965 -36.031 1.00 0.00 H new ATOM 0 HA ARG A 65 26.536 6.534 -35.775 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.595 8.663 -36.215 1.00 0.00 H new ATOM 0 HB3 ARG A 65 26.447 8.324 -37.494 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.905 9.761 -35.699 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.478 10.512 -35.518 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.921 11.469 -37.334 1.00 0.00 H new ATOM 0 HD3 ARG A 65 26.583 11.154 -37.791 1.00 0.00 H new ATOM 0 HE ARG A 65 24.793 8.892 -38.293 1.00 0.00 H new ATOM 0 HH11 ARG A 65 26.126 11.916 -39.540 1.00 0.00 H new ATOM 0 HH12 ARG A 65 25.832 11.483 -41.228 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.426 8.341 -40.459 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.873 9.466 -41.746 1.00 0.00 H new ATOM 936 N THR A 66 27.140 8.320 -33.697 1.00 0.00 N ATOM 937 CA THR A 66 27.330 8.692 -32.302 1.00 0.00 C ATOM 938 C THR A 66 27.892 10.103 -32.177 1.00 0.00 C ATOM 939 O THR A 66 28.523 10.615 -33.100 1.00 0.00 O ATOM 940 CB THR A 66 28.273 7.707 -31.587 1.00 0.00 C ATOM 941 OG1 THR A 66 27.731 6.381 -31.651 1.00 0.00 O ATOM 942 CG2 THR A 66 28.478 8.109 -30.134 1.00 0.00 C ATOM 0 H THR A 66 27.943 8.510 -34.297 1.00 0.00 H new ATOM 0 HA THR A 66 26.349 8.657 -31.828 1.00 0.00 H new ATOM 0 HB THR A 66 29.239 7.730 -32.091 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.336 5.758 -31.196 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.148 7.398 -29.651 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.915 9.106 -30.091 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.518 8.111 -29.618 1.00 0.00 H new ATOM 950 N PHE A 67 27.659 10.727 -31.027 1.00 0.00 N ATOM 951 CA PHE A 67 28.142 12.080 -30.781 1.00 0.00 C ATOM 952 C PHE A 67 28.533 12.258 -29.319 1.00 0.00 C ATOM 953 O PHE A 67 27.683 12.215 -28.428 1.00 0.00 O ATOM 954 CB PHE A 67 27.073 13.104 -31.163 1.00 0.00 C ATOM 955 CG PHE A 67 26.306 12.739 -32.401 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.267 11.826 -32.344 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.624 13.311 -33.622 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.558 11.489 -33.481 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.919 12.979 -34.763 1.00 0.00 C ATOM 960 CZ PHE A 67 24.884 12.067 -34.692 1.00 0.00 C ATOM 0 H PHE A 67 27.139 10.317 -30.251 1.00 0.00 H new ATOM 0 HA PHE A 67 29.026 12.242 -31.398 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.375 13.215 -30.333 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.548 14.074 -31.312 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.007 11.372 -31.399 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.432 14.025 -33.683 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.750 10.775 -33.423 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.177 13.432 -35.709 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.331 11.806 -35.582 1.00 0.00 H new ATOM 970 N TYR A 68 29.825 12.460 -29.079 1.00 0.00 N ATOM 971 CA TYR A 68 30.338 12.646 -27.726 1.00 0.00 C ATOM 972 C TYR A 68 30.265 14.111 -27.310 1.00 0.00 C ATOM 973 O TYR A 68 30.956 14.537 -26.383 1.00 0.00 O ATOM 974 CB TYR A 68 31.783 12.149 -27.647 1.00 0.00 C ATOM 975 CG TYR A 68 31.961 10.735 -28.143 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.939 10.445 -29.501 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.148 9.688 -27.251 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.098 9.151 -29.956 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.307 8.392 -27.697 1.00 0.00 C ATOM 980 CZ TYR A 68 32.281 8.128 -29.051 1.00 0.00 C ATOM 981 OH TYR A 68 32.437 6.836 -29.500 1.00 0.00 O ATOM 0 H TYR A 68 30.538 12.499 -29.807 1.00 0.00 H new ATOM 0 HA TYR A 68 29.719 12.068 -27.040 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.420 12.813 -28.231 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.123 12.209 -26.613 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.795 11.244 -30.213 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.169 9.891 -26.190 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.079 8.942 -31.015 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.451 7.588 -26.990 1.00 0.00 H new ATOM 0 HH TYR A 68 32.631 6.845 -30.461 1.00 0.00 H new ATOM 991 N SER A 69 29.424 14.877 -27.998 1.00 0.00 N ATOM 992 CA SER A 69 29.262 16.294 -27.699 1.00 0.00 C ATOM 993 C SER A 69 28.076 16.877 -28.459 1.00 0.00 C ATOM 994 O SER A 69 27.215 16.142 -28.946 1.00 0.00 O ATOM 995 CB SER A 69 30.534 17.063 -28.056 1.00 0.00 C ATOM 996 OG SER A 69 31.691 16.354 -27.648 1.00 0.00 O ATOM 0 H SER A 69 28.844 14.539 -28.766 1.00 0.00 H new ATOM 0 HA SER A 69 29.073 16.393 -26.630 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.569 17.234 -29.132 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.517 18.042 -27.578 1.00 0.00 H new ATOM 0 HG SER A 69 31.549 15.985 -26.751 1.00 0.00 H new ATOM 1002 N CYS A 70 28.040 18.200 -28.560 1.00 0.00 N ATOM 1003 CA CYS A 70 26.965 18.883 -29.263 1.00 0.00 C ATOM 1004 C CYS A 70 27.053 18.622 -30.764 1.00 0.00 C ATOM 1005 O CYS A 70 28.131 18.341 -31.290 1.00 0.00 O ATOM 1006 CB CYS A 70 27.024 20.386 -28.984 1.00 0.00 C ATOM 1007 SG CYS A 70 27.640 20.812 -27.322 1.00 0.00 S ATOM 0 H CYS A 70 28.745 18.821 -28.163 1.00 0.00 H new ATOM 0 HA CYS A 70 26.014 18.493 -28.901 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.665 20.858 -29.729 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.026 20.807 -29.109 1.00 0.00 H new ATOM 1012 N THR A 71 25.917 18.709 -31.450 1.00 0.00 N ATOM 1013 CA THR A 71 25.878 18.473 -32.888 1.00 0.00 C ATOM 1014 C THR A 71 24.709 19.199 -33.544 1.00 0.00 C ATOM 1015 O THR A 71 23.866 19.785 -32.866 1.00 0.00 O ATOM 1016 CB THR A 71 25.766 16.970 -33.208 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.983 16.748 -34.607 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.397 16.434 -32.810 1.00 0.00 C ATOM 0 H THR A 71 25.015 18.940 -31.034 1.00 0.00 H new ATOM 0 HA THR A 71 26.814 18.862 -33.289 1.00 0.00 H new ATOM 0 HB THR A 71 26.528 16.441 -32.635 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.648 16.038 -34.726 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.340 15.371 -33.045 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.247 16.578 -31.740 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.623 16.969 -33.360 1.00 0.00 H new ATOM 1026 N THR A 72 24.665 19.146 -34.871 1.00 0.00 N ATOM 1027 CA THR A 72 23.602 19.787 -35.632 1.00 0.00 C ATOM 1028 C THR A 72 23.129 18.876 -36.759 1.00 0.00 C ATOM 1029 O THR A 72 22.695 19.343 -37.812 1.00 0.00 O ATOM 1030 CB THR A 72 24.067 21.129 -36.229 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.191 20.920 -37.092 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.444 22.106 -35.126 1.00 0.00 C ATOM 0 H THR A 72 25.358 18.663 -35.443 1.00 0.00 H new ATOM 0 HA THR A 72 22.779 19.977 -34.943 1.00 0.00 H new ATOM 0 HB THR A 72 23.243 21.551 -36.804 1.00 0.00 H new ATOM 0 HG1 THR A 72 25.479 21.778 -37.468 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.770 23.047 -35.569 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.579 22.286 -34.488 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.254 21.686 -34.530 1.00 0.00 H new ATOM 1040 N GLU A 73 23.230 17.570 -36.529 1.00 0.00 N ATOM 1041 CA GLU A 73 22.830 16.575 -37.519 1.00 0.00 C ATOM 1042 C GLU A 73 21.333 16.292 -37.456 1.00 0.00 C ATOM 1043 O GLU A 73 20.844 15.345 -38.071 1.00 0.00 O ATOM 1044 CB GLU A 73 23.611 15.282 -37.295 1.00 0.00 C ATOM 1045 CG GLU A 73 25.114 15.445 -37.457 1.00 0.00 C ATOM 1046 CD GLU A 73 25.481 16.308 -38.649 1.00 0.00 C ATOM 1047 OE1 GLU A 73 25.311 17.543 -38.562 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.939 15.750 -39.668 1.00 0.00 O ATOM 0 H GLU A 73 23.588 17.174 -35.660 1.00 0.00 H new ATOM 0 HA GLU A 73 23.054 16.975 -38.508 1.00 0.00 H new ATOM 0 HB2 GLU A 73 23.400 14.909 -36.293 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.258 14.527 -37.997 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.528 15.888 -36.551 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.572 14.463 -37.569 1.00 0.00 H new ATOM 1055 N GLY A 74 20.608 17.120 -36.716 1.00 0.00 N ATOM 1056 CA GLY A 74 19.173 16.943 -36.594 1.00 0.00 C ATOM 1057 C GLY A 74 18.450 18.266 -36.493 1.00 0.00 C ATOM 1058 O GLY A 74 17.337 18.341 -35.973 1.00 0.00 O ATOM 0 H GLY A 74 20.988 17.912 -36.197 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.801 16.390 -37.457 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.955 16.341 -35.712 1.00 0.00 H new ATOM 1062 N ARG A 75 19.096 19.314 -36.984 1.00 0.00 N ATOM 1063 CA ARG A 75 18.536 20.651 -36.948 1.00 0.00 C ATOM 1064 C ARG A 75 18.007 21.065 -38.316 1.00 0.00 C ATOM 1065 O ARG A 75 18.211 20.370 -39.311 1.00 0.00 O ATOM 1066 CB ARG A 75 19.610 21.636 -36.500 1.00 0.00 C ATOM 1067 CG ARG A 75 19.997 21.500 -35.041 1.00 0.00 C ATOM 1068 CD ARG A 75 18.784 21.255 -34.160 1.00 0.00 C ATOM 1069 NE ARG A 75 17.648 22.085 -34.553 1.00 0.00 N ATOM 1070 CZ ARG A 75 16.439 21.978 -34.013 1.00 0.00 C ATOM 1071 NH1 ARG A 75 16.213 21.084 -33.060 1.00 0.00 N ATOM 1072 NH2 ARG A 75 15.454 22.764 -34.426 1.00 0.00 N ATOM 0 H ARG A 75 20.018 19.259 -37.416 1.00 0.00 H new ATOM 0 HA ARG A 75 17.704 20.656 -36.244 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.498 21.495 -37.116 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.256 22.651 -36.679 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.702 20.677 -34.927 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.508 22.406 -34.714 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.502 20.204 -34.215 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.042 21.461 -33.121 1.00 0.00 H new ATOM 0 HE ARG A 75 17.791 22.785 -35.281 1.00 0.00 H new ATOM 0 HH11 ARG A 75 16.968 20.477 -32.741 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.284 21.003 -32.646 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.624 23.452 -35.159 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.526 22.680 -34.010 1.00 0.00 H new ATOM 1086 N GLN A 76 17.343 22.214 -38.358 1.00 0.00 N ATOM 1087 CA GLN A 76 16.801 22.741 -39.601 1.00 0.00 C ATOM 1088 C GLN A 76 17.565 23.993 -40.020 1.00 0.00 C ATOM 1089 O GLN A 76 17.186 24.675 -40.973 1.00 0.00 O ATOM 1090 CB GLN A 76 15.313 23.063 -39.446 1.00 0.00 C ATOM 1091 CG GLN A 76 14.463 21.856 -39.088 1.00 0.00 C ATOM 1092 CD GLN A 76 13.081 21.911 -39.710 1.00 0.00 C ATOM 1093 OE1 GLN A 76 12.478 22.979 -39.817 1.00 0.00 O ATOM 1094 NE2 GLN A 76 12.570 20.756 -40.122 1.00 0.00 N ATOM 0 H GLN A 76 17.167 22.799 -37.541 1.00 0.00 H new ATOM 0 HA GLN A 76 16.913 21.981 -40.374 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.193 23.823 -38.674 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.944 23.493 -40.377 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.970 20.949 -39.417 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.367 21.792 -38.004 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.105 19.894 -40.014 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.643 20.731 -40.547 1.00 0.00 H new ATOM 1103 N ASP A 77 18.644 24.291 -39.298 1.00 0.00 N ATOM 1104 CA ASP A 77 19.461 25.461 -39.589 1.00 0.00 C ATOM 1105 C ASP A 77 20.923 25.198 -39.246 1.00 0.00 C ATOM 1106 O ASP A 77 21.785 25.179 -40.125 1.00 0.00 O ATOM 1107 CB ASP A 77 18.951 26.671 -38.805 1.00 0.00 C ATOM 1108 CG ASP A 77 19.678 27.948 -39.174 1.00 0.00 C ATOM 1109 OD1 ASP A 77 20.760 27.858 -39.792 1.00 0.00 O ATOM 1110 OD2 ASP A 77 19.167 29.039 -38.845 1.00 0.00 O ATOM 0 H ASP A 77 18.970 23.736 -38.507 1.00 0.00 H new ATOM 0 HA ASP A 77 19.388 25.671 -40.656 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.884 26.797 -38.991 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.069 26.485 -37.738 1.00 0.00 H new ATOM 1115 N GLY A 78 21.192 24.996 -37.963 1.00 0.00 N ATOM 1116 CA GLY A 78 22.550 24.734 -37.523 1.00 0.00 C ATOM 1117 C GLY A 78 22.762 25.046 -36.055 1.00 0.00 C ATOM 1118 O GLY A 78 23.737 25.702 -35.687 1.00 0.00 O ATOM 0 H GLY A 78 20.495 25.009 -37.219 1.00 0.00 H new ATOM 0 HA2 GLY A 78 22.791 23.687 -37.706 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.242 25.329 -38.120 1.00 0.00 H new ATOM 1122 N HIS A 79 21.850 24.572 -35.216 1.00 0.00 N ATOM 1123 CA HIS A 79 21.944 24.801 -33.778 1.00 0.00 C ATOM 1124 C HIS A 79 22.433 23.550 -33.056 1.00 0.00 C ATOM 1125 O HIS A 79 21.792 22.500 -33.108 1.00 0.00 O ATOM 1126 CB HIS A 79 20.590 25.225 -33.210 1.00 0.00 C ATOM 1127 CG HIS A 79 19.729 25.969 -34.183 1.00 0.00 C ATOM 1128 ND1 HIS A 79 18.376 25.737 -34.321 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.032 26.948 -35.068 1.00 0.00 C ATOM 1130 CE1 HIS A 79 17.886 26.540 -35.248 1.00 0.00 C ATOM 1131 NE2 HIS A 79 18.869 27.286 -35.716 1.00 0.00 N ATOM 0 H HIS A 79 21.037 24.027 -35.505 1.00 0.00 H new ATOM 0 HA HIS A 79 22.665 25.602 -33.617 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.055 24.338 -32.872 1.00 0.00 H new ATOM 0 HB3 HIS A 79 20.755 25.851 -32.333 1.00 0.00 H new ATOM 0 HD1 HIS A 79 17.838 25.052 -33.790 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.007 27.382 -35.234 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.855 26.579 -35.569 1.00 0.00 H new ATOM 1140 N LEU A 80 23.564 23.670 -32.376 1.00 0.00 N ATOM 1141 CA LEU A 80 24.128 22.550 -31.639 1.00 0.00 C ATOM 1142 C LEU A 80 23.120 22.017 -30.626 1.00 0.00 C ATOM 1143 O LEU A 80 22.435 22.791 -29.957 1.00 0.00 O ATOM 1144 CB LEU A 80 25.410 22.983 -30.927 1.00 0.00 C ATOM 1145 CG LEU A 80 26.636 23.134 -31.829 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.323 24.043 -33.007 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.816 23.676 -31.035 1.00 0.00 C ATOM 0 H LEU A 80 24.108 24.531 -32.320 1.00 0.00 H new ATOM 0 HA LEU A 80 24.366 21.754 -32.344 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.226 23.935 -30.428 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.639 22.254 -30.149 1.00 0.00 H new ATOM 0 HG LEU A 80 26.903 22.151 -32.216 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.207 24.139 -33.638 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.506 23.616 -33.589 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.031 25.027 -32.640 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.680 23.778 -31.691 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.559 24.651 -30.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.055 22.988 -30.224 1.00 0.00 H new ATOM 1159 N TRP A 81 23.022 20.695 -30.524 1.00 0.00 N ATOM 1160 CA TRP A 81 22.082 20.074 -29.597 1.00 0.00 C ATOM 1161 C TRP A 81 22.502 18.648 -29.250 1.00 0.00 C ATOM 1162 O TRP A 81 23.239 18.005 -29.997 1.00 0.00 O ATOM 1163 CB TRP A 81 20.680 20.058 -30.209 1.00 0.00 C ATOM 1164 CG TRP A 81 20.567 19.127 -31.378 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.654 19.457 -32.700 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.354 17.711 -31.329 1.00 0.00 C ATOM 1167 NE1 TRP A 81 20.510 18.333 -33.476 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.325 17.249 -32.658 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.188 16.790 -30.291 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.137 15.905 -32.974 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.000 15.458 -30.606 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.977 15.026 -31.938 1.00 0.00 C ATOM 0 H TRP A 81 23.579 20.036 -31.069 1.00 0.00 H new ATOM 0 HA TRP A 81 22.079 20.663 -28.680 1.00 0.00 H new ATOM 0 HB2 TRP A 81 19.959 19.765 -29.446 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.416 21.067 -30.527 1.00 0.00 H new ATOM 0 HD1 TRP A 81 20.813 20.455 -33.080 1.00 0.00 H new ATOM 0 HE1 TRP A 81 20.536 18.309 -34.495 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.206 17.114 -29.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.118 15.569 -34.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.869 14.738 -29.812 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.830 13.978 -32.152 1.00 0.00 H new ATOM 1183 N CYS A 82 22.010 18.157 -28.115 1.00 0.00 N ATOM 1184 CA CYS A 82 22.311 16.802 -27.667 1.00 0.00 C ATOM 1185 C CYS A 82 21.077 16.164 -27.038 1.00 0.00 C ATOM 1186 O CYS A 82 19.990 16.742 -27.061 1.00 0.00 O ATOM 1187 CB CYS A 82 23.469 16.802 -26.663 1.00 0.00 C ATOM 1188 SG CYS A 82 23.497 18.238 -25.542 1.00 0.00 S ATOM 0 H CYS A 82 21.399 18.680 -27.488 1.00 0.00 H new ATOM 0 HA CYS A 82 22.609 16.217 -28.537 1.00 0.00 H new ATOM 0 HB2 CYS A 82 23.415 15.892 -26.066 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.410 16.768 -27.213 1.00 0.00 H new ATOM 1193 N SER A 83 21.247 14.973 -26.477 1.00 0.00 N ATOM 1194 CA SER A 83 20.141 14.266 -25.842 1.00 0.00 C ATOM 1195 C SER A 83 20.290 14.281 -24.326 1.00 0.00 C ATOM 1196 O SER A 83 21.387 14.480 -23.810 1.00 0.00 O ATOM 1197 CB SER A 83 20.069 12.823 -26.347 1.00 0.00 C ATOM 1198 OG SER A 83 20.968 11.989 -25.638 1.00 0.00 O ATOM 0 H SER A 83 22.138 14.477 -26.449 1.00 0.00 H new ATOM 0 HA SER A 83 19.216 14.778 -26.105 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.053 12.446 -26.235 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.304 12.795 -27.411 1.00 0.00 H new ATOM 0 HG SER A 83 21.860 12.053 -26.039 1.00 0.00 H new ATOM 1204 N THR A 84 19.184 14.071 -23.618 1.00 0.00 N ATOM 1205 CA THR A 84 19.202 14.063 -22.158 1.00 0.00 C ATOM 1206 C THR A 84 18.973 12.658 -21.613 1.00 0.00 C ATOM 1207 O THR A 84 19.175 12.400 -20.427 1.00 0.00 O ATOM 1208 CB THR A 84 18.137 15.009 -21.574 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.876 14.335 -21.485 1.00 0.00 O ATOM 1210 CG2 THR A 84 17.990 16.256 -22.434 1.00 0.00 C ATOM 0 H THR A 84 18.266 13.904 -24.030 1.00 0.00 H new ATOM 0 HA THR A 84 20.189 14.412 -21.854 1.00 0.00 H new ATOM 0 HB THR A 84 18.459 15.309 -20.577 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.205 14.944 -21.111 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.232 16.909 -22.001 1.00 0.00 H new ATOM 0 HG22 THR A 84 18.943 16.784 -22.476 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.690 15.970 -23.442 1.00 0.00 H new ATOM 1218 N THR A 85 18.556 11.753 -22.489 1.00 0.00 N ATOM 1219 CA THR A 85 18.305 10.371 -22.103 1.00 0.00 C ATOM 1220 C THR A 85 18.950 9.410 -23.103 1.00 0.00 C ATOM 1221 O THR A 85 19.267 9.791 -24.229 1.00 0.00 O ATOM 1222 CB THR A 85 16.782 10.100 -21.986 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.377 10.203 -20.614 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.392 8.725 -22.520 1.00 0.00 C ATOM 0 H THR A 85 18.384 11.952 -23.474 1.00 0.00 H new ATOM 0 HA THR A 85 18.755 10.202 -21.125 1.00 0.00 H new ATOM 0 HB THR A 85 16.274 10.849 -22.594 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.414 10.033 -20.543 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.316 8.586 -22.415 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.666 8.652 -23.572 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.915 7.953 -21.955 1.00 0.00 H new ATOM 1232 N SER A 86 19.144 8.166 -22.679 1.00 0.00 N ATOM 1233 CA SER A 86 19.754 7.151 -23.533 1.00 0.00 C ATOM 1234 C SER A 86 19.022 7.039 -24.868 1.00 0.00 C ATOM 1235 O SER A 86 19.646 7.031 -25.929 1.00 0.00 O ATOM 1236 CB SER A 86 19.754 5.797 -22.824 1.00 0.00 C ATOM 1237 OG SER A 86 19.420 5.937 -21.454 1.00 0.00 O ATOM 0 H SER A 86 18.888 7.835 -21.749 1.00 0.00 H new ATOM 0 HA SER A 86 20.782 7.454 -23.733 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.041 5.130 -23.309 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.737 5.335 -22.916 1.00 0.00 H new ATOM 0 HG SER A 86 20.085 6.505 -21.012 1.00 0.00 H new ATOM 1243 N ASN A 87 17.696 6.946 -24.808 1.00 0.00 N ATOM 1244 CA ASN A 87 16.883 6.828 -26.015 1.00 0.00 C ATOM 1245 C ASN A 87 16.198 8.148 -26.349 1.00 0.00 C ATOM 1246 O ASN A 87 15.266 8.565 -25.661 1.00 0.00 O ATOM 1247 CB ASN A 87 15.830 5.735 -25.838 1.00 0.00 C ATOM 1248 CG ASN A 87 15.943 4.647 -26.886 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.686 3.679 -26.716 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.205 4.799 -27.979 1.00 0.00 N ATOM 0 H ASN A 87 17.163 6.950 -23.938 1.00 0.00 H new ATOM 0 HA ASN A 87 17.546 6.564 -26.839 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.933 5.293 -24.847 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.836 6.181 -25.887 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.240 4.098 -28.719 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.603 5.617 -28.078 1.00 0.00 H new ATOM 1257 N TYR A 88 16.656 8.798 -27.412 1.00 0.00 N ATOM 1258 CA TYR A 88 16.079 10.066 -27.837 1.00 0.00 C ATOM 1259 C TYR A 88 15.083 9.851 -28.974 1.00 0.00 C ATOM 1260 O TYR A 88 14.253 10.714 -29.258 1.00 0.00 O ATOM 1261 CB TYR A 88 17.184 11.034 -28.277 1.00 0.00 C ATOM 1262 CG TYR A 88 16.739 12.045 -29.312 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.824 11.758 -30.669 1.00 0.00 C ATOM 1264 CD2 TYR A 88 16.232 13.280 -28.934 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.417 12.674 -31.619 1.00 0.00 C ATOM 1266 CE2 TYR A 88 15.822 14.202 -29.878 1.00 0.00 C ATOM 1267 CZ TYR A 88 15.917 13.894 -31.218 1.00 0.00 C ATOM 1268 OH TYR A 88 15.509 14.810 -32.162 1.00 0.00 O ATOM 0 H TYR A 88 17.425 8.468 -27.995 1.00 0.00 H new ATOM 0 HA TYR A 88 15.548 10.501 -26.990 1.00 0.00 H new ATOM 0 HB2 TYR A 88 17.557 11.565 -27.402 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.018 10.459 -28.680 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.215 10.802 -30.986 1.00 0.00 H new ATOM 0 HD2 TYR A 88 16.157 13.525 -27.885 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.490 12.436 -32.670 1.00 0.00 H new ATOM 0 HE2 TYR A 88 15.429 15.159 -29.567 1.00 0.00 H new ATOM 0 HH TYR A 88 15.181 15.618 -31.714 1.00 0.00 H new ATOM 1278 N GLU A 89 15.179 8.696 -29.620 1.00 0.00 N ATOM 1279 CA GLU A 89 14.293 8.366 -30.729 1.00 0.00 C ATOM 1280 C GLU A 89 12.899 8.003 -30.231 1.00 0.00 C ATOM 1281 O GLU A 89 11.971 7.842 -31.024 1.00 0.00 O ATOM 1282 CB GLU A 89 14.875 7.207 -31.539 1.00 0.00 C ATOM 1283 CG GLU A 89 15.967 7.632 -32.507 1.00 0.00 C ATOM 1284 CD GLU A 89 15.527 7.551 -33.955 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.537 6.844 -34.236 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.172 8.196 -34.809 1.00 0.00 O ATOM 0 H GLU A 89 15.861 7.972 -29.395 1.00 0.00 H new ATOM 0 HA GLU A 89 14.208 9.246 -31.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.278 6.461 -30.854 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.072 6.725 -32.098 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.271 8.654 -32.280 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.843 6.999 -32.361 1.00 0.00 H new ATOM 1293 N GLN A 90 12.753 7.869 -28.916 1.00 0.00 N ATOM 1294 CA GLN A 90 11.463 7.519 -28.330 1.00 0.00 C ATOM 1295 C GLN A 90 11.060 8.506 -27.237 1.00 0.00 C ATOM 1296 O GLN A 90 9.874 8.773 -27.039 1.00 0.00 O ATOM 1297 CB GLN A 90 11.508 6.095 -27.767 1.00 0.00 C ATOM 1298 CG GLN A 90 11.952 6.020 -26.316 1.00 0.00 C ATOM 1299 CD GLN A 90 11.728 4.649 -25.707 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.994 4.504 -24.730 1.00 0.00 O ATOM 1301 NE2 GLN A 90 12.360 3.634 -26.286 1.00 0.00 N ATOM 0 H GLN A 90 13.506 7.996 -28.240 1.00 0.00 H new ATOM 0 HA GLN A 90 10.712 7.569 -29.119 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.518 5.648 -27.857 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.185 5.496 -28.375 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.010 6.274 -26.250 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.408 6.765 -25.735 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.959 3.801 -27.095 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.246 2.688 -25.922 1.00 0.00 H new ATOM 1310 N ASP A 91 12.047 9.038 -26.527 1.00 0.00 N ATOM 1311 CA ASP A 91 11.789 9.987 -25.450 1.00 0.00 C ATOM 1312 C ASP A 91 11.561 11.396 -25.990 1.00 0.00 C ATOM 1313 O ASP A 91 10.718 12.134 -25.483 1.00 0.00 O ATOM 1314 CB ASP A 91 12.951 9.988 -24.460 1.00 0.00 C ATOM 1315 CG ASP A 91 13.034 8.698 -23.667 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.446 7.671 -24.245 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.688 8.716 -22.466 1.00 0.00 O ATOM 0 H ASP A 91 13.034 8.829 -26.677 1.00 0.00 H new ATOM 0 HA ASP A 91 10.880 9.672 -24.938 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.885 10.140 -25.000 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.839 10.827 -23.773 1.00 0.00 H new ATOM 1322 N GLN A 92 12.314 11.762 -27.020 1.00 0.00 N ATOM 1323 CA GLN A 92 12.189 13.086 -27.621 1.00 0.00 C ATOM 1324 C GLN A 92 12.548 14.173 -26.614 1.00 0.00 C ATOM 1325 O GLN A 92 11.802 15.135 -26.427 1.00 0.00 O ATOM 1326 CB GLN A 92 10.765 13.300 -28.139 1.00 0.00 C ATOM 1327 CG GLN A 92 10.523 12.703 -29.515 1.00 0.00 C ATOM 1328 CD GLN A 92 10.974 13.618 -30.635 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.575 14.781 -30.702 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.811 13.096 -31.525 1.00 0.00 N ATOM 0 H GLN A 92 13.016 11.164 -27.456 1.00 0.00 H new ATOM 0 HA GLN A 92 12.884 13.148 -28.458 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.060 12.861 -27.433 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.557 14.369 -28.174 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.051 11.753 -29.593 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.461 12.488 -29.632 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.116 12.127 -31.431 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.148 13.664 -32.302 1.00 0.00 H new ATOM 1339 N LYS A 93 13.701 14.014 -25.973 1.00 0.00 N ATOM 1340 CA LYS A 93 14.174 14.979 -24.987 1.00 0.00 C ATOM 1341 C LYS A 93 15.621 15.381 -25.271 1.00 0.00 C ATOM 1342 O LYS A 93 16.558 14.868 -24.665 1.00 0.00 O ATOM 1343 CB LYS A 93 14.024 14.422 -23.559 1.00 0.00 C ATOM 1344 CG LYS A 93 14.954 13.264 -23.207 1.00 0.00 C ATOM 1345 CD LYS A 93 14.809 12.093 -24.166 1.00 0.00 C ATOM 1346 CE LYS A 93 15.996 12.000 -25.115 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.692 10.691 -24.999 1.00 0.00 N ATOM 0 H LYS A 93 14.328 13.223 -26.120 1.00 0.00 H new ATOM 0 HA LYS A 93 13.556 15.874 -25.064 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.197 15.233 -22.851 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.994 14.093 -23.422 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.986 13.614 -23.218 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.743 12.927 -22.192 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.721 11.166 -23.600 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.890 12.204 -24.741 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.654 12.141 -26.140 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.698 12.806 -24.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.202 10.489 -25.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.368 10.726 -24.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.994 9.941 -24.823 1.00 0.00 H new ATOM 1361 N TYR A 94 15.795 16.304 -26.209 1.00 0.00 N ATOM 1362 CA TYR A 94 17.122 16.772 -26.583 1.00 0.00 C ATOM 1363 C TYR A 94 17.383 18.180 -26.059 1.00 0.00 C ATOM 1364 O TYR A 94 16.454 18.963 -25.860 1.00 0.00 O ATOM 1365 CB TYR A 94 17.280 16.751 -28.104 1.00 0.00 C ATOM 1366 CG TYR A 94 16.712 17.975 -28.789 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.361 19.202 -28.711 1.00 0.00 C ATOM 1368 CD2 TYR A 94 15.528 17.906 -29.511 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.846 20.323 -29.335 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.007 19.022 -30.138 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.669 20.228 -30.047 1.00 0.00 C ATOM 1372 OH TYR A 94 15.153 21.341 -30.669 1.00 0.00 O ATOM 0 H TYR A 94 15.032 16.743 -26.725 1.00 0.00 H new ATOM 0 HA TYR A 94 17.851 16.099 -26.132 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.338 16.666 -28.350 1.00 0.00 H new ATOM 0 HB3 TYR A 94 16.788 15.862 -28.500 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.283 19.281 -28.154 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.005 16.964 -29.584 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.363 21.269 -29.265 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.086 18.950 -30.697 1.00 0.00 H new ATOM 0 HH TYR A 94 15.733 22.111 -30.495 1.00 0.00 H new ATOM 1382 N SER A 95 18.657 18.495 -25.850 1.00 0.00 N ATOM 1383 CA SER A 95 19.054 19.810 -25.360 1.00 0.00 C ATOM 1384 C SER A 95 19.864 20.546 -26.418 1.00 0.00 C ATOM 1385 O SER A 95 20.318 19.947 -27.394 1.00 0.00 O ATOM 1386 CB SER A 95 19.873 19.678 -24.074 1.00 0.00 C ATOM 1387 OG SER A 95 19.728 18.389 -23.506 1.00 0.00 O ATOM 0 H SER A 95 19.434 17.855 -26.013 1.00 0.00 H new ATOM 0 HA SER A 95 18.152 20.382 -25.144 1.00 0.00 H new ATOM 0 HB2 SER A 95 20.925 19.868 -24.288 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.552 20.433 -23.356 1.00 0.00 H new ATOM 0 HG SER A 95 20.612 18.028 -23.284 1.00 0.00 H new ATOM 1393 N PHE A 96 20.044 21.848 -26.224 1.00 0.00 N ATOM 1394 CA PHE A 96 20.801 22.656 -27.169 1.00 0.00 C ATOM 1395 C PHE A 96 22.254 22.788 -26.735 1.00 0.00 C ATOM 1396 O PHE A 96 22.682 22.163 -25.764 1.00 0.00 O ATOM 1397 CB PHE A 96 20.165 24.040 -27.312 1.00 0.00 C ATOM 1398 CG PHE A 96 19.073 24.083 -28.340 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.278 23.557 -29.606 1.00 0.00 C ATOM 1400 CD2 PHE A 96 17.841 24.642 -28.042 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.274 23.588 -30.555 1.00 0.00 C ATOM 1402 CE2 PHE A 96 16.833 24.675 -28.986 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.050 24.148 -30.245 1.00 0.00 C ATOM 0 H PHE A 96 19.677 22.363 -25.424 1.00 0.00 H new ATOM 0 HA PHE A 96 20.779 22.154 -28.136 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.761 24.349 -26.348 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.937 24.762 -27.580 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.233 23.118 -29.853 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.667 25.057 -27.060 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.446 23.175 -31.538 1.00 0.00 H new ATOM 0 HE2 PHE A 96 15.876 25.112 -28.740 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.264 24.174 -30.985 1.00 0.00 H new ATOM 1413 N CYS A 97 23.011 23.598 -27.464 1.00 0.00 N ATOM 1414 CA CYS A 97 24.421 23.807 -27.160 1.00 0.00 C ATOM 1415 C CYS A 97 24.915 25.118 -27.762 1.00 0.00 C ATOM 1416 O CYS A 97 24.778 25.353 -28.962 1.00 0.00 O ATOM 1417 CB CYS A 97 25.253 22.642 -27.693 1.00 0.00 C ATOM 1418 SG CYS A 97 26.022 21.619 -26.398 1.00 0.00 S ATOM 0 H CYS A 97 22.672 24.122 -28.271 1.00 0.00 H new ATOM 0 HA CYS A 97 24.533 23.860 -26.077 1.00 0.00 H new ATOM 0 HB2 CYS A 97 24.616 22.008 -28.310 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.036 23.036 -28.341 1.00 0.00 H new ATOM 1423 N THR A 98 25.489 25.970 -26.919 1.00 0.00 N ATOM 1424 CA THR A 98 26.001 27.257 -27.370 1.00 0.00 C ATOM 1425 C THR A 98 27.218 27.075 -28.268 1.00 0.00 C ATOM 1426 O THR A 98 27.656 25.952 -28.517 1.00 0.00 O ATOM 1427 CB THR A 98 26.374 28.162 -26.178 1.00 0.00 C ATOM 1428 OG1 THR A 98 27.301 29.173 -26.594 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.979 27.344 -25.051 1.00 0.00 C ATOM 0 H THR A 98 25.611 25.792 -25.922 1.00 0.00 H new ATOM 0 HA THR A 98 25.205 27.738 -27.939 1.00 0.00 H new ATOM 0 HB THR A 98 25.463 28.638 -25.814 1.00 0.00 H new ATOM 0 HG1 THR A 98 27.529 29.742 -25.830 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.235 28.002 -24.221 1.00 0.00 H new ATOM 0 HG22 THR A 98 26.258 26.599 -24.715 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.879 26.843 -25.408 1.00 0.00 H new ATOM 1437 N ASP A 99 27.757 28.186 -28.757 1.00 0.00 N ATOM 1438 CA ASP A 99 28.922 28.150 -29.632 1.00 0.00 C ATOM 1439 C ASP A 99 30.046 27.325 -29.015 1.00 0.00 C ATOM 1440 O ASP A 99 30.586 26.419 -29.650 1.00 0.00 O ATOM 1441 CB ASP A 99 29.414 29.570 -29.916 1.00 0.00 C ATOM 1442 CG ASP A 99 28.993 30.066 -31.285 1.00 0.00 C ATOM 1443 OD1 ASP A 99 29.698 29.759 -32.270 1.00 0.00 O ATOM 1444 OD2 ASP A 99 27.959 30.759 -31.373 1.00 0.00 O ATOM 0 H ASP A 99 27.405 29.123 -28.562 1.00 0.00 H new ATOM 0 HA ASP A 99 28.625 27.679 -30.569 1.00 0.00 H new ATOM 0 HB2 ASP A 99 29.026 30.245 -29.153 1.00 0.00 H new ATOM 0 HB3 ASP A 99 30.501 29.596 -29.842 1.00 0.00 H new ATOM 1449 N HIS A 100 30.396 27.648 -27.776 1.00 0.00 N ATOM 1450 CA HIS A 100 31.459 26.940 -27.074 1.00 0.00 C ATOM 1451 C HIS A 100 32.823 27.323 -27.632 1.00 0.00 C ATOM 1452 O HIS A 100 33.691 27.807 -26.906 1.00 0.00 O ATOM 1453 CB HIS A 100 31.254 25.428 -27.186 1.00 0.00 C ATOM 1454 CG HIS A 100 31.823 24.662 -26.033 1.00 0.00 C ATOM 1455 ND1 HIS A 100 31.744 25.101 -24.728 1.00 0.00 N ATOM 1456 CD2 HIS A 100 32.482 23.481 -25.991 1.00 0.00 C ATOM 1457 CE1 HIS A 100 32.333 24.224 -23.935 1.00 0.00 C ATOM 1458 NE2 HIS A 100 32.789 23.232 -24.676 1.00 0.00 N ATOM 0 H HIS A 100 29.959 28.396 -27.237 1.00 0.00 H new ATOM 0 HA HIS A 100 31.422 27.226 -26.023 1.00 0.00 H new ATOM 0 HB2 HIS A 100 30.187 25.218 -27.260 1.00 0.00 H new ATOM 0 HB3 HIS A 100 31.713 25.074 -28.109 1.00 0.00 H new ATOM 0 HD2 HIS A 100 32.722 22.851 -26.835 1.00 0.00 H new ATOM 0 HE1 HIS A 100 32.426 24.305 -22.862 1.00 0.00 H new ATOM 0 HE2 HIS A 100 33.288 22.413 -24.328 1.00 0.00 H new ATOM 1467 N THR A 101 33.001 27.102 -28.928 1.00 0.00 N ATOM 1468 CA THR A 101 34.257 27.421 -29.594 1.00 0.00 C ATOM 1469 C THR A 101 34.015 27.948 -31.003 1.00 0.00 C ATOM 1470 O THR A 101 33.612 29.123 -31.135 1.00 0.00 O ATOM 1471 CB THR A 101 35.180 26.191 -29.668 1.00 0.00 C ATOM 1472 OG1 THR A 101 34.401 25.005 -29.866 1.00 0.00 O ATOM 1473 CG2 THR A 101 36.002 26.056 -28.395 1.00 0.00 C ATOM 1474 OXT THR A 101 34.231 27.180 -31.965 1.00 0.00 O ATOM 0 H THR A 101 32.290 26.702 -29.540 1.00 0.00 H new ATOM 0 HA THR A 101 34.742 28.195 -29.000 1.00 0.00 H new ATOM 0 HB THR A 101 35.860 26.324 -30.510 1.00 0.00 H new ATOM 0 HG1 THR A 101 34.995 24.227 -29.914 1.00 0.00 H new ATOM 0 HG21 THR A 101 36.647 25.180 -28.469 1.00 0.00 H new ATOM 0 HG22 THR A 101 36.615 26.948 -28.261 1.00 0.00 H new ATOM 0 HG23 THR A 101 35.334 25.943 -27.541 1.00 0.00 H new TER 1482 THR A 101