USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN : amide:sc= -0.107 X(o=-0.93,f=-1.4!) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.825! X(o=-0.93!,f=-1.4) USER MOD Set 2.1: A 84 THR OG1 : rot -56:sc= 1.28 USER MOD Set 2.2: A 85 THR OG1 : rot -174:sc= 0.244 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 161:sc= 0.0898 (180deg=0.0233) USER MOD Set 3.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -97:sc= 1.03 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= -4.66! (180deg=-4.66!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 30 THR OG1 : rot 172:sc= -1.3 USER MOD Single : A 34 ASN : amide:sc= -6.24! C(o=-6.2!,f=-9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.079) USER MOD Single : A 46 THR OG1 : rot -157:sc= -1.93! USER MOD Single : A 47 TYR OH : rot -149:sc= 0.49 USER MOD Single : A 50 ASN : amide:sc= -1.77 K(o=-1.8,f=-1!) USER MOD Single : A 51 SER OG : rot -62:sc= -5.9! USER MOD Single : A 52 ASN : amide:sc= -2.15! C(o=-2.1!,f=-4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -2.57! USER MOD Single : A 63 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.027) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.22! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 72 THR OG1 : rot 64:sc= 0.0839 USER MOD Single : A 79 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 83 SER OG : rot 109:sc= -1.74! USER MOD Single : A 86 SER OG : rot 180:sc= -0.0988 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -1:sc= 1.01 USER MOD Single : A 95 SER OG : rot 108:sc= 1.27 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.481 0.154 -39.266 1.00 0.00 N ATOM 32 CA HIS A 3 44.932 -0.368 -38.020 1.00 0.00 C ATOM 33 C HIS A 3 45.584 0.308 -36.819 1.00 0.00 C ATOM 34 O HIS A 3 46.809 0.371 -36.718 1.00 0.00 O ATOM 35 CB HIS A 3 45.136 -1.881 -37.945 1.00 0.00 C ATOM 36 CG HIS A 3 44.874 -2.449 -36.587 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.779 -3.243 -35.917 1.00 0.00 N ATOM 38 CD2 HIS A 3 43.801 -2.330 -35.770 1.00 0.00 C ATOM 39 CE1 HIS A 3 45.275 -3.590 -34.747 1.00 0.00 C ATOM 40 NE2 HIS A 3 44.077 -3.049 -34.631 1.00 0.00 N ATOM 0 HA HIS A 3 43.864 -0.153 -38.000 1.00 0.00 H new ATOM 0 HB2 HIS A 3 44.478 -2.365 -38.666 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.159 -2.117 -38.238 1.00 0.00 H new ATOM 0 HD1 HIS A 3 46.695 -3.520 -36.270 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.898 -1.774 -35.975 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.761 -4.212 -34.010 1.00 0.00 H new ATOM 49 N CYS A 4 44.756 0.821 -35.914 1.00 0.00 N ATOM 50 CA CYS A 4 45.247 1.503 -34.726 1.00 0.00 C ATOM 51 C CYS A 4 44.885 0.735 -33.459 1.00 0.00 C ATOM 52 O CYS A 4 43.863 0.051 -33.406 1.00 0.00 O ATOM 53 CB CYS A 4 44.671 2.920 -34.657 1.00 0.00 C ATOM 54 SG CYS A 4 43.516 3.333 -36.008 1.00 0.00 S ATOM 0 H CYS A 4 43.739 0.776 -35.983 1.00 0.00 H new ATOM 0 HA CYS A 4 46.334 1.556 -34.794 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.155 3.043 -33.705 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.494 3.634 -34.668 1.00 0.00 H new ATOM 59 N VAL A 5 45.730 0.857 -32.440 1.00 0.00 N ATOM 60 CA VAL A 5 45.501 0.181 -31.170 1.00 0.00 C ATOM 61 C VAL A 5 45.982 1.032 -30.001 1.00 0.00 C ATOM 62 O VAL A 5 47.128 1.481 -29.976 1.00 0.00 O ATOM 63 CB VAL A 5 46.211 -1.183 -31.115 1.00 0.00 C ATOM 64 CG1 VAL A 5 45.891 -1.899 -29.811 1.00 0.00 C ATOM 65 CG2 VAL A 5 45.821 -2.035 -32.314 1.00 0.00 C ATOM 0 H VAL A 5 46.581 1.419 -32.470 1.00 0.00 H new ATOM 0 HA VAL A 5 44.425 0.024 -31.091 1.00 0.00 H new ATOM 0 HB VAL A 5 47.287 -1.016 -31.154 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.402 -2.862 -29.790 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.227 -1.292 -28.971 1.00 0.00 H new ATOM 0 HG13 VAL A 5 44.815 -2.057 -29.737 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.332 -2.996 -32.259 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.743 -2.197 -32.310 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.108 -1.523 -33.233 1.00 0.00 H new ATOM 75 N THR A 6 45.098 1.250 -29.033 1.00 0.00 N ATOM 76 CA THR A 6 45.432 2.045 -27.859 1.00 0.00 C ATOM 77 C THR A 6 46.673 1.499 -27.164 1.00 0.00 C ATOM 78 O THR A 6 47.689 2.187 -27.060 1.00 0.00 O ATOM 79 CB THR A 6 44.268 2.074 -26.852 1.00 0.00 C ATOM 80 OG1 THR A 6 43.469 0.893 -26.992 1.00 0.00 O ATOM 81 CG2 THR A 6 43.403 3.307 -27.064 1.00 0.00 C ATOM 0 H THR A 6 44.145 0.887 -29.039 1.00 0.00 H new ATOM 0 HA THR A 6 45.628 3.059 -28.208 1.00 0.00 H new ATOM 0 HB THR A 6 44.686 2.111 -25.846 1.00 0.00 H new ATOM 0 HG1 THR A 6 42.732 0.918 -26.347 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.587 3.307 -26.342 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.008 4.204 -26.928 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.994 3.295 -28.074 1.00 0.00 H new ATOM 89 N ASP A 7 46.580 0.259 -26.693 1.00 0.00 N ATOM 90 CA ASP A 7 47.690 -0.395 -26.005 1.00 0.00 C ATOM 91 C ASP A 7 47.179 -1.489 -25.072 1.00 0.00 C ATOM 92 O ASP A 7 47.919 -2.398 -24.698 1.00 0.00 O ATOM 93 CB ASP A 7 48.504 0.627 -25.209 1.00 0.00 C ATOM 94 CG ASP A 7 49.407 -0.026 -24.180 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.171 -0.940 -24.556 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.351 0.378 -23.000 1.00 0.00 O ATOM 0 H ASP A 7 45.742 -0.317 -26.776 1.00 0.00 H new ATOM 0 HA ASP A 7 48.332 -0.850 -26.759 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.109 1.219 -25.895 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.825 1.316 -24.707 1.00 0.00 H new ATOM 101 N SER A 8 45.906 -1.390 -24.701 1.00 0.00 N ATOM 102 CA SER A 8 45.285 -2.363 -23.814 1.00 0.00 C ATOM 103 C SER A 8 44.841 -3.596 -24.590 1.00 0.00 C ATOM 104 O SER A 8 44.628 -4.663 -24.014 1.00 0.00 O ATOM 105 CB SER A 8 44.085 -1.730 -23.111 1.00 0.00 C ATOM 106 OG SER A 8 44.491 -0.977 -21.981 1.00 0.00 O ATOM 0 H SER A 8 45.283 -0.641 -25.004 1.00 0.00 H new ATOM 0 HA SER A 8 46.019 -2.671 -23.070 1.00 0.00 H new ATOM 0 HB2 SER A 8 43.551 -1.085 -23.808 1.00 0.00 H new ATOM 0 HB3 SER A 8 43.389 -2.510 -22.801 1.00 0.00 H new ATOM 0 HG SER A 8 43.704 -0.582 -21.551 1.00 0.00 H new ATOM 112 N GLY A 9 44.705 -3.441 -25.903 1.00 0.00 N ATOM 113 CA GLY A 9 44.286 -4.546 -26.741 1.00 0.00 C ATOM 114 C GLY A 9 43.246 -4.134 -27.763 1.00 0.00 C ATOM 115 O GLY A 9 42.995 -4.856 -28.729 1.00 0.00 O ATOM 0 H GLY A 9 44.878 -2.568 -26.401 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.154 -4.958 -27.256 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.881 -5.340 -26.114 1.00 0.00 H new ATOM 119 N VAL A 10 42.640 -2.970 -27.554 1.00 0.00 N ATOM 120 CA VAL A 10 41.622 -2.463 -28.466 1.00 0.00 C ATOM 121 C VAL A 10 42.108 -2.521 -29.910 1.00 0.00 C ATOM 122 O VAL A 10 43.310 -2.598 -30.167 1.00 0.00 O ATOM 123 CB VAL A 10 41.233 -1.013 -28.125 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.190 -0.496 -29.104 1.00 0.00 C ATOM 125 CG2 VAL A 10 40.726 -0.919 -26.695 1.00 0.00 C ATOM 0 H VAL A 10 42.837 -2.360 -26.761 1.00 0.00 H new ATOM 0 HA VAL A 10 40.745 -3.101 -28.351 1.00 0.00 H new ATOM 0 HB VAL A 10 42.121 -0.387 -28.213 1.00 0.00 H new ATOM 0 HG11 VAL A 10 39.927 0.530 -28.847 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.595 -0.525 -30.116 1.00 0.00 H new ATOM 0 HG13 VAL A 10 39.300 -1.122 -29.051 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.456 0.113 -26.472 1.00 0.00 H new ATOM 0 HG22 VAL A 10 39.850 -1.557 -26.577 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.508 -1.246 -26.010 1.00 0.00 H new ATOM 135 N VAL A 11 41.170 -2.486 -30.849 1.00 0.00 N ATOM 136 CA VAL A 11 41.510 -2.536 -32.266 1.00 0.00 C ATOM 137 C VAL A 11 40.847 -1.401 -33.035 1.00 0.00 C ATOM 138 O VAL A 11 39.786 -1.579 -33.634 1.00 0.00 O ATOM 139 CB VAL A 11 41.099 -3.879 -32.898 1.00 0.00 C ATOM 140 CG1 VAL A 11 41.448 -3.905 -34.377 1.00 0.00 C ATOM 141 CG2 VAL A 11 41.758 -5.038 -32.166 1.00 0.00 C ATOM 0 H VAL A 11 40.170 -2.423 -30.656 1.00 0.00 H new ATOM 0 HA VAL A 11 42.593 -2.429 -32.331 1.00 0.00 H new ATOM 0 HB VAL A 11 40.019 -3.987 -32.803 1.00 0.00 H new ATOM 0 HG11 VAL A 11 41.150 -4.862 -34.804 1.00 0.00 H new ATOM 0 HG12 VAL A 11 40.922 -3.099 -34.889 1.00 0.00 H new ATOM 0 HG13 VAL A 11 42.523 -3.772 -34.500 1.00 0.00 H new ATOM 0 HG21 VAL A 11 41.456 -5.978 -32.627 1.00 0.00 H new ATOM 0 HG22 VAL A 11 42.842 -4.937 -32.225 1.00 0.00 H new ATOM 0 HG23 VAL A 11 41.450 -5.031 -31.121 1.00 0.00 H new ATOM 151 N TYR A 12 41.485 -0.236 -33.020 1.00 0.00 N ATOM 152 CA TYR A 12 40.963 0.928 -33.723 1.00 0.00 C ATOM 153 C TYR A 12 41.409 0.921 -35.179 1.00 0.00 C ATOM 154 O TYR A 12 42.371 0.243 -35.541 1.00 0.00 O ATOM 155 CB TYR A 12 41.435 2.217 -33.046 1.00 0.00 C ATOM 156 CG TYR A 12 40.792 2.465 -31.702 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.423 2.675 -31.595 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.554 2.487 -30.542 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.832 2.900 -30.366 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.970 2.711 -29.310 1.00 0.00 C ATOM 161 CZ TYR A 12 39.609 2.917 -29.227 1.00 0.00 C ATOM 162 OH TYR A 12 39.023 3.141 -28.003 1.00 0.00 O ATOM 0 H TYR A 12 42.364 -0.073 -32.529 1.00 0.00 H new ATOM 0 HA TYR A 12 39.874 0.884 -33.688 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.517 2.176 -32.920 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.223 3.061 -33.702 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.812 2.662 -32.485 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.620 2.326 -30.603 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.766 3.062 -30.298 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.576 2.725 -28.416 1.00 0.00 H new ATOM 0 HH TYR A 12 39.112 4.088 -27.766 1.00 0.00 H new ATOM 172 N SER A 13 40.709 1.683 -36.006 1.00 0.00 N ATOM 173 CA SER A 13 41.037 1.769 -37.421 1.00 0.00 C ATOM 174 C SER A 13 40.836 3.188 -37.932 1.00 0.00 C ATOM 175 O SER A 13 39.747 3.747 -37.824 1.00 0.00 O ATOM 176 CB SER A 13 40.185 0.787 -38.226 1.00 0.00 C ATOM 177 OG SER A 13 40.569 -0.552 -37.967 1.00 0.00 O ATOM 0 H SER A 13 39.911 2.250 -35.722 1.00 0.00 H new ATOM 0 HA SER A 13 42.087 1.504 -37.547 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.133 0.922 -37.974 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.288 0.999 -39.290 1.00 0.00 H new ATOM 0 HG SER A 13 40.008 -1.161 -38.492 1.00 0.00 H new ATOM 183 N VAL A 14 41.907 3.759 -38.478 1.00 0.00 N ATOM 184 CA VAL A 14 41.887 5.119 -39.008 1.00 0.00 C ATOM 185 C VAL A 14 40.496 5.528 -39.484 1.00 0.00 C ATOM 186 O VAL A 14 40.166 5.394 -40.663 1.00 0.00 O ATOM 187 CB VAL A 14 42.885 5.273 -40.173 1.00 0.00 C ATOM 188 CG1 VAL A 14 42.802 4.075 -41.108 1.00 0.00 C ATOM 189 CG2 VAL A 14 42.636 6.568 -40.934 1.00 0.00 C ATOM 0 H VAL A 14 42.810 3.293 -38.565 1.00 0.00 H new ATOM 0 HA VAL A 14 42.179 5.775 -38.188 1.00 0.00 H new ATOM 0 HB VAL A 14 43.891 5.315 -39.756 1.00 0.00 H new ATOM 0 HG11 VAL A 14 43.513 4.201 -41.924 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.040 3.166 -40.556 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.793 4.000 -41.514 1.00 0.00 H new ATOM 0 HG21 VAL A 14 43.353 6.654 -41.751 1.00 0.00 H new ATOM 0 HG22 VAL A 14 41.624 6.564 -41.338 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.753 7.415 -40.258 1.00 0.00 H new ATOM 199 N GLY A 15 39.687 6.036 -38.560 1.00 0.00 N ATOM 200 CA GLY A 15 38.346 6.468 -38.905 1.00 0.00 C ATOM 201 C GLY A 15 37.274 5.770 -38.093 1.00 0.00 C ATOM 202 O GLY A 15 36.195 5.470 -38.604 1.00 0.00 O ATOM 0 H GLY A 15 39.937 6.156 -37.578 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.266 7.544 -38.753 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.171 6.282 -39.965 1.00 0.00 H new ATOM 206 N MET A 16 37.567 5.516 -36.823 1.00 0.00 N ATOM 207 CA MET A 16 36.616 4.853 -35.939 1.00 0.00 C ATOM 208 C MET A 16 36.349 5.697 -34.698 1.00 0.00 C ATOM 209 O MET A 16 36.213 5.160 -33.600 1.00 0.00 O ATOM 210 CB MET A 16 37.143 3.476 -35.531 1.00 0.00 C ATOM 211 CG MET A 16 36.154 2.349 -35.782 1.00 0.00 C ATOM 212 SD MET A 16 36.418 0.937 -34.691 1.00 0.00 S ATOM 213 CE MET A 16 37.897 0.228 -35.409 1.00 0.00 C ATOM 0 H MET A 16 38.454 5.759 -36.383 1.00 0.00 H new ATOM 0 HA MET A 16 35.678 4.729 -36.481 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.062 3.271 -36.079 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.401 3.494 -34.472 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.140 2.724 -35.646 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.236 2.023 -36.819 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.188 -0.657 -34.843 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.701 -0.051 -36.444 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.704 0.960 -35.377 1.00 0.00 H new ATOM 223 N GLN A 17 36.278 7.019 -34.894 1.00 0.00 N ATOM 224 CA GLN A 17 36.029 7.975 -33.808 1.00 0.00 C ATOM 225 C GLN A 17 35.492 7.292 -32.555 1.00 0.00 C ATOM 226 O GLN A 17 34.448 6.640 -32.590 1.00 0.00 O ATOM 227 CB GLN A 17 35.041 9.049 -34.271 1.00 0.00 C ATOM 228 CG GLN A 17 35.706 10.351 -34.689 1.00 0.00 C ATOM 229 CD GLN A 17 34.728 11.508 -34.751 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.518 11.322 -34.619 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.248 12.713 -34.956 1.00 0.00 N ATOM 0 H GLN A 17 36.391 7.456 -35.809 1.00 0.00 H new ATOM 0 HA GLN A 17 36.984 8.434 -33.554 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.463 8.661 -35.110 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.336 9.254 -33.465 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.503 10.590 -33.985 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.172 10.220 -35.666 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.257 12.822 -35.060 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.639 13.529 -35.009 1.00 0.00 H new ATOM 240 N TRP A 18 36.217 7.437 -31.450 1.00 0.00 N ATOM 241 CA TRP A 18 35.814 6.824 -30.188 1.00 0.00 C ATOM 242 C TRP A 18 36.124 7.733 -29.004 1.00 0.00 C ATOM 243 O TRP A 18 36.524 8.887 -29.171 1.00 0.00 O ATOM 244 CB TRP A 18 36.529 5.488 -30.002 1.00 0.00 C ATOM 245 CG TRP A 18 38.000 5.643 -29.783 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.641 5.791 -28.585 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.017 5.677 -30.790 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.993 5.908 -28.788 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.249 5.844 -30.134 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.003 5.582 -32.185 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.455 5.917 -30.827 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.199 5.656 -32.870 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.412 5.821 -32.193 1.00 0.00 C ATOM 0 H TRP A 18 37.084 7.972 -31.402 1.00 0.00 H new ATOM 0 HA TRP A 18 34.737 6.664 -30.227 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.093 4.963 -29.152 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.361 4.866 -30.881 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.155 5.813 -27.621 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.694 6.024 -28.056 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.072 5.453 -32.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.392 6.045 -30.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.198 5.585 -33.948 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.331 5.874 -32.757 1.00 0.00 H new ATOM 264 N LEU A 19 35.945 7.193 -27.805 1.00 0.00 N ATOM 265 CA LEU A 19 36.204 7.935 -26.578 1.00 0.00 C ATOM 266 C LEU A 19 36.903 7.047 -25.557 1.00 0.00 C ATOM 267 O LEU A 19 36.380 6.004 -25.165 1.00 0.00 O ATOM 268 CB LEU A 19 34.895 8.472 -25.997 1.00 0.00 C ATOM 269 CG LEU A 19 35.053 9.609 -24.986 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.805 10.953 -25.654 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.108 9.412 -23.812 1.00 0.00 C ATOM 0 H LEU A 19 35.619 6.238 -27.656 1.00 0.00 H new ATOM 0 HA LEU A 19 36.856 8.776 -26.814 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.267 8.820 -26.817 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.364 7.650 -25.516 1.00 0.00 H new ATOM 0 HG LEU A 19 36.076 9.597 -24.609 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.921 11.751 -24.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.522 11.096 -26.462 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.793 10.977 -26.059 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.234 10.230 -23.102 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.079 9.398 -24.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.333 8.466 -23.319 1.00 0.00 H new ATOM 283 N LYS A 20 38.089 7.462 -25.134 1.00 0.00 N ATOM 284 CA LYS A 20 38.861 6.699 -24.162 1.00 0.00 C ATOM 285 C LYS A 20 38.859 7.394 -22.801 1.00 0.00 C ATOM 286 O LYS A 20 38.005 8.238 -22.531 1.00 0.00 O ATOM 287 CB LYS A 20 40.290 6.495 -24.675 1.00 0.00 C ATOM 288 CG LYS A 20 40.912 7.740 -25.280 1.00 0.00 C ATOM 289 CD LYS A 20 41.199 8.793 -24.227 1.00 0.00 C ATOM 290 CE LYS A 20 42.270 8.333 -23.251 1.00 0.00 C ATOM 291 NZ LYS A 20 43.566 9.027 -23.483 1.00 0.00 N ATOM 0 H LYS A 20 38.538 8.322 -25.448 1.00 0.00 H new ATOM 0 HA LYS A 20 38.396 5.721 -24.033 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.916 6.153 -23.851 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.287 5.702 -25.423 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.838 7.473 -25.789 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.241 8.152 -26.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.520 9.715 -24.712 1.00 0.00 H new ATOM 0 HD3 LYS A 20 40.283 9.022 -23.682 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.936 8.520 -22.230 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.412 7.257 -23.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.161 8.943 -22.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.053 8.591 -24.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.390 10.032 -23.685 1.00 0.00 H new ATOM 379 N GLN A 26 37.778 11.859 -18.707 1.00 0.00 N ATOM 380 CA GLN A 26 37.344 11.377 -20.010 1.00 0.00 C ATOM 381 C GLN A 26 38.085 12.109 -21.118 1.00 0.00 C ATOM 382 O GLN A 26 38.400 13.292 -20.990 1.00 0.00 O ATOM 383 CB GLN A 26 35.835 11.564 -20.174 1.00 0.00 C ATOM 384 CG GLN A 26 35.035 10.297 -19.923 1.00 0.00 C ATOM 385 CD GLN A 26 33.555 10.477 -20.195 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.047 11.598 -20.221 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.852 9.367 -20.398 1.00 0.00 N ATOM 0 HA GLN A 26 37.573 10.313 -20.078 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.497 12.340 -19.487 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.629 11.920 -21.183 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.422 9.497 -20.554 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.175 9.983 -18.889 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.314 8.458 -20.367 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.851 9.424 -20.584 1.00 0.00 H new ATOM 396 N MET A 27 38.372 11.399 -22.199 1.00 0.00 N ATOM 397 CA MET A 27 39.090 11.985 -23.319 1.00 0.00 C ATOM 398 C MET A 27 38.722 11.281 -24.621 1.00 0.00 C ATOM 399 O MET A 27 38.814 10.058 -24.726 1.00 0.00 O ATOM 400 CB MET A 27 40.593 11.894 -23.059 1.00 0.00 C ATOM 401 CG MET A 27 41.386 13.074 -23.595 1.00 0.00 C ATOM 402 SD MET A 27 42.993 12.589 -24.251 1.00 0.00 S ATOM 403 CE MET A 27 44.036 12.851 -22.818 1.00 0.00 C ATOM 0 H MET A 27 38.119 10.419 -22.324 1.00 0.00 H new ATOM 0 HA MET A 27 38.808 13.033 -23.418 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.761 11.814 -21.985 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.975 10.978 -23.510 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.811 13.567 -24.379 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.528 13.803 -22.798 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.066 12.594 -23.066 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.986 13.898 -22.518 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.692 12.221 -21.998 1.00 0.00 H new ATOM 413 N LEU A 28 38.303 12.061 -25.611 1.00 0.00 N ATOM 414 CA LEU A 28 37.920 11.516 -26.907 1.00 0.00 C ATOM 415 C LEU A 28 39.151 11.321 -27.776 1.00 0.00 C ATOM 416 O LEU A 28 39.971 12.229 -27.913 1.00 0.00 O ATOM 417 CB LEU A 28 36.924 12.446 -27.604 1.00 0.00 C ATOM 418 CG LEU A 28 36.575 12.058 -29.041 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.104 11.687 -29.151 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.912 13.196 -29.994 1.00 0.00 C ATOM 0 H LEU A 28 38.220 13.075 -25.540 1.00 0.00 H new ATOM 0 HA LEU A 28 37.442 10.549 -26.751 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.005 12.475 -27.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.333 13.456 -27.605 1.00 0.00 H new ATOM 0 HG LEU A 28 37.170 11.188 -29.319 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.874 11.414 -30.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.892 10.843 -28.495 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.491 12.539 -28.856 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.658 12.904 -31.013 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.342 14.083 -29.717 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.978 13.417 -29.935 1.00 0.00 H new ATOM 432 N CYS A 29 39.287 10.135 -28.354 1.00 0.00 N ATOM 433 CA CYS A 29 40.437 9.840 -29.193 1.00 0.00 C ATOM 434 C CYS A 29 40.021 9.331 -30.562 1.00 0.00 C ATOM 435 O CYS A 29 39.101 8.525 -30.692 1.00 0.00 O ATOM 436 CB CYS A 29 41.354 8.831 -28.504 1.00 0.00 C ATOM 437 SG CYS A 29 43.092 8.917 -29.044 1.00 0.00 S ATOM 0 H CYS A 29 38.621 9.369 -28.258 1.00 0.00 H new ATOM 0 HA CYS A 29 40.983 10.772 -29.342 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.311 8.993 -27.427 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.976 7.826 -28.691 1.00 0.00 H new ATOM 442 N THR A 30 40.715 9.819 -31.582 1.00 0.00 N ATOM 443 CA THR A 30 40.435 9.429 -32.958 1.00 0.00 C ATOM 444 C THR A 30 41.695 8.922 -33.650 1.00 0.00 C ATOM 445 O THR A 30 42.811 9.176 -33.197 1.00 0.00 O ATOM 446 CB THR A 30 39.856 10.604 -33.772 1.00 0.00 C ATOM 447 OG1 THR A 30 38.545 10.932 -33.296 1.00 0.00 O ATOM 448 CG2 THR A 30 39.789 10.259 -35.253 1.00 0.00 C ATOM 0 H THR A 30 41.478 10.488 -31.482 1.00 0.00 H new ATOM 0 HA THR A 30 39.696 8.629 -32.915 1.00 0.00 H new ATOM 0 HB THR A 30 40.515 11.462 -33.644 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.237 11.756 -33.727 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.377 11.104 -35.805 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.791 10.039 -35.621 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.151 9.387 -35.395 1.00 0.00 H new ATOM 456 N CYS A 31 41.506 8.203 -34.749 1.00 0.00 N ATOM 457 CA CYS A 31 42.621 7.655 -35.510 1.00 0.00 C ATOM 458 C CYS A 31 42.696 8.306 -36.888 1.00 0.00 C ATOM 459 O CYS A 31 42.006 7.892 -37.820 1.00 0.00 O ATOM 460 CB CYS A 31 42.459 6.141 -35.646 1.00 0.00 C ATOM 461 SG CYS A 31 43.888 5.292 -36.390 1.00 0.00 S ATOM 0 H CYS A 31 40.587 7.985 -35.134 1.00 0.00 H new ATOM 0 HA CYS A 31 43.549 7.867 -34.980 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.275 5.718 -34.658 1.00 0.00 H new ATOM 0 HB3 CYS A 31 41.575 5.936 -36.250 1.00 0.00 H new ATOM 466 N LEU A 32 43.531 9.335 -37.006 1.00 0.00 N ATOM 467 CA LEU A 32 43.685 10.054 -38.265 1.00 0.00 C ATOM 468 C LEU A 32 44.590 9.287 -39.232 1.00 0.00 C ATOM 469 O LEU A 32 44.171 8.289 -39.815 1.00 0.00 O ATOM 470 CB LEU A 32 44.242 11.454 -38.004 1.00 0.00 C ATOM 471 CG LEU A 32 45.261 11.541 -36.865 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.466 12.361 -37.291 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.621 12.136 -35.620 1.00 0.00 C ATOM 0 H LEU A 32 44.111 9.689 -36.245 1.00 0.00 H new ATOM 0 HA LEU A 32 42.703 10.145 -38.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.709 11.819 -38.918 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.411 12.124 -37.781 1.00 0.00 H new ATOM 0 HG LEU A 32 45.599 10.532 -36.627 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.180 12.412 -36.469 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.939 11.892 -38.154 1.00 0.00 H new ATOM 0 HD13 LEU A 32 46.145 13.368 -37.556 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.361 12.190 -34.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.254 13.138 -35.843 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.789 11.507 -35.303 1.00 0.00 H new ATOM 485 N GLY A 33 45.824 9.754 -39.411 1.00 0.00 N ATOM 486 CA GLY A 33 46.736 9.084 -40.322 1.00 0.00 C ATOM 487 C GLY A 33 48.156 8.994 -39.794 1.00 0.00 C ATOM 488 O GLY A 33 48.894 8.073 -40.144 1.00 0.00 O ATOM 0 H GLY A 33 46.206 10.577 -38.946 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.366 8.078 -40.521 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.743 9.615 -41.274 1.00 0.00 H new ATOM 492 N ASN A 34 48.543 9.945 -38.950 1.00 0.00 N ATOM 493 CA ASN A 34 49.889 9.953 -38.381 1.00 0.00 C ATOM 494 C ASN A 34 49.954 9.073 -37.140 1.00 0.00 C ATOM 495 O ASN A 34 51.036 8.747 -36.652 1.00 0.00 O ATOM 496 CB ASN A 34 50.338 11.378 -38.030 1.00 0.00 C ATOM 497 CG ASN A 34 49.284 12.428 -38.330 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.605 12.368 -39.355 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.142 13.396 -37.433 1.00 0.00 N ATOM 0 H ASN A 34 47.949 10.716 -38.645 1.00 0.00 H new ATOM 0 HA ASN A 34 50.566 9.554 -39.137 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.593 11.421 -36.971 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.245 11.614 -38.587 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.448 14.129 -37.580 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.727 13.407 -36.597 1.00 0.00 H new ATOM 506 N GLY A 35 48.787 8.693 -36.633 1.00 0.00 N ATOM 507 CA GLY A 35 48.730 7.855 -35.452 1.00 0.00 C ATOM 508 C GLY A 35 47.355 7.852 -34.820 1.00 0.00 C ATOM 509 O GLY A 35 46.409 7.297 -35.378 1.00 0.00 O ATOM 0 H GLY A 35 47.879 8.951 -37.020 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.008 6.835 -35.718 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.462 8.205 -34.724 1.00 0.00 H new ATOM 513 N VAL A 36 47.243 8.478 -33.656 1.00 0.00 N ATOM 514 CA VAL A 36 45.973 8.549 -32.949 1.00 0.00 C ATOM 515 C VAL A 36 45.953 9.726 -31.978 1.00 0.00 C ATOM 516 O VAL A 36 46.702 9.752 -31.002 1.00 0.00 O ATOM 517 CB VAL A 36 45.689 7.238 -32.185 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.639 7.452 -31.106 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.247 6.147 -33.147 1.00 0.00 C ATOM 0 H VAL A 36 48.017 8.944 -33.182 1.00 0.00 H new ATOM 0 HA VAL A 36 45.192 8.695 -33.695 1.00 0.00 H new ATOM 0 HB VAL A 36 46.613 6.922 -31.700 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.458 6.513 -30.583 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.994 8.200 -30.397 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.712 7.797 -31.564 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.051 5.230 -32.592 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.339 6.461 -33.661 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.034 5.967 -33.879 1.00 0.00 H new ATOM 529 N SER A 37 45.085 10.694 -32.252 1.00 0.00 N ATOM 530 CA SER A 37 44.958 11.873 -31.404 1.00 0.00 C ATOM 531 C SER A 37 43.687 11.794 -30.565 1.00 0.00 C ATOM 532 O SER A 37 42.810 10.974 -30.830 1.00 0.00 O ATOM 533 CB SER A 37 44.946 13.144 -32.253 1.00 0.00 C ATOM 534 OG SER A 37 45.529 14.232 -31.557 1.00 0.00 O ATOM 0 H SER A 37 44.458 10.685 -33.056 1.00 0.00 H new ATOM 0 HA SER A 37 45.818 11.906 -30.735 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.490 12.969 -33.181 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.920 13.392 -32.527 1.00 0.00 H new ATOM 0 HG SER A 37 45.510 15.031 -32.124 1.00 0.00 H new ATOM 540 N CYS A 38 43.593 12.647 -29.551 1.00 0.00 N ATOM 541 CA CYS A 38 42.427 12.662 -28.675 1.00 0.00 C ATOM 542 C CYS A 38 42.276 14.017 -27.990 1.00 0.00 C ATOM 543 O CYS A 38 43.254 14.606 -27.532 1.00 0.00 O ATOM 544 CB CYS A 38 42.536 11.554 -27.623 1.00 0.00 C ATOM 545 SG CYS A 38 43.906 10.381 -27.894 1.00 0.00 S ATOM 0 H CYS A 38 44.308 13.335 -29.316 1.00 0.00 H new ATOM 0 HA CYS A 38 41.543 12.485 -29.288 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.657 12.013 -26.642 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.598 10.998 -27.601 1.00 0.00 H new ATOM 550 N GLN A 39 41.039 14.501 -27.926 1.00 0.00 N ATOM 551 CA GLN A 39 40.751 15.785 -27.300 1.00 0.00 C ATOM 552 C GLN A 39 40.191 15.592 -25.895 1.00 0.00 C ATOM 553 O GLN A 39 39.248 14.826 -25.690 1.00 0.00 O ATOM 554 CB GLN A 39 39.761 16.583 -28.150 1.00 0.00 C ATOM 555 CG GLN A 39 40.146 18.043 -28.325 1.00 0.00 C ATOM 556 CD GLN A 39 39.260 18.766 -29.321 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.553 19.710 -28.968 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.294 18.326 -30.573 1.00 0.00 N ATOM 0 H GLN A 39 40.220 14.022 -28.301 1.00 0.00 H new ATOM 0 HA GLN A 39 41.686 16.341 -27.227 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.681 16.117 -29.132 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.774 16.529 -27.690 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.089 18.548 -27.361 1.00 0.00 H new ATOM 0 HG3 GLN A 39 41.183 18.104 -28.656 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.895 17.540 -30.821 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.719 18.774 -31.287 1.00 0.00 H new ATOM 636 N GLN A 45 29.705 18.417 -16.336 1.00 0.00 N ATOM 637 CA GLN A 45 29.375 19.146 -15.115 1.00 0.00 C ATOM 638 C GLN A 45 27.883 19.462 -15.047 1.00 0.00 C ATOM 639 O GLN A 45 27.485 20.627 -15.047 1.00 0.00 O ATOM 640 CB GLN A 45 30.184 20.441 -15.035 1.00 0.00 C ATOM 641 CG GLN A 45 31.684 20.214 -14.952 1.00 0.00 C ATOM 642 CD GLN A 45 32.089 19.479 -13.690 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.794 18.471 -13.743 1.00 0.00 O ATOM 644 NE2 GLN A 45 31.643 19.981 -12.545 1.00 0.00 N ATOM 0 HA GLN A 45 29.630 18.510 -14.267 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.965 21.052 -15.911 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.861 21.008 -14.162 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.011 19.644 -15.822 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.197 21.175 -14.990 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.061 20.819 -12.548 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.882 19.529 -11.662 1.00 0.00 H new ATOM 653 N THR A 46 27.064 18.419 -14.982 1.00 0.00 N ATOM 654 CA THR A 46 25.618 18.588 -14.905 1.00 0.00 C ATOM 655 C THR A 46 25.211 19.180 -13.560 1.00 0.00 C ATOM 656 O THR A 46 25.776 18.832 -12.524 1.00 0.00 O ATOM 657 CB THR A 46 24.885 17.249 -15.108 1.00 0.00 C ATOM 658 OG1 THR A 46 25.120 16.387 -13.987 1.00 0.00 O ATOM 659 CG2 THR A 46 25.348 16.568 -16.387 1.00 0.00 C ATOM 0 H THR A 46 27.376 17.448 -14.981 1.00 0.00 H new ATOM 0 HA THR A 46 25.333 19.272 -15.704 1.00 0.00 H new ATOM 0 HB THR A 46 23.817 17.452 -15.191 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.988 15.455 -14.258 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.817 15.624 -16.510 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.140 17.215 -17.239 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.420 16.376 -16.330 1.00 0.00 H new ATOM 667 N TYR A 47 24.232 20.079 -13.580 1.00 0.00 N ATOM 668 CA TYR A 47 23.763 20.716 -12.354 1.00 0.00 C ATOM 669 C TYR A 47 22.303 20.376 -12.075 1.00 0.00 C ATOM 670 O TYR A 47 21.901 20.229 -10.921 1.00 0.00 O ATOM 671 CB TYR A 47 23.934 22.232 -12.443 1.00 0.00 C ATOM 672 CG TYR A 47 23.692 22.790 -13.827 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.417 22.798 -14.379 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.737 23.306 -14.581 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.191 23.307 -15.642 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.519 23.816 -15.846 1.00 0.00 C ATOM 677 CZ TYR A 47 23.246 23.813 -16.372 1.00 0.00 C ATOM 678 OH TYR A 47 23.024 24.321 -17.632 1.00 0.00 O ATOM 0 H TYR A 47 23.750 20.382 -14.427 1.00 0.00 H new ATOM 0 HA TYR A 47 24.366 20.333 -11.531 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.247 22.708 -11.744 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.944 22.494 -12.126 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.589 22.400 -13.811 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.737 23.309 -14.172 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.194 23.309 -16.056 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.342 24.215 -16.420 1.00 0.00 H new ATOM 0 HH TYR A 47 23.822 24.185 -18.185 1.00 0.00 H new ATOM 688 N GLY A 48 21.511 20.255 -13.134 1.00 0.00 N ATOM 689 CA GLY A 48 20.107 19.935 -12.968 1.00 0.00 C ATOM 690 C GLY A 48 19.513 19.263 -14.188 1.00 0.00 C ATOM 691 O GLY A 48 19.755 18.081 -14.434 1.00 0.00 O ATOM 0 H GLY A 48 21.815 20.372 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.987 19.282 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.553 20.849 -12.756 1.00 0.00 H new ATOM 695 N GLY A 49 18.730 20.015 -14.953 1.00 0.00 N ATOM 696 CA GLY A 49 18.109 19.466 -16.143 1.00 0.00 C ATOM 697 C GLY A 49 17.057 18.426 -15.815 1.00 0.00 C ATOM 698 O GLY A 49 16.663 18.276 -14.659 1.00 0.00 O ATOM 0 H GLY A 49 18.514 20.995 -14.770 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.653 20.272 -16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.875 19.018 -16.776 1.00 0.00 H new ATOM 702 N ASN A 50 16.603 17.703 -16.833 1.00 0.00 N ATOM 703 CA ASN A 50 15.591 16.671 -16.643 1.00 0.00 C ATOM 704 C ASN A 50 16.157 15.495 -15.851 1.00 0.00 C ATOM 705 O ASN A 50 15.423 14.581 -15.474 1.00 0.00 O ATOM 706 CB ASN A 50 15.063 16.187 -17.994 1.00 0.00 C ATOM 707 CG ASN A 50 13.641 16.641 -18.255 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.387 17.436 -19.161 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.704 16.140 -17.459 1.00 0.00 N ATOM 0 H ASN A 50 16.919 17.812 -17.797 1.00 0.00 H new ATOM 0 HA ASN A 50 14.767 17.105 -16.076 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.711 16.557 -18.788 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.106 15.098 -18.029 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.729 16.411 -17.586 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.959 15.484 -16.721 1.00 0.00 H new ATOM 716 N SER A 51 17.462 15.526 -15.600 1.00 0.00 N ATOM 717 CA SER A 51 18.121 14.462 -14.851 1.00 0.00 C ATOM 718 C SER A 51 18.569 14.961 -13.482 1.00 0.00 C ATOM 719 O SER A 51 18.913 14.170 -12.606 1.00 0.00 O ATOM 720 CB SER A 51 19.319 13.923 -15.631 1.00 0.00 C ATOM 721 OG SER A 51 19.026 12.658 -16.200 1.00 0.00 O ATOM 0 H SER A 51 18.083 16.276 -15.904 1.00 0.00 H new ATOM 0 HA SER A 51 17.403 13.655 -14.707 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.591 14.626 -16.418 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.180 13.837 -14.969 1.00 0.00 H new ATOM 0 HG SER A 51 18.840 12.013 -15.486 1.00 0.00 H new ATOM 727 N ASN A 52 18.559 16.280 -13.308 1.00 0.00 N ATOM 728 CA ASN A 52 18.958 16.891 -12.047 1.00 0.00 C ATOM 729 C ASN A 52 20.458 16.735 -11.808 1.00 0.00 C ATOM 730 O ASN A 52 20.949 16.983 -10.708 1.00 0.00 O ATOM 731 CB ASN A 52 18.174 16.275 -10.888 1.00 0.00 C ATOM 732 CG ASN A 52 18.630 16.790 -9.537 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.209 17.872 -9.434 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.372 16.013 -8.491 1.00 0.00 N ATOM 0 H ASN A 52 18.278 16.946 -14.027 1.00 0.00 H new ATOM 0 HA ASN A 52 18.733 17.956 -12.104 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.113 16.491 -11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.284 15.191 -10.915 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.656 16.305 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.890 15.124 -8.623 1.00 0.00 H new ATOM 741 N GLY A 53 21.181 16.327 -12.847 1.00 0.00 N ATOM 742 CA GLY A 53 22.618 16.155 -12.723 1.00 0.00 C ATOM 743 C GLY A 53 23.059 14.717 -12.918 1.00 0.00 C ATOM 744 O GLY A 53 24.254 14.440 -13.032 1.00 0.00 O ATOM 0 H GLY A 53 20.800 16.113 -13.769 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.119 16.786 -13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.936 16.497 -11.738 1.00 0.00 H new ATOM 748 N GLU A 54 22.100 13.798 -12.956 1.00 0.00 N ATOM 749 CA GLU A 54 22.410 12.383 -13.137 1.00 0.00 C ATOM 750 C GLU A 54 23.417 12.186 -14.265 1.00 0.00 C ATOM 751 O GLU A 54 23.644 13.084 -15.075 1.00 0.00 O ATOM 752 CB GLU A 54 21.136 11.590 -13.428 1.00 0.00 C ATOM 753 CG GLU A 54 20.101 11.673 -12.318 1.00 0.00 C ATOM 754 CD GLU A 54 18.687 11.453 -12.821 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.526 10.799 -13.873 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.742 11.935 -12.163 1.00 0.00 O ATOM 0 H GLU A 54 21.106 14.005 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 54 22.852 12.014 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.693 11.957 -14.354 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.398 10.545 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.331 10.929 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.164 12.650 -11.839 1.00 0.00 H new ATOM 763 N PRO A 55 24.036 10.998 -14.325 1.00 0.00 N ATOM 764 CA PRO A 55 25.030 10.668 -15.353 1.00 0.00 C ATOM 765 C PRO A 55 24.441 10.693 -16.759 1.00 0.00 C ATOM 766 O PRO A 55 23.242 10.488 -16.947 1.00 0.00 O ATOM 767 CB PRO A 55 25.474 9.243 -14.991 1.00 0.00 C ATOM 768 CG PRO A 55 25.046 9.045 -13.577 1.00 0.00 C ATOM 769 CD PRO A 55 23.816 9.885 -13.393 1.00 0.00 C ATOM 0 HA PRO A 55 25.846 11.391 -15.368 1.00 0.00 H new ATOM 0 HB2 PRO A 55 25.011 8.508 -15.649 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.553 9.129 -15.095 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.834 7.995 -13.377 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.832 9.348 -12.886 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.909 9.331 -13.633 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.715 10.233 -12.365 1.00 0.00 H new ATOM 777 N CYS A 56 25.296 10.942 -17.747 1.00 0.00 N ATOM 778 CA CYS A 56 24.866 10.988 -19.140 1.00 0.00 C ATOM 779 C CYS A 56 25.065 9.633 -19.811 1.00 0.00 C ATOM 780 O CYS A 56 25.388 8.646 -19.148 1.00 0.00 O ATOM 781 CB CYS A 56 25.635 12.071 -19.898 1.00 0.00 C ATOM 782 SG CYS A 56 25.624 13.701 -19.082 1.00 0.00 S ATOM 0 H CYS A 56 26.292 11.115 -17.608 1.00 0.00 H new ATOM 0 HA CYS A 56 23.804 11.231 -19.162 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.668 11.747 -20.024 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.209 12.173 -20.896 1.00 0.00 H new ATOM 787 N VAL A 57 24.867 9.585 -21.124 1.00 0.00 N ATOM 788 CA VAL A 57 25.023 8.341 -21.870 1.00 0.00 C ATOM 789 C VAL A 57 25.568 8.593 -23.273 1.00 0.00 C ATOM 790 O VAL A 57 24.966 8.184 -24.266 1.00 0.00 O ATOM 791 CB VAL A 57 23.686 7.584 -21.979 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.761 8.266 -22.975 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.924 6.133 -22.370 1.00 0.00 C ATOM 0 H VAL A 57 24.599 10.389 -21.692 1.00 0.00 H new ATOM 0 HA VAL A 57 25.738 7.732 -21.316 1.00 0.00 H new ATOM 0 HB VAL A 57 23.203 7.600 -21.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.823 7.715 -23.036 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.562 9.286 -22.647 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.235 8.286 -23.956 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.968 5.614 -22.442 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.431 6.094 -23.334 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.543 5.649 -21.614 1.00 0.00 H new ATOM 803 N LEU A 58 26.715 9.257 -23.352 1.00 0.00 N ATOM 804 CA LEU A 58 27.336 9.546 -24.640 1.00 0.00 C ATOM 805 C LEU A 58 28.474 8.572 -24.924 1.00 0.00 C ATOM 806 O LEU A 58 28.953 7.878 -24.026 1.00 0.00 O ATOM 807 CB LEU A 58 27.856 10.987 -24.697 1.00 0.00 C ATOM 808 CG LEU A 58 28.014 11.693 -23.348 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.669 11.826 -22.653 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.008 10.951 -22.467 1.00 0.00 C ATOM 0 H LEU A 58 27.232 9.604 -22.544 1.00 0.00 H new ATOM 0 HA LEU A 58 26.570 9.426 -25.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.823 10.984 -25.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.177 11.574 -25.315 1.00 0.00 H new ATOM 0 HG LEU A 58 28.404 12.695 -23.528 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.802 12.330 -21.696 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.992 12.408 -23.279 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.247 10.835 -22.485 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.106 11.469 -21.513 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.653 9.935 -22.294 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.978 10.917 -22.962 1.00 0.00 H new ATOM 822 N PRO A 59 28.918 8.509 -26.187 1.00 0.00 N ATOM 823 CA PRO A 59 28.358 9.328 -27.265 1.00 0.00 C ATOM 824 C PRO A 59 26.975 8.854 -27.698 1.00 0.00 C ATOM 825 O PRO A 59 26.778 7.678 -28.006 1.00 0.00 O ATOM 826 CB PRO A 59 29.364 9.144 -28.403 1.00 0.00 C ATOM 827 CG PRO A 59 29.968 7.805 -28.156 1.00 0.00 C ATOM 828 CD PRO A 59 30.006 7.634 -26.661 1.00 0.00 C ATOM 0 HA PRO A 59 28.219 10.365 -26.959 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.874 9.185 -29.376 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.121 9.928 -28.394 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.376 7.018 -28.623 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.970 7.745 -28.581 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.841 6.596 -26.371 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.970 7.932 -26.247 1.00 0.00 H new ATOM 836 N PHE A 60 26.020 9.778 -27.725 1.00 0.00 N ATOM 837 CA PHE A 60 24.656 9.457 -28.125 1.00 0.00 C ATOM 838 C PHE A 60 24.351 10.045 -29.498 1.00 0.00 C ATOM 839 O PHE A 60 25.175 10.748 -30.079 1.00 0.00 O ATOM 840 CB PHE A 60 23.660 9.998 -27.100 1.00 0.00 C ATOM 841 CG PHE A 60 23.895 11.438 -26.749 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.561 12.442 -27.644 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.456 11.788 -25.532 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.779 13.769 -27.330 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.675 13.113 -25.212 1.00 0.00 C ATOM 846 CZ PHE A 60 24.338 14.105 -26.112 1.00 0.00 C ATOM 0 H PHE A 60 26.166 10.756 -27.474 1.00 0.00 H new ATOM 0 HA PHE A 60 24.561 8.372 -28.175 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.649 9.887 -27.492 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.719 9.396 -26.193 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.125 12.184 -28.598 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.725 11.016 -24.826 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.513 14.543 -28.035 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.110 13.374 -24.258 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.511 15.142 -25.864 1.00 0.00 H new ATOM 856 N THR A 61 23.160 9.759 -30.008 1.00 0.00 N ATOM 857 CA THR A 61 22.751 10.268 -31.311 1.00 0.00 C ATOM 858 C THR A 61 21.543 11.185 -31.183 1.00 0.00 C ATOM 859 O THR A 61 20.483 10.771 -30.715 1.00 0.00 O ATOM 860 CB THR A 61 22.414 9.125 -32.287 1.00 0.00 C ATOM 861 OG1 THR A 61 22.884 7.878 -31.763 1.00 0.00 O ATOM 862 CG2 THR A 61 23.042 9.376 -33.650 1.00 0.00 C ATOM 0 H THR A 61 22.462 9.179 -29.541 1.00 0.00 H new ATOM 0 HA THR A 61 23.595 10.832 -31.708 1.00 0.00 H new ATOM 0 HB THR A 61 21.331 9.084 -32.404 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.664 7.157 -32.389 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.791 8.556 -34.323 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.661 10.311 -34.060 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.125 9.441 -33.545 1.00 0.00 H new ATOM 870 N TYR A 62 21.710 12.434 -31.603 1.00 0.00 N ATOM 871 CA TYR A 62 20.631 13.411 -31.535 1.00 0.00 C ATOM 872 C TYR A 62 20.513 14.189 -32.839 1.00 0.00 C ATOM 873 O TYR A 62 21.506 14.692 -33.367 1.00 0.00 O ATOM 874 CB TYR A 62 20.861 14.377 -30.374 1.00 0.00 C ATOM 875 CG TYR A 62 19.840 15.489 -30.308 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.548 15.244 -29.864 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.167 16.782 -30.694 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.609 16.255 -29.805 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.235 17.800 -30.639 1.00 0.00 C ATOM 880 CZ TYR A 62 17.958 17.532 -30.193 1.00 0.00 C ATOM 881 OH TYR A 62 17.026 18.543 -30.138 1.00 0.00 O ATOM 0 H TYR A 62 22.581 12.793 -31.994 1.00 0.00 H new ATOM 0 HA TYR A 62 19.699 12.870 -31.371 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.841 13.819 -29.438 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.856 14.812 -30.465 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.272 14.245 -29.559 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.167 16.995 -31.043 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.608 16.047 -29.457 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.505 18.800 -30.944 1.00 0.00 H new ATOM 0 HH TYR A 62 16.390 18.362 -29.415 1.00 0.00 H new ATOM 891 N ASN A 63 19.293 14.286 -33.353 1.00 0.00 N ATOM 892 CA ASN A 63 19.041 15.006 -34.595 1.00 0.00 C ATOM 893 C ASN A 63 19.646 14.269 -35.786 1.00 0.00 C ATOM 894 O ASN A 63 19.636 14.775 -36.909 1.00 0.00 O ATOM 895 CB ASN A 63 19.610 16.422 -34.509 1.00 0.00 C ATOM 896 CG ASN A 63 18.792 17.422 -35.300 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.709 17.343 -36.526 1.00 0.00 O ATOM 898 ND2 ASN A 63 18.180 18.371 -34.600 1.00 0.00 N ATOM 0 H ASN A 63 18.462 13.875 -32.928 1.00 0.00 H new ATOM 0 HA ASN A 63 17.962 15.064 -34.741 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.648 16.733 -33.465 1.00 0.00 H new ATOM 0 HB3 ASN A 63 20.635 16.422 -34.879 1.00 0.00 H new ATOM 0 HD21 ASN A 63 17.614 19.072 -35.078 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.276 18.398 -33.585 1.00 0.00 H new ATOM 905 N GLY A 64 20.169 13.072 -35.537 1.00 0.00 N ATOM 906 CA GLY A 64 20.767 12.290 -36.604 1.00 0.00 C ATOM 907 C GLY A 64 22.279 12.231 -36.512 1.00 0.00 C ATOM 908 O GLY A 64 22.914 11.403 -37.163 1.00 0.00 O ATOM 0 H GLY A 64 20.189 12.631 -34.618 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.366 11.277 -36.575 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.482 12.718 -37.565 1.00 0.00 H new ATOM 912 N ARG A 65 22.857 13.112 -35.703 1.00 0.00 N ATOM 913 CA ARG A 65 24.305 13.153 -35.532 1.00 0.00 C ATOM 914 C ARG A 65 24.713 12.499 -34.215 1.00 0.00 C ATOM 915 O ARG A 65 23.923 11.785 -33.598 1.00 0.00 O ATOM 916 CB ARG A 65 24.808 14.597 -35.592 1.00 0.00 C ATOM 917 CG ARG A 65 24.234 15.494 -34.509 1.00 0.00 C ATOM 918 CD ARG A 65 23.493 16.678 -35.105 1.00 0.00 C ATOM 919 NE ARG A 65 22.637 16.272 -36.212 1.00 0.00 N ATOM 920 CZ ARG A 65 21.981 17.127 -36.990 1.00 0.00 C ATOM 921 NH1 ARG A 65 22.089 18.432 -36.785 1.00 0.00 N ATOM 922 NH2 ARG A 65 21.217 16.676 -37.976 1.00 0.00 N ATOM 0 H ARG A 65 22.347 13.806 -35.156 1.00 0.00 H new ATOM 0 HA ARG A 65 24.762 12.592 -36.347 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.895 14.596 -35.511 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.561 15.017 -36.567 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.556 14.918 -33.879 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.039 15.852 -33.867 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.889 17.156 -34.334 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.212 17.420 -35.453 1.00 0.00 H new ATOM 0 HE ARG A 65 22.535 15.275 -36.401 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.677 18.783 -36.029 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.584 19.086 -37.384 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.133 15.672 -38.138 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.714 17.333 -38.573 1.00 0.00 H new ATOM 936 N THR A 66 25.950 12.739 -33.790 1.00 0.00 N ATOM 937 CA THR A 66 26.453 12.158 -32.550 1.00 0.00 C ATOM 938 C THR A 66 27.202 13.189 -31.712 1.00 0.00 C ATOM 939 O THR A 66 27.796 14.126 -32.245 1.00 0.00 O ATOM 940 CB THR A 66 27.388 10.968 -32.834 1.00 0.00 C ATOM 941 OG1 THR A 66 26.725 10.015 -33.674 1.00 0.00 O ATOM 942 CG2 THR A 66 27.819 10.296 -31.538 1.00 0.00 C ATOM 0 H THR A 66 26.620 13.329 -34.284 1.00 0.00 H new ATOM 0 HA THR A 66 25.584 11.810 -31.991 1.00 0.00 H new ATOM 0 HB THR A 66 28.276 11.345 -33.342 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.326 9.262 -33.852 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.479 9.458 -31.764 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.348 11.016 -30.913 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.940 9.932 -31.007 1.00 0.00 H new ATOM 950 N PHE A 67 27.170 13.009 -30.394 1.00 0.00 N ATOM 951 CA PHE A 67 27.845 13.922 -29.477 1.00 0.00 C ATOM 952 C PHE A 67 28.503 13.159 -28.332 1.00 0.00 C ATOM 953 O PHE A 67 27.885 12.290 -27.717 1.00 0.00 O ATOM 954 CB PHE A 67 26.854 14.942 -28.917 1.00 0.00 C ATOM 955 CG PHE A 67 25.897 15.478 -29.942 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.911 14.665 -30.481 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.982 16.794 -30.366 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.029 15.158 -31.424 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.104 17.291 -31.308 1.00 0.00 C ATOM 960 CZ PHE A 67 24.125 16.472 -31.838 1.00 0.00 C ATOM 0 H PHE A 67 26.683 12.238 -29.937 1.00 0.00 H new ATOM 0 HA PHE A 67 28.621 14.446 -30.035 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.286 14.479 -28.110 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.409 15.773 -28.481 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.832 13.637 -30.161 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.744 17.439 -29.955 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.265 14.516 -31.837 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.182 18.319 -31.631 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.436 16.859 -32.575 1.00 0.00 H new ATOM 970 N TYR A 68 29.758 13.495 -28.044 1.00 0.00 N ATOM 971 CA TYR A 68 30.495 12.846 -26.966 1.00 0.00 C ATOM 972 C TYR A 68 30.441 13.684 -25.693 1.00 0.00 C ATOM 973 O TYR A 68 31.187 13.442 -24.745 1.00 0.00 O ATOM 974 CB TYR A 68 31.951 12.618 -27.378 1.00 0.00 C ATOM 975 CG TYR A 68 32.141 11.445 -28.314 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.796 11.541 -29.657 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.665 10.243 -27.856 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.968 10.471 -30.515 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.840 9.169 -28.708 1.00 0.00 C ATOM 980 CZ TYR A 68 32.489 9.288 -30.036 1.00 0.00 C ATOM 981 OH TYR A 68 32.661 8.221 -30.888 1.00 0.00 O ATOM 0 H TYR A 68 30.284 14.213 -28.542 1.00 0.00 H new ATOM 0 HA TYR A 68 30.027 11.882 -26.768 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.329 13.520 -27.859 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.552 12.458 -26.483 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.387 12.466 -30.036 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.940 10.146 -26.816 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.695 10.561 -31.556 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.249 8.242 -28.336 1.00 0.00 H new ATOM 0 HH TYR A 68 32.836 8.551 -31.794 1.00 0.00 H new ATOM 991 N SER A 69 29.550 14.671 -25.681 1.00 0.00 N ATOM 992 CA SER A 69 29.396 15.549 -24.527 1.00 0.00 C ATOM 993 C SER A 69 28.139 16.402 -24.659 1.00 0.00 C ATOM 994 O SER A 69 27.439 16.340 -25.670 1.00 0.00 O ATOM 995 CB SER A 69 30.623 16.449 -24.377 1.00 0.00 C ATOM 996 OG SER A 69 31.694 15.989 -25.185 1.00 0.00 O ATOM 0 H SER A 69 28.924 14.882 -26.458 1.00 0.00 H new ATOM 0 HA SER A 69 29.301 14.926 -23.637 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.365 17.471 -24.656 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.935 16.473 -23.333 1.00 0.00 H new ATOM 0 HG SER A 69 32.466 16.582 -25.073 1.00 0.00 H new ATOM 1002 N CYS A 70 27.861 17.203 -23.634 1.00 0.00 N ATOM 1003 CA CYS A 70 26.693 18.070 -23.639 1.00 0.00 C ATOM 1004 C CYS A 70 26.644 18.909 -24.912 1.00 0.00 C ATOM 1005 O CYS A 70 27.629 18.996 -25.646 1.00 0.00 O ATOM 1006 CB CYS A 70 26.711 18.980 -22.410 1.00 0.00 C ATOM 1007 SG CYS A 70 27.217 18.144 -20.872 1.00 0.00 S ATOM 0 H CYS A 70 28.431 17.268 -22.790 1.00 0.00 H new ATOM 0 HA CYS A 70 25.801 17.444 -23.608 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.389 19.813 -22.598 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.716 19.404 -22.270 1.00 0.00 H new ATOM 1012 N THR A 71 25.493 19.522 -25.171 1.00 0.00 N ATOM 1013 CA THR A 71 25.322 20.351 -26.359 1.00 0.00 C ATOM 1014 C THR A 71 24.017 21.137 -26.306 1.00 0.00 C ATOM 1015 O THR A 71 23.173 20.904 -25.440 1.00 0.00 O ATOM 1016 CB THR A 71 25.336 19.499 -27.643 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.167 20.339 -28.792 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.231 18.456 -27.606 1.00 0.00 C ATOM 0 H THR A 71 24.667 19.461 -24.576 1.00 0.00 H new ATOM 0 HA THR A 71 26.161 21.047 -26.377 1.00 0.00 H new ATOM 0 HB THR A 71 26.297 18.989 -27.706 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.179 19.790 -29.603 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.258 17.865 -28.521 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.377 17.801 -26.747 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.264 18.953 -27.523 1.00 0.00 H new ATOM 1026 N THR A 72 23.858 22.066 -27.243 1.00 0.00 N ATOM 1027 CA THR A 72 22.654 22.887 -27.311 1.00 0.00 C ATOM 1028 C THR A 72 22.049 22.855 -28.710 1.00 0.00 C ATOM 1029 O THR A 72 21.918 23.889 -29.364 1.00 0.00 O ATOM 1030 CB THR A 72 22.949 24.350 -26.924 1.00 0.00 C ATOM 1031 OG1 THR A 72 24.046 24.851 -27.700 1.00 0.00 O ATOM 1032 CG2 THR A 72 23.276 24.459 -25.442 1.00 0.00 C ATOM 0 H THR A 72 24.548 22.269 -27.966 1.00 0.00 H new ATOM 0 HA THR A 72 21.943 22.468 -26.599 1.00 0.00 H new ATOM 0 HB THR A 72 22.059 24.946 -27.129 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.798 24.863 -28.648 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.481 25.500 -25.190 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.429 24.104 -24.855 1.00 0.00 H new ATOM 0 HG23 THR A 72 24.153 23.852 -25.217 1.00 0.00 H new ATOM 1040 N GLU A 73 21.688 21.660 -29.165 1.00 0.00 N ATOM 1041 CA GLU A 73 21.102 21.488 -30.489 1.00 0.00 C ATOM 1042 C GLU A 73 19.610 21.178 -30.397 1.00 0.00 C ATOM 1043 O GLU A 73 18.962 20.897 -31.404 1.00 0.00 O ATOM 1044 CB GLU A 73 21.817 20.363 -31.242 1.00 0.00 C ATOM 1045 CG GLU A 73 23.106 20.802 -31.916 1.00 0.00 C ATOM 1046 CD GLU A 73 23.084 20.582 -33.416 1.00 0.00 C ATOM 1047 OE1 GLU A 73 22.752 19.457 -33.846 1.00 0.00 O ATOM 1048 OE2 GLU A 73 23.399 21.534 -34.161 1.00 0.00 O ATOM 0 H GLU A 73 21.791 20.795 -28.635 1.00 0.00 H new ATOM 0 HA GLU A 73 21.226 22.424 -31.033 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.039 19.555 -30.545 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.143 19.957 -31.996 1.00 0.00 H new ATOM 0 HG2 GLU A 73 23.278 21.858 -31.710 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.943 20.253 -31.484 1.00 0.00 H new ATOM 1055 N GLY A 74 19.069 21.228 -29.183 1.00 0.00 N ATOM 1056 CA GLY A 74 17.658 20.945 -28.991 1.00 0.00 C ATOM 1057 C GLY A 74 16.887 22.139 -28.462 1.00 0.00 C ATOM 1058 O GLY A 74 15.657 22.156 -28.499 1.00 0.00 O ATOM 0 H GLY A 74 19.581 21.459 -28.331 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.223 20.628 -29.939 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.550 20.112 -28.297 1.00 0.00 H new ATOM 1122 N HIS A 79 21.386 26.406 -23.426 1.00 0.00 N ATOM 1123 CA HIS A 79 21.721 25.578 -22.274 1.00 0.00 C ATOM 1124 C HIS A 79 22.231 24.209 -22.712 1.00 0.00 C ATOM 1125 O HIS A 79 21.526 23.460 -23.389 1.00 0.00 O ATOM 1126 CB HIS A 79 20.502 25.407 -21.366 1.00 0.00 C ATOM 1127 CG HIS A 79 19.583 26.591 -21.359 1.00 0.00 C ATOM 1128 ND1 HIS A 79 18.209 26.476 -21.409 1.00 0.00 N ATOM 1129 CD2 HIS A 79 19.846 27.917 -21.303 1.00 0.00 C ATOM 1130 CE1 HIS A 79 17.668 27.682 -21.384 1.00 0.00 C ATOM 1131 NE2 HIS A 79 18.639 28.573 -21.319 1.00 0.00 N ATOM 0 HA HIS A 79 22.513 26.083 -21.721 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.943 24.527 -21.685 1.00 0.00 H new ATOM 0 HB3 HIS A 79 20.842 25.217 -20.348 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.823 28.375 -21.255 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.611 27.901 -21.412 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.514 29.585 -21.286 1.00 0.00 H new ATOM 1140 N LEU A 80 23.458 23.886 -22.316 1.00 0.00 N ATOM 1141 CA LEU A 80 24.060 22.604 -22.662 1.00 0.00 C ATOM 1142 C LEU A 80 23.341 21.468 -21.943 1.00 0.00 C ATOM 1143 O LEU A 80 22.993 21.590 -20.769 1.00 0.00 O ATOM 1144 CB LEU A 80 25.546 22.599 -22.295 1.00 0.00 C ATOM 1145 CG LEU A 80 26.487 23.107 -23.389 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.233 24.579 -23.671 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.937 22.880 -22.990 1.00 0.00 C ATOM 0 H LEU A 80 24.055 24.494 -21.755 1.00 0.00 H new ATOM 0 HA LEU A 80 23.962 22.456 -23.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.686 23.211 -21.404 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.836 21.582 -22.032 1.00 0.00 H new ATOM 0 HG LEU A 80 26.290 22.545 -24.302 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.912 24.922 -24.452 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.203 24.714 -24.001 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.402 25.158 -22.763 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.593 23.247 -23.779 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.148 23.416 -22.064 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.111 21.814 -22.840 1.00 0.00 H new ATOM 1159 N TRP A 81 23.113 20.367 -22.652 1.00 0.00 N ATOM 1160 CA TRP A 81 22.425 19.222 -22.068 1.00 0.00 C ATOM 1161 C TRP A 81 23.004 17.904 -22.573 1.00 0.00 C ATOM 1162 O TRP A 81 23.761 17.873 -23.542 1.00 0.00 O ATOM 1163 CB TRP A 81 20.932 19.282 -22.392 1.00 0.00 C ATOM 1164 CG TRP A 81 20.648 19.272 -23.862 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.561 20.357 -24.686 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.416 18.122 -24.687 1.00 0.00 C ATOM 1167 NE1 TRP A 81 20.289 19.954 -25.970 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.195 18.587 -25.997 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.376 16.746 -24.445 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.936 17.726 -27.059 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.118 15.891 -25.500 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.901 16.384 -26.794 1.00 0.00 C ATOM 0 H TRP A 81 23.393 20.244 -23.625 1.00 0.00 H new ATOM 0 HA TRP A 81 22.568 19.267 -20.988 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.431 18.434 -21.926 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.507 20.184 -21.952 1.00 0.00 H new ATOM 0 HD1 TRP A 81 20.688 21.383 -24.373 1.00 0.00 H new ATOM 0 HE1 TRP A 81 20.175 20.572 -26.774 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.544 16.358 -23.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.769 18.104 -28.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.083 14.826 -25.324 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.702 15.691 -27.598 1.00 0.00 H new ATOM 1183 N CYS A 82 22.627 16.820 -21.906 1.00 0.00 N ATOM 1184 CA CYS A 82 23.088 15.486 -22.273 1.00 0.00 C ATOM 1185 C CYS A 82 21.972 14.465 -22.074 1.00 0.00 C ATOM 1186 O CYS A 82 20.951 14.762 -21.453 1.00 0.00 O ATOM 1187 CB CYS A 82 24.308 15.093 -21.438 1.00 0.00 C ATOM 1188 SG CYS A 82 23.908 14.562 -19.741 1.00 0.00 S ATOM 0 H CYS A 82 21.999 16.839 -21.103 1.00 0.00 H new ATOM 0 HA CYS A 82 23.372 15.499 -23.325 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.837 14.286 -21.945 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.991 15.941 -21.390 1.00 0.00 H new ATOM 1193 N SER A 83 22.170 13.261 -22.600 1.00 0.00 N ATOM 1194 CA SER A 83 21.174 12.204 -22.471 1.00 0.00 C ATOM 1195 C SER A 83 21.650 11.123 -21.507 1.00 0.00 C ATOM 1196 O SER A 83 22.700 10.516 -21.710 1.00 0.00 O ATOM 1197 CB SER A 83 20.866 11.588 -23.839 1.00 0.00 C ATOM 1198 OG SER A 83 21.027 10.179 -23.813 1.00 0.00 O ATOM 0 H SER A 83 23.007 12.994 -23.117 1.00 0.00 H new ATOM 0 HA SER A 83 20.263 12.647 -22.070 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.845 11.835 -24.131 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.526 12.019 -24.592 1.00 0.00 H new ATOM 0 HG SER A 83 20.148 9.748 -23.860 1.00 0.00 H new ATOM 1204 N THR A 84 20.868 10.888 -20.459 1.00 0.00 N ATOM 1205 CA THR A 84 21.206 9.879 -19.463 1.00 0.00 C ATOM 1206 C THR A 84 20.708 8.501 -19.888 1.00 0.00 C ATOM 1207 O THR A 84 20.832 7.529 -19.145 1.00 0.00 O ATOM 1208 CB THR A 84 20.612 10.229 -18.087 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.214 9.922 -18.063 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.818 11.702 -17.771 1.00 0.00 C ATOM 0 H THR A 84 19.995 11.383 -20.278 1.00 0.00 H new ATOM 0 HA THR A 84 22.293 9.860 -19.385 1.00 0.00 H new ATOM 0 HB THR A 84 21.126 9.634 -17.332 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.764 10.389 -18.797 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.391 11.928 -16.794 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.885 11.926 -17.761 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.327 12.309 -18.531 1.00 0.00 H new ATOM 1218 N THR A 85 20.145 8.427 -21.092 1.00 0.00 N ATOM 1219 CA THR A 85 19.628 7.172 -21.622 1.00 0.00 C ATOM 1220 C THR A 85 19.733 7.139 -23.142 1.00 0.00 C ATOM 1221 O THR A 85 19.266 8.051 -23.826 1.00 0.00 O ATOM 1222 CB THR A 85 18.160 6.953 -21.213 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.055 6.869 -19.787 1.00 0.00 O ATOM 1224 CG2 THR A 85 17.602 5.684 -21.841 1.00 0.00 C ATOM 0 H THR A 85 20.036 9.224 -21.719 1.00 0.00 H new ATOM 0 HA THR A 85 20.236 6.372 -21.200 1.00 0.00 H new ATOM 0 HB THR A 85 17.579 7.802 -21.572 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.135 6.639 -19.540 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.564 5.553 -21.536 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.654 5.762 -22.927 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.188 4.826 -21.511 1.00 0.00 H new ATOM 1232 N SER A 86 20.350 6.086 -23.667 1.00 0.00 N ATOM 1233 CA SER A 86 20.516 5.939 -25.108 1.00 0.00 C ATOM 1234 C SER A 86 19.248 6.353 -25.845 1.00 0.00 C ATOM 1235 O SER A 86 19.306 7.027 -26.874 1.00 0.00 O ATOM 1236 CB SER A 86 20.871 4.492 -25.456 1.00 0.00 C ATOM 1237 OG SER A 86 19.705 3.700 -25.593 1.00 0.00 O ATOM 0 H SER A 86 20.743 5.322 -23.117 1.00 0.00 H new ATOM 0 HA SER A 86 21.329 6.592 -25.424 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.442 4.468 -26.384 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.509 4.074 -24.678 1.00 0.00 H new ATOM 0 HG SER A 86 19.959 2.780 -25.817 1.00 0.00 H new ATOM 1243 N ASN A 87 18.102 5.943 -25.312 1.00 0.00 N ATOM 1244 CA ASN A 87 16.817 6.269 -25.920 1.00 0.00 C ATOM 1245 C ASN A 87 16.203 7.509 -25.278 1.00 0.00 C ATOM 1246 O ASN A 87 15.176 7.424 -24.604 1.00 0.00 O ATOM 1247 CB ASN A 87 15.853 5.089 -25.790 1.00 0.00 C ATOM 1248 CG ASN A 87 15.348 4.603 -27.135 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.004 4.786 -28.160 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.175 3.981 -27.137 1.00 0.00 N ATOM 0 H ASN A 87 18.037 5.385 -24.461 1.00 0.00 H new ATOM 0 HA ASN A 87 16.991 6.477 -26.976 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.354 4.269 -25.275 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.005 5.383 -25.171 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.784 3.633 -28.012 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.665 3.851 -26.263 1.00 0.00 H new ATOM 1257 N TYR A 88 16.830 8.660 -25.498 1.00 0.00 N ATOM 1258 CA TYR A 88 16.332 9.913 -24.945 1.00 0.00 C ATOM 1259 C TYR A 88 15.079 10.359 -25.693 1.00 0.00 C ATOM 1260 O TYR A 88 14.306 11.179 -25.199 1.00 0.00 O ATOM 1261 CB TYR A 88 17.414 10.997 -25.026 1.00 0.00 C ATOM 1262 CG TYR A 88 16.867 12.404 -25.145 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.517 12.927 -26.383 1.00 0.00 C ATOM 1264 CD2 TYR A 88 16.699 13.205 -24.023 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.015 14.210 -26.500 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.198 14.489 -24.131 1.00 0.00 C ATOM 1267 CZ TYR A 88 15.858 14.987 -25.372 1.00 0.00 C ATOM 1268 OH TYR A 88 15.359 16.263 -25.484 1.00 0.00 O ATOM 0 H TYR A 88 17.681 8.751 -26.053 1.00 0.00 H new ATOM 0 HA TYR A 88 16.075 9.755 -23.898 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.042 10.936 -24.137 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.055 10.793 -25.884 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.639 12.322 -27.269 1.00 0.00 H new ATOM 0 HD2 TYR A 88 16.964 12.818 -23.050 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.747 14.602 -27.470 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.073 15.099 -23.249 1.00 0.00 H new ATOM 0 HH TYR A 88 15.310 16.674 -24.596 1.00 0.00 H new ATOM 1278 N GLU A 89 14.890 9.812 -26.889 1.00 0.00 N ATOM 1279 CA GLU A 89 13.735 10.150 -27.709 1.00 0.00 C ATOM 1280 C GLU A 89 12.451 9.610 -27.090 1.00 0.00 C ATOM 1281 O GLU A 89 11.353 10.062 -27.419 1.00 0.00 O ATOM 1282 CB GLU A 89 13.905 9.594 -29.125 1.00 0.00 C ATOM 1283 CG GLU A 89 14.920 10.355 -29.962 1.00 0.00 C ATOM 1284 CD GLU A 89 14.313 10.948 -31.219 1.00 0.00 C ATOM 1285 OE1 GLU A 89 13.730 12.049 -31.135 1.00 0.00 O ATOM 1286 OE2 GLU A 89 14.421 10.311 -32.288 1.00 0.00 O ATOM 0 H GLU A 89 15.523 9.132 -27.311 1.00 0.00 H new ATOM 0 HA GLU A 89 13.664 11.237 -27.759 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.210 8.549 -29.062 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.940 9.615 -29.632 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.355 11.154 -29.361 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.734 9.684 -30.238 1.00 0.00 H new ATOM 1293 N GLN A 90 12.594 8.643 -26.189 1.00 0.00 N ATOM 1294 CA GLN A 90 11.443 8.044 -25.524 1.00 0.00 C ATOM 1295 C GLN A 90 11.511 8.263 -24.016 1.00 0.00 C ATOM 1296 O GLN A 90 10.500 8.540 -23.371 1.00 0.00 O ATOM 1297 CB GLN A 90 11.359 6.547 -25.845 1.00 0.00 C ATOM 1298 CG GLN A 90 12.102 5.657 -24.858 1.00 0.00 C ATOM 1299 CD GLN A 90 11.709 4.198 -24.982 1.00 0.00 C ATOM 1300 OE1 GLN A 90 12.132 3.504 -25.907 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.892 3.724 -24.048 1.00 0.00 N ATOM 0 H GLN A 90 13.494 8.258 -25.903 1.00 0.00 H new ATOM 0 HA GLN A 90 10.543 8.532 -25.897 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.311 6.250 -25.868 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.760 6.377 -26.844 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.175 5.756 -25.021 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.901 5.999 -23.843 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.565 4.334 -23.299 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.591 2.750 -24.080 1.00 0.00 H new ATOM 1310 N ASP A 91 12.711 8.134 -23.461 1.00 0.00 N ATOM 1311 CA ASP A 91 12.915 8.316 -22.029 1.00 0.00 C ATOM 1312 C ASP A 91 12.694 9.772 -21.629 1.00 0.00 C ATOM 1313 O ASP A 91 11.852 10.072 -20.783 1.00 0.00 O ATOM 1314 CB ASP A 91 14.325 7.875 -21.634 1.00 0.00 C ATOM 1315 CG ASP A 91 14.366 6.442 -21.142 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.578 5.616 -21.651 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.185 6.143 -20.247 1.00 0.00 O ATOM 0 H ASP A 91 13.558 7.904 -23.981 1.00 0.00 H new ATOM 0 HA ASP A 91 12.188 7.699 -21.502 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.989 7.981 -22.492 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.704 8.535 -20.854 1.00 0.00 H new ATOM 1322 N GLN A 92 13.456 10.670 -22.243 1.00 0.00 N ATOM 1323 CA GLN A 92 13.345 12.094 -21.952 1.00 0.00 C ATOM 1324 C GLN A 92 14.091 12.449 -20.670 1.00 0.00 C ATOM 1325 O GLN A 92 13.812 13.470 -20.040 1.00 0.00 O ATOM 1326 CB GLN A 92 11.874 12.499 -21.828 1.00 0.00 C ATOM 1327 CG GLN A 92 11.510 13.726 -22.648 1.00 0.00 C ATOM 1328 CD GLN A 92 10.769 13.376 -23.923 1.00 0.00 C ATOM 1329 OE1 GLN A 92 9.553 13.544 -24.015 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.500 12.883 -24.917 1.00 0.00 N ATOM 0 H GLN A 92 14.158 10.437 -22.946 1.00 0.00 H new ATOM 0 HA GLN A 92 13.798 12.643 -22.778 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.248 11.664 -22.142 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.646 12.692 -20.780 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.893 14.392 -22.045 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.419 14.274 -22.899 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.506 12.760 -24.798 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.056 12.628 -25.799 1.00 0.00 H new ATOM 1339 N LYS A 93 15.040 11.601 -20.289 1.00 0.00 N ATOM 1340 CA LYS A 93 15.828 11.825 -19.084 1.00 0.00 C ATOM 1341 C LYS A 93 17.164 12.478 -19.423 1.00 0.00 C ATOM 1342 O LYS A 93 18.206 11.823 -19.415 1.00 0.00 O ATOM 1343 CB LYS A 93 16.064 10.505 -18.348 1.00 0.00 C ATOM 1344 CG LYS A 93 14.813 9.940 -17.695 1.00 0.00 C ATOM 1345 CD LYS A 93 13.571 10.231 -18.522 1.00 0.00 C ATOM 1346 CE LYS A 93 12.356 9.496 -17.982 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.897 10.057 -16.681 1.00 0.00 N ATOM 0 H LYS A 93 15.282 10.751 -20.799 1.00 0.00 H new ATOM 0 HA LYS A 93 15.268 12.498 -18.434 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.459 9.772 -19.051 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.826 10.656 -17.584 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.923 8.863 -17.568 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.697 10.368 -16.699 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.377 11.304 -18.524 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.745 9.937 -19.557 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.545 9.554 -18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.597 8.440 -17.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.066 9.527 -16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.661 9.979 -15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.642 11.058 -16.805 1.00 0.00 H new ATOM 1361 N TYR A 94 17.124 13.772 -19.725 1.00 0.00 N ATOM 1362 CA TYR A 94 18.331 14.513 -20.071 1.00 0.00 C ATOM 1363 C TYR A 94 18.779 15.404 -18.916 1.00 0.00 C ATOM 1364 O TYR A 94 18.007 15.686 -17.999 1.00 0.00 O ATOM 1365 CB TYR A 94 18.090 15.364 -21.319 1.00 0.00 C ATOM 1366 CG TYR A 94 17.431 16.694 -21.027 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.185 17.790 -20.629 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.056 16.851 -21.149 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.587 19.007 -20.359 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.451 18.064 -20.883 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.220 19.138 -20.488 1.00 0.00 C ATOM 1372 OH TYR A 94 15.621 20.348 -20.221 1.00 0.00 O ATOM 0 H TYR A 94 16.269 14.328 -19.737 1.00 0.00 H new ATOM 0 HA TYR A 94 19.122 13.791 -20.275 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.043 15.542 -21.817 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.466 14.804 -22.016 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.256 17.690 -20.529 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.450 16.011 -21.457 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.187 19.850 -20.049 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.381 18.171 -20.984 1.00 0.00 H new ATOM 0 HH TYR A 94 16.301 20.995 -19.940 1.00 0.00 H new ATOM 1382 N SER A 95 20.032 15.845 -18.970 1.00 0.00 N ATOM 1383 CA SER A 95 20.588 16.707 -17.934 1.00 0.00 C ATOM 1384 C SER A 95 21.305 17.902 -18.555 1.00 0.00 C ATOM 1385 O SER A 95 21.795 17.825 -19.681 1.00 0.00 O ATOM 1386 CB SER A 95 21.555 15.919 -17.048 1.00 0.00 C ATOM 1387 OG SER A 95 21.920 14.693 -17.656 1.00 0.00 O ATOM 0 H SER A 95 20.682 15.619 -19.722 1.00 0.00 H new ATOM 0 HA SER A 95 19.766 17.075 -17.320 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.448 16.515 -16.859 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.091 15.725 -16.081 1.00 0.00 H new ATOM 0 HG SER A 95 22.850 14.744 -17.962 1.00 0.00 H new ATOM 1393 N PHE A 96 21.363 19.003 -17.815 1.00 0.00 N ATOM 1394 CA PHE A 96 22.019 20.214 -18.299 1.00 0.00 C ATOM 1395 C PHE A 96 23.520 20.170 -18.032 1.00 0.00 C ATOM 1396 O PHE A 96 24.042 19.185 -17.510 1.00 0.00 O ATOM 1397 CB PHE A 96 21.414 21.451 -17.634 1.00 0.00 C ATOM 1398 CG PHE A 96 20.094 21.867 -18.219 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.930 21.975 -19.590 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.018 22.154 -17.394 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.716 22.360 -20.129 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.803 22.540 -17.926 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.651 22.643 -19.296 1.00 0.00 C ATOM 0 H PHE A 96 20.965 19.083 -16.879 1.00 0.00 H new ATOM 0 HA PHE A 96 21.860 20.271 -19.376 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.284 21.253 -16.570 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.117 22.280 -17.721 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.760 21.756 -20.246 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.131 22.075 -16.323 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.601 22.439 -21.200 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.972 22.761 -17.272 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.702 22.944 -19.714 1.00 0.00 H new ATOM 1413 N CYS A 97 24.205 21.250 -18.392 1.00 0.00 N ATOM 1414 CA CYS A 97 25.646 21.348 -18.193 1.00 0.00 C ATOM 1415 C CYS A 97 26.088 22.807 -18.154 1.00 0.00 C ATOM 1416 O CYS A 97 25.495 23.663 -18.811 1.00 0.00 O ATOM 1417 CB CYS A 97 26.389 20.608 -19.307 1.00 0.00 C ATOM 1418 SG CYS A 97 25.918 18.856 -19.483 1.00 0.00 S ATOM 0 H CYS A 97 23.784 22.072 -18.824 1.00 0.00 H new ATOM 0 HA CYS A 97 25.889 20.885 -17.236 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.206 21.119 -20.252 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.460 20.667 -19.115 1.00 0.00 H new ATOM 1423 N THR A 98 27.132 23.085 -17.380 1.00 0.00 N ATOM 1424 CA THR A 98 27.651 24.442 -17.256 1.00 0.00 C ATOM 1425 C THR A 98 28.883 24.638 -18.131 1.00 0.00 C ATOM 1426 O THR A 98 28.970 25.601 -18.894 1.00 0.00 O ATOM 1427 CB THR A 98 28.012 24.779 -15.797 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.093 25.720 -15.763 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.403 23.523 -15.033 1.00 0.00 C ATOM 0 H THR A 98 27.635 22.389 -16.830 1.00 0.00 H new ATOM 0 HA THR A 98 26.859 25.114 -17.588 1.00 0.00 H new ATOM 0 HB THR A 98 27.135 25.217 -15.321 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.315 25.930 -14.832 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.654 23.786 -14.005 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.569 22.821 -15.035 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.267 23.061 -15.511 1.00 0.00 H new