USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 68 THR OG1 : rot -56:sc= 0.989 USER MOD Set 1.2: A 70 THR OG1 : rot 76:sc= -0.298 USER MOD Set 2.1: A 35 THR OG1 : rot 83:sc= -0.584! USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0229 F(o=-0.64,f=-0.023) USER MOD Single : A 11 TYR OH : rot -36:sc= 1.05 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -100:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -129:sc= -0.0964 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0.422 (180deg=0.42) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.0109 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -4.18! C(o=-5.3!,f=-4.2!) USER MOD Single : A 54 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.4!) USER MOD Single : A 56 ASN :FLIP amide:sc= -7.24! C(o=-11!,f=-7.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -177:sc= 0.349 USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= -0.3 (180deg=-1.47!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0949 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.332 0.668 -0.665 1.00 61.32 N ATOM 2 CA CYS A 1 2.135 0.467 -1.860 1.00 15.31 C ATOM 3 C CYS A 1 1.682 -0.831 -2.530 1.00 71.43 C ATOM 4 O CYS A 1 2.280 -1.885 -2.318 1.00 42.10 O ATOM 5 CB CYS A 1 3.631 0.453 -1.541 1.00 13.44 C ATOM 6 SG CYS A 1 4.662 -0.475 -2.734 1.00 35.32 S ATOM 0 H1 CYS A 1 1.625 1.548 -0.194 1.00 61.32 H new ATOM 0 H2 CYS A 1 0.328 0.734 -0.928 1.00 61.32 H new ATOM 0 H3 CYS A 1 1.468 -0.134 -0.017 1.00 61.32 H new ATOM 0 HA CYS A 1 1.985 1.300 -2.546 1.00 15.31 H new ATOM 0 HB2 CYS A 1 3.988 1.482 -1.497 1.00 13.44 H new ATOM 0 HB3 CYS A 1 3.773 0.024 -0.549 1.00 13.44 H new ATOM 11 N TYR A 2 0.629 -0.713 -3.326 1.00 62.41 N ATOM 12 CA TYR A 2 0.090 -1.865 -4.029 1.00 35.01 C ATOM 13 C TYR A 2 1.123 -2.454 -4.991 1.00 50.13 C ATOM 14 O TYR A 2 2.104 -1.795 -5.334 1.00 32.24 O ATOM 15 CB TYR A 2 -1.103 -1.346 -4.835 1.00 20.31 C ATOM 16 CG TYR A 2 -2.348 -1.062 -3.992 1.00 24.12 C ATOM 17 CD1 TYR A 2 -2.964 -2.088 -3.304 1.00 1.44 C ATOM 18 CD2 TYR A 2 -2.854 0.220 -3.919 1.00 71.42 C ATOM 19 CE1 TYR A 2 -4.135 -1.820 -2.510 1.00 73.20 C ATOM 20 CE2 TYR A 2 -4.026 0.487 -3.126 1.00 5.04 C ATOM 21 CZ TYR A 2 -4.608 -0.546 -2.460 1.00 73.12 C ATOM 22 OH TYR A 2 -5.715 -0.293 -1.711 1.00 23.53 O ATOM 0 H TYR A 2 0.135 0.162 -3.500 1.00 62.41 H new ATOM 0 HA TYR A 2 -0.190 -2.648 -3.324 1.00 35.01 H new ATOM 0 HB2 TYR A 2 -0.810 -0.432 -5.351 1.00 20.31 H new ATOM 0 HB3 TYR A 2 -1.356 -2.078 -5.602 1.00 20.31 H new ATOM 0 HD1 TYR A 2 -2.568 -3.091 -3.361 1.00 1.44 H new ATOM 0 HD2 TYR A 2 -2.371 1.023 -4.456 1.00 71.42 H new ATOM 0 HE1 TYR A 2 -4.627 -2.613 -1.966 1.00 73.20 H new ATOM 0 HE2 TYR A 2 -4.434 1.485 -3.062 1.00 5.04 H new ATOM 0 HH TYR A 2 -5.938 0.660 -1.768 1.00 23.53 H new ATOM 32 N VAL A 3 0.868 -3.688 -5.400 1.00 52.15 N ATOM 33 CA VAL A 3 1.764 -4.373 -6.317 1.00 13.14 C ATOM 34 C VAL A 3 0.947 -4.999 -7.449 1.00 42.10 C ATOM 35 O VAL A 3 -0.129 -5.539 -7.284 1.00 23.11 O ATOM 36 CB VAL A 3 2.610 -5.394 -5.555 1.00 25.43 C ATOM 37 CG1 VAL A 3 2.936 -6.603 -6.435 1.00 53.32 C ATOM 38 CG2 VAL A 3 3.888 -4.751 -5.012 1.00 64.50 C ATOM 0 H VAL A 3 0.054 -4.232 -5.113 1.00 52.15 H new ATOM 0 HA VAL A 3 2.460 -3.667 -6.771 1.00 13.14 H new ATOM 0 HB VAL A 3 2.025 -5.746 -4.706 1.00 25.43 H new ATOM 0 HG11 VAL A 3 3.538 -7.313 -5.869 1.00 53.32 H new ATOM 0 HG12 VAL A 3 2.010 -7.083 -6.751 1.00 53.32 H new ATOM 0 HG13 VAL A 3 3.492 -6.275 -7.313 1.00 53.32 H new ATOM 0 HG21 VAL A 3 4.471 -5.499 -4.474 1.00 64.50 H new ATOM 0 HG22 VAL A 3 4.477 -4.357 -5.840 1.00 64.50 H new ATOM 0 HG23 VAL A 3 3.627 -3.938 -4.334 1.00 64.50 H new ATOM 48 N ASP A 4 1.491 -4.915 -8.632 1.00 35.11 N ATOM 49 CA ASP A 4 0.796 -5.493 -9.817 1.00 44.43 C ATOM 50 C ASP A 4 1.395 -6.861 -10.159 1.00 73.12 C ATOM 51 O ASP A 4 2.600 -7.024 -9.977 1.00 22.10 O ATOM 52 CB ASP A 4 1.052 -4.497 -10.949 1.00 53.13 C ATOM 53 CG ASP A 4 0.402 -5.008 -12.236 1.00 53.41 C ATOM 54 OD1 ASP A 4 -0.263 -6.030 -12.177 1.00 4.24 O ATOM 55 OD2 ASP A 4 0.579 -4.370 -13.261 1.00 63.03 O ATOM 0 H ASP A 4 2.388 -4.471 -8.829 1.00 35.11 H new ATOM 0 HA ASP A 4 -0.269 -5.645 -9.642 1.00 44.43 H new ATOM 0 HB2 ASP A 4 0.645 -3.520 -10.687 1.00 53.13 H new ATOM 0 HB3 ASP A 4 2.124 -4.367 -11.097 1.00 53.13 H new ATOM 60 N THR A 5 0.574 -7.790 -10.627 1.00 61.03 N ATOM 61 CA THR A 5 1.062 -9.115 -10.970 1.00 74.24 C ATOM 62 C THR A 5 1.141 -9.277 -12.490 1.00 33.44 C ATOM 63 O THR A 5 1.288 -10.391 -12.992 1.00 0.42 O ATOM 64 CB THR A 5 0.151 -10.143 -10.296 1.00 70.21 C ATOM 65 OG1 THR A 5 -1.158 -9.603 -10.452 1.00 52.42 O ATOM 66 CG2 THR A 5 0.353 -10.199 -8.780 1.00 73.14 C ATOM 0 H THR A 5 -0.425 -7.651 -10.777 1.00 61.03 H new ATOM 0 HA THR A 5 2.077 -9.270 -10.605 1.00 74.24 H new ATOM 0 HB THR A 5 0.337 -11.128 -10.724 1.00 70.21 H new ATOM 0 HG1 THR A 5 -1.812 -10.208 -10.044 1.00 52.42 H new ATOM 0 HG21 THR A 5 -0.317 -10.944 -8.351 1.00 73.14 H new ATOM 0 HG22 THR A 5 1.386 -10.470 -8.560 1.00 73.14 H new ATOM 0 HG23 THR A 5 0.135 -9.223 -8.348 1.00 73.14 H new ATOM 74 N ASN A 6 1.039 -8.151 -13.179 1.00 44.40 N ATOM 75 CA ASN A 6 1.098 -8.154 -14.631 1.00 14.31 C ATOM 76 C ASN A 6 2.403 -7.498 -15.086 1.00 53.41 C ATOM 77 O ASN A 6 2.884 -7.763 -16.186 1.00 41.35 O ATOM 78 CB ASN A 6 -0.065 -7.360 -15.230 1.00 42.14 C ATOM 79 CG ASN A 6 -1.367 -7.640 -14.477 1.00 25.11 C ATOM 80 OD1 ASN A 6 -2.215 -6.779 -14.309 1.00 64.30 O ATOM 81 ND2 ASN A 6 -1.477 -8.889 -14.034 1.00 22.14 N ATOM 0 H ASN A 6 0.916 -7.230 -12.759 1.00 44.40 H new ATOM 0 HA ASN A 6 1.041 -9.189 -14.969 1.00 14.31 H new ATOM 0 HB2 ASN A 6 0.160 -6.294 -15.191 1.00 42.14 H new ATOM 0 HB3 ASN A 6 -0.185 -7.622 -16.281 1.00 42.14 H new ATOM 0 HD21 ASN A 6 -2.309 -9.176 -13.519 1.00 22.14 H new ATOM 0 HD22 ASN A 6 -0.729 -9.560 -14.209 1.00 22.14 H new ATOM 88 N ASN A 7 2.938 -6.654 -14.216 1.00 42.23 N ATOM 89 CA ASN A 7 4.178 -5.958 -14.515 1.00 42.31 C ATOM 90 C ASN A 7 3.898 -4.830 -15.510 1.00 52.31 C ATOM 91 O ASN A 7 4.759 -4.479 -16.316 1.00 31.45 O ATOM 92 CB ASN A 7 5.202 -6.903 -15.148 1.00 14.33 C ATOM 93 CG ASN A 7 6.589 -6.697 -14.537 1.00 2.41 C ATOM 94 OD1 ASN A 7 6.893 -5.423 -14.302 1.00 55.22 O flip ATOM 95 ND2 ASN A 7 7.335 -7.632 -14.295 1.00 20.43 N flip ATOM 0 H ASN A 7 2.536 -6.436 -13.304 1.00 42.23 H new ATOM 0 HA ASN A 7 4.578 -5.567 -13.580 1.00 42.31 H new ATOM 0 HB2 ASN A 7 4.887 -7.936 -15.003 1.00 14.33 H new ATOM 0 HB3 ASN A 7 5.245 -6.731 -16.223 1.00 14.33 H new ATOM 0 HD21 ASN A 7 7.039 -8.586 -14.500 1.00 20.43 H new ATOM 0 HD22 ASN A 7 8.254 -7.459 -13.888 1.00 20.43 H new ATOM 102 N ASP A 8 2.690 -4.292 -15.422 1.00 20.44 N ATOM 103 CA ASP A 8 2.285 -3.211 -16.304 1.00 64.31 C ATOM 104 C ASP A 8 2.432 -1.877 -15.570 1.00 31.25 C ATOM 105 O ASP A 8 2.574 -0.830 -16.199 1.00 75.02 O ATOM 106 CB ASP A 8 0.822 -3.362 -16.724 1.00 11.50 C ATOM 107 CG ASP A 8 -0.198 -2.832 -15.714 1.00 52.32 C ATOM 108 OD1 ASP A 8 -0.157 -1.610 -15.453 1.00 43.04 O ATOM 109 OD2 ASP A 8 -0.996 -3.661 -15.226 1.00 15.50 O ATOM 0 H ASP A 8 1.978 -4.585 -14.753 1.00 20.44 H new ATOM 0 HA ASP A 8 2.919 -3.243 -17.190 1.00 64.31 H new ATOM 0 HB2 ASP A 8 0.676 -2.843 -17.671 1.00 11.50 H new ATOM 0 HB3 ASP A 8 0.618 -4.418 -16.904 1.00 11.50 H new ATOM 114 N GLY A 9 2.393 -1.959 -14.248 1.00 12.43 N ATOM 115 CA GLY A 9 2.519 -0.771 -13.421 1.00 4.44 C ATOM 116 C GLY A 9 1.148 -0.158 -13.127 1.00 23.44 C ATOM 117 O GLY A 9 1.013 1.062 -13.050 1.00 31.35 O ATOM 0 H GLY A 9 2.276 -2.829 -13.729 1.00 12.43 H new ATOM 0 HA2 GLY A 9 3.015 -1.027 -12.485 1.00 4.44 H new ATOM 0 HA3 GLY A 9 3.148 -0.038 -13.925 1.00 4.44 H new ATOM 121 N ALA A 10 0.166 -1.034 -12.970 1.00 42.13 N ATOM 122 CA ALA A 10 -1.190 -0.595 -12.686 1.00 44.24 C ATOM 123 C ALA A 10 -1.859 -1.598 -11.745 1.00 12.11 C ATOM 124 O ALA A 10 -1.670 -2.805 -11.882 1.00 62.41 O ATOM 125 CB ALA A 10 -1.957 -0.425 -13.999 1.00 61.52 C ATOM 0 H ALA A 10 0.282 -2.045 -13.034 1.00 42.13 H new ATOM 0 HA ALA A 10 -1.184 0.373 -12.185 1.00 44.24 H new ATOM 0 HB1 ALA A 10 -2.974 -0.096 -13.786 1.00 61.52 H new ATOM 0 HB2 ALA A 10 -1.457 0.319 -14.619 1.00 61.52 H new ATOM 0 HB3 ALA A 10 -1.987 -1.377 -14.529 1.00 61.52 H new ATOM 131 N TYR A 11 -2.628 -1.060 -10.810 1.00 34.44 N ATOM 132 CA TYR A 11 -3.327 -1.893 -9.846 1.00 32.35 C ATOM 133 C TYR A 11 -4.797 -2.066 -10.233 1.00 52.54 C ATOM 134 O TYR A 11 -5.559 -1.100 -10.239 1.00 44.42 O ATOM 135 CB TYR A 11 -3.248 -1.150 -8.511 1.00 30.25 C ATOM 136 CG TYR A 11 -1.822 -0.823 -8.064 1.00 23.30 C ATOM 137 CD1 TYR A 11 -0.859 -1.812 -8.052 1.00 45.24 C ATOM 138 CD2 TYR A 11 -1.498 0.460 -7.673 1.00 11.03 C ATOM 139 CE1 TYR A 11 0.484 -1.504 -7.632 1.00 70.11 C ATOM 140 CE2 TYR A 11 -0.156 0.768 -7.252 1.00 64.34 C ATOM 141 CZ TYR A 11 0.769 -0.230 -7.253 1.00 2.51 C ATOM 142 OH TYR A 11 2.037 0.061 -6.856 1.00 1.01 O ATOM 0 H TYR A 11 -2.782 -0.058 -10.699 1.00 34.44 H new ATOM 0 HA TYR A 11 -2.878 -2.885 -9.800 1.00 32.35 H new ATOM 0 HB2 TYR A 11 -3.815 -0.222 -8.589 1.00 30.25 H new ATOM 0 HB3 TYR A 11 -3.729 -1.754 -7.742 1.00 30.25 H new ATOM 0 HD1 TYR A 11 -1.112 -2.816 -8.357 1.00 45.24 H new ATOM 0 HD2 TYR A 11 -2.251 1.234 -7.683 1.00 11.03 H new ATOM 0 HE1 TYR A 11 1.247 -2.268 -7.619 1.00 70.11 H new ATOM 0 HE2 TYR A 11 0.110 1.768 -6.943 1.00 64.34 H new ATOM 0 HH TYR A 11 2.409 -0.702 -6.366 1.00 1.01 H new ATOM 152 N GLU A 12 -5.152 -3.303 -10.548 1.00 40.31 N ATOM 153 CA GLU A 12 -6.517 -3.614 -10.936 1.00 52.13 C ATOM 154 C GLU A 12 -6.799 -5.105 -10.738 1.00 45.35 C ATOM 155 O GLU A 12 -6.207 -5.946 -11.413 1.00 22.55 O ATOM 156 CB GLU A 12 -6.786 -3.192 -12.382 1.00 63.43 C ATOM 157 CG GLU A 12 -6.102 -4.144 -13.367 1.00 15.24 C ATOM 158 CD GLU A 12 -4.639 -4.373 -12.982 1.00 35.02 C ATOM 159 OE1 GLU A 12 -3.951 -3.358 -12.739 1.00 61.41 O ATOM 160 OE2 GLU A 12 -4.243 -5.558 -12.939 1.00 2.31 O ATOM 0 H GLU A 12 -4.518 -4.102 -10.542 1.00 40.31 H new ATOM 0 HA GLU A 12 -7.194 -3.048 -10.296 1.00 52.13 H new ATOM 0 HB2 GLU A 12 -7.860 -3.181 -12.568 1.00 63.43 H new ATOM 0 HB3 GLU A 12 -6.424 -2.176 -12.542 1.00 63.43 H new ATOM 0 HG2 GLU A 12 -6.631 -5.097 -13.384 1.00 15.24 H new ATOM 0 HG3 GLU A 12 -6.156 -3.731 -14.374 1.00 15.24 H new ATOM 167 N GLY A 13 -7.702 -5.386 -9.811 1.00 40.11 N ATOM 168 CA GLY A 13 -8.069 -6.761 -9.516 1.00 41.42 C ATOM 169 C GLY A 13 -7.531 -7.191 -8.150 1.00 44.21 C ATOM 170 O GLY A 13 -7.861 -6.587 -7.131 1.00 31.35 O ATOM 0 H GLY A 13 -8.191 -4.685 -9.254 1.00 40.11 H new ATOM 0 HA2 GLY A 13 -9.154 -6.863 -9.532 1.00 41.42 H new ATOM 0 HA3 GLY A 13 -7.675 -7.420 -10.290 1.00 41.42 H new ATOM 174 N ASP A 14 -6.710 -8.231 -8.174 1.00 13.12 N ATOM 175 CA ASP A 14 -6.123 -8.749 -6.950 1.00 0.12 C ATOM 176 C ASP A 14 -4.959 -7.850 -6.527 1.00 53.14 C ATOM 177 O ASP A 14 -4.512 -7.904 -5.383 1.00 15.34 O ATOM 178 CB ASP A 14 -5.577 -10.163 -7.156 1.00 60.15 C ATOM 179 CG ASP A 14 -6.611 -11.195 -7.612 1.00 64.21 C ATOM 180 OD1 ASP A 14 -7.174 -11.092 -8.712 1.00 63.40 O ATOM 181 OD2 ASP A 14 -6.834 -12.150 -6.774 1.00 0.34 O ATOM 0 H ASP A 14 -6.438 -8.729 -9.022 1.00 13.12 H new ATOM 0 HA ASP A 14 -6.901 -8.770 -6.186 1.00 0.12 H new ATOM 0 HB2 ASP A 14 -4.776 -10.123 -7.894 1.00 60.15 H new ATOM 0 HB3 ASP A 14 -5.133 -10.505 -6.221 1.00 60.15 H new ATOM 187 N GLU A 15 -4.502 -7.044 -7.475 1.00 24.45 N ATOM 188 CA GLU A 15 -3.398 -6.135 -7.215 1.00 15.01 C ATOM 189 C GLU A 15 -3.827 -5.049 -6.226 1.00 53.13 C ATOM 190 O GLU A 15 -2.998 -4.274 -5.752 1.00 53.54 O ATOM 191 CB GLU A 15 -2.879 -5.519 -8.515 1.00 44.51 C ATOM 192 CG GLU A 15 -2.573 -6.602 -9.552 1.00 4.44 C ATOM 193 CD GLU A 15 -2.611 -6.030 -10.970 1.00 55.41 C ATOM 194 OE1 GLU A 15 -2.752 -4.792 -11.079 1.00 71.35 O ATOM 195 OE2 GLU A 15 -2.500 -6.843 -11.913 1.00 43.50 O ATOM 0 H GLU A 15 -4.876 -7.002 -8.423 1.00 24.45 H new ATOM 0 HA GLU A 15 -2.581 -6.703 -6.769 1.00 15.01 H new ATOM 0 HB2 GLU A 15 -3.620 -4.827 -8.915 1.00 44.51 H new ATOM 0 HB3 GLU A 15 -1.978 -4.940 -8.313 1.00 44.51 H new ATOM 0 HG2 GLU A 15 -1.591 -7.031 -9.356 1.00 4.44 H new ATOM 0 HG3 GLU A 15 -3.298 -7.411 -9.463 1.00 4.44 H new ATOM 202 N LEU A 16 -5.122 -5.028 -5.944 1.00 43.23 N ATOM 203 CA LEU A 16 -5.671 -4.050 -5.021 1.00 5.44 C ATOM 204 C LEU A 16 -6.096 -4.755 -3.731 1.00 54.23 C ATOM 205 O LEU A 16 -7.014 -4.304 -3.047 1.00 70.42 O ATOM 206 CB LEU A 16 -6.795 -3.255 -5.687 1.00 73.24 C ATOM 207 CG LEU A 16 -6.389 -2.391 -6.883 1.00 23.20 C ATOM 208 CD1 LEU A 16 -7.584 -2.126 -7.800 1.00 35.32 C ATOM 209 CD2 LEU A 16 -5.723 -1.094 -6.420 1.00 44.25 C ATOM 0 H LEU A 16 -5.806 -5.673 -6.339 1.00 43.23 H new ATOM 0 HA LEU A 16 -4.913 -3.316 -4.749 1.00 5.44 H new ATOM 0 HB2 LEU A 16 -7.564 -3.955 -6.014 1.00 73.24 H new ATOM 0 HB3 LEU A 16 -7.251 -2.610 -4.936 1.00 73.24 H new ATOM 0 HG LEU A 16 -5.652 -2.942 -7.467 1.00 23.20 H new ATOM 0 HD11 LEU A 16 -7.267 -1.510 -8.642 1.00 35.32 H new ATOM 0 HD12 LEU A 16 -7.975 -3.073 -8.171 1.00 35.32 H new ATOM 0 HD13 LEU A 16 -8.362 -1.606 -7.242 1.00 35.32 H new ATOM 0 HD21 LEU A 16 -5.444 -0.498 -7.289 1.00 44.25 H new ATOM 0 HD22 LEU A 16 -6.419 -0.529 -5.800 1.00 44.25 H new ATOM 0 HD23 LEU A 16 -4.831 -1.330 -5.840 1.00 44.25 H new ATOM 221 N SER A 17 -5.409 -5.849 -3.439 1.00 34.24 N ATOM 222 CA SER A 17 -5.705 -6.621 -2.244 1.00 30.24 C ATOM 223 C SER A 17 -4.888 -6.092 -1.063 1.00 51.42 C ATOM 224 O SER A 17 -5.253 -6.300 0.093 1.00 74.44 O ATOM 225 CB SER A 17 -5.418 -8.108 -2.463 1.00 51.22 C ATOM 226 OG SER A 17 -5.775 -8.894 -1.329 1.00 42.42 O ATOM 0 H SER A 17 -4.648 -6.219 -4.009 1.00 34.24 H new ATOM 0 HA SER A 17 -6.767 -6.512 -2.022 1.00 30.24 H new ATOM 0 HB2 SER A 17 -5.969 -8.459 -3.335 1.00 51.22 H new ATOM 0 HB3 SER A 17 -4.358 -8.245 -2.680 1.00 51.22 H new ATOM 0 HG SER A 17 -5.578 -9.837 -1.509 1.00 42.42 H new ATOM 232 N GLY A 18 -3.798 -5.416 -1.395 1.00 64.42 N ATOM 233 CA GLY A 18 -2.926 -4.855 -0.377 1.00 62.31 C ATOM 234 C GLY A 18 -1.569 -5.563 -0.366 1.00 34.21 C ATOM 235 O GLY A 18 -1.505 -6.790 -0.427 1.00 21.00 O ATOM 0 H GLY A 18 -3.499 -5.244 -2.355 1.00 64.42 H new ATOM 0 HA2 GLY A 18 -2.783 -3.790 -0.562 1.00 62.31 H new ATOM 0 HA3 GLY A 18 -3.397 -4.948 0.602 1.00 62.31 H new ATOM 239 N THR A 19 -0.519 -4.760 -0.287 1.00 50.53 N ATOM 240 CA THR A 19 0.832 -5.294 -0.267 1.00 42.43 C ATOM 241 C THR A 19 1.584 -4.796 0.969 1.00 41.35 C ATOM 242 O THR A 19 1.123 -3.885 1.655 1.00 31.54 O ATOM 243 CB THR A 19 1.510 -4.914 -1.585 1.00 42.12 C ATOM 244 OG1 THR A 19 0.489 -5.088 -2.564 1.00 22.03 O ATOM 245 CG2 THR A 19 2.594 -5.913 -1.995 1.00 72.24 C ATOM 0 H THR A 19 -0.576 -3.743 -0.236 1.00 50.53 H new ATOM 0 HA THR A 19 0.827 -6.381 -0.189 1.00 42.43 H new ATOM 0 HB THR A 19 1.948 -3.920 -1.494 1.00 42.12 H new ATOM 0 HG1 THR A 19 0.616 -5.946 -3.021 1.00 22.03 H new ATOM 0 HG21 THR A 19 3.043 -5.597 -2.936 1.00 72.24 H new ATOM 0 HG22 THR A 19 3.362 -5.954 -1.222 1.00 72.24 H new ATOM 0 HG23 THR A 19 2.150 -6.901 -2.119 1.00 72.24 H new ATOM 253 N MET A 20 2.730 -5.415 1.214 1.00 54.51 N ATOM 254 CA MET A 20 3.550 -5.046 2.355 1.00 1.40 C ATOM 255 C MET A 20 4.912 -4.515 1.903 1.00 51.35 C ATOM 256 O MET A 20 5.617 -5.174 1.140 1.00 53.44 O ATOM 257 CB MET A 20 3.751 -6.266 3.255 1.00 23.22 C ATOM 258 CG MET A 20 2.412 -6.783 3.786 1.00 4.42 C ATOM 259 SD MET A 20 2.689 -8.059 5.002 1.00 25.43 S ATOM 260 CE MET A 20 1.058 -8.164 5.719 1.00 2.34 C ATOM 0 H MET A 20 3.110 -6.169 0.642 1.00 54.51 H new ATOM 0 HA MET A 20 3.038 -4.257 2.906 1.00 1.40 H new ATOM 0 HB2 MET A 20 4.254 -7.055 2.696 1.00 23.22 H new ATOM 0 HB3 MET A 20 4.400 -6.003 4.090 1.00 23.22 H new ATOM 0 HG2 MET A 20 1.846 -5.963 4.229 1.00 4.42 H new ATOM 0 HG3 MET A 20 1.813 -7.176 2.965 1.00 4.42 H new ATOM 0 HE1 MET A 20 1.053 -8.921 6.503 1.00 2.34 H new ATOM 0 HE2 MET A 20 0.785 -7.199 6.145 1.00 2.34 H new ATOM 0 HE3 MET A 20 0.338 -8.437 4.947 1.00 2.34 H new ATOM 270 N GLU A 21 5.241 -3.328 2.392 1.00 22.41 N ATOM 271 CA GLU A 21 6.506 -2.701 2.048 1.00 71.54 C ATOM 272 C GLU A 21 7.533 -2.934 3.157 1.00 24.41 C ATOM 273 O GLU A 21 7.284 -2.610 4.317 1.00 42.40 O ATOM 274 CB GLU A 21 6.321 -1.207 1.776 1.00 22.24 C ATOM 275 CG GLU A 21 7.657 -0.466 1.858 1.00 2.21 C ATOM 276 CD GLU A 21 7.511 0.982 1.385 1.00 73.34 C ATOM 277 OE1 GLU A 21 8.475 1.758 1.457 1.00 12.32 O ATOM 278 OE2 GLU A 21 6.345 1.290 0.927 1.00 52.42 O ATOM 0 H GLU A 21 4.653 -2.784 3.024 1.00 22.41 H new ATOM 0 HA GLU A 21 6.880 -3.160 1.132 1.00 71.54 H new ATOM 0 HB2 GLU A 21 5.882 -1.065 0.788 1.00 22.24 H new ATOM 0 HB3 GLU A 21 5.622 -0.786 2.499 1.00 22.24 H new ATOM 0 HG2 GLU A 21 8.023 -0.482 2.885 1.00 2.21 H new ATOM 0 HG3 GLU A 21 8.400 -0.979 1.247 1.00 2.21 H new ATOM 286 N TYR A 22 8.667 -3.495 2.762 1.00 72.51 N ATOM 287 CA TYR A 22 9.733 -3.776 3.708 1.00 0.34 C ATOM 288 C TYR A 22 11.003 -3.001 3.350 1.00 55.35 C ATOM 289 O TYR A 22 11.262 -2.737 2.177 1.00 42.35 O ATOM 290 CB TYR A 22 10.015 -5.275 3.594 1.00 45.13 C ATOM 291 CG TYR A 22 8.764 -6.152 3.671 1.00 0.43 C ATOM 292 CD1 TYR A 22 8.024 -6.400 2.533 1.00 32.02 C ATOM 293 CD2 TYR A 22 8.375 -6.694 4.879 1.00 23.03 C ATOM 294 CE1 TYR A 22 6.846 -7.225 2.606 1.00 31.12 C ATOM 295 CE2 TYR A 22 7.197 -7.519 4.952 1.00 24.13 C ATOM 296 CZ TYR A 22 6.491 -7.744 3.812 1.00 31.02 C ATOM 297 OH TYR A 22 5.378 -8.523 3.881 1.00 24.31 O ATOM 0 H TYR A 22 8.870 -3.762 1.799 1.00 72.51 H new ATOM 0 HA TYR A 22 9.439 -3.482 4.715 1.00 0.34 H new ATOM 0 HB2 TYR A 22 10.523 -5.468 2.649 1.00 45.13 H new ATOM 0 HB3 TYR A 22 10.700 -5.567 4.390 1.00 45.13 H new ATOM 0 HD1 TYR A 22 8.328 -5.975 1.588 1.00 32.02 H new ATOM 0 HD2 TYR A 22 8.954 -6.499 5.770 1.00 23.03 H new ATOM 0 HE1 TYR A 22 6.258 -7.427 1.723 1.00 31.12 H new ATOM 0 HE2 TYR A 22 6.881 -7.949 5.891 1.00 24.13 H new ATOM 0 HH TYR A 22 4.799 -8.203 4.604 1.00 24.31 H new ATOM 307 N LYS A 23 11.760 -2.658 4.381 1.00 12.02 N ATOM 308 CA LYS A 23 12.996 -1.919 4.189 1.00 11.44 C ATOM 309 C LYS A 23 14.183 -2.874 4.323 1.00 30.53 C ATOM 310 O LYS A 23 14.424 -3.424 5.397 1.00 1.11 O ATOM 311 CB LYS A 23 13.058 -0.723 5.142 1.00 25.12 C ATOM 312 CG LYS A 23 14.344 0.080 4.931 1.00 31.41 C ATOM 313 CD LYS A 23 14.596 1.029 6.104 1.00 51.52 C ATOM 314 CE LYS A 23 13.754 2.300 5.971 1.00 72.10 C ATOM 315 NZ LYS A 23 14.126 3.280 7.016 1.00 72.20 N ATOM 0 H LYS A 23 11.541 -2.878 5.353 1.00 12.02 H new ATOM 0 HA LYS A 23 13.037 -1.499 3.184 1.00 11.44 H new ATOM 0 HB2 LYS A 23 12.193 -0.080 4.981 1.00 25.12 H new ATOM 0 HB3 LYS A 23 13.008 -1.072 6.173 1.00 25.12 H new ATOM 0 HG2 LYS A 23 15.188 -0.601 4.821 1.00 31.41 H new ATOM 0 HG3 LYS A 23 14.273 0.651 4.005 1.00 31.41 H new ATOM 0 HD2 LYS A 23 14.357 0.526 7.041 1.00 51.52 H new ATOM 0 HD3 LYS A 23 15.653 1.291 6.144 1.00 51.52 H new ATOM 0 HE2 LYS A 23 13.901 2.739 4.984 1.00 72.10 H new ATOM 0 HE3 LYS A 23 12.696 2.053 6.056 1.00 72.10 H new ATOM 0 HZ1 LYS A 23 13.545 4.136 6.911 1.00 72.20 H new ATOM 0 HZ2 LYS A 23 13.964 2.864 7.955 1.00 72.20 H new ATOM 0 HZ3 LYS A 23 15.131 3.529 6.917 1.00 72.20 H new ATOM 328 N LEU A 24 14.893 -3.044 3.218 1.00 50.24 N ATOM 329 CA LEU A 24 16.049 -3.924 3.198 1.00 1.10 C ATOM 330 C LEU A 24 17.319 -3.096 3.406 1.00 54.33 C ATOM 331 O LEU A 24 17.637 -2.227 2.595 1.00 62.42 O ATOM 332 CB LEU A 24 16.064 -4.761 1.917 1.00 15.04 C ATOM 333 CG LEU A 24 17.348 -5.546 1.644 1.00 41.25 C ATOM 334 CD1 LEU A 24 18.318 -4.729 0.787 1.00 14.12 C ATOM 335 CD2 LEU A 24 17.993 -6.015 2.949 1.00 34.43 C ATOM 0 H LEU A 24 14.690 -2.587 2.329 1.00 50.24 H new ATOM 0 HA LEU A 24 15.996 -4.640 4.018 1.00 1.10 H new ATOM 0 HB2 LEU A 24 15.233 -5.465 1.957 1.00 15.04 H new ATOM 0 HB3 LEU A 24 15.880 -4.098 1.071 1.00 15.04 H new ATOM 0 HG LEU A 24 17.088 -6.439 1.075 1.00 41.25 H new ATOM 0 HD11 LEU A 24 19.223 -5.310 0.607 1.00 14.12 H new ATOM 0 HD12 LEU A 24 17.847 -4.487 -0.166 1.00 14.12 H new ATOM 0 HD13 LEU A 24 18.576 -3.807 1.308 1.00 14.12 H new ATOM 0 HD21 LEU A 24 18.904 -6.570 2.726 1.00 34.43 H new ATOM 0 HD22 LEU A 24 18.237 -5.150 3.565 1.00 34.43 H new ATOM 0 HD23 LEU A 24 17.298 -6.659 3.487 1.00 34.43 H new ATOM 347 N ILE A 25 18.009 -3.394 4.496 1.00 2.55 N ATOM 348 CA ILE A 25 19.237 -2.687 4.821 1.00 31.31 C ATOM 349 C ILE A 25 20.408 -3.672 4.797 1.00 11.33 C ATOM 350 O ILE A 25 20.376 -4.696 5.478 1.00 44.13 O ATOM 351 CB ILE A 25 19.090 -1.939 6.147 1.00 13.42 C ATOM 352 CG1 ILE A 25 17.937 -0.935 6.085 1.00 13.31 C ATOM 353 CG2 ILE A 25 20.407 -1.274 6.551 1.00 44.23 C ATOM 354 CD1 ILE A 25 17.305 -0.739 7.465 1.00 43.21 C ATOM 0 H ILE A 25 17.742 -4.115 5.166 1.00 2.55 H new ATOM 0 HA ILE A 25 19.446 -1.923 4.073 1.00 31.31 H new ATOM 0 HB ILE A 25 18.845 -2.665 6.923 1.00 13.42 H new ATOM 0 HG12 ILE A 25 18.302 0.021 5.709 1.00 13.31 H new ATOM 0 HG13 ILE A 25 17.182 -1.286 5.382 1.00 13.31 H new ATOM 0 HG21 ILE A 25 20.274 -0.749 7.497 1.00 44.23 H new ATOM 0 HG22 ILE A 25 21.179 -2.035 6.663 1.00 44.23 H new ATOM 0 HG23 ILE A 25 20.707 -0.563 5.781 1.00 44.23 H new ATOM 0 HD11 ILE A 25 16.488 -0.021 7.392 1.00 43.21 H new ATOM 0 HD12 ILE A 25 16.919 -1.692 7.827 1.00 43.21 H new ATOM 0 HD13 ILE A 25 18.057 -0.365 8.160 1.00 43.21 H new ATOM 366 N LEU A 26 21.414 -3.327 4.007 1.00 55.53 N ATOM 367 CA LEU A 26 22.593 -4.167 3.885 1.00 34.03 C ATOM 368 C LEU A 26 23.803 -3.425 4.455 1.00 23.34 C ATOM 369 O LEU A 26 24.256 -2.436 3.882 1.00 41.12 O ATOM 370 CB LEU A 26 22.778 -4.625 2.437 1.00 14.51 C ATOM 371 CG LEU A 26 21.494 -4.873 1.643 1.00 73.20 C ATOM 372 CD1 LEU A 26 21.007 -3.588 0.971 1.00 11.22 C ATOM 373 CD2 LEU A 26 21.683 -6.010 0.636 1.00 10.23 C ATOM 0 H LEU A 26 21.437 -2.476 3.445 1.00 55.53 H new ATOM 0 HA LEU A 26 22.473 -5.079 4.470 1.00 34.03 H new ATOM 0 HB2 LEU A 26 23.367 -3.873 1.912 1.00 14.51 H new ATOM 0 HB3 LEU A 26 23.363 -5.544 2.440 1.00 14.51 H new ATOM 0 HG LEU A 26 20.717 -5.186 2.340 1.00 73.20 H new ATOM 0 HD11 LEU A 26 20.093 -3.793 0.413 1.00 11.22 H new ATOM 0 HD12 LEU A 26 20.807 -2.833 1.731 1.00 11.22 H new ATOM 0 HD13 LEU A 26 21.774 -3.221 0.289 1.00 11.22 H new ATOM 0 HD21 LEU A 26 20.756 -6.166 0.085 1.00 10.23 H new ATOM 0 HD22 LEU A 26 22.480 -5.750 -0.061 1.00 10.23 H new ATOM 0 HD23 LEU A 26 21.948 -6.925 1.166 1.00 10.23 H new ATOM 385 N ASN A 27 24.293 -3.932 5.577 1.00 11.14 N ATOM 386 CA ASN A 27 25.442 -3.330 6.231 1.00 3.24 C ATOM 387 C ASN A 27 26.681 -4.190 5.971 1.00 55.13 C ATOM 388 O ASN A 27 26.875 -5.217 6.619 1.00 1.10 O ATOM 389 CB ASN A 27 25.234 -3.247 7.745 1.00 62.32 C ATOM 390 CG ASN A 27 24.742 -1.858 8.156 1.00 75.24 C ATOM 391 OD1 ASN A 27 25.325 -0.840 7.822 1.00 24.30 O ATOM 392 ND2 ASN A 27 23.637 -1.873 8.897 1.00 62.24 N ATOM 0 H ASN A 27 23.915 -4.753 6.050 1.00 11.14 H new ATOM 0 HA ASN A 27 25.570 -2.325 5.829 1.00 3.24 H new ATOM 0 HB2 ASN A 27 24.511 -4.000 8.058 1.00 62.32 H new ATOM 0 HB3 ASN A 27 26.170 -3.471 8.257 1.00 62.32 H new ATOM 0 HD21 ASN A 27 23.228 -0.996 9.221 1.00 62.24 H new ATOM 0 HD22 ASN A 27 23.199 -2.761 9.141 1.00 62.24 H new ATOM 399 N GLY A 28 27.486 -3.739 5.020 1.00 13.42 N ATOM 400 CA GLY A 28 28.700 -4.454 4.666 1.00 73.02 C ATOM 401 C GLY A 28 29.888 -3.496 4.554 1.00 73.34 C ATOM 402 O GLY A 28 29.722 -2.339 4.172 1.00 3.44 O ATOM 0 H GLY A 28 27.321 -2.887 4.484 1.00 13.42 H new ATOM 0 HA2 GLY A 28 28.911 -5.214 5.418 1.00 73.02 H new ATOM 0 HA3 GLY A 28 28.557 -4.974 3.719 1.00 73.02 H new ATOM 406 N LYS A 29 31.059 -4.015 4.893 1.00 52.34 N ATOM 407 CA LYS A 29 32.274 -3.220 4.835 1.00 70.13 C ATOM 408 C LYS A 29 32.540 -2.808 3.386 1.00 62.05 C ATOM 409 O LYS A 29 33.005 -1.699 3.127 1.00 0.12 O ATOM 410 CB LYS A 29 33.437 -3.972 5.484 1.00 65.42 C ATOM 411 CG LYS A 29 33.033 -4.537 6.847 1.00 73.41 C ATOM 412 CD LYS A 29 32.375 -3.461 7.713 1.00 73.50 C ATOM 413 CE LYS A 29 30.852 -3.493 7.564 1.00 63.01 C ATOM 414 NZ LYS A 29 30.199 -3.157 8.849 1.00 73.14 N ATOM 0 H LYS A 29 31.192 -4.976 5.209 1.00 52.34 H new ATOM 0 HA LYS A 29 32.157 -2.302 5.411 1.00 70.13 H new ATOM 0 HB2 LYS A 29 33.759 -4.783 4.831 1.00 65.42 H new ATOM 0 HB3 LYS A 29 34.288 -3.301 5.602 1.00 65.42 H new ATOM 0 HG2 LYS A 29 32.344 -5.370 6.710 1.00 73.41 H new ATOM 0 HG3 LYS A 29 33.912 -4.931 7.356 1.00 73.41 H new ATOM 0 HD2 LYS A 29 32.645 -3.614 8.758 1.00 73.50 H new ATOM 0 HD3 LYS A 29 32.751 -2.479 7.427 1.00 73.50 H new ATOM 0 HE2 LYS A 29 30.541 -2.786 6.795 1.00 63.01 H new ATOM 0 HE3 LYS A 29 30.533 -4.482 7.235 1.00 63.01 H new ATOM 0 HZ1 LYS A 29 29.166 -3.183 8.731 1.00 73.14 H new ATOM 0 HZ2 LYS A 29 30.482 -3.847 9.573 1.00 73.14 H new ATOM 0 HZ3 LYS A 29 30.489 -2.204 9.147 1.00 73.14 H new ATOM 427 N THR A 30 32.234 -3.723 2.478 1.00 70.31 N ATOM 428 CA THR A 30 32.434 -3.469 1.061 1.00 3.03 C ATOM 429 C THR A 30 31.104 -3.127 0.388 1.00 71.35 C ATOM 430 O THR A 30 31.081 -2.469 -0.651 1.00 61.03 O ATOM 431 CB THR A 30 33.126 -4.691 0.455 1.00 64.22 C ATOM 432 OG1 THR A 30 32.084 -5.655 0.332 1.00 40.03 O ATOM 433 CG2 THR A 30 34.121 -5.340 1.420 1.00 43.44 C ATOM 0 H THR A 30 31.849 -4.642 2.696 1.00 70.31 H new ATOM 0 HA THR A 30 33.075 -2.602 0.901 1.00 3.03 H new ATOM 0 HB THR A 30 33.644 -4.398 -0.458 1.00 64.22 H new ATOM 0 HG1 THR A 30 32.445 -6.480 -0.055 1.00 40.03 H new ATOM 0 HG21 THR A 30 34.584 -6.202 0.940 1.00 43.44 H new ATOM 0 HG22 THR A 30 34.892 -4.617 1.689 1.00 43.44 H new ATOM 0 HG23 THR A 30 33.597 -5.663 2.320 1.00 43.44 H new ATOM 441 N LEU A 31 30.028 -3.590 1.006 1.00 32.15 N ATOM 442 CA LEU A 31 28.697 -3.342 0.480 1.00 54.24 C ATOM 443 C LEU A 31 27.797 -2.823 1.603 1.00 51.51 C ATOM 444 O LEU A 31 27.363 -3.590 2.460 1.00 34.22 O ATOM 445 CB LEU A 31 28.153 -4.592 -0.215 1.00 65.11 C ATOM 446 CG LEU A 31 27.318 -4.351 -1.474 1.00 45.43 C ATOM 447 CD1 LEU A 31 26.577 -3.015 -1.393 1.00 4.33 C ATOM 448 CD2 LEU A 31 28.183 -4.451 -2.733 1.00 13.22 C ATOM 0 H LEU A 31 30.051 -4.136 1.867 1.00 32.15 H new ATOM 0 HA LEU A 31 28.730 -2.568 -0.287 1.00 54.24 H new ATOM 0 HB2 LEU A 31 28.995 -5.232 -0.479 1.00 65.11 H new ATOM 0 HB3 LEU A 31 27.544 -5.145 0.500 1.00 65.11 H new ATOM 0 HG LEU A 31 26.563 -5.135 -1.538 1.00 45.43 H new ATOM 0 HD11 LEU A 31 25.991 -2.868 -2.300 1.00 4.33 H new ATOM 0 HD12 LEU A 31 25.913 -3.019 -0.529 1.00 4.33 H new ATOM 0 HD13 LEU A 31 27.299 -2.204 -1.292 1.00 4.33 H new ATOM 0 HD21 LEU A 31 27.565 -4.276 -3.614 1.00 13.22 H new ATOM 0 HD22 LEU A 31 28.975 -3.703 -2.691 1.00 13.22 H new ATOM 0 HD23 LEU A 31 28.626 -5.445 -2.792 1.00 13.22 H new ATOM 460 N LYS A 32 27.544 -1.523 1.562 1.00 52.31 N ATOM 461 CA LYS A 32 26.704 -0.892 2.566 1.00 54.23 C ATOM 462 C LYS A 32 25.696 0.030 1.875 1.00 5.13 C ATOM 463 O LYS A 32 26.082 0.927 1.127 1.00 10.12 O ATOM 464 CB LYS A 32 27.563 -0.187 3.617 1.00 13.41 C ATOM 465 CG LYS A 32 28.634 0.683 2.956 1.00 12.52 C ATOM 466 CD LYS A 32 29.375 1.526 3.996 1.00 14.15 C ATOM 467 CE LYS A 32 30.883 1.281 3.927 1.00 2.11 C ATOM 468 NZ LYS A 32 31.281 0.225 4.885 1.00 44.32 N ATOM 0 H LYS A 32 27.906 -0.889 0.849 1.00 52.31 H new ATOM 0 HA LYS A 32 26.130 -1.643 3.109 1.00 54.23 H new ATOM 0 HB2 LYS A 32 26.930 0.431 4.254 1.00 13.41 H new ATOM 0 HB3 LYS A 32 28.037 -0.928 4.261 1.00 13.41 H new ATOM 0 HG2 LYS A 32 29.344 0.050 2.423 1.00 12.52 H new ATOM 0 HG3 LYS A 32 28.171 1.336 2.216 1.00 12.52 H new ATOM 0 HD2 LYS A 32 29.167 2.583 3.828 1.00 14.15 H new ATOM 0 HD3 LYS A 32 29.009 1.283 4.994 1.00 14.15 H new ATOM 0 HE2 LYS A 32 31.164 0.987 2.916 1.00 2.11 H new ATOM 0 HE3 LYS A 32 31.418 2.204 4.151 1.00 2.11 H new ATOM 0 HZ1 LYS A 32 32.299 0.035 4.789 1.00 44.32 H new ATOM 0 HZ2 LYS A 32 31.077 0.541 5.855 1.00 44.32 H new ATOM 0 HZ3 LYS A 32 30.747 -0.645 4.685 1.00 44.32 H new ATOM 481 N GLY A 33 24.425 -0.223 2.151 1.00 5.31 N ATOM 482 CA GLY A 33 23.360 0.573 1.566 1.00 40.41 C ATOM 483 C GLY A 33 21.994 0.142 2.104 1.00 62.54 C ATOM 484 O GLY A 33 21.901 -0.805 2.883 1.00 22.14 O ATOM 0 H GLY A 33 24.109 -0.968 2.772 1.00 5.31 H new ATOM 0 HA2 GLY A 33 23.526 1.627 1.787 1.00 40.41 H new ATOM 0 HA3 GLY A 33 23.377 0.468 0.481 1.00 40.41 H new ATOM 488 N GLU A 34 20.968 0.856 1.665 1.00 4.44 N ATOM 489 CA GLU A 34 19.612 0.559 2.093 1.00 71.01 C ATOM 490 C GLU A 34 18.671 0.522 0.887 1.00 42.53 C ATOM 491 O GLU A 34 19.050 0.923 -0.213 1.00 1.33 O ATOM 492 CB GLU A 34 19.130 1.572 3.133 1.00 3.13 C ATOM 493 CG GLU A 34 18.622 2.849 2.461 1.00 74.21 C ATOM 494 CD GLU A 34 19.043 4.090 3.251 1.00 61.34 C ATOM 495 OE1 GLU A 34 20.233 4.439 3.267 1.00 13.52 O ATOM 496 OE2 GLU A 34 18.084 4.699 3.861 1.00 1.04 O ATOM 0 H GLU A 34 21.049 1.640 1.017 1.00 4.44 H new ATOM 0 HA GLU A 34 19.608 -0.424 2.563 1.00 71.01 H new ATOM 0 HB2 GLU A 34 18.334 1.131 3.733 1.00 3.13 H new ATOM 0 HB3 GLU A 34 19.945 1.815 3.814 1.00 3.13 H new ATOM 0 HG2 GLU A 34 19.013 2.910 1.446 1.00 74.21 H new ATOM 0 HG3 GLU A 34 17.535 2.815 2.382 1.00 74.21 H new ATOM 504 N THR A 35 17.463 0.038 1.133 1.00 10.14 N ATOM 505 CA THR A 35 16.465 -0.056 0.081 1.00 2.12 C ATOM 506 C THR A 35 15.148 -0.594 0.642 1.00 14.04 C ATOM 507 O THR A 35 15.066 -0.943 1.819 1.00 2.31 O ATOM 508 CB THR A 35 17.044 -0.917 -1.043 1.00 73.32 C ATOM 509 OG1 THR A 35 15.910 -1.264 -1.833 1.00 74.22 O ATOM 510 CG2 THR A 35 17.572 -2.262 -0.538 1.00 54.35 C ATOM 0 H THR A 35 17.152 -0.294 2.046 1.00 10.14 H new ATOM 0 HA THR A 35 16.229 0.926 -0.330 1.00 2.12 H new ATOM 0 HB THR A 35 17.849 -0.374 -1.538 1.00 73.32 H new ATOM 0 HG1 THR A 35 15.708 -0.533 -2.454 1.00 74.22 H new ATOM 0 HG21 THR A 35 17.972 -2.834 -1.376 1.00 54.35 H new ATOM 0 HG22 THR A 35 18.361 -2.091 0.194 1.00 54.35 H new ATOM 0 HG23 THR A 35 16.760 -2.820 -0.072 1.00 54.35 H new ATOM 518 N THR A 36 14.148 -0.645 -0.226 1.00 43.51 N ATOM 519 CA THR A 36 12.838 -1.134 0.168 1.00 63.20 C ATOM 520 C THR A 36 12.181 -1.889 -0.989 1.00 53.32 C ATOM 521 O THR A 36 12.500 -1.649 -2.153 1.00 1.24 O ATOM 522 CB THR A 36 12.016 0.058 0.661 1.00 44.42 C ATOM 523 OG1 THR A 36 11.629 0.731 -0.534 1.00 63.14 O ATOM 524 CG2 THR A 36 12.867 1.087 1.408 1.00 2.13 C ATOM 0 H THR A 36 14.219 -0.355 -1.201 1.00 43.51 H new ATOM 0 HA THR A 36 12.913 -1.854 0.983 1.00 63.20 H new ATOM 0 HB THR A 36 11.218 -0.297 1.314 1.00 44.42 H new ATOM 0 HG1 THR A 36 11.090 1.517 -0.307 1.00 63.14 H new ATOM 0 HG21 THR A 36 12.235 1.912 1.736 1.00 2.13 H new ATOM 0 HG22 THR A 36 13.329 0.616 2.276 1.00 2.13 H new ATOM 0 HG23 THR A 36 13.644 1.467 0.745 1.00 2.13 H new ATOM 532 N THR A 37 11.274 -2.785 -0.630 1.00 22.44 N ATOM 533 CA THR A 37 10.569 -3.577 -1.623 1.00 52.44 C ATOM 534 C THR A 37 9.140 -3.867 -1.158 1.00 44.45 C ATOM 535 O THR A 37 8.875 -3.929 0.041 1.00 53.31 O ATOM 536 CB THR A 37 11.389 -4.840 -1.891 1.00 30.21 C ATOM 537 OG1 THR A 37 10.637 -5.539 -2.879 1.00 64.23 O ATOM 538 CG2 THR A 37 11.405 -5.792 -0.693 1.00 65.11 C ATOM 0 H THR A 37 11.011 -2.980 0.336 1.00 22.44 H new ATOM 0 HA THR A 37 10.468 -3.033 -2.562 1.00 52.44 H new ATOM 0 HB THR A 37 12.411 -4.562 -2.148 1.00 30.21 H new ATOM 0 HG1 THR A 37 10.902 -6.482 -2.885 1.00 64.23 H new ATOM 0 HG21 THR A 37 12.000 -6.672 -0.936 1.00 65.11 H new ATOM 0 HG22 THR A 37 11.840 -5.286 0.168 1.00 65.11 H new ATOM 0 HG23 THR A 37 10.386 -6.097 -0.457 1.00 65.11 H new ATOM 546 N CYS A 38 8.258 -4.036 -2.132 1.00 62.33 N ATOM 547 CA CYS A 38 6.863 -4.318 -1.838 1.00 25.21 C ATOM 548 C CYS A 38 6.559 -5.751 -2.279 1.00 64.24 C ATOM 549 O CYS A 38 6.936 -6.159 -3.377 1.00 74.31 O ATOM 550 CB CYS A 38 5.929 -3.306 -2.503 1.00 41.41 C ATOM 551 SG CYS A 38 5.927 -1.644 -1.736 1.00 33.21 S ATOM 0 H CYS A 38 8.482 -3.983 -3.126 1.00 62.33 H new ATOM 0 HA CYS A 38 6.689 -4.224 -0.766 1.00 25.21 H new ATOM 0 HB2 CYS A 38 6.211 -3.207 -3.551 1.00 41.41 H new ATOM 0 HB3 CYS A 38 4.914 -3.702 -2.482 1.00 41.41 H new ATOM 556 N ALA A 39 5.881 -6.476 -1.401 1.00 44.35 N ATOM 557 CA ALA A 39 5.523 -7.854 -1.687 1.00 74.50 C ATOM 558 C ALA A 39 4.168 -8.167 -1.049 1.00 15.20 C ATOM 559 O ALA A 39 3.851 -7.659 0.026 1.00 44.44 O ATOM 560 CB ALA A 39 6.630 -8.784 -1.188 1.00 23.31 C ATOM 0 H ALA A 39 5.570 -6.134 -0.491 1.00 44.35 H new ATOM 0 HA ALA A 39 5.426 -8.010 -2.761 1.00 74.50 H new ATOM 0 HB1 ALA A 39 6.361 -9.818 -1.403 1.00 23.31 H new ATOM 0 HB2 ALA A 39 7.565 -8.540 -1.692 1.00 23.31 H new ATOM 0 HB3 ALA A 39 6.754 -8.657 -0.113 1.00 23.31 H new ATOM 566 N VAL A 40 3.403 -9.001 -1.738 1.00 63.40 N ATOM 567 CA VAL A 40 2.089 -9.388 -1.252 1.00 45.41 C ATOM 568 C VAL A 40 2.247 -10.247 0.004 1.00 63.45 C ATOM 569 O VAL A 40 1.366 -10.267 0.862 1.00 45.41 O ATOM 570 CB VAL A 40 1.306 -10.090 -2.363 1.00 63.11 C ATOM 571 CG1 VAL A 40 0.762 -9.079 -3.374 1.00 1.31 C ATOM 572 CG2 VAL A 40 2.167 -11.149 -3.055 1.00 51.35 C ATOM 0 H VAL A 40 3.668 -9.420 -2.629 1.00 63.40 H new ATOM 0 HA VAL A 40 1.511 -8.508 -0.972 1.00 45.41 H new ATOM 0 HB VAL A 40 0.456 -10.596 -1.905 1.00 63.11 H new ATOM 0 HG11 VAL A 40 0.210 -9.605 -4.153 1.00 1.31 H new ATOM 0 HG12 VAL A 40 0.098 -8.379 -2.867 1.00 1.31 H new ATOM 0 HG13 VAL A 40 1.591 -8.532 -3.823 1.00 1.31 H new ATOM 0 HG21 VAL A 40 1.587 -11.633 -3.841 1.00 51.35 H new ATOM 0 HG22 VAL A 40 3.045 -10.675 -3.493 1.00 51.35 H new ATOM 0 HG23 VAL A 40 2.483 -11.895 -2.325 1.00 51.35 H new ATOM 582 N ASP A 41 3.376 -10.938 0.071 1.00 1.21 N ATOM 583 CA ASP A 41 3.661 -11.797 1.208 1.00 73.55 C ATOM 584 C ASP A 41 5.130 -11.642 1.604 1.00 43.41 C ATOM 585 O ASP A 41 5.995 -11.479 0.744 1.00 31.42 O ATOM 586 CB ASP A 41 3.418 -13.268 0.860 1.00 0.44 C ATOM 587 CG ASP A 41 1.969 -13.621 0.520 1.00 51.24 C ATOM 588 OD1 ASP A 41 1.511 -13.416 -0.615 1.00 25.14 O ATOM 589 OD2 ASP A 41 1.290 -14.134 1.489 1.00 24.13 O ATOM 0 H ASP A 41 4.104 -10.920 -0.643 1.00 1.21 H new ATOM 0 HA ASP A 41 3.002 -11.505 2.025 1.00 73.55 H new ATOM 0 HB2 ASP A 41 4.049 -13.534 0.012 1.00 0.44 H new ATOM 0 HB3 ASP A 41 3.738 -13.883 1.701 1.00 0.44 H new ATOM 595 N ALA A 42 5.368 -11.696 2.906 1.00 33.52 N ATOM 596 CA ALA A 42 6.718 -11.563 3.427 1.00 73.40 C ATOM 597 C ALA A 42 7.603 -12.655 2.822 1.00 41.43 C ATOM 598 O ALA A 42 8.827 -12.531 2.812 1.00 71.53 O ATOM 599 CB ALA A 42 6.683 -11.622 4.955 1.00 4.45 C ATOM 0 H ALA A 42 4.648 -11.830 3.616 1.00 33.52 H new ATOM 0 HA ALA A 42 7.145 -10.600 3.147 1.00 73.40 H new ATOM 0 HB1 ALA A 42 7.695 -11.522 5.346 1.00 4.45 H new ATOM 0 HB2 ALA A 42 6.065 -10.809 5.336 1.00 4.45 H new ATOM 0 HB3 ALA A 42 6.264 -12.577 5.273 1.00 4.45 H new ATOM 605 N ALA A 43 6.950 -13.698 2.332 1.00 52.13 N ATOM 606 CA ALA A 43 7.662 -14.810 1.726 1.00 63.00 C ATOM 607 C ALA A 43 8.324 -14.340 0.429 1.00 74.53 C ATOM 608 O ALA A 43 9.447 -14.736 0.122 1.00 3.21 O ATOM 609 CB ALA A 43 6.695 -15.974 1.499 1.00 0.44 C ATOM 0 H ALA A 43 5.935 -13.797 2.342 1.00 52.13 H new ATOM 0 HA ALA A 43 8.451 -15.167 2.388 1.00 63.00 H new ATOM 0 HB1 ALA A 43 7.230 -16.808 1.044 1.00 0.44 H new ATOM 0 HB2 ALA A 43 6.275 -16.290 2.454 1.00 0.44 H new ATOM 0 HB3 ALA A 43 5.890 -15.655 0.837 1.00 0.44 H new ATOM 615 N THR A 44 7.598 -13.504 -0.299 1.00 2.45 N ATOM 616 CA THR A 44 8.100 -12.976 -1.556 1.00 4.02 C ATOM 617 C THR A 44 9.195 -11.938 -1.299 1.00 70.34 C ATOM 618 O THR A 44 10.225 -11.938 -1.972 1.00 53.32 O ATOM 619 CB THR A 44 6.912 -12.423 -2.345 1.00 31.21 C ATOM 620 OG1 THR A 44 6.198 -13.585 -2.757 1.00 33.53 O ATOM 621 CG2 THR A 44 7.337 -11.763 -3.658 1.00 0.51 C ATOM 0 H THR A 44 6.666 -13.179 -0.042 1.00 2.45 H new ATOM 0 HA THR A 44 8.570 -13.757 -2.154 1.00 4.02 H new ATOM 0 HB THR A 44 6.375 -11.699 -1.732 1.00 31.21 H new ATOM 0 HG1 THR A 44 5.410 -13.318 -3.274 1.00 33.53 H new ATOM 0 HG21 THR A 44 6.456 -11.388 -4.178 1.00 0.51 H new ATOM 0 HG22 THR A 44 8.014 -10.935 -3.447 1.00 0.51 H new ATOM 0 HG23 THR A 44 7.845 -12.495 -4.286 1.00 0.51 H new ATOM 629 N ALA A 45 8.935 -11.079 -0.325 1.00 30.53 N ATOM 630 CA ALA A 45 9.885 -10.039 0.029 1.00 3.31 C ATOM 631 C ALA A 45 11.152 -10.682 0.596 1.00 22.31 C ATOM 632 O ALA A 45 12.259 -10.210 0.343 1.00 44.10 O ATOM 633 CB ALA A 45 9.234 -9.066 1.014 1.00 22.15 C ATOM 0 H ALA A 45 8.079 -11.082 0.230 1.00 30.53 H new ATOM 0 HA ALA A 45 10.173 -9.466 -0.853 1.00 3.31 H new ATOM 0 HB1 ALA A 45 9.947 -8.286 1.280 1.00 22.15 H new ATOM 0 HB2 ALA A 45 8.356 -8.614 0.552 1.00 22.15 H new ATOM 0 HB3 ALA A 45 8.934 -9.605 1.913 1.00 22.15 H new ATOM 639 N GLU A 46 10.947 -11.751 1.353 1.00 42.55 N ATOM 640 CA GLU A 46 12.059 -12.464 1.958 1.00 43.34 C ATOM 641 C GLU A 46 13.027 -12.952 0.878 1.00 43.21 C ATOM 642 O GLU A 46 14.238 -12.768 0.996 1.00 72.43 O ATOM 643 CB GLU A 46 11.562 -13.629 2.815 1.00 12.12 C ATOM 644 CG GLU A 46 12.733 -14.454 3.353 1.00 42.54 C ATOM 645 CD GLU A 46 12.296 -15.323 4.533 1.00 74.21 C ATOM 646 OE1 GLU A 46 12.411 -14.898 5.692 1.00 32.42 O ATOM 647 OE2 GLU A 46 11.820 -16.479 4.212 1.00 2.30 O ATOM 0 H GLU A 46 10.027 -12.140 1.561 1.00 42.55 H new ATOM 0 HA GLU A 46 12.593 -11.776 2.613 1.00 43.34 H new ATOM 0 HB2 GLU A 46 10.970 -13.247 3.646 1.00 12.12 H new ATOM 0 HB3 GLU A 46 10.905 -14.266 2.223 1.00 12.12 H new ATOM 0 HG2 GLU A 46 13.132 -15.086 2.560 1.00 42.54 H new ATOM 0 HG3 GLU A 46 13.538 -13.789 3.665 1.00 42.54 H new ATOM 655 N LYS A 47 12.457 -13.564 -0.150 1.00 5.22 N ATOM 656 CA LYS A 47 13.255 -14.080 -1.250 1.00 11.54 C ATOM 657 C LYS A 47 14.023 -12.928 -1.901 1.00 1.21 C ATOM 658 O LYS A 47 15.127 -13.122 -2.409 1.00 14.54 O ATOM 659 CB LYS A 47 12.376 -14.863 -2.227 1.00 25.21 C ATOM 660 CG LYS A 47 11.922 -13.976 -3.388 1.00 64.42 C ATOM 661 CD LYS A 47 10.569 -14.438 -3.934 1.00 4.43 C ATOM 662 CE LYS A 47 10.751 -15.439 -5.076 1.00 64.01 C ATOM 663 NZ LYS A 47 9.464 -16.093 -5.402 1.00 3.00 N ATOM 0 H LYS A 47 11.453 -13.714 -0.244 1.00 5.22 H new ATOM 0 HA LYS A 47 13.996 -14.791 -0.884 1.00 11.54 H new ATOM 0 HB2 LYS A 47 12.929 -15.719 -2.613 1.00 25.21 H new ATOM 0 HB3 LYS A 47 11.505 -15.256 -1.703 1.00 25.21 H new ATOM 0 HG2 LYS A 47 11.849 -12.941 -3.053 1.00 64.42 H new ATOM 0 HG3 LYS A 47 12.667 -14.002 -4.183 1.00 64.42 H new ATOM 0 HD2 LYS A 47 9.987 -14.896 -3.134 1.00 4.43 H new ATOM 0 HD3 LYS A 47 10.002 -13.577 -4.288 1.00 4.43 H new ATOM 0 HE2 LYS A 47 11.139 -14.928 -5.957 1.00 64.01 H new ATOM 0 HE3 LYS A 47 11.487 -16.192 -4.794 1.00 64.01 H new ATOM 0 HZ1 LYS A 47 9.605 -16.769 -6.179 1.00 3.00 H new ATOM 0 HZ2 LYS A 47 9.109 -16.597 -4.565 1.00 3.00 H new ATOM 0 HZ3 LYS A 47 8.772 -15.373 -5.692 1.00 3.00 H new ATOM 676 N VAL A 48 13.409 -11.754 -1.865 1.00 62.20 N ATOM 677 CA VAL A 48 14.022 -10.571 -2.445 1.00 75.25 C ATOM 678 C VAL A 48 15.152 -10.088 -1.534 1.00 73.03 C ATOM 679 O VAL A 48 16.207 -9.675 -2.013 1.00 74.14 O ATOM 680 CB VAL A 48 12.957 -9.501 -2.697 1.00 23.00 C ATOM 681 CG1 VAL A 48 13.584 -8.230 -3.275 1.00 34.34 C ATOM 682 CG2 VAL A 48 11.851 -10.032 -3.611 1.00 43.12 C ATOM 0 H VAL A 48 12.494 -11.597 -1.443 1.00 62.20 H new ATOM 0 HA VAL A 48 14.464 -10.805 -3.413 1.00 75.25 H new ATOM 0 HB VAL A 48 12.505 -9.246 -1.739 1.00 23.00 H new ATOM 0 HG11 VAL A 48 12.806 -7.485 -3.445 1.00 34.34 H new ATOM 0 HG12 VAL A 48 14.318 -7.834 -2.573 1.00 34.34 H new ATOM 0 HG13 VAL A 48 14.075 -8.464 -4.220 1.00 34.34 H new ATOM 0 HG21 VAL A 48 11.108 -9.252 -3.774 1.00 43.12 H new ATOM 0 HG22 VAL A 48 12.281 -10.329 -4.568 1.00 43.12 H new ATOM 0 HG23 VAL A 48 11.376 -10.894 -3.144 1.00 43.12 H new ATOM 692 N PHE A 49 14.892 -10.156 -0.237 1.00 4.42 N ATOM 693 CA PHE A 49 15.875 -9.730 0.746 1.00 73.22 C ATOM 694 C PHE A 49 17.099 -10.647 0.730 1.00 63.34 C ATOM 695 O PHE A 49 18.232 -10.178 0.828 1.00 61.02 O ATOM 696 CB PHE A 49 15.203 -9.820 2.118 1.00 61.15 C ATOM 697 CG PHE A 49 16.167 -9.657 3.294 1.00 3.03 C ATOM 698 CD1 PHE A 49 17.338 -8.985 3.126 1.00 33.14 C ATOM 699 CD2 PHE A 49 15.854 -10.184 4.508 1.00 12.13 C ATOM 700 CE1 PHE A 49 18.233 -8.834 4.219 1.00 55.44 C ATOM 701 CE2 PHE A 49 16.749 -10.032 5.600 1.00 34.45 C ATOM 702 CZ PHE A 49 17.919 -9.360 5.433 1.00 70.54 C ATOM 0 H PHE A 49 14.016 -10.499 0.156 1.00 4.42 H new ATOM 0 HA PHE A 49 16.210 -8.717 0.522 1.00 73.22 H new ATOM 0 HB2 PHE A 49 14.432 -9.053 2.185 1.00 61.15 H new ATOM 0 HB3 PHE A 49 14.702 -10.784 2.203 1.00 61.15 H new ATOM 0 HD1 PHE A 49 17.587 -8.566 2.162 1.00 33.14 H new ATOM 0 HD2 PHE A 49 14.925 -10.718 4.642 1.00 12.13 H new ATOM 0 HE1 PHE A 49 19.163 -8.301 4.086 1.00 55.44 H new ATOM 0 HE2 PHE A 49 16.500 -10.451 6.564 1.00 34.45 H new ATOM 0 HZ PHE A 49 18.599 -9.244 6.264 1.00 70.54 H new ATOM 712 N LYS A 50 16.830 -11.939 0.605 1.00 42.41 N ATOM 713 CA LYS A 50 17.896 -12.926 0.575 1.00 41.35 C ATOM 714 C LYS A 50 18.674 -12.790 -0.736 1.00 11.10 C ATOM 715 O LYS A 50 19.883 -13.012 -0.770 1.00 62.01 O ATOM 716 CB LYS A 50 17.334 -14.329 0.814 1.00 41.54 C ATOM 717 CG LYS A 50 16.327 -14.327 1.965 1.00 12.33 C ATOM 718 CD LYS A 50 16.826 -15.182 3.131 1.00 33.44 C ATOM 719 CE LYS A 50 15.848 -15.130 4.307 1.00 22.32 C ATOM 720 NZ LYS A 50 16.510 -15.583 5.552 1.00 53.54 N ATOM 0 H LYS A 50 15.889 -12.325 0.523 1.00 42.41 H new ATOM 0 HA LYS A 50 18.603 -12.749 1.386 1.00 41.35 H new ATOM 0 HB2 LYS A 50 16.853 -14.692 -0.094 1.00 41.54 H new ATOM 0 HB3 LYS A 50 18.148 -15.017 1.040 1.00 41.54 H new ATOM 0 HG2 LYS A 50 16.159 -13.305 2.304 1.00 12.33 H new ATOM 0 HG3 LYS A 50 15.368 -14.708 1.614 1.00 12.33 H new ATOM 0 HD2 LYS A 50 16.951 -16.214 2.803 1.00 33.44 H new ATOM 0 HD3 LYS A 50 17.806 -14.829 3.452 1.00 33.44 H new ATOM 0 HE2 LYS A 50 15.477 -14.113 4.435 1.00 22.32 H new ATOM 0 HE3 LYS A 50 14.984 -15.760 4.097 1.00 22.32 H new ATOM 0 HZ1 LYS A 50 15.833 -15.542 6.340 1.00 53.54 H new ATOM 0 HZ2 LYS A 50 16.843 -16.561 5.432 1.00 53.54 H new ATOM 0 HZ3 LYS A 50 17.320 -14.965 5.759 1.00 53.54 H new ATOM 733 N GLN A 51 17.948 -12.426 -1.783 1.00 10.32 N ATOM 734 CA GLN A 51 18.555 -12.258 -3.092 1.00 53.43 C ATOM 735 C GLN A 51 19.440 -11.010 -3.111 1.00 52.31 C ATOM 736 O GLN A 51 20.566 -11.051 -3.604 1.00 1.42 O ATOM 737 CB GLN A 51 17.488 -12.189 -4.186 1.00 75.34 C ATOM 738 CG GLN A 51 18.093 -12.478 -5.562 1.00 33.54 C ATOM 739 CD GLN A 51 19.256 -11.530 -5.859 1.00 60.10 C ATOM 740 OE1 GLN A 51 18.977 -10.248 -5.644 1.00 75.11 O flip ATOM 741 NE2 GLN A 51 20.336 -11.936 -6.257 1.00 51.45 N flip ATOM 0 H GLN A 51 16.945 -12.243 -1.751 1.00 10.32 H new ATOM 0 HA GLN A 51 19.181 -13.127 -3.294 1.00 53.43 H new ATOM 0 HB2 GLN A 51 16.698 -12.909 -3.974 1.00 75.34 H new ATOM 0 HB3 GLN A 51 17.027 -11.201 -4.188 1.00 75.34 H new ATOM 0 HG2 GLN A 51 18.441 -13.510 -5.601 1.00 33.54 H new ATOM 0 HG3 GLN A 51 17.327 -12.371 -6.330 1.00 33.54 H new ATOM 0 HE21 GLN A 51 20.484 -12.935 -6.401 1.00 51.45 H new ATOM 0 HE22 GLN A 51 21.091 -11.276 -6.445 1.00 51.45 H new ATOM 750 N TYR A 52 18.897 -9.930 -2.568 1.00 52.14 N ATOM 751 CA TYR A 52 19.623 -8.672 -2.517 1.00 21.54 C ATOM 752 C TYR A 52 20.945 -8.833 -1.763 1.00 32.32 C ATOM 753 O TYR A 52 22.002 -8.460 -2.269 1.00 53.31 O ATOM 754 CB TYR A 52 18.727 -7.699 -1.748 1.00 72.24 C ATOM 755 CG TYR A 52 18.605 -6.320 -2.399 1.00 12.10 C ATOM 756 CD1 TYR A 52 17.733 -6.128 -3.452 1.00 24.12 C ATOM 757 CD2 TYR A 52 19.366 -5.267 -1.933 1.00 62.20 C ATOM 758 CE1 TYR A 52 17.619 -4.830 -4.064 1.00 54.12 C ATOM 759 CE2 TYR A 52 19.251 -3.969 -2.545 1.00 44.04 C ATOM 760 CZ TYR A 52 18.383 -3.814 -3.581 1.00 23.42 C ATOM 761 OH TYR A 52 18.275 -2.588 -4.159 1.00 71.31 O ATOM 0 H TYR A 52 17.963 -9.900 -2.160 1.00 52.14 H new ATOM 0 HA TYR A 52 19.855 -8.321 -3.523 1.00 21.54 H new ATOM 0 HB2 TYR A 52 17.732 -8.134 -1.653 1.00 72.24 H new ATOM 0 HB3 TYR A 52 19.120 -7.580 -0.738 1.00 72.24 H new ATOM 0 HD1 TYR A 52 17.137 -6.951 -3.816 1.00 24.12 H new ATOM 0 HD2 TYR A 52 20.048 -5.417 -1.109 1.00 62.20 H new ATOM 0 HE1 TYR A 52 16.941 -4.667 -4.889 1.00 54.12 H new ATOM 0 HE2 TYR A 52 19.841 -3.137 -2.190 1.00 44.04 H new ATOM 0 HH TYR A 52 18.879 -1.960 -3.710 1.00 71.31 H new ATOM 771 N ALA A 53 20.842 -9.390 -0.565 1.00 1.22 N ATOM 772 CA ALA A 53 22.016 -9.605 0.264 1.00 42.32 C ATOM 773 C ALA A 53 23.010 -10.493 -0.488 1.00 12.13 C ATOM 774 O ALA A 53 24.221 -10.325 -0.356 1.00 1.12 O ATOM 775 CB ALA A 53 21.592 -10.209 1.604 1.00 51.21 C ATOM 0 H ALA A 53 19.964 -9.699 -0.149 1.00 1.22 H new ATOM 0 HA ALA A 53 22.514 -8.659 0.477 1.00 42.32 H new ATOM 0 HB1 ALA A 53 22.473 -10.370 2.225 1.00 51.21 H new ATOM 0 HB2 ALA A 53 20.910 -9.527 2.111 1.00 51.21 H new ATOM 0 HB3 ALA A 53 21.091 -11.161 1.431 1.00 51.21 H new ATOM 781 N ASN A 54 22.460 -11.419 -1.260 1.00 3.04 N ATOM 782 CA ASN A 54 23.283 -12.334 -2.032 1.00 42.03 C ATOM 783 C ASN A 54 23.988 -11.561 -3.149 1.00 11.45 C ATOM 784 O ASN A 54 25.167 -11.786 -3.416 1.00 60.42 O ATOM 785 CB ASN A 54 22.432 -13.428 -2.680 1.00 14.33 C ATOM 786 CG ASN A 54 22.298 -14.639 -1.754 1.00 45.14 C ATOM 787 OD1 ASN A 54 22.959 -14.749 -0.735 1.00 21.14 O ATOM 788 ND2 ASN A 54 21.410 -15.539 -2.166 1.00 14.34 N ATOM 0 H ASN A 54 21.455 -11.555 -1.367 1.00 3.04 H new ATOM 0 HA ASN A 54 24.004 -12.791 -1.355 1.00 42.03 H new ATOM 0 HB2 ASN A 54 21.443 -13.034 -2.914 1.00 14.33 H new ATOM 0 HB3 ASN A 54 22.884 -13.735 -3.623 1.00 14.33 H new ATOM 0 HD21 ASN A 54 21.249 -16.384 -1.618 1.00 14.34 H new ATOM 0 HD22 ASN A 54 20.890 -15.384 -3.030 1.00 14.34 H new ATOM 795 N ASP A 55 23.236 -10.664 -3.770 1.00 33.12 N ATOM 796 CA ASP A 55 23.774 -9.856 -4.851 1.00 34.00 C ATOM 797 C ASP A 55 24.940 -9.018 -4.324 1.00 65.41 C ATOM 798 O ASP A 55 25.788 -8.573 -5.096 1.00 52.33 O ATOM 799 CB ASP A 55 22.715 -8.899 -5.402 1.00 2.50 C ATOM 800 CG ASP A 55 23.080 -8.224 -6.726 1.00 72.10 C ATOM 801 OD1 ASP A 55 24.262 -7.998 -7.023 1.00 63.23 O ATOM 802 OD2 ASP A 55 22.077 -7.923 -7.479 1.00 15.43 O ATOM 0 H ASP A 55 22.258 -10.479 -3.545 1.00 33.12 H new ATOM 0 HA ASP A 55 24.101 -10.528 -5.644 1.00 34.00 H new ATOM 0 HB2 ASP A 55 21.784 -9.450 -5.537 1.00 2.50 H new ATOM 0 HB3 ASP A 55 22.523 -8.126 -4.658 1.00 2.50 H new ATOM 808 N ASN A 56 24.947 -8.830 -3.013 1.00 10.33 N ATOM 809 CA ASN A 56 25.996 -8.053 -2.374 1.00 31.45 C ATOM 810 C ASN A 56 27.129 -8.989 -1.948 1.00 44.11 C ATOM 811 O ASN A 56 28.250 -8.543 -1.709 1.00 45.20 O ATOM 812 CB ASN A 56 25.472 -7.345 -1.122 1.00 65.53 C ATOM 813 CG ASN A 56 24.449 -6.269 -1.489 1.00 43.31 C ATOM 814 OD1 ASN A 56 23.678 -6.586 -2.525 1.00 75.43 O flip ATOM 815 ND2 ASN A 56 24.366 -5.219 -0.872 1.00 40.11 N flip ATOM 0 H ASN A 56 24.243 -9.202 -2.375 1.00 10.33 H new ATOM 0 HA ASN A 56 26.348 -7.309 -3.088 1.00 31.45 H new ATOM 0 HB2 ASN A 56 25.015 -8.073 -0.452 1.00 65.53 H new ATOM 0 HB3 ASN A 56 26.303 -6.892 -0.581 1.00 65.53 H new ATOM 0 HD21 ASN A 56 24.990 -5.039 -0.085 1.00 40.11 H new ATOM 0 HD22 ASN A 56 23.673 -4.522 -1.143 1.00 40.11 H new ATOM 822 N GLY A 57 26.798 -10.269 -1.867 1.00 21.14 N ATOM 823 CA GLY A 57 27.774 -11.271 -1.474 1.00 63.32 C ATOM 824 C GLY A 57 28.196 -11.084 -0.016 1.00 4.05 C ATOM 825 O GLY A 57 29.314 -11.432 0.361 1.00 65.55 O ATOM 0 H GLY A 57 25.867 -10.635 -2.067 1.00 21.14 H new ATOM 0 HA2 GLY A 57 27.352 -12.267 -1.609 1.00 63.32 H new ATOM 0 HA3 GLY A 57 28.649 -11.205 -2.121 1.00 63.32 H new ATOM 829 N VAL A 58 27.279 -10.534 0.767 1.00 62.04 N ATOM 830 CA VAL A 58 27.542 -10.296 2.176 1.00 63.23 C ATOM 831 C VAL A 58 26.578 -11.133 3.018 1.00 21.35 C ATOM 832 O VAL A 58 25.376 -11.150 2.760 1.00 54.31 O ATOM 833 CB VAL A 58 27.456 -8.799 2.479 1.00 51.12 C ATOM 834 CG1 VAL A 58 27.527 -8.540 3.985 1.00 55.51 C ATOM 835 CG2 VAL A 58 28.548 -8.026 1.737 1.00 1.42 C ATOM 0 H VAL A 58 26.353 -10.246 0.452 1.00 62.04 H new ATOM 0 HA VAL A 58 28.554 -10.608 2.434 1.00 63.23 H new ATOM 0 HB VAL A 58 26.491 -8.440 2.123 1.00 51.12 H new ATOM 0 HG11 VAL A 58 27.464 -7.468 4.173 1.00 55.51 H new ATOM 0 HG12 VAL A 58 26.698 -9.045 4.481 1.00 55.51 H new ATOM 0 HG13 VAL A 58 28.470 -8.922 4.376 1.00 55.51 H new ATOM 0 HG21 VAL A 58 28.464 -6.964 1.970 1.00 1.42 H new ATOM 0 HG22 VAL A 58 29.527 -8.390 2.049 1.00 1.42 H new ATOM 0 HG23 VAL A 58 28.432 -8.172 0.663 1.00 1.42 H new ATOM 845 N ASP A 59 27.142 -11.808 4.009 1.00 33.25 N ATOM 846 CA ASP A 59 26.347 -12.646 4.892 1.00 50.51 C ATOM 847 C ASP A 59 26.923 -12.578 6.308 1.00 63.35 C ATOM 848 O ASP A 59 28.132 -12.705 6.496 1.00 22.31 O ATOM 849 CB ASP A 59 26.376 -14.106 4.439 1.00 71.55 C ATOM 850 CG ASP A 59 25.107 -14.904 4.745 1.00 32.05 C ATOM 851 OD1 ASP A 59 24.678 -15.001 5.905 1.00 41.11 O ATOM 852 OD2 ASP A 59 24.543 -15.448 3.720 1.00 5.13 O ATOM 0 H ASP A 59 28.140 -11.792 4.220 1.00 33.25 H new ATOM 0 HA ASP A 59 25.320 -12.282 4.868 1.00 50.51 H new ATOM 0 HB2 ASP A 59 26.554 -14.134 3.364 1.00 71.55 H new ATOM 0 HB3 ASP A 59 27.222 -14.602 4.915 1.00 71.55 H new ATOM 858 N GLY A 60 26.031 -12.379 7.266 1.00 1.25 N ATOM 859 CA GLY A 60 26.436 -12.293 8.659 1.00 31.23 C ATOM 860 C GLY A 60 25.232 -12.445 9.591 1.00 54.03 C ATOM 861 O GLY A 60 24.599 -13.499 9.626 1.00 32.22 O ATOM 0 H GLY A 60 25.029 -12.275 7.106 1.00 1.25 H new ATOM 0 HA2 GLY A 60 27.169 -13.070 8.877 1.00 31.23 H new ATOM 0 HA3 GLY A 60 26.923 -11.335 8.841 1.00 31.23 H new ATOM 865 N GLU A 61 24.951 -11.376 10.322 1.00 70.41 N ATOM 866 CA GLU A 61 23.834 -11.378 11.251 1.00 52.50 C ATOM 867 C GLU A 61 22.594 -10.772 10.591 1.00 53.53 C ATOM 868 O GLU A 61 22.569 -9.581 10.283 1.00 1.22 O ATOM 869 CB GLU A 61 24.190 -10.631 12.538 1.00 50.32 C ATOM 870 CG GLU A 61 22.960 -10.461 13.432 1.00 51.23 C ATOM 871 CD GLU A 61 22.570 -11.788 14.085 1.00 33.13 C ATOM 872 OE1 GLU A 61 23.101 -12.844 13.710 1.00 51.21 O ATOM 873 OE2 GLU A 61 21.681 -11.697 15.016 1.00 60.00 O ATOM 0 H GLU A 61 25.478 -10.503 10.290 1.00 70.41 H new ATOM 0 HA GLU A 61 23.611 -12.411 11.519 1.00 52.50 H new ATOM 0 HB2 GLU A 61 24.963 -11.177 13.078 1.00 50.32 H new ATOM 0 HB3 GLU A 61 24.603 -9.653 12.292 1.00 50.32 H new ATOM 0 HG2 GLU A 61 23.166 -9.719 14.203 1.00 51.23 H new ATOM 0 HG3 GLU A 61 22.126 -10.083 12.841 1.00 51.23 H new ATOM 881 N TRP A 62 21.595 -11.619 10.392 1.00 15.42 N ATOM 882 CA TRP A 62 20.354 -11.181 9.774 1.00 23.40 C ATOM 883 C TRP A 62 19.353 -10.874 10.889 1.00 32.32 C ATOM 884 O TRP A 62 19.079 -11.725 11.734 1.00 30.22 O ATOM 885 CB TRP A 62 19.840 -12.224 8.779 1.00 23.03 C ATOM 886 CG TRP A 62 20.770 -12.457 7.587 1.00 74.35 C ATOM 887 CD1 TRP A 62 22.052 -12.845 7.603 1.00 22.23 C ATOM 888 CD2 TRP A 62 20.434 -12.301 6.192 1.00 50.14 C ATOM 889 NE1 TRP A 62 22.566 -12.950 6.327 1.00 52.33 N ATOM 890 CE2 TRP A 62 21.550 -12.608 5.441 1.00 63.41 C ATOM 891 CE3 TRP A 62 19.227 -11.913 5.584 1.00 12.32 C ATOM 892 CZ2 TRP A 62 21.571 -12.559 4.042 1.00 72.31 C ATOM 893 CZ3 TRP A 62 19.264 -11.869 4.185 1.00 13.53 C ATOM 894 CH2 TRP A 62 20.379 -12.175 3.415 1.00 5.21 C ATOM 0 H TRP A 62 21.619 -12.606 10.648 1.00 15.42 H new ATOM 0 HA TRP A 62 20.513 -10.274 9.190 1.00 23.40 H new ATOM 0 HB2 TRP A 62 19.693 -13.169 9.302 1.00 23.03 H new ATOM 0 HB3 TRP A 62 18.864 -11.909 8.409 1.00 23.03 H new ATOM 0 HD1 TRP A 62 22.613 -13.050 8.503 1.00 22.23 H new ATOM 0 HE1 TRP A 62 23.516 -13.227 6.079 1.00 52.33 H new ATOM 0 HE3 TRP A 62 18.341 -11.668 6.151 1.00 12.32 H new ATOM 0 HZ2 TRP A 62 22.458 -12.804 3.477 1.00 72.31 H new ATOM 0 HZ3 TRP A 62 18.362 -11.577 3.668 1.00 13.53 H new ATOM 0 HH2 TRP A 62 20.327 -12.117 2.338 1.00 5.21 H new ATOM 905 N THR A 63 18.833 -9.656 10.855 1.00 4.14 N ATOM 906 CA THR A 63 17.868 -9.226 11.853 1.00 42.13 C ATOM 907 C THR A 63 16.699 -8.499 11.185 1.00 44.21 C ATOM 908 O THR A 63 16.906 -7.631 10.338 1.00 71.33 O ATOM 909 CB THR A 63 18.605 -8.371 12.886 1.00 32.31 C ATOM 910 OG1 THR A 63 17.574 -7.917 13.759 1.00 43.42 O ATOM 911 CG2 THR A 63 19.176 -7.086 12.283 1.00 23.41 C ATOM 0 H THR A 63 19.062 -8.953 10.152 1.00 4.14 H new ATOM 0 HA THR A 63 17.427 -10.078 12.370 1.00 42.13 H new ATOM 0 HB THR A 63 19.413 -8.953 13.329 1.00 32.31 H new ATOM 0 HG1 THR A 63 17.964 -7.356 14.462 1.00 43.42 H new ATOM 0 HG21 THR A 63 19.689 -6.517 13.058 1.00 23.41 H new ATOM 0 HG22 THR A 63 19.882 -7.338 11.491 1.00 23.41 H new ATOM 0 HG23 THR A 63 18.365 -6.487 11.869 1.00 23.41 H new ATOM 919 N TYR A 64 15.497 -8.879 11.592 1.00 63.33 N ATOM 920 CA TYR A 64 14.295 -8.274 11.043 1.00 24.44 C ATOM 921 C TYR A 64 13.328 -7.871 12.157 1.00 15.55 C ATOM 922 O TYR A 64 13.125 -8.621 13.111 1.00 41.30 O ATOM 923 CB TYR A 64 13.638 -9.352 10.179 1.00 51.33 C ATOM 924 CG TYR A 64 12.119 -9.214 10.061 1.00 33.14 C ATOM 925 CD1 TYR A 64 11.574 -8.329 9.153 1.00 0.14 C ATOM 926 CD2 TYR A 64 11.293 -9.975 10.864 1.00 72.24 C ATOM 927 CE1 TYR A 64 10.144 -8.199 9.043 1.00 21.31 C ATOM 928 CE2 TYR A 64 9.863 -9.846 10.753 1.00 11.32 C ATOM 929 CZ TYR A 64 9.359 -8.964 9.848 1.00 21.14 C ATOM 930 OH TYR A 64 8.009 -8.842 9.744 1.00 13.32 O ATOM 0 H TYR A 64 15.329 -9.598 12.295 1.00 63.33 H new ATOM 0 HA TYR A 64 14.541 -7.376 10.476 1.00 24.44 H new ATOM 0 HB2 TYR A 64 14.074 -9.319 9.181 1.00 51.33 H new ATOM 0 HB3 TYR A 64 13.872 -10.331 10.597 1.00 51.33 H new ATOM 0 HD1 TYR A 64 12.220 -7.734 8.525 1.00 0.14 H new ATOM 0 HD2 TYR A 64 11.719 -10.667 11.575 1.00 72.24 H new ATOM 0 HE1 TYR A 64 9.705 -7.510 8.337 1.00 21.31 H new ATOM 0 HE2 TYR A 64 9.205 -10.436 11.374 1.00 11.32 H new ATOM 0 HH TYR A 64 7.576 -9.414 10.412 1.00 13.32 H new ATOM 940 N ASP A 65 12.755 -6.686 12.000 1.00 62.12 N ATOM 941 CA ASP A 65 11.813 -6.173 12.981 1.00 64.55 C ATOM 942 C ASP A 65 10.444 -5.996 12.322 1.00 32.50 C ATOM 943 O ASP A 65 10.254 -5.092 11.510 1.00 73.41 O ATOM 944 CB ASP A 65 12.261 -4.811 13.514 1.00 31.33 C ATOM 945 CG ASP A 65 13.078 -4.860 14.807 1.00 15.13 C ATOM 946 OD1 ASP A 65 14.281 -5.158 14.792 1.00 41.23 O ATOM 947 OD2 ASP A 65 12.419 -4.572 15.879 1.00 44.22 O ATOM 0 H ASP A 65 12.925 -6.066 11.208 1.00 62.12 H new ATOM 0 HA ASP A 65 11.763 -6.884 13.806 1.00 64.55 H new ATOM 0 HB2 ASP A 65 12.854 -4.314 12.746 1.00 31.33 H new ATOM 0 HB3 ASP A 65 11.378 -4.195 13.683 1.00 31.33 H new ATOM 953 N ASP A 66 9.525 -6.874 12.697 1.00 72.12 N ATOM 954 CA ASP A 66 8.178 -6.826 12.153 1.00 62.23 C ATOM 955 C ASP A 66 7.496 -5.533 12.604 1.00 44.13 C ATOM 956 O ASP A 66 6.524 -5.094 11.992 1.00 40.43 O ATOM 957 CB ASP A 66 7.339 -8.003 12.655 1.00 42.12 C ATOM 958 CG ASP A 66 6.023 -8.225 11.906 1.00 3.44 C ATOM 959 OD1 ASP A 66 5.874 -9.197 11.151 1.00 11.14 O ATOM 960 OD2 ASP A 66 5.114 -7.336 12.127 1.00 45.14 O ATOM 0 H ASP A 66 9.687 -7.623 13.371 1.00 72.12 H new ATOM 0 HA ASP A 66 8.251 -6.873 11.066 1.00 62.23 H new ATOM 0 HB2 ASP A 66 7.937 -8.912 12.586 1.00 42.12 H new ATOM 0 HB3 ASP A 66 7.117 -7.847 13.711 1.00 42.12 H new ATOM 966 N ALA A 67 8.033 -4.959 13.671 1.00 63.54 N ATOM 967 CA ALA A 67 7.489 -3.725 14.211 1.00 72.34 C ATOM 968 C ALA A 67 7.569 -2.629 13.146 1.00 2.15 C ATOM 969 O ALA A 67 6.785 -1.681 13.166 1.00 24.12 O ATOM 970 CB ALA A 67 8.240 -3.352 15.490 1.00 23.30 C ATOM 0 H ALA A 67 8.840 -5.326 14.176 1.00 63.54 H new ATOM 0 HA ALA A 67 6.439 -3.852 14.476 1.00 72.34 H new ATOM 0 HB1 ALA A 67 7.832 -2.426 15.895 1.00 23.30 H new ATOM 0 HB2 ALA A 67 8.127 -4.150 16.224 1.00 23.30 H new ATOM 0 HB3 ALA A 67 9.297 -3.214 15.264 1.00 23.30 H new ATOM 976 N THR A 68 8.524 -2.795 12.243 1.00 52.42 N ATOM 977 CA THR A 68 8.717 -1.831 11.173 1.00 52.33 C ATOM 978 C THR A 68 9.030 -2.549 9.858 1.00 12.34 C ATOM 979 O THR A 68 9.460 -1.922 8.892 1.00 43.33 O ATOM 980 CB THR A 68 9.812 -0.854 11.608 1.00 75.45 C ATOM 981 OG1 THR A 68 9.964 0.017 10.490 1.00 32.51 O ATOM 982 CG2 THR A 68 11.178 -1.529 11.743 1.00 60.32 C ATOM 0 H THR A 68 9.172 -3.582 12.230 1.00 52.42 H new ATOM 0 HA THR A 68 7.808 -1.260 10.986 1.00 52.33 H new ATOM 0 HB THR A 68 9.536 -0.399 12.559 1.00 75.45 H new ATOM 0 HG1 THR A 68 10.168 -0.511 9.690 1.00 32.51 H new ATOM 0 HG21 THR A 68 11.919 -0.792 12.054 1.00 60.32 H new ATOM 0 HG22 THR A 68 11.120 -2.322 12.489 1.00 60.32 H new ATOM 0 HG23 THR A 68 11.470 -1.955 10.783 1.00 60.32 H new ATOM 990 N LYS A 69 8.801 -3.854 9.865 1.00 2.32 N ATOM 991 CA LYS A 69 9.053 -4.664 8.686 1.00 44.34 C ATOM 992 C LYS A 69 10.346 -4.193 8.015 1.00 13.44 C ATOM 993 O LYS A 69 10.327 -3.741 6.872 1.00 51.54 O ATOM 994 CB LYS A 69 7.838 -4.650 7.756 1.00 2.31 C ATOM 995 CG LYS A 69 6.736 -5.572 8.281 1.00 70.22 C ATOM 996 CD LYS A 69 5.598 -4.765 8.908 1.00 53.11 C ATOM 997 CE LYS A 69 4.249 -5.449 8.677 1.00 14.13 C ATOM 998 NZ LYS A 69 4.018 -5.667 7.232 1.00 44.23 N ATOM 0 H LYS A 69 8.444 -4.370 10.669 1.00 2.32 H new ATOM 0 HA LYS A 69 9.200 -5.707 8.966 1.00 44.34 H new ATOM 0 HB2 LYS A 69 7.455 -3.633 7.667 1.00 2.31 H new ATOM 0 HB3 LYS A 69 8.137 -4.967 6.757 1.00 2.31 H new ATOM 0 HG2 LYS A 69 6.348 -6.182 7.465 1.00 70.22 H new ATOM 0 HG3 LYS A 69 7.151 -6.257 9.020 1.00 70.22 H new ATOM 0 HD2 LYS A 69 5.774 -4.652 9.978 1.00 53.11 H new ATOM 0 HD3 LYS A 69 5.580 -3.763 8.480 1.00 53.11 H new ATOM 0 HE2 LYS A 69 4.224 -6.403 9.203 1.00 14.13 H new ATOM 0 HE3 LYS A 69 3.448 -4.836 9.091 1.00 14.13 H new ATOM 0 HZ1 LYS A 69 2.997 -5.638 7.035 1.00 44.23 H new ATOM 0 HZ2 LYS A 69 4.497 -4.921 6.688 1.00 44.23 H new ATOM 0 HZ3 LYS A 69 4.398 -6.595 6.956 1.00 44.23 H new ATOM 1011 N THR A 70 11.437 -4.315 8.756 1.00 3.43 N ATOM 1012 CA THR A 70 12.736 -3.907 8.248 1.00 1.21 C ATOM 1013 C THR A 70 13.790 -4.969 8.565 1.00 23.23 C ATOM 1014 O THR A 70 13.814 -5.515 9.667 1.00 24.32 O ATOM 1015 CB THR A 70 13.063 -2.532 8.835 1.00 70.12 C ATOM 1016 OG1 THR A 70 12.197 -1.642 8.136 1.00 3.31 O ATOM 1017 CG2 THR A 70 14.468 -2.055 8.462 1.00 61.33 C ATOM 0 H THR A 70 11.449 -4.691 9.704 1.00 3.43 H new ATOM 0 HA THR A 70 12.726 -3.818 7.162 1.00 1.21 H new ATOM 0 HB THR A 70 12.969 -2.569 9.920 1.00 70.12 H new ATOM 0 HG1 THR A 70 11.287 -1.726 8.489 1.00 3.31 H new ATOM 0 HG21 THR A 70 14.649 -1.075 8.904 1.00 61.33 H new ATOM 0 HG22 THR A 70 15.205 -2.764 8.839 1.00 61.33 H new ATOM 0 HG23 THR A 70 14.553 -1.985 7.378 1.00 61.33 H new ATOM 1025 N PHE A 71 14.636 -5.230 7.580 1.00 62.34 N ATOM 1026 CA PHE A 71 15.690 -6.218 7.740 1.00 42.42 C ATOM 1027 C PHE A 71 17.071 -5.575 7.592 1.00 53.21 C ATOM 1028 O PHE A 71 17.264 -4.697 6.753 1.00 52.45 O ATOM 1029 CB PHE A 71 15.503 -7.256 6.632 1.00 53.34 C ATOM 1030 CG PHE A 71 14.089 -7.836 6.555 1.00 51.52 C ATOM 1031 CD1 PHE A 71 13.048 -7.042 6.186 1.00 73.33 C ATOM 1032 CD2 PHE A 71 13.873 -9.144 6.856 1.00 64.33 C ATOM 1033 CE1 PHE A 71 11.736 -7.580 6.114 1.00 34.53 C ATOM 1034 CE2 PHE A 71 12.561 -9.682 6.784 1.00 23.44 C ATOM 1035 CZ PHE A 71 11.520 -8.889 6.415 1.00 21.22 C ATOM 0 H PHE A 71 14.613 -4.775 6.668 1.00 62.34 H new ATOM 0 HA PHE A 71 15.632 -6.667 8.732 1.00 42.42 H new ATOM 0 HB2 PHE A 71 15.750 -6.798 5.674 1.00 53.34 H new ATOM 0 HB3 PHE A 71 16.211 -8.070 6.788 1.00 53.34 H new ATOM 0 HD1 PHE A 71 13.219 -6.003 5.948 1.00 73.33 H new ATOM 0 HD2 PHE A 71 14.700 -9.774 7.150 1.00 64.33 H new ATOM 0 HE1 PHE A 71 10.909 -6.950 5.820 1.00 34.53 H new ATOM 0 HE2 PHE A 71 12.390 -10.721 7.022 1.00 23.44 H new ATOM 0 HZ PHE A 71 10.522 -9.298 6.361 1.00 21.22 H new ATOM 1045 N THR A 72 17.995 -6.037 8.420 1.00 24.34 N ATOM 1046 CA THR A 72 19.352 -5.518 8.392 1.00 24.55 C ATOM 1047 C THR A 72 20.363 -6.667 8.385 1.00 75.45 C ATOM 1048 O THR A 72 20.227 -7.623 9.147 1.00 4.12 O ATOM 1049 CB THR A 72 19.520 -4.570 9.581 1.00 44.20 C ATOM 1050 OG1 THR A 72 18.267 -3.898 9.669 1.00 51.23 O ATOM 1051 CG2 THR A 72 20.524 -3.450 9.299 1.00 24.22 C ATOM 0 H THR A 72 17.831 -6.765 9.115 1.00 24.34 H new ATOM 0 HA THR A 72 19.541 -4.955 7.478 1.00 24.55 H new ATOM 0 HB THR A 72 19.843 -5.137 10.454 1.00 44.20 H new ATOM 0 HG1 THR A 72 18.288 -3.264 10.416 1.00 51.23 H new ATOM 0 HG21 THR A 72 20.606 -2.806 10.174 1.00 24.22 H new ATOM 0 HG22 THR A 72 21.499 -3.883 9.075 1.00 24.22 H new ATOM 0 HG23 THR A 72 20.183 -2.862 8.447 1.00 24.22 H new ATOM 1059 N VAL A 73 21.352 -6.537 7.514 1.00 44.53 N ATOM 1060 CA VAL A 73 22.385 -7.552 7.396 1.00 21.03 C ATOM 1061 C VAL A 73 23.724 -6.966 7.849 1.00 20.43 C ATOM 1062 O VAL A 73 24.218 -6.008 7.258 1.00 43.21 O ATOM 1063 CB VAL A 73 22.424 -8.096 5.967 1.00 73.41 C ATOM 1064 CG1 VAL A 73 23.715 -7.684 5.258 1.00 63.10 C ATOM 1065 CG2 VAL A 73 22.252 -9.617 5.954 1.00 5.34 C ATOM 0 H VAL A 73 21.460 -5.743 6.882 1.00 44.53 H new ATOM 0 HA VAL A 73 22.164 -8.399 8.046 1.00 21.03 H new ATOM 0 HB VAL A 73 21.588 -7.660 5.420 1.00 73.41 H new ATOM 0 HG11 VAL A 73 23.717 -8.084 4.244 1.00 63.10 H new ATOM 0 HG12 VAL A 73 23.778 -6.596 5.219 1.00 63.10 H new ATOM 0 HG13 VAL A 73 24.572 -8.078 5.805 1.00 63.10 H new ATOM 0 HG21 VAL A 73 22.283 -9.978 4.926 1.00 5.34 H new ATOM 0 HG22 VAL A 73 23.057 -10.079 6.526 1.00 5.34 H new ATOM 0 HG23 VAL A 73 21.293 -9.879 6.401 1.00 5.34 H new ATOM 1075 N THR A 74 24.273 -7.567 8.895 1.00 60.33 N ATOM 1076 CA THR A 74 25.545 -7.117 9.434 1.00 61.41 C ATOM 1077 C THR A 74 26.643 -8.139 9.132 1.00 3.14 C ATOM 1078 O THR A 74 26.559 -9.290 9.557 1.00 74.31 O ATOM 1079 CB THR A 74 25.357 -6.850 10.929 1.00 61.44 C ATOM 1080 OG1 THR A 74 24.060 -6.268 11.017 1.00 53.22 O ATOM 1081 CG2 THR A 74 26.292 -5.758 11.450 1.00 5.35 C ATOM 0 H THR A 74 23.860 -8.362 9.383 1.00 60.33 H new ATOM 0 HA THR A 74 25.869 -6.189 8.962 1.00 61.41 H new ATOM 0 HB THR A 74 25.528 -7.771 11.487 1.00 61.44 H new ATOM 0 HG1 THR A 74 23.856 -6.065 11.954 1.00 53.22 H new ATOM 0 HG21 THR A 74 26.118 -5.608 12.515 1.00 5.35 H new ATOM 0 HG22 THR A 74 27.327 -6.059 11.290 1.00 5.35 H new ATOM 0 HG23 THR A 74 26.098 -4.828 10.916 1.00 5.35 H new ATOM 1089 N GLU A 75 27.649 -7.681 8.402 1.00 40.42 N ATOM 1090 CA GLU A 75 28.763 -8.540 8.039 1.00 72.24 C ATOM 1091 C GLU A 75 29.817 -8.539 9.147 1.00 65.30 C ATOM 1092 O GLU A 75 30.006 -9.545 9.830 1.00 12.54 O ATOM 1093 CB GLU A 75 29.372 -8.113 6.702 1.00 41.32 C ATOM 1094 CG GLU A 75 30.035 -9.298 5.998 1.00 64.05 C ATOM 1095 CD GLU A 75 31.419 -9.582 6.587 1.00 53.33 C ATOM 1096 OE1 GLU A 75 32.438 -9.306 5.936 1.00 32.04 O ATOM 1097 OE2 GLU A 75 31.412 -10.107 7.765 1.00 42.01 O ATOM 0 H GLU A 75 27.716 -6.725 8.052 1.00 40.42 H new ATOM 0 HA GLU A 75 28.389 -9.557 7.922 1.00 72.24 H new ATOM 0 HB2 GLU A 75 28.596 -7.693 6.062 1.00 41.32 H new ATOM 0 HB3 GLU A 75 30.108 -7.326 6.868 1.00 41.32 H new ATOM 0 HG2 GLU A 75 29.406 -10.182 6.096 1.00 64.05 H new ATOM 0 HG3 GLU A 75 30.126 -9.088 4.932 1.00 64.05 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.781 -4.732 -13.223 1.00 1.51 LA