USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 589 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 60 GLN : amide:sc= -0.98 K(o=-1.1,f=-2.1) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= -0.0852 USER MOD Set 2.1: A 10 HIS : no HE2:sc= -0.218 K(o=0.2,f=-0.45) USER MOD Set 2.2: A 12 SER OG : rot 49:sc= 0.413 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0792 (180deg=-0.00421) USER MOD Single : A 3 HIS : no HE2:sc=-0.00394 X(o=-0.0039,f=-0.48) USER MOD Single : A 4 HIS : no HE2:sc= 0.799 K(o=0.8,f=-3.3!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.15) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.65) USER MOD Single : A 8 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-3.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -156:sc= 0 (180deg=-0.588) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -141:sc= -0.293 (180deg=-0.848) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.00452 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.733 F(o=-1.6!,f=-0.73) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -51:sc= 0.702 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 2.12 (180deg=1.24) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.221 F(o=-1.2,f=-0.22) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= -0.0414 (180deg=-0.347) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.377 -28.693 -43.806 1.00 15.41 N ATOM 2 CA MET A 1 -3.013 -28.895 -44.382 1.00 71.41 C ATOM 3 C MET A 1 -2.538 -30.344 -44.210 1.00 55.54 C ATOM 4 O MET A 1 -3.244 -31.178 -43.644 1.00 12.51 O ATOM 5 CB MET A 1 -2.000 -27.943 -43.723 1.00 25.04 C ATOM 6 CG MET A 1 -2.191 -26.481 -44.091 1.00 41.31 C ATOM 7 SD MET A 1 -0.940 -25.417 -43.340 1.00 14.14 S ATOM 8 CE MET A 1 -1.371 -23.827 -44.049 1.00 54.31 C ATOM 0 H1 MET A 1 -5.014 -28.329 -44.543 1.00 15.41 H new ATOM 0 H2 MET A 1 -4.741 -29.600 -43.450 1.00 15.41 H new ATOM 0 H3 MET A 1 -4.326 -28.010 -43.024 1.00 15.41 H new ATOM 0 HA MET A 1 -3.077 -28.676 -45.448 1.00 71.41 H new ATOM 0 HB2 MET A 1 -2.072 -28.046 -42.640 1.00 25.04 H new ATOM 0 HB3 MET A 1 -0.993 -28.249 -44.006 1.00 25.04 H new ATOM 0 HG2 MET A 1 -2.153 -26.373 -45.175 1.00 41.31 H new ATOM 0 HG3 MET A 1 -3.181 -26.155 -43.773 1.00 41.31 H new ATOM 0 HE1 MET A 1 -0.685 -23.065 -43.678 1.00 54.31 H new ATOM 0 HE2 MET A 1 -1.300 -23.882 -45.135 1.00 54.31 H new ATOM 0 HE3 MET A 1 -2.391 -23.566 -43.765 1.00 54.31 H new ATOM 20 N GLY A 2 -1.335 -30.630 -44.705 1.00 31.00 N ATOM 21 CA GLY A 2 -0.745 -31.954 -44.549 1.00 5.41 C ATOM 22 C GLY A 2 -0.005 -32.113 -43.225 1.00 41.33 C ATOM 23 O GLY A 2 0.687 -31.195 -42.777 1.00 60.33 O ATOM 0 H GLY A 2 -0.754 -29.965 -45.215 1.00 31.00 H new ATOM 0 HA2 GLY A 2 -1.530 -32.708 -44.615 1.00 5.41 H new ATOM 0 HA3 GLY A 2 -0.054 -32.139 -45.372 1.00 5.41 H new ATOM 27 N HIS A 3 -0.139 -33.277 -42.601 1.00 21.42 N ATOM 28 CA HIS A 3 0.489 -33.535 -41.302 1.00 2.43 C ATOM 29 C HIS A 3 2.029 -33.531 -41.399 1.00 71.40 C ATOM 30 O HIS A 3 2.648 -34.559 -41.679 1.00 45.21 O ATOM 31 CB HIS A 3 -0.005 -34.874 -40.743 1.00 63.30 C ATOM 32 CG HIS A 3 0.528 -35.204 -39.382 1.00 45.21 C ATOM 33 ND1 HIS A 3 1.736 -35.832 -39.180 1.00 41.52 N ATOM 34 CD2 HIS A 3 0.005 -35.002 -38.151 1.00 41.04 C ATOM 35 CE1 HIS A 3 1.929 -36.006 -37.891 1.00 44.11 C ATOM 36 NE2 HIS A 3 0.897 -35.512 -37.244 1.00 34.15 N ATOM 0 H HIS A 3 -0.677 -34.061 -42.971 1.00 21.42 H new ATOM 0 HA HIS A 3 0.203 -32.730 -40.625 1.00 2.43 H new ATOM 0 HB2 HIS A 3 -1.094 -34.858 -40.701 1.00 63.30 H new ATOM 0 HB3 HIS A 3 0.275 -35.669 -41.434 1.00 63.30 H new ATOM 0 HD1 HIS A 3 2.381 -36.118 -39.916 1.00 41.52 H new ATOM 0 HD2 HIS A 3 -0.939 -34.528 -37.925 1.00 41.04 H new ATOM 0 HE1 HIS A 3 2.790 -36.476 -37.440 1.00 44.11 H new ATOM 45 N HIS A 4 2.638 -32.368 -41.159 1.00 14.00 N ATOM 46 CA HIS A 4 4.102 -32.219 -41.219 1.00 52.04 C ATOM 47 C HIS A 4 4.682 -31.809 -39.852 1.00 24.51 C ATOM 48 O HIS A 4 4.194 -30.876 -39.211 1.00 21.34 O ATOM 49 CB HIS A 4 4.492 -31.194 -42.301 1.00 51.54 C ATOM 50 CG HIS A 4 3.917 -29.822 -42.093 1.00 60.12 C ATOM 51 ND1 HIS A 4 2.697 -29.428 -42.602 1.00 20.50 N ATOM 52 CD2 HIS A 4 4.403 -28.743 -41.430 1.00 13.21 C ATOM 53 CE1 HIS A 4 2.461 -28.177 -42.261 1.00 51.31 C ATOM 54 NE2 HIS A 4 3.479 -27.740 -41.552 1.00 62.42 N ATOM 0 H HIS A 4 2.142 -31.510 -40.920 1.00 14.00 H new ATOM 0 HA HIS A 4 4.527 -33.188 -41.482 1.00 52.04 H new ATOM 0 HB2 HIS A 4 5.579 -31.117 -42.337 1.00 51.54 H new ATOM 0 HB3 HIS A 4 4.167 -31.568 -43.272 1.00 51.54 H new ATOM 0 HD1 HIS A 4 2.074 -30.014 -43.157 1.00 20.50 H new ATOM 0 HD2 HIS A 4 5.344 -28.686 -40.904 1.00 13.21 H new ATOM 0 HE1 HIS A 4 1.581 -27.607 -42.520 1.00 51.31 H new ATOM 63 N HIS A 5 5.734 -32.502 -39.416 1.00 11.41 N ATOM 64 CA HIS A 5 6.344 -32.262 -38.101 1.00 42.11 C ATOM 65 C HIS A 5 7.711 -31.567 -38.226 1.00 12.21 C ATOM 66 O HIS A 5 8.472 -31.834 -39.153 1.00 22.14 O ATOM 67 CB HIS A 5 6.501 -33.597 -37.357 1.00 13.43 C ATOM 68 CG HIS A 5 7.277 -33.497 -36.077 1.00 32.03 C ATOM 69 ND1 HIS A 5 8.637 -33.714 -36.008 1.00 34.31 N ATOM 70 CD2 HIS A 5 6.885 -33.199 -34.816 1.00 2.52 C ATOM 71 CE1 HIS A 5 9.048 -33.545 -34.769 1.00 30.23 C ATOM 72 NE2 HIS A 5 8.008 -33.233 -34.026 1.00 43.30 N ATOM 0 H HIS A 5 6.187 -33.240 -39.956 1.00 11.41 H new ATOM 0 HA HIS A 5 5.687 -31.599 -37.539 1.00 42.11 H new ATOM 0 HB2 HIS A 5 5.511 -33.998 -37.139 1.00 13.43 H new ATOM 0 HB3 HIS A 5 6.996 -34.311 -38.015 1.00 13.43 H new ATOM 0 HD2 HIS A 5 5.879 -32.976 -34.492 1.00 2.52 H new ATOM 0 HE1 HIS A 5 10.066 -33.645 -34.421 1.00 30.23 H new ATOM 0 HE2 HIS A 5 8.032 -33.046 -33.024 1.00 43.30 H new ATOM 81 N HIS A 6 8.023 -30.687 -37.275 1.00 20.31 N ATOM 82 CA HIS A 6 9.334 -30.029 -37.228 1.00 31.33 C ATOM 83 C HIS A 6 9.901 -30.044 -35.797 1.00 34.51 C ATOM 84 O HIS A 6 9.177 -29.810 -34.827 1.00 44.11 O ATOM 85 CB HIS A 6 9.247 -28.590 -37.761 1.00 21.51 C ATOM 86 CG HIS A 6 8.416 -27.667 -36.920 1.00 55.13 C ATOM 87 ND1 HIS A 6 8.961 -26.744 -36.052 1.00 42.05 N ATOM 88 CD2 HIS A 6 7.074 -27.516 -36.825 1.00 53.51 C ATOM 89 CE1 HIS A 6 7.994 -26.070 -35.461 1.00 74.53 C ATOM 90 NE2 HIS A 6 6.840 -26.517 -35.912 1.00 3.52 N ATOM 0 H HIS A 6 7.388 -30.412 -36.526 1.00 20.31 H new ATOM 0 HA HIS A 6 10.014 -30.588 -37.872 1.00 31.33 H new ATOM 0 HB2 HIS A 6 10.255 -28.183 -37.838 1.00 21.51 H new ATOM 0 HB3 HIS A 6 8.834 -28.613 -38.770 1.00 21.51 H new ATOM 0 HD2 HIS A 6 6.326 -28.077 -37.366 1.00 53.51 H new ATOM 0 HE1 HIS A 6 8.126 -25.285 -34.731 1.00 74.53 H new ATOM 0 HE2 HIS A 6 5.921 -26.176 -35.629 1.00 3.52 H new ATOM 99 N HIS A 7 11.193 -30.330 -35.680 1.00 31.31 N ATOM 100 CA HIS A 7 11.858 -30.452 -34.374 1.00 60.22 C ATOM 101 C HIS A 7 11.913 -29.107 -33.622 1.00 3.11 C ATOM 102 O HIS A 7 12.445 -28.118 -34.128 1.00 61.23 O ATOM 103 CB HIS A 7 13.280 -31.008 -34.558 1.00 51.35 C ATOM 104 CG HIS A 7 14.189 -30.108 -35.345 1.00 73.35 C ATOM 105 ND1 HIS A 7 15.037 -29.197 -34.754 1.00 64.11 N ATOM 106 CD2 HIS A 7 14.374 -29.973 -36.681 1.00 11.43 C ATOM 107 CE1 HIS A 7 15.699 -28.543 -35.686 1.00 62.40 C ATOM 108 NE2 HIS A 7 15.317 -28.993 -36.863 1.00 45.13 N ATOM 0 H HIS A 7 11.811 -30.484 -36.477 1.00 31.31 H new ATOM 0 HA HIS A 7 11.268 -31.141 -33.770 1.00 60.22 H new ATOM 0 HB2 HIS A 7 13.720 -31.184 -33.577 1.00 51.35 H new ATOM 0 HB3 HIS A 7 13.220 -31.974 -35.058 1.00 51.35 H new ATOM 0 HD2 HIS A 7 13.873 -30.532 -37.457 1.00 11.43 H new ATOM 0 HE1 HIS A 7 16.432 -27.768 -35.514 1.00 62.40 H new ATOM 0 HE2 HIS A 7 15.666 -28.666 -37.764 1.00 45.13 H new ATOM 117 N HIS A 8 11.357 -29.079 -32.412 1.00 42.50 N ATOM 118 CA HIS A 8 11.412 -27.883 -31.559 1.00 72.33 C ATOM 119 C HIS A 8 12.731 -27.820 -30.768 1.00 51.43 C ATOM 120 O HIS A 8 13.353 -28.851 -30.498 1.00 14.44 O ATOM 121 CB HIS A 8 10.212 -27.855 -30.599 1.00 73.42 C ATOM 122 CG HIS A 8 10.122 -29.040 -29.675 1.00 24.45 C ATOM 123 ND1 HIS A 8 10.969 -30.129 -29.743 1.00 2.13 N ATOM 124 CD2 HIS A 8 9.269 -29.302 -28.655 1.00 21.12 C ATOM 125 CE1 HIS A 8 10.641 -31.000 -28.812 1.00 71.22 C ATOM 126 NE2 HIS A 8 9.615 -30.526 -28.136 1.00 34.10 N ATOM 0 H HIS A 8 10.862 -29.868 -31.996 1.00 42.50 H new ATOM 0 HA HIS A 8 11.367 -27.008 -32.207 1.00 72.33 H new ATOM 0 HB2 HIS A 8 10.264 -26.946 -29.999 1.00 73.42 H new ATOM 0 HB3 HIS A 8 9.295 -27.798 -31.186 1.00 73.42 H new ATOM 0 HD2 HIS A 8 8.466 -28.666 -28.313 1.00 21.12 H new ATOM 0 HE1 HIS A 8 11.131 -31.945 -28.633 1.00 71.22 H new ATOM 0 HE2 HIS A 8 9.153 -30.992 -27.355 1.00 34.10 H new ATOM 135 N SER A 9 13.147 -26.614 -30.393 1.00 52.23 N ATOM 136 CA SER A 9 14.409 -26.425 -29.663 1.00 73.14 C ATOM 137 C SER A 9 14.255 -26.710 -28.160 1.00 31.32 C ATOM 138 O SER A 9 13.232 -26.383 -27.550 1.00 24.11 O ATOM 139 CB SER A 9 14.940 -24.999 -29.866 1.00 52.43 C ATOM 140 OG SER A 9 16.193 -24.814 -29.222 1.00 1.53 O ATOM 0 H SER A 9 12.635 -25.752 -30.579 1.00 52.23 H new ATOM 0 HA SER A 9 15.123 -27.142 -30.069 1.00 73.14 H new ATOM 0 HB2 SER A 9 15.044 -24.797 -30.932 1.00 52.43 H new ATOM 0 HB3 SER A 9 14.219 -24.282 -29.474 1.00 52.43 H new ATOM 0 HG SER A 9 16.505 -23.897 -29.371 1.00 1.53 H new ATOM 146 N HIS A 10 15.278 -27.329 -27.572 1.00 50.43 N ATOM 147 CA HIS A 10 15.298 -27.627 -26.135 1.00 70.12 C ATOM 148 C HIS A 10 15.672 -26.377 -25.315 1.00 30.13 C ATOM 149 O HIS A 10 16.842 -25.996 -25.246 1.00 21.44 O ATOM 150 CB HIS A 10 16.293 -28.768 -25.849 1.00 22.14 C ATOM 151 CG HIS A 10 16.546 -29.001 -24.386 1.00 23.30 C ATOM 152 ND1 HIS A 10 17.459 -28.269 -23.661 1.00 73.14 N ATOM 153 CD2 HIS A 10 15.997 -29.877 -23.512 1.00 33.05 C ATOM 154 CE1 HIS A 10 17.462 -28.680 -22.411 1.00 61.31 C ATOM 155 NE2 HIS A 10 16.585 -29.652 -22.293 1.00 52.25 N ATOM 0 H HIS A 10 16.112 -27.637 -28.072 1.00 50.43 H new ATOM 0 HA HIS A 10 14.298 -27.940 -25.836 1.00 70.12 H new ATOM 0 HB2 HIS A 10 15.913 -29.688 -26.293 1.00 22.14 H new ATOM 0 HB3 HIS A 10 17.240 -28.543 -26.340 1.00 22.14 H new ATOM 0 HD1 HIS A 10 18.044 -27.522 -24.036 1.00 73.14 H new ATOM 0 HD2 HIS A 10 15.239 -30.614 -23.733 1.00 33.05 H new ATOM 0 HE1 HIS A 10 18.080 -28.286 -21.617 1.00 61.31 H new ATOM 164 N MET A 11 14.681 -25.745 -24.687 1.00 13.32 N ATOM 165 CA MET A 11 14.916 -24.512 -23.923 1.00 5.14 C ATOM 166 C MET A 11 14.637 -24.692 -22.419 1.00 63.24 C ATOM 167 O MET A 11 13.493 -24.606 -21.966 1.00 33.00 O ATOM 168 CB MET A 11 14.062 -23.366 -24.484 1.00 3.14 C ATOM 169 CG MET A 11 14.387 -23.016 -25.929 1.00 4.11 C ATOM 170 SD MET A 11 13.457 -21.590 -26.528 1.00 52.23 S ATOM 171 CE MET A 11 14.084 -21.451 -28.204 1.00 71.23 C ATOM 0 H MET A 11 13.711 -26.061 -24.690 1.00 13.32 H new ATOM 0 HA MET A 11 15.972 -24.265 -24.030 1.00 5.14 H new ATOM 0 HB2 MET A 11 13.009 -23.640 -24.413 1.00 3.14 H new ATOM 0 HB3 MET A 11 14.204 -22.481 -23.864 1.00 3.14 H new ATOM 0 HG2 MET A 11 15.454 -22.812 -26.018 1.00 4.11 H new ATOM 0 HG3 MET A 11 14.173 -23.876 -26.563 1.00 4.11 H new ATOM 0 HE1 MET A 11 13.958 -20.427 -28.556 1.00 71.23 H new ATOM 0 HE2 MET A 11 15.142 -21.712 -28.219 1.00 71.23 H new ATOM 0 HE3 MET A 11 13.533 -22.129 -28.856 1.00 71.23 H new ATOM 181 N SER A 12 15.692 -24.957 -21.655 1.00 22.11 N ATOM 182 CA SER A 12 15.604 -25.036 -20.191 1.00 31.42 C ATOM 183 C SER A 12 16.299 -23.826 -19.553 1.00 51.34 C ATOM 184 O SER A 12 17.470 -23.887 -19.177 1.00 20.20 O ATOM 185 CB SER A 12 16.235 -26.341 -19.686 1.00 23.13 C ATOM 186 OG SER A 12 17.564 -26.487 -20.165 1.00 21.42 O ATOM 0 H SER A 12 16.628 -25.123 -22.025 1.00 22.11 H new ATOM 0 HA SER A 12 14.552 -25.027 -19.904 1.00 31.42 H new ATOM 0 HB2 SER A 12 16.235 -26.350 -18.596 1.00 23.13 H new ATOM 0 HB3 SER A 12 15.633 -27.189 -20.012 1.00 23.13 H new ATOM 0 HG SER A 12 18.063 -25.659 -20.003 1.00 21.42 H new ATOM 192 N THR A 13 15.572 -22.715 -19.462 1.00 63.25 N ATOM 193 CA THR A 13 16.137 -21.436 -19.001 1.00 23.03 C ATOM 194 C THR A 13 15.821 -21.157 -17.523 1.00 21.24 C ATOM 195 O THR A 13 14.839 -21.668 -16.983 1.00 52.04 O ATOM 196 CB THR A 13 15.590 -20.266 -19.853 1.00 52.33 C ATOM 197 OG1 THR A 13 14.156 -20.244 -19.785 1.00 54.42 O ATOM 198 CG2 THR A 13 16.029 -20.396 -21.309 1.00 2.35 C ATOM 0 H THR A 13 14.582 -22.669 -19.702 1.00 63.25 H new ATOM 0 HA THR A 13 17.218 -21.515 -19.113 1.00 23.03 H new ATOM 0 HB THR A 13 15.993 -19.336 -19.452 1.00 52.33 H new ATOM 0 HG1 THR A 13 13.814 -19.501 -20.324 1.00 54.42 H new ATOM 0 HG21 THR A 13 15.631 -19.561 -21.885 1.00 2.35 H new ATOM 0 HG22 THR A 13 17.118 -20.388 -21.363 1.00 2.35 H new ATOM 0 HG23 THR A 13 15.653 -21.333 -21.720 1.00 2.35 H new ATOM 206 N PRO A 14 16.658 -20.341 -16.839 1.00 33.21 N ATOM 207 CA PRO A 14 16.393 -19.916 -15.450 1.00 22.43 C ATOM 208 C PRO A 14 15.097 -19.094 -15.341 1.00 13.43 C ATOM 209 O PRO A 14 14.987 -18.006 -15.910 1.00 72.22 O ATOM 210 CB PRO A 14 17.623 -19.063 -15.085 1.00 2.13 C ATOM 211 CG PRO A 14 18.208 -18.648 -16.394 1.00 11.13 C ATOM 212 CD PRO A 14 17.926 -19.780 -17.346 1.00 5.22 C ATOM 0 HA PRO A 14 16.250 -20.763 -14.780 1.00 22.43 H new ATOM 0 HB2 PRO A 14 17.339 -18.197 -14.487 1.00 2.13 H new ATOM 0 HB3 PRO A 14 18.340 -19.636 -14.496 1.00 2.13 H new ATOM 0 HG2 PRO A 14 17.759 -17.719 -16.746 1.00 11.13 H new ATOM 0 HG3 PRO A 14 19.280 -18.470 -16.305 1.00 11.13 H new ATOM 0 HD2 PRO A 14 17.828 -19.427 -18.373 1.00 5.22 H new ATOM 0 HD3 PRO A 14 18.725 -20.521 -17.338 1.00 5.22 H new ATOM 220 N LEU A 15 14.118 -19.622 -14.614 1.00 63.22 N ATOM 221 CA LEU A 15 12.787 -19.010 -14.538 1.00 30.40 C ATOM 222 C LEU A 15 12.705 -17.921 -13.458 1.00 21.20 C ATOM 223 O LEU A 15 13.171 -18.100 -12.331 1.00 61.31 O ATOM 224 CB LEU A 15 11.734 -20.093 -14.277 1.00 14.34 C ATOM 225 CG LEU A 15 11.670 -21.203 -15.341 1.00 65.10 C ATOM 226 CD1 LEU A 15 10.625 -22.251 -14.974 1.00 13.14 C ATOM 227 CD2 LEU A 15 11.389 -20.614 -16.725 1.00 11.32 C ATOM 0 H LEU A 15 14.218 -20.476 -14.065 1.00 63.22 H new ATOM 0 HA LEU A 15 12.592 -18.527 -15.495 1.00 30.40 H new ATOM 0 HB2 LEU A 15 11.936 -20.550 -13.308 1.00 14.34 H new ATOM 0 HB3 LEU A 15 10.755 -19.619 -14.208 1.00 14.34 H new ATOM 0 HG LEU A 15 12.642 -21.695 -15.373 1.00 65.10 H new ATOM 0 HD11 LEU A 15 10.600 -23.024 -15.742 1.00 13.14 H new ATOM 0 HD12 LEU A 15 10.882 -22.701 -14.015 1.00 13.14 H new ATOM 0 HD13 LEU A 15 9.645 -21.778 -14.902 1.00 13.14 H new ATOM 0 HD21 LEU A 15 11.348 -21.417 -17.461 1.00 11.32 H new ATOM 0 HD22 LEU A 15 10.435 -20.087 -16.709 1.00 11.32 H new ATOM 0 HD23 LEU A 15 12.184 -19.917 -16.992 1.00 11.32 H new ATOM 239 N THR A 16 12.105 -16.791 -13.822 1.00 50.21 N ATOM 240 CA THR A 16 11.903 -15.661 -12.900 1.00 24.33 C ATOM 241 C THR A 16 10.435 -15.561 -12.457 1.00 11.21 C ATOM 242 O THR A 16 9.526 -15.878 -13.225 1.00 41.31 O ATOM 243 CB THR A 16 12.313 -14.320 -13.559 1.00 44.44 C ATOM 244 OG1 THR A 16 11.572 -14.115 -14.776 1.00 12.25 O ATOM 245 CG2 THR A 16 13.812 -14.289 -13.861 1.00 55.45 C ATOM 0 H THR A 16 11.743 -16.626 -14.761 1.00 50.21 H new ATOM 0 HA THR A 16 12.534 -15.847 -12.031 1.00 24.33 H new ATOM 0 HB THR A 16 12.084 -13.519 -12.856 1.00 44.44 H new ATOM 0 HG1 THR A 16 11.839 -13.264 -15.182 1.00 12.25 H new ATOM 0 HG21 THR A 16 14.070 -13.336 -14.323 1.00 55.45 H new ATOM 0 HG22 THR A 16 14.373 -14.407 -12.934 1.00 55.45 H new ATOM 0 HG23 THR A 16 14.063 -15.102 -14.542 1.00 55.45 H new ATOM 253 N GLY A 17 10.205 -15.119 -11.221 1.00 21.20 N ATOM 254 CA GLY A 17 8.842 -15.003 -10.699 1.00 51.35 C ATOM 255 C GLY A 17 8.586 -13.693 -9.951 1.00 41.52 C ATOM 256 O GLY A 17 9.488 -12.867 -9.802 1.00 45.23 O ATOM 0 H GLY A 17 10.936 -14.838 -10.568 1.00 21.20 H new ATOM 0 HA2 GLY A 17 8.136 -15.084 -11.526 1.00 51.35 H new ATOM 0 HA3 GLY A 17 8.645 -15.840 -10.029 1.00 51.35 H new ATOM 260 N LYS A 18 7.352 -13.503 -9.482 1.00 11.52 N ATOM 261 CA LYS A 18 6.971 -12.292 -8.734 1.00 4.31 C ATOM 262 C LYS A 18 7.532 -12.302 -7.293 1.00 20.22 C ATOM 263 O LYS A 18 7.217 -13.196 -6.501 1.00 20.51 O ATOM 264 CB LYS A 18 5.439 -12.160 -8.686 1.00 53.23 C ATOM 265 CG LYS A 18 4.778 -12.050 -10.061 1.00 75.11 C ATOM 266 CD LYS A 18 5.211 -10.789 -10.803 1.00 53.14 C ATOM 267 CE LYS A 18 4.544 -10.683 -12.171 1.00 54.14 C ATOM 268 NZ LYS A 18 4.953 -9.448 -12.893 1.00 73.40 N ATOM 0 H LYS A 18 6.592 -14.172 -9.605 1.00 11.52 H new ATOM 0 HA LYS A 18 7.402 -11.438 -9.258 1.00 4.31 H new ATOM 0 HB2 LYS A 18 5.027 -13.024 -8.165 1.00 53.23 H new ATOM 0 HB3 LYS A 18 5.179 -11.279 -8.098 1.00 53.23 H new ATOM 0 HG2 LYS A 18 5.032 -12.927 -10.657 1.00 75.11 H new ATOM 0 HG3 LYS A 18 3.694 -12.048 -9.943 1.00 75.11 H new ATOM 0 HD2 LYS A 18 4.960 -9.912 -10.207 1.00 53.14 H new ATOM 0 HD3 LYS A 18 6.294 -10.792 -10.925 1.00 53.14 H new ATOM 0 HE2 LYS A 18 4.803 -11.556 -12.770 1.00 54.14 H new ATOM 0 HE3 LYS A 18 3.461 -10.690 -12.048 1.00 54.14 H new ATOM 0 HZ1 LYS A 18 4.478 -9.413 -13.818 1.00 73.40 H new ATOM 0 HZ2 LYS A 18 4.683 -8.614 -12.334 1.00 73.40 H new ATOM 0 HZ3 LYS A 18 5.984 -9.453 -13.033 1.00 73.40 H new ATOM 282 N PRO A 19 8.367 -11.305 -6.932 1.00 11.14 N ATOM 283 CA PRO A 19 8.927 -11.187 -5.575 1.00 45.40 C ATOM 284 C PRO A 19 7.970 -10.490 -4.582 1.00 20.24 C ATOM 285 O PRO A 19 7.457 -9.400 -4.852 1.00 51.12 O ATOM 286 CB PRO A 19 10.181 -10.340 -5.812 1.00 20.33 C ATOM 287 CG PRO A 19 9.821 -9.446 -6.955 1.00 40.41 C ATOM 288 CD PRO A 19 8.851 -10.222 -7.818 1.00 63.11 C ATOM 0 HA PRO A 19 9.117 -12.159 -5.119 1.00 45.40 H new ATOM 0 HB2 PRO A 19 10.444 -9.763 -4.925 1.00 20.33 H new ATOM 0 HB3 PRO A 19 11.042 -10.964 -6.053 1.00 20.33 H new ATOM 0 HG2 PRO A 19 9.368 -8.522 -6.597 1.00 40.41 H new ATOM 0 HG3 PRO A 19 10.708 -9.167 -7.523 1.00 40.41 H new ATOM 0 HD2 PRO A 19 8.031 -9.592 -8.162 1.00 63.11 H new ATOM 0 HD3 PRO A 19 9.340 -10.622 -8.706 1.00 63.11 H new ATOM 296 N GLY A 20 7.740 -11.118 -3.429 1.00 12.35 N ATOM 297 CA GLY A 20 6.858 -10.541 -2.417 1.00 24.44 C ATOM 298 C GLY A 20 7.518 -9.419 -1.614 1.00 64.01 C ATOM 299 O GLY A 20 7.819 -9.586 -0.429 1.00 44.11 O ATOM 0 H GLY A 20 8.148 -12.018 -3.175 1.00 12.35 H new ATOM 0 HA2 GLY A 20 5.962 -10.154 -2.903 1.00 24.44 H new ATOM 0 HA3 GLY A 20 6.536 -11.327 -1.734 1.00 24.44 H new ATOM 303 N ALA A 21 7.741 -8.276 -2.260 1.00 1.14 N ATOM 304 CA ALA A 21 8.390 -7.124 -1.616 1.00 54.41 C ATOM 305 C ALA A 21 7.777 -5.790 -2.083 1.00 32.41 C ATOM 306 O ALA A 21 7.032 -5.744 -3.064 1.00 5.44 O ATOM 307 CB ALA A 21 9.893 -7.144 -1.892 1.00 74.03 C ATOM 0 H ALA A 21 7.482 -8.118 -3.234 1.00 1.14 H new ATOM 0 HA ALA A 21 8.222 -7.205 -0.542 1.00 54.41 H new ATOM 0 HB1 ALA A 21 10.363 -6.286 -1.410 1.00 74.03 H new ATOM 0 HB2 ALA A 21 10.323 -8.064 -1.496 1.00 74.03 H new ATOM 0 HB3 ALA A 21 10.066 -7.096 -2.967 1.00 74.03 H new ATOM 313 N LEU A 22 8.099 -4.706 -1.376 1.00 32.51 N ATOM 314 CA LEU A 22 7.553 -3.374 -1.690 1.00 4.02 C ATOM 315 C LEU A 22 8.645 -2.385 -2.140 1.00 12.45 C ATOM 316 O LEU A 22 9.826 -2.542 -1.806 1.00 11.54 O ATOM 317 CB LEU A 22 6.837 -2.798 -0.459 1.00 72.20 C ATOM 318 CG LEU A 22 5.616 -3.586 0.028 1.00 42.13 C ATOM 319 CD1 LEU A 22 5.068 -2.974 1.311 1.00 70.55 C ATOM 320 CD2 LEU A 22 4.534 -3.639 -1.051 1.00 35.35 C ATOM 0 H LEU A 22 8.736 -4.719 -0.579 1.00 32.51 H new ATOM 0 HA LEU A 22 6.852 -3.503 -2.515 1.00 4.02 H new ATOM 0 HB2 LEU A 22 7.555 -2.733 0.359 1.00 72.20 H new ATOM 0 HB3 LEU A 22 6.522 -1.780 -0.688 1.00 72.20 H new ATOM 0 HG LEU A 22 5.930 -4.608 0.238 1.00 42.13 H new ATOM 0 HD11 LEU A 22 4.201 -3.544 1.645 1.00 70.55 H new ATOM 0 HD12 LEU A 22 5.837 -2.998 2.083 1.00 70.55 H new ATOM 0 HD13 LEU A 22 4.773 -1.941 1.124 1.00 70.55 H new ATOM 0 HD21 LEU A 22 3.678 -4.204 -0.681 1.00 35.35 H new ATOM 0 HD22 LEU A 22 4.219 -2.626 -1.301 1.00 35.35 H new ATOM 0 HD23 LEU A 22 4.932 -4.125 -1.942 1.00 35.35 H new ATOM 332 N PRO A 23 8.260 -1.347 -2.911 1.00 41.43 N ATOM 333 CA PRO A 23 9.151 -0.243 -3.269 1.00 72.25 C ATOM 334 C PRO A 23 9.159 0.858 -2.190 1.00 74.21 C ATOM 335 O PRO A 23 8.155 1.088 -1.519 1.00 3.24 O ATOM 336 CB PRO A 23 8.552 0.291 -4.588 1.00 73.32 C ATOM 337 CG PRO A 23 7.243 -0.428 -4.788 1.00 42.51 C ATOM 338 CD PRO A 23 6.932 -1.158 -3.506 1.00 15.11 C ATOM 0 HA PRO A 23 10.189 -0.563 -3.363 1.00 72.25 H new ATOM 0 HB2 PRO A 23 8.398 1.369 -4.535 1.00 73.32 H new ATOM 0 HB3 PRO A 23 9.227 0.106 -5.423 1.00 73.32 H new ATOM 0 HG2 PRO A 23 6.449 0.279 -5.030 1.00 42.51 H new ATOM 0 HG3 PRO A 23 7.312 -1.127 -5.621 1.00 42.51 H new ATOM 0 HD2 PRO A 23 6.277 -0.576 -2.858 1.00 15.11 H new ATOM 0 HD3 PRO A 23 6.433 -2.109 -3.693 1.00 15.11 H new ATOM 346 N ALA A 24 10.286 1.547 -2.036 1.00 41.43 N ATOM 347 CA ALA A 24 10.411 2.606 -1.023 1.00 54.21 C ATOM 348 C ALA A 24 9.669 3.890 -1.433 1.00 22.21 C ATOM 349 O ALA A 24 9.490 4.802 -0.625 1.00 24.35 O ATOM 350 CB ALA A 24 11.881 2.905 -0.753 1.00 41.40 C ATOM 0 H ALA A 24 11.126 1.397 -2.594 1.00 41.43 H new ATOM 0 HA ALA A 24 9.944 2.241 -0.108 1.00 54.21 H new ATOM 0 HB1 ALA A 24 11.960 3.691 -0.001 1.00 41.40 H new ATOM 0 HB2 ALA A 24 12.375 2.004 -0.390 1.00 41.40 H new ATOM 0 HB3 ALA A 24 12.360 3.235 -1.675 1.00 41.40 H new ATOM 356 N ASN A 25 9.222 3.943 -2.687 1.00 30.20 N ATOM 357 CA ASN A 25 8.541 5.128 -3.236 1.00 53.04 C ATOM 358 C ASN A 25 7.027 5.141 -2.923 1.00 61.30 C ATOM 359 O ASN A 25 6.245 5.733 -3.665 1.00 13.11 O ATOM 360 CB ASN A 25 8.752 5.171 -4.755 1.00 12.13 C ATOM 361 CG ASN A 25 10.222 5.206 -5.134 1.00 42.34 C ATOM 362 OD1 ASN A 25 10.868 4.169 -5.272 1.00 24.41 O ATOM 363 ND2 ASN A 25 10.766 6.396 -5.314 1.00 64.32 N ATOM 0 H ASN A 25 9.318 3.175 -3.351 1.00 30.20 H new ATOM 0 HA ASN A 25 8.975 6.008 -2.761 1.00 53.04 H new ATOM 0 HB2 ASN A 25 8.283 4.298 -5.209 1.00 12.13 H new ATOM 0 HB3 ASN A 25 8.253 6.050 -5.164 1.00 12.13 H new ATOM 0 HD21 ASN A 25 11.749 6.473 -5.575 1.00 64.32 H new ATOM 0 HD22 ASN A 25 10.203 7.238 -5.192 1.00 64.32 H new ATOM 370 N LEU A 26 6.626 4.527 -1.807 1.00 74.24 N ATOM 371 CA LEU A 26 5.202 4.423 -1.444 1.00 51.43 C ATOM 372 C LEU A 26 4.517 5.801 -1.329 1.00 51.44 C ATOM 373 O LEU A 26 3.589 6.100 -2.080 1.00 21.32 O ATOM 374 CB LEU A 26 5.038 3.639 -0.131 1.00 71.21 C ATOM 375 CG LEU A 26 5.488 2.166 -0.185 1.00 52.50 C ATOM 376 CD1 LEU A 26 5.275 1.478 1.161 1.00 62.11 C ATOM 377 CD2 LEU A 26 4.754 1.416 -1.295 1.00 63.21 C ATOM 0 H LEU A 26 7.262 4.094 -1.138 1.00 74.24 H new ATOM 0 HA LEU A 26 4.708 3.885 -2.253 1.00 51.43 H new ATOM 0 HB2 LEU A 26 5.604 4.147 0.650 1.00 71.21 H new ATOM 0 HB3 LEU A 26 3.989 3.671 0.164 1.00 71.21 H new ATOM 0 HG LEU A 26 6.555 2.149 -0.407 1.00 52.50 H new ATOM 0 HD11 LEU A 26 5.601 0.440 1.095 1.00 62.11 H new ATOM 0 HD12 LEU A 26 5.854 1.992 1.928 1.00 62.11 H new ATOM 0 HD13 LEU A 26 4.217 1.510 1.423 1.00 62.11 H new ATOM 0 HD21 LEU A 26 5.087 0.378 -1.315 1.00 63.21 H new ATOM 0 HD22 LEU A 26 3.681 1.449 -1.108 1.00 63.21 H new ATOM 0 HD23 LEU A 26 4.970 1.885 -2.255 1.00 63.21 H new ATOM 389 N ASP A 27 4.974 6.641 -0.399 1.00 51.24 N ATOM 390 CA ASP A 27 4.367 7.967 -0.208 1.00 34.30 C ATOM 391 C ASP A 27 4.714 8.909 -1.374 1.00 70.24 C ATOM 392 O ASP A 27 4.036 9.916 -1.602 1.00 44.44 O ATOM 393 CB ASP A 27 4.804 8.582 1.128 1.00 40.44 C ATOM 394 CG ASP A 27 4.070 9.885 1.434 1.00 30.42 C ATOM 395 OD1 ASP A 27 2.868 9.834 1.780 1.00 21.33 O ATOM 396 OD2 ASP A 27 4.682 10.965 1.305 1.00 30.10 O ATOM 0 H ASP A 27 5.752 6.435 0.228 1.00 51.24 H new ATOM 0 HA ASP A 27 3.285 7.836 -0.188 1.00 34.30 H new ATOM 0 HB2 ASP A 27 4.622 7.868 1.931 1.00 40.44 H new ATOM 0 HB3 ASP A 27 5.878 8.769 1.105 1.00 40.44 H new ATOM 401 N ASP A 28 5.776 8.582 -2.105 1.00 51.21 N ATOM 402 CA ASP A 28 6.153 9.332 -3.305 1.00 33.12 C ATOM 403 C ASP A 28 5.113 9.141 -4.422 1.00 0.23 C ATOM 404 O ASP A 28 4.923 10.022 -5.263 1.00 73.24 O ATOM 405 CB ASP A 28 7.540 8.897 -3.781 1.00 72.34 C ATOM 406 CG ASP A 28 8.592 9.101 -2.706 1.00 12.23 C ATOM 407 OD1 ASP A 28 8.710 8.239 -1.811 1.00 3.32 O ATOM 408 OD2 ASP A 28 9.312 10.121 -2.746 1.00 12.21 O ATOM 0 H ASP A 28 6.394 7.800 -1.888 1.00 51.21 H new ATOM 0 HA ASP A 28 6.184 10.392 -3.054 1.00 33.12 H new ATOM 0 HB2 ASP A 28 7.513 7.846 -4.069 1.00 72.34 H new ATOM 0 HB3 ASP A 28 7.814 9.464 -4.671 1.00 72.34 H new ATOM 413 N MET A 29 4.446 7.987 -4.425 1.00 40.44 N ATOM 414 CA MET A 29 3.314 7.752 -5.327 1.00 31.12 C ATOM 415 C MET A 29 2.020 8.336 -4.734 1.00 61.14 C ATOM 416 O MET A 29 1.958 8.649 -3.545 1.00 34.45 O ATOM 417 CB MET A 29 3.138 6.251 -5.604 1.00 62.24 C ATOM 418 CG MET A 29 4.348 5.602 -6.263 1.00 63.32 C ATOM 419 SD MET A 29 4.032 3.902 -6.782 1.00 5.25 S ATOM 420 CE MET A 29 3.518 3.156 -5.237 1.00 21.43 C ATOM 0 H MET A 29 4.668 7.200 -3.815 1.00 40.44 H new ATOM 0 HA MET A 29 3.525 8.255 -6.271 1.00 31.12 H new ATOM 0 HB2 MET A 29 2.930 5.740 -4.664 1.00 62.24 H new ATOM 0 HB3 MET A 29 2.267 6.109 -6.244 1.00 62.24 H new ATOM 0 HG2 MET A 29 4.645 6.193 -7.130 1.00 63.32 H new ATOM 0 HG3 MET A 29 5.186 5.615 -5.566 1.00 63.32 H new ATOM 0 HE1 MET A 29 3.931 2.150 -5.164 1.00 21.43 H new ATOM 0 HE2 MET A 29 3.880 3.759 -4.404 1.00 21.43 H new ATOM 0 HE3 MET A 29 2.430 3.105 -5.202 1.00 21.43 H new ATOM 430 N LYS A 30 0.994 8.485 -5.562 1.00 61.44 N ATOM 431 CA LYS A 30 -0.272 9.091 -5.124 1.00 45.11 C ATOM 432 C LYS A 30 -1.235 8.066 -4.496 1.00 30.30 C ATOM 433 O LYS A 30 -1.061 6.852 -4.632 1.00 20.12 O ATOM 434 CB LYS A 30 -0.947 9.799 -6.306 1.00 65.14 C ATOM 435 CG LYS A 30 -0.148 10.987 -6.844 1.00 13.03 C ATOM 436 CD LYS A 30 -0.821 11.644 -8.050 1.00 63.11 C ATOM 437 CE LYS A 30 -2.225 12.142 -7.726 1.00 45.23 C ATOM 438 NZ LYS A 30 -2.832 12.878 -8.869 1.00 42.05 N ATOM 0 H LYS A 30 1.006 8.197 -6.541 1.00 61.44 H new ATOM 0 HA LYS A 30 -0.032 9.816 -4.347 1.00 45.11 H new ATOM 0 HB2 LYS A 30 -1.100 9.080 -7.111 1.00 65.14 H new ATOM 0 HB3 LYS A 30 -1.933 10.145 -5.997 1.00 65.14 H new ATOM 0 HG2 LYS A 30 -0.024 11.726 -6.053 1.00 13.03 H new ATOM 0 HG3 LYS A 30 0.850 10.652 -7.126 1.00 13.03 H new ATOM 0 HD2 LYS A 30 -0.211 12.480 -8.393 1.00 63.11 H new ATOM 0 HD3 LYS A 30 -0.872 10.928 -8.870 1.00 63.11 H new ATOM 0 HE2 LYS A 30 -2.858 11.295 -7.462 1.00 45.23 H new ATOM 0 HE3 LYS A 30 -2.186 12.795 -6.854 1.00 45.23 H new ATOM 0 HZ1 LYS A 30 -3.786 13.200 -8.608 1.00 42.05 H new ATOM 0 HZ2 LYS A 30 -2.242 13.701 -9.105 1.00 42.05 H new ATOM 0 HZ3 LYS A 30 -2.893 12.248 -9.694 1.00 42.05 H new ATOM 452 N VAL A 31 -2.269 8.579 -3.824 1.00 42.41 N ATOM 453 CA VAL A 31 -3.261 7.744 -3.121 1.00 32.42 C ATOM 454 C VAL A 31 -3.874 6.672 -4.043 1.00 40.05 C ATOM 455 O VAL A 31 -3.953 5.495 -3.683 1.00 25.44 O ATOM 456 CB VAL A 31 -4.398 8.626 -2.533 1.00 62.32 C ATOM 457 CG1 VAL A 31 -5.439 7.784 -1.796 1.00 1.32 C ATOM 458 CG2 VAL A 31 -3.822 9.709 -1.620 1.00 2.35 C ATOM 0 H VAL A 31 -2.447 9.581 -3.749 1.00 42.41 H new ATOM 0 HA VAL A 31 -2.732 7.237 -2.314 1.00 32.42 H new ATOM 0 HB VAL A 31 -4.905 9.113 -3.366 1.00 62.32 H new ATOM 0 HG11 VAL A 31 -6.218 8.435 -1.399 1.00 1.32 H new ATOM 0 HG12 VAL A 31 -5.882 7.067 -2.487 1.00 1.32 H new ATOM 0 HG13 VAL A 31 -4.960 7.249 -0.976 1.00 1.32 H new ATOM 0 HG21 VAL A 31 -4.634 10.316 -1.218 1.00 2.35 H new ATOM 0 HG22 VAL A 31 -3.278 9.241 -0.799 1.00 2.35 H new ATOM 0 HG23 VAL A 31 -3.143 10.343 -2.191 1.00 2.35 H new ATOM 468 N ALA A 32 -4.299 7.089 -5.234 1.00 4.35 N ATOM 469 CA ALA A 32 -4.912 6.182 -6.212 1.00 50.42 C ATOM 470 C ALA A 32 -3.951 5.063 -6.650 1.00 52.52 C ATOM 471 O ALA A 32 -4.384 3.975 -7.042 1.00 50.14 O ATOM 472 CB ALA A 32 -5.382 6.973 -7.427 1.00 60.10 C ATOM 0 H ALA A 32 -4.231 8.056 -5.550 1.00 4.35 H new ATOM 0 HA ALA A 32 -5.765 5.706 -5.729 1.00 50.42 H new ATOM 0 HB1 ALA A 32 -5.836 6.295 -8.149 1.00 60.10 H new ATOM 0 HB2 ALA A 32 -6.116 7.716 -7.116 1.00 60.10 H new ATOM 0 HB3 ALA A 32 -4.530 7.475 -7.886 1.00 60.10 H new ATOM 478 N GLU A 33 -2.648 5.336 -6.588 1.00 53.02 N ATOM 479 CA GLU A 33 -1.628 4.352 -6.980 1.00 2.20 C ATOM 480 C GLU A 33 -1.402 3.312 -5.875 1.00 63.44 C ATOM 481 O GLU A 33 -1.235 2.123 -6.147 1.00 72.04 O ATOM 482 CB GLU A 33 -0.309 5.063 -7.322 1.00 21.31 C ATOM 483 CG GLU A 33 -0.445 6.070 -8.458 1.00 14.34 C ATOM 484 CD GLU A 33 0.865 6.741 -8.841 1.00 1.35 C ATOM 485 OE1 GLU A 33 1.654 6.134 -9.596 1.00 53.03 O ATOM 486 OE2 GLU A 33 1.105 7.891 -8.412 1.00 41.11 O ATOM 0 H GLU A 33 -2.270 6.229 -6.271 1.00 53.02 H new ATOM 0 HA GLU A 33 -1.989 3.827 -7.864 1.00 2.20 H new ATOM 0 HB2 GLU A 33 0.061 5.575 -6.434 1.00 21.31 H new ATOM 0 HB3 GLU A 33 0.438 4.317 -7.594 1.00 21.31 H new ATOM 0 HG2 GLU A 33 -0.853 5.564 -9.333 1.00 14.34 H new ATOM 0 HG3 GLU A 33 -1.164 6.836 -8.168 1.00 14.34 H new ATOM 493 N LEU A 34 -1.405 3.762 -4.625 1.00 35.43 N ATOM 494 CA LEU A 34 -1.254 2.856 -3.483 1.00 71.13 C ATOM 495 C LEU A 34 -2.465 1.917 -3.348 1.00 44.55 C ATOM 496 O LEU A 34 -2.311 0.730 -3.060 1.00 22.33 O ATOM 497 CB LEU A 34 -1.056 3.656 -2.191 1.00 43.22 C ATOM 498 CG LEU A 34 0.245 4.472 -2.118 1.00 20.32 C ATOM 499 CD1 LEU A 34 0.314 5.270 -0.816 1.00 63.43 C ATOM 500 CD2 LEU A 34 1.459 3.554 -2.260 1.00 33.44 C ATOM 0 H LEU A 34 -1.510 4.745 -4.373 1.00 35.43 H new ATOM 0 HA LEU A 34 -0.371 2.241 -3.659 1.00 71.13 H new ATOM 0 HB2 LEU A 34 -1.899 4.336 -2.071 1.00 43.22 H new ATOM 0 HB3 LEU A 34 -1.081 2.966 -1.348 1.00 43.22 H new ATOM 0 HG LEU A 34 0.253 5.181 -2.946 1.00 20.32 H new ATOM 0 HD11 LEU A 34 1.243 5.839 -0.787 1.00 63.43 H new ATOM 0 HD12 LEU A 34 -0.533 5.954 -0.763 1.00 63.43 H new ATOM 0 HD13 LEU A 34 0.281 4.586 0.032 1.00 63.43 H new ATOM 0 HD21 LEU A 34 2.372 4.147 -2.206 1.00 33.44 H new ATOM 0 HD22 LEU A 34 1.456 2.819 -1.455 1.00 33.44 H new ATOM 0 HD23 LEU A 34 1.416 3.040 -3.220 1.00 33.44 H new ATOM 512 N LYS A 35 -3.668 2.454 -3.558 1.00 30.34 N ATOM 513 CA LYS A 35 -4.886 1.634 -3.537 1.00 24.10 C ATOM 514 C LYS A 35 -4.847 0.551 -4.629 1.00 32.00 C ATOM 515 O LYS A 35 -5.415 -0.532 -4.467 1.00 12.33 O ATOM 516 CB LYS A 35 -6.136 2.514 -3.680 1.00 13.33 C ATOM 517 CG LYS A 35 -6.353 3.443 -2.485 1.00 44.31 C ATOM 518 CD LYS A 35 -7.696 4.167 -2.532 1.00 63.12 C ATOM 519 CE LYS A 35 -7.928 4.988 -1.264 1.00 41.35 C ATOM 520 NZ LYS A 35 -9.275 5.610 -1.236 1.00 35.13 N ATOM 0 H LYS A 35 -3.827 3.444 -3.743 1.00 30.34 H new ATOM 0 HA LYS A 35 -4.934 1.129 -2.572 1.00 24.10 H new ATOM 0 HB2 LYS A 35 -6.051 3.112 -4.587 1.00 13.33 H new ATOM 0 HB3 LYS A 35 -7.011 1.876 -3.800 1.00 13.33 H new ATOM 0 HG2 LYS A 35 -6.291 2.863 -1.564 1.00 44.31 H new ATOM 0 HG3 LYS A 35 -5.550 4.179 -2.453 1.00 44.31 H new ATOM 0 HD2 LYS A 35 -7.729 4.822 -3.403 1.00 63.12 H new ATOM 0 HD3 LYS A 35 -8.500 3.440 -2.649 1.00 63.12 H new ATOM 0 HE2 LYS A 35 -7.808 4.346 -0.391 1.00 41.35 H new ATOM 0 HE3 LYS A 35 -7.169 5.767 -1.194 1.00 41.35 H new ATOM 0 HZ1 LYS A 35 -9.312 6.325 -0.482 1.00 35.13 H new ATOM 0 HZ2 LYS A 35 -9.467 6.063 -2.152 1.00 35.13 H new ATOM 0 HZ3 LYS A 35 -9.992 4.878 -1.055 1.00 35.13 H new ATOM 534 N GLN A 36 -4.170 0.844 -5.735 1.00 75.11 N ATOM 535 CA GLN A 36 -3.910 -0.166 -6.766 1.00 61.51 C ATOM 536 C GLN A 36 -3.062 -1.310 -6.184 1.00 54.24 C ATOM 537 O GLN A 36 -3.439 -2.481 -6.253 1.00 53.34 O ATOM 538 CB GLN A 36 -3.182 0.473 -7.956 1.00 3.43 C ATOM 539 CG GLN A 36 -2.838 -0.505 -9.082 1.00 15.44 C ATOM 540 CD GLN A 36 -1.419 -0.328 -9.600 1.00 34.30 C ATOM 541 OE1 GLN A 36 -0.836 -1.393 -10.106 1.00 34.51 O flip ATOM 542 NE2 GLN A 36 -0.856 0.760 -9.561 1.00 21.50 N flip ATOM 0 H GLN A 36 -3.791 1.768 -5.944 1.00 75.11 H new ATOM 0 HA GLN A 36 -4.862 -0.572 -7.109 1.00 61.51 H new ATOM 0 HB2 GLN A 36 -3.804 1.271 -8.361 1.00 3.43 H new ATOM 0 HB3 GLN A 36 -2.262 0.936 -7.598 1.00 3.43 H new ATOM 0 HG2 GLN A 36 -2.964 -1.526 -8.722 1.00 15.44 H new ATOM 0 HG3 GLN A 36 -3.540 -0.368 -9.904 1.00 15.44 H new ATOM 0 HE21 GLN A 36 -1.334 1.568 -9.162 1.00 21.50 H new ATOM 0 HE22 GLN A 36 0.091 0.858 -9.927 1.00 21.50 H new ATOM 551 N GLU A 37 -1.921 -0.949 -5.597 1.00 24.30 N ATOM 552 CA GLU A 37 -1.027 -1.917 -4.948 1.00 62.33 C ATOM 553 C GLU A 37 -1.739 -2.709 -3.835 1.00 20.34 C ATOM 554 O GLU A 37 -1.336 -3.827 -3.500 1.00 23.43 O ATOM 555 CB GLU A 37 0.201 -1.190 -4.379 1.00 53.51 C ATOM 556 CG GLU A 37 1.212 -0.758 -5.439 1.00 21.53 C ATOM 557 CD GLU A 37 1.906 -1.941 -6.103 1.00 54.41 C ATOM 558 OE1 GLU A 37 2.772 -2.567 -5.452 1.00 4.40 O ATOM 559 OE2 GLU A 37 1.589 -2.256 -7.268 1.00 34.13 O ATOM 0 H GLU A 37 -1.589 0.015 -5.556 1.00 24.30 H new ATOM 0 HA GLU A 37 -0.711 -2.635 -5.705 1.00 62.33 H new ATOM 0 HB2 GLU A 37 -0.133 -0.310 -3.829 1.00 53.51 H new ATOM 0 HB3 GLU A 37 0.698 -1.844 -3.662 1.00 53.51 H new ATOM 0 HG2 GLU A 37 0.704 -0.165 -6.200 1.00 21.53 H new ATOM 0 HG3 GLU A 37 1.961 -0.113 -4.980 1.00 21.53 H new ATOM 566 N LEU A 38 -2.776 -2.118 -3.246 1.00 40.14 N ATOM 567 CA LEU A 38 -3.593 -2.814 -2.249 1.00 44.22 C ATOM 568 C LEU A 38 -4.482 -3.885 -2.896 1.00 1.12 C ATOM 569 O LEU A 38 -4.420 -5.064 -2.535 1.00 4.33 O ATOM 570 CB LEU A 38 -4.473 -1.816 -1.484 1.00 43.14 C ATOM 571 CG LEU A 38 -3.728 -0.850 -0.551 1.00 34.23 C ATOM 572 CD1 LEU A 38 -4.689 0.185 0.015 1.00 3.21 C ATOM 573 CD2 LEU A 38 -3.044 -1.607 0.585 1.00 52.43 C ATOM 0 H LEU A 38 -3.072 -1.161 -3.440 1.00 40.14 H new ATOM 0 HA LEU A 38 -2.910 -3.305 -1.556 1.00 44.22 H new ATOM 0 HB2 LEU A 38 -5.038 -1.229 -2.208 1.00 43.14 H new ATOM 0 HB3 LEU A 38 -5.197 -2.377 -0.893 1.00 43.14 H new ATOM 0 HG LEU A 38 -2.961 -0.340 -1.134 1.00 34.23 H new ATOM 0 HD11 LEU A 38 -4.147 0.863 0.674 1.00 3.21 H new ATOM 0 HD12 LEU A 38 -5.135 0.753 -0.802 1.00 3.21 H new ATOM 0 HD13 LEU A 38 -5.475 -0.318 0.578 1.00 3.21 H new ATOM 0 HD21 LEU A 38 -2.523 -0.900 1.231 1.00 52.43 H new ATOM 0 HD22 LEU A 38 -3.793 -2.146 1.165 1.00 52.43 H new ATOM 0 HD23 LEU A 38 -2.327 -2.315 0.170 1.00 52.43 H new ATOM 585 N LYS A 39 -5.310 -3.473 -3.853 1.00 21.42 N ATOM 586 CA LYS A 39 -6.276 -4.381 -4.485 1.00 61.52 C ATOM 587 C LYS A 39 -5.586 -5.547 -5.216 1.00 61.32 C ATOM 588 O LYS A 39 -6.139 -6.646 -5.298 1.00 54.44 O ATOM 589 CB LYS A 39 -7.195 -3.607 -5.440 1.00 11.43 C ATOM 590 CG LYS A 39 -6.478 -2.943 -6.608 1.00 34.30 C ATOM 591 CD LYS A 39 -7.425 -2.060 -7.415 1.00 30.43 C ATOM 592 CE LYS A 39 -8.003 -0.931 -6.565 1.00 20.40 C ATOM 593 NZ LYS A 39 -8.956 -0.089 -7.334 1.00 22.12 N ATOM 0 H LYS A 39 -5.335 -2.518 -4.211 1.00 21.42 H new ATOM 0 HA LYS A 39 -6.881 -4.817 -3.690 1.00 61.52 H new ATOM 0 HB2 LYS A 39 -7.947 -4.291 -5.833 1.00 11.43 H new ATOM 0 HB3 LYS A 39 -7.725 -2.842 -4.873 1.00 11.43 H new ATOM 0 HG2 LYS A 39 -5.649 -2.343 -6.234 1.00 34.30 H new ATOM 0 HG3 LYS A 39 -6.050 -3.708 -7.256 1.00 34.30 H new ATOM 0 HD2 LYS A 39 -6.892 -1.638 -8.267 1.00 30.43 H new ATOM 0 HD3 LYS A 39 -8.237 -2.667 -7.815 1.00 30.43 H new ATOM 0 HE2 LYS A 39 -8.510 -1.353 -5.697 1.00 20.40 H new ATOM 0 HE3 LYS A 39 -7.191 -0.309 -6.188 1.00 20.40 H new ATOM 0 HZ1 LYS A 39 -9.325 0.665 -6.721 1.00 22.12 H new ATOM 0 HZ2 LYS A 39 -8.466 0.335 -8.148 1.00 22.12 H new ATOM 0 HZ3 LYS A 39 -9.744 -0.677 -7.672 1.00 22.12 H new ATOM 607 N LEU A 40 -4.372 -5.317 -5.728 1.00 73.23 N ATOM 608 CA LEU A 40 -3.578 -6.391 -6.348 1.00 25.02 C ATOM 609 C LEU A 40 -3.324 -7.553 -5.367 1.00 21.52 C ATOM 610 O LEU A 40 -3.107 -8.691 -5.779 1.00 52.24 O ATOM 611 CB LEU A 40 -2.228 -5.849 -6.851 1.00 43.42 C ATOM 612 CG LEU A 40 -2.296 -4.865 -8.030 1.00 11.04 C ATOM 613 CD1 LEU A 40 -0.890 -4.421 -8.429 1.00 72.21 C ATOM 614 CD2 LEU A 40 -3.029 -5.491 -9.218 1.00 53.43 C ATOM 0 H LEU A 40 -3.917 -4.404 -5.727 1.00 73.23 H new ATOM 0 HA LEU A 40 -4.157 -6.769 -7.190 1.00 25.02 H new ATOM 0 HB2 LEU A 40 -1.724 -5.356 -6.020 1.00 43.42 H new ATOM 0 HB3 LEU A 40 -1.606 -6.694 -7.144 1.00 43.42 H new ATOM 0 HG LEU A 40 -2.859 -3.986 -7.716 1.00 11.04 H new ATOM 0 HD11 LEU A 40 -0.952 -3.724 -9.265 1.00 72.21 H new ATOM 0 HD12 LEU A 40 -0.409 -3.930 -7.583 1.00 72.21 H new ATOM 0 HD13 LEU A 40 -0.304 -5.291 -8.725 1.00 72.21 H new ATOM 0 HD21 LEU A 40 -3.065 -4.777 -10.041 1.00 53.43 H new ATOM 0 HD22 LEU A 40 -2.501 -6.389 -9.540 1.00 53.43 H new ATOM 0 HD23 LEU A 40 -4.044 -5.754 -8.921 1.00 53.43 H new ATOM 626 N ARG A 41 -3.346 -7.252 -4.070 1.00 54.51 N ATOM 627 CA ARG A 41 -3.090 -8.253 -3.027 1.00 70.24 C ATOM 628 C ARG A 41 -4.275 -8.378 -2.053 1.00 14.10 C ATOM 629 O ARG A 41 -4.109 -8.808 -0.909 1.00 62.43 O ATOM 630 CB ARG A 41 -1.798 -7.892 -2.280 1.00 34.24 C ATOM 631 CG ARG A 41 -0.535 -8.190 -3.086 1.00 61.04 C ATOM 632 CD ARG A 41 0.684 -7.462 -2.541 1.00 11.02 C ATOM 633 NE ARG A 41 0.617 -6.024 -2.803 1.00 51.45 N ATOM 634 CZ ARG A 41 1.534 -5.348 -3.446 1.00 24.23 C ATOM 635 NH1 ARG A 41 2.599 -5.932 -3.894 1.00 24.51 N ATOM 636 NH2 ARG A 41 1.372 -4.084 -3.647 1.00 31.21 N ATOM 0 H ARG A 41 -3.540 -6.317 -3.711 1.00 54.51 H new ATOM 0 HA ARG A 41 -2.970 -9.226 -3.503 1.00 70.24 H new ATOM 0 HB2 ARG A 41 -1.817 -6.832 -2.025 1.00 34.24 H new ATOM 0 HB3 ARG A 41 -1.762 -8.445 -1.342 1.00 34.24 H new ATOM 0 HG2 ARG A 41 -0.347 -9.264 -3.079 1.00 61.04 H new ATOM 0 HG3 ARG A 41 -0.693 -7.901 -4.125 1.00 61.04 H new ATOM 0 HD2 ARG A 41 0.760 -7.633 -1.467 1.00 11.02 H new ATOM 0 HD3 ARG A 41 1.586 -7.873 -2.994 1.00 11.02 H new ATOM 0 HE ARG A 41 -0.198 -5.515 -2.462 1.00 51.45 H new ATOM 0 HH11 ARG A 41 2.732 -6.933 -3.747 1.00 24.51 H new ATOM 0 HH12 ARG A 41 3.305 -5.391 -4.394 1.00 24.51 H new ATOM 0 HH21 ARG A 41 0.532 -3.617 -3.305 1.00 31.21 H new ATOM 0 HH22 ARG A 41 2.084 -3.552 -4.148 1.00 31.21 H new ATOM 650 N SER A 42 -5.470 -8.014 -2.525 1.00 25.22 N ATOM 651 CA SER A 42 -6.717 -8.177 -1.754 1.00 12.13 C ATOM 652 C SER A 42 -6.714 -7.350 -0.454 1.00 73.32 C ATOM 653 O SER A 42 -7.300 -7.752 0.556 1.00 23.33 O ATOM 654 CB SER A 42 -6.956 -9.663 -1.437 1.00 13.13 C ATOM 655 OG SER A 42 -8.229 -9.869 -0.843 1.00 33.44 O ATOM 0 H SER A 42 -5.606 -7.600 -3.447 1.00 25.22 H new ATOM 0 HA SER A 42 -7.531 -7.802 -2.374 1.00 12.13 H new ATOM 0 HB2 SER A 42 -6.882 -10.248 -2.353 1.00 13.13 H new ATOM 0 HB3 SER A 42 -6.177 -10.023 -0.765 1.00 13.13 H new ATOM 0 HG SER A 42 -8.338 -9.259 -0.084 1.00 33.44 H new ATOM 661 N LEU A 43 -6.072 -6.188 -0.490 1.00 52.51 N ATOM 662 CA LEU A 43 -6.017 -5.285 0.669 1.00 63.54 C ATOM 663 C LEU A 43 -7.089 -4.180 0.579 1.00 41.51 C ATOM 664 O LEU A 43 -7.444 -3.734 -0.515 1.00 21.14 O ATOM 665 CB LEU A 43 -4.614 -4.670 0.769 1.00 64.22 C ATOM 666 CG LEU A 43 -3.499 -5.644 1.191 1.00 11.22 C ATOM 667 CD1 LEU A 43 -2.119 -5.033 0.958 1.00 15.03 C ATOM 668 CD2 LEU A 43 -3.663 -6.031 2.657 1.00 45.23 C ATOM 0 H LEU A 43 -5.577 -5.841 -1.312 1.00 52.51 H new ATOM 0 HA LEU A 43 -6.226 -5.864 1.569 1.00 63.54 H new ATOM 0 HB2 LEU A 43 -4.353 -4.242 -0.199 1.00 64.22 H new ATOM 0 HB3 LEU A 43 -4.646 -3.848 1.484 1.00 64.22 H new ATOM 0 HG LEU A 43 -3.582 -6.540 0.576 1.00 11.22 H new ATOM 0 HD11 LEU A 43 -1.350 -5.742 1.265 1.00 15.03 H new ATOM 0 HD12 LEU A 43 -1.998 -4.801 -0.100 1.00 15.03 H new ATOM 0 HD13 LEU A 43 -2.023 -4.118 1.543 1.00 15.03 H new ATOM 0 HD21 LEU A 43 -2.868 -6.720 2.943 1.00 45.23 H new ATOM 0 HD22 LEU A 43 -3.608 -5.137 3.278 1.00 45.23 H new ATOM 0 HD23 LEU A 43 -4.630 -6.513 2.800 1.00 45.23 H new ATOM 680 N PRO A 44 -7.621 -3.727 1.737 1.00 20.10 N ATOM 681 CA PRO A 44 -8.687 -2.700 1.784 1.00 43.13 C ATOM 682 C PRO A 44 -8.243 -1.330 1.236 1.00 40.35 C ATOM 683 O PRO A 44 -7.292 -0.722 1.734 1.00 25.14 O ATOM 684 CB PRO A 44 -9.024 -2.603 3.283 1.00 41.25 C ATOM 685 CG PRO A 44 -7.812 -3.117 3.984 1.00 10.11 C ATOM 686 CD PRO A 44 -7.242 -4.183 3.088 1.00 71.40 C ATOM 0 HA PRO A 44 -9.533 -2.977 1.155 1.00 43.13 H new ATOM 0 HB2 PRO A 44 -9.242 -1.575 3.573 1.00 41.25 H new ATOM 0 HB3 PRO A 44 -9.904 -3.197 3.529 1.00 41.25 H new ATOM 0 HG2 PRO A 44 -7.089 -2.319 4.151 1.00 10.11 H new ATOM 0 HG3 PRO A 44 -8.069 -3.524 4.962 1.00 10.11 H new ATOM 0 HD2 PRO A 44 -6.160 -4.264 3.197 1.00 71.40 H new ATOM 0 HD3 PRO A 44 -7.660 -5.164 3.314 1.00 71.40 H new ATOM 694 N VAL A 45 -8.965 -0.837 0.228 1.00 74.33 N ATOM 695 CA VAL A 45 -8.634 0.432 -0.436 1.00 42.13 C ATOM 696 C VAL A 45 -9.493 1.603 0.091 1.00 23.32 C ATOM 697 O VAL A 45 -9.774 2.560 -0.638 1.00 63.45 O ATOM 698 CB VAL A 45 -8.823 0.305 -1.973 1.00 53.23 C ATOM 699 CG1 VAL A 45 -7.909 -0.776 -2.542 1.00 50.32 C ATOM 700 CG2 VAL A 45 -10.283 0.014 -2.331 1.00 73.51 C ATOM 0 H VAL A 45 -9.791 -1.300 -0.151 1.00 74.33 H new ATOM 0 HA VAL A 45 -7.590 0.648 -0.209 1.00 42.13 H new ATOM 0 HB VAL A 45 -8.551 1.261 -2.421 1.00 53.23 H new ATOM 0 HG11 VAL A 45 -8.058 -0.848 -3.619 1.00 50.32 H new ATOM 0 HG12 VAL A 45 -6.870 -0.520 -2.335 1.00 50.32 H new ATOM 0 HG13 VAL A 45 -8.146 -1.734 -2.078 1.00 50.32 H new ATOM 0 HG21 VAL A 45 -10.383 -0.069 -3.413 1.00 73.51 H new ATOM 0 HG22 VAL A 45 -10.592 -0.922 -1.865 1.00 73.51 H new ATOM 0 HG23 VAL A 45 -10.915 0.825 -1.970 1.00 73.51 H new ATOM 710 N SER A 46 -9.880 1.539 1.364 1.00 13.25 N ATOM 711 CA SER A 46 -10.781 2.542 1.958 1.00 72.23 C ATOM 712 C SER A 46 -10.022 3.681 2.663 1.00 24.51 C ATOM 713 O SER A 46 -10.403 4.850 2.551 1.00 44.22 O ATOM 714 CB SER A 46 -11.727 1.865 2.959 1.00 75.43 C ATOM 715 OG SER A 46 -10.999 1.223 3.997 1.00 24.14 O ATOM 0 H SER A 46 -9.587 0.805 2.009 1.00 13.25 H new ATOM 0 HA SER A 46 -11.347 2.985 1.138 1.00 72.23 H new ATOM 0 HB2 SER A 46 -12.400 2.608 3.388 1.00 75.43 H new ATOM 0 HB3 SER A 46 -12.348 1.134 2.440 1.00 75.43 H new ATOM 0 HG SER A 46 -11.624 0.801 4.622 1.00 24.14 H new ATOM 721 N GLY A 47 -8.957 3.341 3.387 1.00 42.24 N ATOM 722 CA GLY A 47 -8.241 4.324 4.201 1.00 72.51 C ATOM 723 C GLY A 47 -7.515 5.419 3.409 1.00 24.13 C ATOM 724 O GLY A 47 -7.548 5.452 2.174 1.00 73.41 O ATOM 0 H GLY A 47 -8.572 2.397 3.427 1.00 42.24 H new ATOM 0 HA2 GLY A 47 -8.951 4.798 4.879 1.00 72.51 H new ATOM 0 HA3 GLY A 47 -7.512 3.800 4.818 1.00 72.51 H new ATOM 728 N THR A 48 -6.847 6.313 4.144 1.00 53.44 N ATOM 729 CA THR A 48 -6.124 7.454 3.552 1.00 64.23 C ATOM 730 C THR A 48 -4.701 7.075 3.116 1.00 62.35 C ATOM 731 O THR A 48 -4.263 5.943 3.306 1.00 62.02 O ATOM 732 CB THR A 48 -6.013 8.634 4.554 1.00 22.10 C ATOM 733 OG1 THR A 48 -5.190 8.260 5.672 1.00 51.15 O ATOM 734 CG2 THR A 48 -7.386 9.063 5.057 1.00 72.20 C ATOM 0 H THR A 48 -6.789 6.271 5.162 1.00 53.44 H new ATOM 0 HA THR A 48 -6.705 7.752 2.679 1.00 64.23 H new ATOM 0 HB THR A 48 -5.558 9.474 4.029 1.00 22.10 H new ATOM 0 HG1 THR A 48 -5.125 9.012 6.297 1.00 51.15 H new ATOM 0 HG21 THR A 48 -7.275 9.891 5.757 1.00 72.20 H new ATOM 0 HG22 THR A 48 -8.000 9.381 4.214 1.00 72.20 H new ATOM 0 HG23 THR A 48 -7.867 8.225 5.561 1.00 72.20 H new ATOM 742 N LYS A 49 -3.982 8.055 2.560 1.00 14.32 N ATOM 743 CA LYS A 49 -2.594 7.879 2.091 1.00 50.33 C ATOM 744 C LYS A 49 -1.742 7.044 3.066 1.00 2.31 C ATOM 745 O LYS A 49 -1.206 5.995 2.698 1.00 33.24 O ATOM 746 CB LYS A 49 -1.946 9.259 1.900 1.00 3.41 C ATOM 747 CG LYS A 49 -0.532 9.221 1.324 1.00 60.14 C ATOM 748 CD LYS A 49 -0.532 8.819 -0.147 1.00 73.42 C ATOM 749 CE LYS A 49 0.866 8.876 -0.744 1.00 44.52 C ATOM 750 NZ LYS A 49 1.486 10.221 -0.596 1.00 51.01 N ATOM 0 H LYS A 49 -4.343 8.999 2.420 1.00 14.32 H new ATOM 0 HA LYS A 49 -2.633 7.336 1.147 1.00 50.33 H new ATOM 0 HB2 LYS A 49 -2.577 9.855 1.241 1.00 3.41 H new ATOM 0 HB3 LYS A 49 -1.919 9.770 2.862 1.00 3.41 H new ATOM 0 HG2 LYS A 49 -0.068 10.201 1.433 1.00 60.14 H new ATOM 0 HG3 LYS A 49 0.074 8.517 1.894 1.00 60.14 H new ATOM 0 HD2 LYS A 49 -0.931 7.810 -0.249 1.00 73.42 H new ATOM 0 HD3 LYS A 49 -1.194 9.481 -0.706 1.00 73.42 H new ATOM 0 HE2 LYS A 49 1.497 8.131 -0.259 1.00 44.52 H new ATOM 0 HE3 LYS A 49 0.819 8.614 -1.801 1.00 44.52 H new ATOM 0 HZ1 LYS A 49 2.311 10.294 -1.225 1.00 51.01 H new ATOM 0 HZ2 LYS A 49 0.792 10.953 -0.849 1.00 51.01 H new ATOM 0 HZ3 LYS A 49 1.788 10.357 0.390 1.00 51.01 H new ATOM 764 N THR A 50 -1.630 7.514 4.306 1.00 61.10 N ATOM 765 CA THR A 50 -0.819 6.838 5.326 1.00 71.44 C ATOM 766 C THR A 50 -1.330 5.415 5.603 1.00 73.14 C ATOM 767 O THR A 50 -0.542 4.485 5.790 1.00 32.41 O ATOM 768 CB THR A 50 -0.803 7.641 6.649 1.00 71.11 C ATOM 769 OG1 THR A 50 -0.454 9.011 6.388 1.00 73.21 O ATOM 770 CG2 THR A 50 0.186 7.045 7.646 1.00 22.25 C ATOM 0 H THR A 50 -2.091 8.363 4.633 1.00 61.10 H new ATOM 0 HA THR A 50 0.195 6.776 4.931 1.00 71.44 H new ATOM 0 HB THR A 50 -1.802 7.592 7.083 1.00 71.11 H new ATOM 0 HG1 THR A 50 -0.448 9.513 7.230 1.00 73.21 H new ATOM 0 HG21 THR A 50 0.174 7.631 8.565 1.00 22.25 H new ATOM 0 HG22 THR A 50 -0.097 6.016 7.868 1.00 22.25 H new ATOM 0 HG23 THR A 50 1.188 7.061 7.218 1.00 22.25 H new ATOM 778 N GLU A 51 -2.655 5.249 5.606 1.00 52.24 N ATOM 779 CA GLU A 51 -3.275 3.935 5.826 1.00 12.22 C ATOM 780 C GLU A 51 -2.854 2.939 4.742 1.00 22.32 C ATOM 781 O GLU A 51 -2.552 1.783 5.033 1.00 71.03 O ATOM 782 CB GLU A 51 -4.806 4.050 5.844 1.00 10.13 C ATOM 783 CG GLU A 51 -5.350 4.952 6.943 1.00 55.25 C ATOM 784 CD GLU A 51 -4.910 4.518 8.331 1.00 34.14 C ATOM 785 OE1 GLU A 51 -5.301 3.414 8.768 1.00 23.10 O ATOM 786 OE2 GLU A 51 -4.185 5.286 8.997 1.00 21.22 O ATOM 0 H GLU A 51 -3.321 6.007 5.459 1.00 52.24 H new ATOM 0 HA GLU A 51 -2.931 3.570 6.794 1.00 12.22 H new ATOM 0 HB2 GLU A 51 -5.142 4.429 4.879 1.00 10.13 H new ATOM 0 HB3 GLU A 51 -5.233 3.054 5.962 1.00 10.13 H new ATOM 0 HG2 GLU A 51 -5.018 5.975 6.765 1.00 55.25 H new ATOM 0 HG3 GLU A 51 -6.439 4.957 6.897 1.00 55.25 H new ATOM 793 N LEU A 52 -2.831 3.402 3.493 1.00 22.21 N ATOM 794 CA LEU A 52 -2.430 2.566 2.356 1.00 12.41 C ATOM 795 C LEU A 52 -0.977 2.096 2.516 1.00 4.04 C ATOM 796 O LEU A 52 -0.662 0.920 2.315 1.00 74.32 O ATOM 797 CB LEU A 52 -2.574 3.349 1.042 1.00 30.15 C ATOM 798 CG LEU A 52 -3.851 4.195 0.908 1.00 15.33 C ATOM 799 CD1 LEU A 52 -3.881 4.913 -0.435 1.00 23.25 C ATOM 800 CD2 LEU A 52 -5.107 3.348 1.099 1.00 71.05 C ATOM 0 H LEU A 52 -3.086 4.356 3.239 1.00 22.21 H new ATOM 0 HA LEU A 52 -3.083 1.694 2.329 1.00 12.41 H new ATOM 0 HB2 LEU A 52 -1.711 4.007 0.936 1.00 30.15 H new ATOM 0 HB3 LEU A 52 -2.540 2.642 0.213 1.00 30.15 H new ATOM 0 HG LEU A 52 -3.837 4.944 1.700 1.00 15.33 H new ATOM 0 HD11 LEU A 52 -4.792 5.506 -0.510 1.00 23.25 H new ATOM 0 HD12 LEU A 52 -3.014 5.568 -0.517 1.00 23.25 H new ATOM 0 HD13 LEU A 52 -3.858 4.179 -1.241 1.00 23.25 H new ATOM 0 HD21 LEU A 52 -5.990 3.979 0.998 1.00 71.05 H new ATOM 0 HD22 LEU A 52 -5.134 2.562 0.344 1.00 71.05 H new ATOM 0 HD23 LEU A 52 -5.095 2.898 2.092 1.00 71.05 H new ATOM 812 N ILE A 53 -0.103 3.032 2.890 1.00 44.31 N ATOM 813 CA ILE A 53 1.317 2.736 3.121 1.00 70.33 C ATOM 814 C ILE A 53 1.495 1.663 4.207 1.00 63.24 C ATOM 815 O ILE A 53 2.157 0.644 3.991 1.00 72.41 O ATOM 816 CB ILE A 53 2.087 4.013 3.547 1.00 22.33 C ATOM 817 CG1 ILE A 53 1.930 5.123 2.491 1.00 65.51 C ATOM 818 CG2 ILE A 53 3.567 3.707 3.797 1.00 62.42 C ATOM 819 CD1 ILE A 53 2.564 6.439 2.890 1.00 21.25 C ATOM 0 H ILE A 53 -0.354 4.009 3.041 1.00 44.31 H new ATOM 0 HA ILE A 53 1.722 2.363 2.180 1.00 70.33 H new ATOM 0 HB ILE A 53 1.655 4.368 4.483 1.00 22.33 H new ATOM 0 HG12 ILE A 53 2.373 4.786 1.554 1.00 65.51 H new ATOM 0 HG13 ILE A 53 0.869 5.284 2.302 1.00 65.51 H new ATOM 0 HG21 ILE A 53 4.082 4.620 4.094 1.00 62.42 H new ATOM 0 HG22 ILE A 53 3.656 2.965 4.591 1.00 62.42 H new ATOM 0 HG23 ILE A 53 4.017 3.317 2.884 1.00 62.42 H new ATOM 0 HD11 ILE A 53 2.412 7.171 2.097 1.00 21.25 H new ATOM 0 HD12 ILE A 53 2.104 6.800 3.810 1.00 21.25 H new ATOM 0 HD13 ILE A 53 3.632 6.294 3.051 1.00 21.25 H new ATOM 831 N GLU A 54 0.898 1.898 5.376 1.00 14.22 N ATOM 832 CA GLU A 54 0.999 0.951 6.492 1.00 70.30 C ATOM 833 C GLU A 54 0.315 -0.383 6.158 1.00 22.00 C ATOM 834 O GLU A 54 0.754 -1.440 6.603 1.00 71.34 O ATOM 835 CB GLU A 54 0.396 1.549 7.772 1.00 71.22 C ATOM 836 CG GLU A 54 1.031 2.871 8.190 1.00 64.42 C ATOM 837 CD GLU A 54 0.678 3.277 9.614 1.00 54.02 C ATOM 838 OE1 GLU A 54 -0.523 3.317 9.953 1.00 30.30 O ATOM 839 OE2 GLU A 54 1.603 3.565 10.403 1.00 41.11 O ATOM 0 H GLU A 54 0.342 2.730 5.576 1.00 14.22 H new ATOM 0 HA GLU A 54 2.058 0.757 6.661 1.00 70.30 H new ATOM 0 HB2 GLU A 54 -0.673 1.701 7.623 1.00 71.22 H new ATOM 0 HB3 GLU A 54 0.506 0.831 8.584 1.00 71.22 H new ATOM 0 HG2 GLU A 54 2.114 2.792 8.099 1.00 64.42 H new ATOM 0 HG3 GLU A 54 0.709 3.655 7.504 1.00 64.42 H new ATOM 846 N ARG A 55 -0.753 -0.326 5.363 1.00 44.44 N ATOM 847 CA ARG A 55 -1.464 -1.532 4.927 1.00 74.14 C ATOM 848 C ARG A 55 -0.525 -2.457 4.137 1.00 22.11 C ATOM 849 O ARG A 55 -0.393 -3.644 4.442 1.00 55.51 O ATOM 850 CB ARG A 55 -2.672 -1.161 4.048 1.00 13.44 C ATOM 851 CG ARG A 55 -3.978 -1.847 4.450 1.00 3.33 C ATOM 852 CD ARG A 55 -4.761 -1.035 5.479 1.00 45.50 C ATOM 853 NE ARG A 55 -3.989 -0.753 6.692 1.00 25.21 N ATOM 854 CZ ARG A 55 -4.197 0.278 7.476 1.00 13.45 C ATOM 855 NH1 ARG A 55 -5.189 1.084 7.259 1.00 53.43 N ATOM 856 NH2 ARG A 55 -3.432 0.477 8.497 1.00 30.41 N ATOM 0 H ARG A 55 -1.147 0.544 5.006 1.00 44.44 H new ATOM 0 HA ARG A 55 -1.816 -2.054 5.817 1.00 74.14 H new ATOM 0 HB2 ARG A 55 -2.816 -0.081 4.086 1.00 13.44 H new ATOM 0 HB3 ARG A 55 -2.445 -1.416 3.013 1.00 13.44 H new ATOM 0 HG2 ARG A 55 -4.594 -1.999 3.564 1.00 3.33 H new ATOM 0 HG3 ARG A 55 -3.758 -2.833 4.859 1.00 3.33 H new ATOM 0 HD2 ARG A 55 -5.076 -0.094 5.028 1.00 45.50 H new ATOM 0 HD3 ARG A 55 -5.667 -1.578 5.749 1.00 45.50 H new ATOM 0 HE ARG A 55 -3.242 -1.400 6.943 1.00 25.21 H new ATOM 0 HH11 ARG A 55 -5.817 0.920 6.472 1.00 53.43 H new ATOM 0 HH12 ARG A 55 -5.341 1.883 7.875 1.00 53.43 H new ATOM 0 HH21 ARG A 55 -2.666 -0.167 8.694 1.00 30.41 H new ATOM 0 HH22 ARG A 55 -3.593 1.279 9.107 1.00 30.41 H new ATOM 870 N LEU A 56 0.116 -1.896 3.113 1.00 63.44 N ATOM 871 CA LEU A 56 1.104 -2.629 2.317 1.00 33.32 C ATOM 872 C LEU A 56 2.241 -3.171 3.197 1.00 21.21 C ATOM 873 O LEU A 56 2.575 -4.354 3.141 1.00 73.12 O ATOM 874 CB LEU A 56 1.680 -1.718 1.220 1.00 33.24 C ATOM 875 CG LEU A 56 0.693 -1.290 0.122 1.00 12.13 C ATOM 876 CD1 LEU A 56 1.328 -0.258 -0.806 1.00 15.25 C ATOM 877 CD2 LEU A 56 0.218 -2.503 -0.675 1.00 42.04 C ATOM 0 H LEU A 56 -0.031 -0.932 2.813 1.00 63.44 H new ATOM 0 HA LEU A 56 0.599 -3.478 1.855 1.00 33.32 H new ATOM 0 HB2 LEU A 56 2.081 -0.821 1.692 1.00 33.24 H new ATOM 0 HB3 LEU A 56 2.518 -2.232 0.749 1.00 33.24 H new ATOM 0 HG LEU A 56 -0.171 -0.831 0.603 1.00 12.13 H new ATOM 0 HD11 LEU A 56 0.611 0.030 -1.575 1.00 15.25 H new ATOM 0 HD12 LEU A 56 1.615 0.622 -0.230 1.00 15.25 H new ATOM 0 HD13 LEU A 56 2.212 -0.687 -1.277 1.00 15.25 H new ATOM 0 HD21 LEU A 56 -0.480 -2.180 -1.448 1.00 42.04 H new ATOM 0 HD22 LEU A 56 1.075 -2.991 -1.141 1.00 42.04 H new ATOM 0 HD23 LEU A 56 -0.280 -3.205 -0.007 1.00 42.04 H new ATOM 889 N ARG A 57 2.829 -2.298 4.012 1.00 31.14 N ATOM 890 CA ARG A 57 3.949 -2.675 4.882 1.00 75.53 C ATOM 891 C ARG A 57 3.541 -3.724 5.934 1.00 65.41 C ATOM 892 O ARG A 57 4.361 -4.539 6.355 1.00 51.32 O ATOM 893 CB ARG A 57 4.529 -1.429 5.562 1.00 43.05 C ATOM 894 CG ARG A 57 5.151 -0.435 4.577 1.00 3.42 C ATOM 895 CD ARG A 57 5.722 0.793 5.278 1.00 51.11 C ATOM 896 NE ARG A 57 6.745 0.445 6.266 1.00 24.20 N ATOM 897 CZ ARG A 57 7.823 1.150 6.497 1.00 63.42 C ATOM 898 NH1 ARG A 57 8.118 2.175 5.763 1.00 61.45 N ATOM 899 NH2 ARG A 57 8.636 0.794 7.438 1.00 64.21 N ATOM 0 H ARG A 57 2.550 -1.320 4.091 1.00 31.14 H new ATOM 0 HA ARG A 57 4.714 -3.132 4.254 1.00 75.53 H new ATOM 0 HB2 ARG A 57 3.739 -0.929 6.122 1.00 43.05 H new ATOM 0 HB3 ARG A 57 5.286 -1.737 6.284 1.00 43.05 H new ATOM 0 HG2 ARG A 57 5.942 -0.931 4.015 1.00 3.42 H new ATOM 0 HG3 ARG A 57 4.396 -0.121 3.856 1.00 3.42 H new ATOM 0 HD2 ARG A 57 6.152 1.465 4.535 1.00 51.11 H new ATOM 0 HD3 ARG A 57 4.915 1.336 5.770 1.00 51.11 H new ATOM 0 HE ARG A 57 6.608 -0.406 6.812 1.00 24.20 H new ATOM 0 HH11 ARG A 57 7.506 2.443 4.992 1.00 61.45 H new ATOM 0 HH12 ARG A 57 8.962 2.714 5.956 1.00 61.45 H new ATOM 0 HH21 ARG A 57 8.436 -0.035 7.998 1.00 64.21 H new ATOM 0 HH22 ARG A 57 9.477 1.342 7.620 1.00 64.21 H new ATOM 913 N ALA A 58 2.279 -3.697 6.361 1.00 12.45 N ATOM 914 CA ALA A 58 1.757 -4.704 7.295 1.00 22.10 C ATOM 915 C ALA A 58 1.598 -6.066 6.601 1.00 72.31 C ATOM 916 O ALA A 58 2.029 -7.101 7.117 1.00 45.25 O ATOM 917 CB ALA A 58 0.425 -4.244 7.884 1.00 72.25 C ATOM 0 H ALA A 58 1.598 -2.992 6.078 1.00 12.45 H new ATOM 0 HA ALA A 58 2.475 -4.820 8.107 1.00 22.10 H new ATOM 0 HB1 ALA A 58 0.051 -5.001 8.574 1.00 72.25 H new ATOM 0 HB2 ALA A 58 0.568 -3.305 8.419 1.00 72.25 H new ATOM 0 HB3 ALA A 58 -0.297 -4.097 7.081 1.00 72.25 H new ATOM 923 N TYR A 59 0.979 -6.058 5.423 1.00 11.41 N ATOM 924 CA TYR A 59 0.799 -7.278 4.628 1.00 1.41 C ATOM 925 C TYR A 59 2.154 -7.894 4.238 1.00 13.35 C ATOM 926 O TYR A 59 2.345 -9.108 4.312 1.00 52.43 O ATOM 927 CB TYR A 59 -0.024 -6.960 3.372 1.00 71.21 C ATOM 928 CG TYR A 59 -0.313 -8.161 2.484 1.00 33.30 C ATOM 929 CD1 TYR A 59 -1.415 -8.979 2.722 1.00 64.31 C ATOM 930 CD2 TYR A 59 0.502 -8.463 1.396 1.00 60.04 C ATOM 931 CE1 TYR A 59 -1.687 -10.064 1.910 1.00 2.22 C ATOM 932 CE2 TYR A 59 0.233 -9.543 0.578 1.00 34.04 C ATOM 933 CZ TYR A 59 -0.863 -10.338 0.837 1.00 73.33 C ATOM 934 OH TYR A 59 -1.141 -11.409 0.016 1.00 73.11 O ATOM 0 H TYR A 59 0.591 -5.218 4.993 1.00 11.41 H new ATOM 0 HA TYR A 59 0.264 -8.009 5.235 1.00 1.41 H new ATOM 0 HB2 TYR A 59 -0.971 -6.514 3.677 1.00 71.21 H new ATOM 0 HB3 TYR A 59 0.507 -6.210 2.786 1.00 71.21 H new ATOM 0 HD1 TYR A 59 -2.068 -8.762 3.555 1.00 64.31 H new ATOM 0 HD2 TYR A 59 1.360 -7.841 1.188 1.00 60.04 H new ATOM 0 HE1 TYR A 59 -2.540 -10.694 2.114 1.00 2.22 H new ATOM 0 HE2 TYR A 59 0.878 -9.763 -0.260 1.00 34.04 H new ATOM 0 HH TYR A 59 -0.465 -11.463 -0.692 1.00 73.11 H new ATOM 944 N GLN A 60 3.095 -7.041 3.834 1.00 14.42 N ATOM 945 CA GLN A 60 4.421 -7.495 3.403 1.00 71.21 C ATOM 946 C GLN A 60 5.256 -7.984 4.599 1.00 44.22 C ATOM 947 O GLN A 60 5.987 -8.965 4.488 1.00 40.44 O ATOM 948 CB GLN A 60 5.144 -6.366 2.645 1.00 10.01 C ATOM 949 CG GLN A 60 6.319 -6.829 1.776 1.00 75.04 C ATOM 950 CD GLN A 60 7.600 -7.078 2.557 1.00 53.11 C ATOM 951 OE1 GLN A 60 7.872 -6.422 3.556 1.00 0.32 O ATOM 952 NE2 GLN A 60 8.399 -8.023 2.105 1.00 41.13 N ATOM 0 H GLN A 60 2.965 -6.030 3.795 1.00 14.42 H new ATOM 0 HA GLN A 60 4.295 -8.341 2.727 1.00 71.21 H new ATOM 0 HB2 GLN A 60 4.422 -5.851 2.011 1.00 10.01 H new ATOM 0 HB3 GLN A 60 5.510 -5.637 3.368 1.00 10.01 H new ATOM 0 HG2 GLN A 60 6.037 -7.745 1.258 1.00 75.04 H new ATOM 0 HG3 GLN A 60 6.511 -6.077 1.011 1.00 75.04 H new ATOM 0 HE21 GLN A 60 8.143 -8.551 1.271 1.00 41.13 H new ATOM 0 HE22 GLN A 60 9.273 -8.227 2.590 1.00 41.13 H new ATOM 961 N ASP A 61 5.119 -7.319 5.751 1.00 14.53 N ATOM 962 CA ASP A 61 5.849 -7.709 6.966 1.00 4.24 C ATOM 963 C ASP A 61 5.566 -9.173 7.334 1.00 15.43 C ATOM 964 O ASP A 61 6.466 -9.922 7.720 1.00 3.11 O ATOM 965 CB ASP A 61 5.448 -6.790 8.127 1.00 61.31 C ATOM 966 CG ASP A 61 6.169 -7.124 9.423 1.00 71.24 C ATOM 967 OD1 ASP A 61 7.292 -6.621 9.632 1.00 54.45 O ATOM 968 OD2 ASP A 61 5.614 -7.888 10.242 1.00 53.24 O ATOM 0 H ASP A 61 4.511 -6.509 5.869 1.00 14.53 H new ATOM 0 HA ASP A 61 6.917 -7.608 6.773 1.00 4.24 H new ATOM 0 HB2 ASP A 61 5.660 -5.756 7.855 1.00 61.31 H new ATOM 0 HB3 ASP A 61 4.372 -6.863 8.287 1.00 61.31 H new ATOM 973 N GLN A 62 4.305 -9.563 7.188 1.00 2.51 N ATOM 974 CA GLN A 62 3.850 -10.921 7.505 1.00 11.11 C ATOM 975 C GLN A 62 4.480 -11.977 6.575 1.00 42.31 C ATOM 976 O GLN A 62 4.731 -13.108 6.986 1.00 3.51 O ATOM 977 CB GLN A 62 2.319 -10.965 7.417 1.00 10.43 C ATOM 978 CG GLN A 62 1.636 -10.014 8.395 1.00 55.25 C ATOM 979 CD GLN A 62 0.137 -9.909 8.174 1.00 54.02 C ATOM 980 OE1 GLN A 62 -0.278 -8.928 7.397 1.00 70.14 O flip ATOM 981 NE2 GLN A 62 -0.644 -10.687 8.710 1.00 33.21 N flip ATOM 0 H GLN A 62 3.565 -8.950 6.847 1.00 2.51 H new ATOM 0 HA GLN A 62 4.172 -11.166 8.517 1.00 11.11 H new ATOM 0 HB2 GLN A 62 2.012 -10.715 6.402 1.00 10.43 H new ATOM 0 HB3 GLN A 62 1.979 -11.982 7.611 1.00 10.43 H new ATOM 0 HG2 GLN A 62 1.824 -10.353 9.414 1.00 55.25 H new ATOM 0 HG3 GLN A 62 2.082 -9.024 8.301 1.00 55.25 H new ATOM 0 HE21 GLN A 62 -0.290 -11.436 9.306 1.00 33.21 H new ATOM 0 HE22 GLN A 62 -1.648 -10.586 8.560 1.00 33.21 H new ATOM 990 N ILE A 63 4.743 -11.593 5.326 1.00 2.41 N ATOM 991 CA ILE A 63 5.350 -12.501 4.339 1.00 23.23 C ATOM 992 C ILE A 63 6.840 -12.178 4.107 1.00 25.15 C ATOM 993 O ILE A 63 7.471 -12.726 3.197 1.00 42.33 O ATOM 994 CB ILE A 63 4.596 -12.435 2.985 1.00 65.20 C ATOM 995 CG1 ILE A 63 4.640 -11.005 2.409 1.00 72.24 C ATOM 996 CG2 ILE A 63 3.151 -12.911 3.153 1.00 30.44 C ATOM 997 CD1 ILE A 63 3.940 -10.849 1.072 1.00 63.21 C ATOM 0 H ILE A 63 4.547 -10.658 4.968 1.00 2.41 H new ATOM 0 HA ILE A 63 5.271 -13.508 4.748 1.00 23.23 H new ATOM 0 HB ILE A 63 5.094 -13.100 2.279 1.00 65.20 H new ATOM 0 HG12 ILE A 63 4.184 -10.323 3.126 1.00 72.24 H new ATOM 0 HG13 ILE A 63 5.681 -10.702 2.298 1.00 72.24 H new ATOM 0 HG21 ILE A 63 2.637 -12.858 2.193 1.00 30.44 H new ATOM 0 HG22 ILE A 63 3.146 -13.941 3.511 1.00 30.44 H new ATOM 0 HG23 ILE A 63 2.640 -12.274 3.874 1.00 30.44 H new ATOM 0 HD11 ILE A 63 4.018 -9.814 0.739 1.00 63.21 H new ATOM 0 HD12 ILE A 63 4.409 -11.503 0.337 1.00 63.21 H new ATOM 0 HD13 ILE A 63 2.889 -11.118 1.178 1.00 63.21 H new ATOM 1009 N SER A 64 7.392 -11.290 4.934 1.00 21.40 N ATOM 1010 CA SER A 64 8.801 -10.877 4.821 1.00 5.10 C ATOM 1011 C SER A 64 9.687 -11.639 5.813 1.00 44.13 C ATOM 1012 O SER A 64 9.296 -11.855 6.965 1.00 35.43 O ATOM 1013 CB SER A 64 8.936 -9.367 5.074 1.00 12.41 C ATOM 1014 OG SER A 64 10.278 -8.925 4.911 1.00 52.32 O ATOM 0 H SER A 64 6.886 -10.838 5.695 1.00 21.40 H new ATOM 0 HA SER A 64 9.132 -11.110 3.809 1.00 5.10 H new ATOM 0 HB2 SER A 64 8.288 -8.823 4.387 1.00 12.41 H new ATOM 0 HB3 SER A 64 8.596 -9.135 6.083 1.00 12.41 H new ATOM 0 HG SER A 64 10.327 -7.961 5.078 1.00 52.32 H new ATOM 1020 N PRO A 65 10.899 -12.056 5.385 1.00 53.20 N ATOM 1021 CA PRO A 65 11.834 -12.809 6.240 1.00 75.35 C ATOM 1022 C PRO A 65 12.142 -12.093 7.570 1.00 41.14 C ATOM 1023 O PRO A 65 12.412 -10.888 7.601 1.00 44.24 O ATOM 1024 CB PRO A 65 13.107 -12.928 5.373 1.00 54.54 C ATOM 1025 CG PRO A 65 12.941 -11.923 4.282 1.00 50.33 C ATOM 1026 CD PRO A 65 11.460 -11.824 4.041 1.00 4.24 C ATOM 0 HA PRO A 65 11.417 -13.771 6.538 1.00 75.35 H new ATOM 0 HB2 PRO A 65 14.002 -12.725 5.961 1.00 54.54 H new ATOM 0 HB3 PRO A 65 13.213 -13.934 4.967 1.00 54.54 H new ATOM 0 HG2 PRO A 65 13.356 -10.958 4.573 1.00 50.33 H new ATOM 0 HG3 PRO A 65 13.465 -12.236 3.379 1.00 50.33 H new ATOM 0 HD2 PRO A 65 11.178 -10.848 3.647 1.00 4.24 H new ATOM 0 HD3 PRO A 65 11.115 -12.569 3.324 1.00 4.24 H new ATOM 1034 N VAL A 66 12.084 -12.841 8.673 1.00 55.43 N ATOM 1035 CA VAL A 66 12.378 -12.296 10.002 1.00 44.42 C ATOM 1036 C VAL A 66 13.761 -12.755 10.497 1.00 22.12 C ATOM 1037 O VAL A 66 14.169 -13.892 10.260 1.00 23.12 O ATOM 1038 CB VAL A 66 11.296 -12.714 11.035 1.00 33.54 C ATOM 1039 CG1 VAL A 66 9.930 -12.153 10.637 1.00 73.22 C ATOM 1040 CG2 VAL A 66 11.237 -14.237 11.185 1.00 50.14 C ATOM 0 H VAL A 66 11.835 -13.830 8.673 1.00 55.43 H new ATOM 0 HA VAL A 66 12.376 -11.210 9.909 1.00 44.42 H new ATOM 0 HB VAL A 66 11.571 -12.295 12.003 1.00 33.54 H new ATOM 0 HG11 VAL A 66 9.184 -12.456 11.372 1.00 73.22 H new ATOM 0 HG12 VAL A 66 9.981 -11.065 10.599 1.00 73.22 H new ATOM 0 HG13 VAL A 66 9.650 -12.538 9.656 1.00 73.22 H new ATOM 0 HG21 VAL A 66 10.471 -14.501 11.914 1.00 50.14 H new ATOM 0 HG22 VAL A 66 10.993 -14.688 10.223 1.00 50.14 H new ATOM 0 HG23 VAL A 66 12.204 -14.607 11.525 1.00 50.14 H new ATOM 1050 N PRO A 67 14.501 -11.884 11.208 1.00 12.20 N ATOM 1051 CA PRO A 67 15.856 -12.204 11.709 1.00 63.04 C ATOM 1052 C PRO A 67 15.846 -13.129 12.944 1.00 41.42 C ATOM 1053 O PRO A 67 16.683 -12.997 13.841 1.00 51.33 O ATOM 1054 CB PRO A 67 16.403 -10.821 12.079 1.00 32.23 C ATOM 1055 CG PRO A 67 15.196 -10.042 12.481 1.00 21.02 C ATOM 1056 CD PRO A 67 14.085 -10.514 11.580 1.00 2.52 C ATOM 0 HA PRO A 67 16.448 -12.748 10.973 1.00 63.04 H new ATOM 0 HB2 PRO A 67 17.125 -10.884 12.893 1.00 32.23 H new ATOM 0 HB3 PRO A 67 16.913 -10.356 11.235 1.00 32.23 H new ATOM 0 HG2 PRO A 67 14.950 -10.215 13.529 1.00 21.02 H new ATOM 0 HG3 PRO A 67 15.365 -8.971 12.366 1.00 21.02 H new ATOM 0 HD2 PRO A 67 13.123 -10.512 12.093 1.00 2.52 H new ATOM 0 HD3 PRO A 67 13.980 -9.875 10.704 1.00 2.52 H new ATOM 1064 N GLY A 68 14.920 -14.087 12.967 1.00 74.02 N ATOM 1065 CA GLY A 68 14.780 -14.980 14.119 1.00 51.40 C ATOM 1066 C GLY A 68 13.695 -14.531 15.097 1.00 41.31 C ATOM 1067 O GLY A 68 13.608 -15.043 16.213 1.00 24.41 O ATOM 0 H GLY A 68 14.261 -14.265 12.209 1.00 74.02 H new ATOM 0 HA2 GLY A 68 14.549 -15.985 13.766 1.00 51.40 H new ATOM 0 HA3 GLY A 68 15.733 -15.038 14.644 1.00 51.40 H new ATOM 1071 N ALA A 69 12.873 -13.570 14.676 1.00 64.21 N ATOM 1072 CA ALA A 69 11.767 -13.065 15.500 1.00 53.42 C ATOM 1073 C ALA A 69 10.519 -13.959 15.377 1.00 65.24 C ATOM 1074 O ALA A 69 10.034 -14.203 14.269 1.00 2.42 O ATOM 1075 CB ALA A 69 11.437 -11.627 15.106 1.00 71.43 C ATOM 0 H ALA A 69 12.951 -13.121 13.763 1.00 64.21 H new ATOM 0 HA ALA A 69 12.084 -13.085 16.543 1.00 53.42 H new ATOM 0 HB1 ALA A 69 10.616 -11.260 15.722 1.00 71.43 H new ATOM 0 HB2 ALA A 69 12.314 -10.998 15.258 1.00 71.43 H new ATOM 0 HB3 ALA A 69 11.145 -11.595 14.056 1.00 71.43 H new ATOM 1081 N PRO A 70 9.986 -14.465 16.514 1.00 61.21 N ATOM 1082 CA PRO A 70 8.799 -15.348 16.521 1.00 1.20 C ATOM 1083 C PRO A 70 7.552 -14.714 15.866 1.00 33.05 C ATOM 1084 O PRO A 70 6.908 -13.830 16.441 1.00 30.44 O ATOM 1085 CB PRO A 70 8.554 -15.607 18.019 1.00 51.43 C ATOM 1086 CG PRO A 70 9.867 -15.342 18.676 1.00 63.45 C ATOM 1087 CD PRO A 70 10.500 -14.232 17.880 1.00 61.02 C ATOM 0 HA PRO A 70 8.975 -16.251 15.936 1.00 1.20 H new ATOM 0 HB2 PRO A 70 7.777 -14.951 18.411 1.00 51.43 H new ATOM 0 HB3 PRO A 70 8.225 -16.631 18.194 1.00 51.43 H new ATOM 0 HG2 PRO A 70 9.733 -15.050 19.718 1.00 63.45 H new ATOM 0 HG3 PRO A 70 10.494 -16.234 18.673 1.00 63.45 H new ATOM 0 HD2 PRO A 70 10.212 -13.251 18.257 1.00 61.02 H new ATOM 0 HD3 PRO A 70 11.588 -14.281 17.915 1.00 61.02 H new ATOM 1095 N LYS A 71 7.230 -15.167 14.654 1.00 0.04 N ATOM 1096 CA LYS A 71 6.038 -14.708 13.926 1.00 55.33 C ATOM 1097 C LYS A 71 5.156 -15.892 13.498 1.00 21.11 C ATOM 1098 O LYS A 71 5.484 -17.052 13.757 1.00 31.14 O ATOM 1099 CB LYS A 71 6.446 -13.903 12.678 1.00 71.31 C ATOM 1100 CG LYS A 71 7.042 -12.531 12.974 1.00 11.33 C ATOM 1101 CD LYS A 71 6.037 -11.609 13.658 1.00 34.51 C ATOM 1102 CE LYS A 71 6.525 -10.164 13.693 1.00 33.00 C ATOM 1103 NZ LYS A 71 6.577 -9.553 12.334 1.00 50.43 N ATOM 0 H LYS A 71 7.783 -15.859 14.148 1.00 0.04 H new ATOM 0 HA LYS A 71 5.467 -14.071 14.601 1.00 55.33 H new ATOM 0 HB2 LYS A 71 7.171 -14.484 12.108 1.00 71.31 H new ATOM 0 HB3 LYS A 71 5.570 -13.774 12.042 1.00 71.31 H new ATOM 0 HG2 LYS A 71 7.920 -12.646 13.610 1.00 11.33 H new ATOM 0 HG3 LYS A 71 7.380 -12.074 12.044 1.00 11.33 H new ATOM 0 HD2 LYS A 71 5.083 -11.658 13.133 1.00 34.51 H new ATOM 0 HD3 LYS A 71 5.859 -11.957 14.675 1.00 34.51 H new ATOM 0 HE2 LYS A 71 5.865 -9.575 14.329 1.00 33.00 H new ATOM 0 HE3 LYS A 71 7.517 -10.128 14.144 1.00 33.00 H new ATOM 0 HZ1 LYS A 71 7.549 -9.244 12.129 1.00 50.43 H new ATOM 0 HZ2 LYS A 71 6.280 -10.255 11.626 1.00 50.43 H new ATOM 0 HZ3 LYS A 71 5.938 -8.733 12.297 1.00 50.43 H new ATOM 1117 N ALA A 72 4.037 -15.587 12.848 1.00 10.44 N ATOM 1118 CA ALA A 72 3.166 -16.625 12.287 1.00 41.13 C ATOM 1119 C ALA A 72 3.820 -17.285 11.057 1.00 51.23 C ATOM 1120 O ALA A 72 4.430 -16.604 10.231 1.00 23.31 O ATOM 1121 CB ALA A 72 1.808 -16.033 11.918 1.00 42.33 C ATOM 0 H ALA A 72 3.709 -14.633 12.695 1.00 10.44 H new ATOM 0 HA ALA A 72 3.018 -17.394 13.045 1.00 41.13 H new ATOM 0 HB1 ALA A 72 1.171 -16.814 11.503 1.00 42.33 H new ATOM 0 HB2 ALA A 72 1.338 -15.617 12.809 1.00 42.33 H new ATOM 0 HB3 ALA A 72 1.944 -15.244 11.178 1.00 42.33 H new ATOM 1127 N PRO A 73 3.718 -18.624 10.917 1.00 13.34 N ATOM 1128 CA PRO A 73 4.320 -19.349 9.779 1.00 65.33 C ATOM 1129 C PRO A 73 3.830 -18.834 8.412 1.00 42.11 C ATOM 1130 O PRO A 73 2.751 -19.209 7.944 1.00 14.51 O ATOM 1131 CB PRO A 73 3.879 -20.806 10.004 1.00 0.45 C ATOM 1132 CG PRO A 73 3.574 -20.889 11.464 1.00 73.41 C ATOM 1133 CD PRO A 73 3.030 -19.537 11.847 1.00 72.21 C ATOM 0 HA PRO A 73 5.402 -19.219 9.748 1.00 65.33 H new ATOM 0 HB2 PRO A 73 3.004 -21.052 9.402 1.00 0.45 H new ATOM 0 HB3 PRO A 73 4.666 -21.506 9.724 1.00 0.45 H new ATOM 0 HG2 PRO A 73 2.847 -21.675 11.668 1.00 73.41 H new ATOM 0 HG3 PRO A 73 4.470 -21.127 12.038 1.00 73.41 H new ATOM 0 HD2 PRO A 73 1.947 -19.490 11.730 1.00 72.21 H new ATOM 0 HD3 PRO A 73 3.249 -19.294 12.887 1.00 72.21 H new ATOM 1141 N ALA A 74 4.620 -17.954 7.792 1.00 64.12 N ATOM 1142 CA ALA A 74 4.285 -17.394 6.477 1.00 22.44 C ATOM 1143 C ALA A 74 4.174 -18.489 5.404 1.00 12.12 C ATOM 1144 O ALA A 74 5.174 -18.909 4.817 1.00 51.43 O ATOM 1145 CB ALA A 74 5.317 -16.345 6.068 1.00 50.21 C ATOM 0 H ALA A 74 5.499 -17.612 8.180 1.00 64.12 H new ATOM 0 HA ALA A 74 3.309 -16.916 6.559 1.00 22.44 H new ATOM 0 HB1 ALA A 74 5.055 -15.939 5.091 1.00 50.21 H new ATOM 0 HB2 ALA A 74 5.330 -15.541 6.804 1.00 50.21 H new ATOM 0 HB3 ALA A 74 6.304 -16.806 6.017 1.00 50.21 H new ATOM 1151 N ALA A 75 2.948 -18.951 5.173 1.00 64.22 N ATOM 1152 CA ALA A 75 2.670 -20.007 4.189 1.00 41.00 C ATOM 1153 C ALA A 75 1.165 -20.081 3.862 1.00 12.14 C ATOM 1154 O ALA A 75 0.739 -19.475 2.854 1.00 38.95 O ATOM 1155 CB ALA A 75 3.182 -21.354 4.701 1.00 62.34 C ATOM 1156 OXT ALA A 75 0.405 -20.719 4.630 1.00 38.95 O ATOM 0 H ALA A 75 2.118 -18.609 5.658 1.00 64.22 H new ATOM 0 HA ALA A 75 3.197 -19.762 3.267 1.00 41.00 H new ATOM 0 HB1 ALA A 75 2.970 -22.128 3.963 1.00 62.34 H new ATOM 0 HB2 ALA A 75 4.258 -21.295 4.867 1.00 62.34 H new ATOM 0 HB3 ALA A 75 2.684 -21.600 5.639 1.00 62.34 H new TER 1162 ALA A 75