USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 888 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 34 SER OG : rot 170:sc= 0.0755 USER MOD Set 1.2: A 39 THR OG1 : rot 74:sc= 0.0941 USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.0713 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.102 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 19 ASN : amide:sc= -0.0852 X(o=-0.085,f=-0.42) USER MOD Single : A 22 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.3) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc=-0.00188 (180deg=-0.131) USER MOD Single : A 25 SER OG : rot 123:sc= 0.98 USER MOD Single : A 26 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.72) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0.341 (180deg=0.269) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.017) USER MOD Single : A 46 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.3) USER MOD Single : A 48 HIS : no HD1:sc= -0.0201 K(o=-0.02,f=-1.6) USER MOD Single : A 53 ASN : amide:sc= -1.48 K(o=-1.5,f=-11!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 20:sc= -0.344 USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.497 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.557 K(o=-0.56,f=-1.6) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.764 F(o=-1.7,f=-0.76) USER MOD Single : A 68 SER OG : rot 180:sc= -0.111 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.38) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.701 X(o=-0.7,f=-0.59) USER MOD Single : A 86 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.93) USER MOD Single : A 88 THR OG1 : rot 30:sc= -1.12! USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0676) USER MOD Single : A 98 SER OG : rot 45:sc= -0.0586 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0977 USER MOD Single : A 120 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.109 18.890 -36.032 1.00 0.00 N ATOM 2 CA ALA A 1 -20.744 20.232 -36.470 1.00 0.00 C ATOM 3 C ALA A 1 -20.881 20.371 -37.982 1.00 0.00 C ATOM 4 O ALA A 1 -21.512 19.543 -38.640 1.00 0.00 O ATOM 5 CB ALA A 1 -19.326 20.563 -36.032 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.837 18.952 -35.292 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.481 18.350 -36.840 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.269 18.409 -35.651 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.429 20.940 -36.003 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.067 21.568 -36.366 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.260 20.514 -34.945 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.633 19.845 -36.471 1.00 0.00 H new ATOM 11 N THR A 2 -20.283 21.425 -38.531 1.00 0.00 N ATOM 12 CA THR A 2 -20.337 21.675 -39.966 1.00 0.00 C ATOM 13 C THR A 2 -19.231 22.628 -40.400 1.00 0.00 C ATOM 14 O THR A 2 -19.351 23.310 -41.421 1.00 0.00 O ATOM 15 CB THR A 2 -21.700 22.261 -40.382 1.00 0.00 C ATOM 16 OG1 THR A 2 -22.611 22.214 -39.278 1.00 0.00 O ATOM 17 CG2 THR A 2 -22.282 21.494 -41.560 1.00 0.00 C ATOM 0 H THR A 2 -19.755 22.119 -38.002 1.00 0.00 H new ATOM 0 HA THR A 2 -20.197 20.714 -40.461 1.00 0.00 H new ATOM 0 HB THR A 2 -21.548 23.298 -40.683 1.00 0.00 H new ATOM 0 HG1 THR A 2 -23.474 22.590 -39.550 1.00 0.00 H new ATOM 0 HG21 THR A 2 -23.244 21.926 -41.836 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.600 21.557 -42.408 1.00 0.00 H new ATOM 0 HG23 THR A 2 -22.420 20.449 -41.282 1.00 0.00 H new ATOM 25 N LYS A 3 -18.155 22.673 -39.623 1.00 0.00 N ATOM 26 CA LYS A 3 -17.026 23.542 -39.929 1.00 0.00 C ATOM 27 C LYS A 3 -16.009 22.826 -40.813 1.00 0.00 C ATOM 28 O LYS A 3 -15.522 23.384 -41.795 1.00 0.00 O ATOM 29 CB LYS A 3 -16.353 24.012 -38.638 1.00 0.00 C ATOM 30 CG LYS A 3 -17.329 24.540 -37.601 1.00 0.00 C ATOM 31 CD LYS A 3 -17.445 23.597 -36.415 1.00 0.00 C ATOM 32 CE LYS A 3 -18.316 24.190 -35.315 1.00 0.00 C ATOM 33 NZ LYS A 3 -17.505 24.886 -34.282 1.00 0.00 N1+ ATOM 0 H LYS A 3 -18.041 22.117 -38.776 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.405 24.408 -40.471 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.792 23.182 -38.208 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.632 24.794 -38.878 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.001 25.521 -37.257 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.310 24.674 -38.058 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.868 22.648 -36.743 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.452 23.384 -36.019 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.026 24.891 -35.753 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.899 23.397 -34.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.134 25.276 -33.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.844 24.211 -33.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.968 25.659 -34.725 1.00 0.00 H new ATOM 47 N ALA A 4 -15.696 21.584 -40.456 1.00 0.00 N ATOM 48 CA ALA A 4 -14.740 20.788 -41.217 1.00 0.00 C ATOM 49 C ALA A 4 -15.242 20.538 -42.636 1.00 0.00 C ATOM 50 O ALA A 4 -14.481 20.126 -43.510 1.00 0.00 O ATOM 51 CB ALA A 4 -14.470 19.468 -40.510 1.00 0.00 C ATOM 0 H ALA A 4 -16.090 21.108 -39.645 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.808 21.349 -41.282 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.755 18.884 -41.090 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.061 19.663 -39.519 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.401 18.909 -40.414 1.00 0.00 H new ATOM 57 N VAL A 5 -16.528 20.791 -42.856 1.00 0.00 N ATOM 58 CA VAL A 5 -17.130 20.594 -44.170 1.00 0.00 C ATOM 59 C VAL A 5 -16.935 21.819 -45.054 1.00 0.00 C ATOM 60 O VAL A 5 -16.528 21.704 -46.210 1.00 0.00 O ATOM 61 CB VAL A 5 -18.638 20.292 -44.056 1.00 0.00 C ATOM 62 CG1 VAL A 5 -19.150 19.642 -45.332 1.00 0.00 C ATOM 63 CG2 VAL A 5 -18.914 19.410 -42.848 1.00 0.00 C ATOM 0 H VAL A 5 -17.172 21.132 -42.143 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.628 19.739 -44.623 1.00 0.00 H new ATOM 0 HB VAL A 5 -19.171 21.233 -43.918 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -20.216 19.436 -45.233 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -18.987 20.315 -46.174 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -18.615 18.708 -45.505 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -19.983 19.207 -42.783 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -18.372 18.470 -42.952 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -18.586 19.920 -41.942 1.00 0.00 H new ATOM 73 N CYS A 6 -17.227 22.993 -44.503 1.00 0.00 N ATOM 74 CA CYS A 6 -17.081 24.242 -45.243 1.00 0.00 C ATOM 75 C CYS A 6 -17.410 25.439 -44.357 1.00 0.00 C ATOM 76 O CYS A 6 -18.472 26.047 -44.486 1.00 0.00 O ATOM 77 CB CYS A 6 -17.990 24.238 -46.474 1.00 0.00 C ATOM 78 SG CYS A 6 -19.691 23.725 -46.133 1.00 0.00 S ATOM 0 H CYS A 6 -17.566 23.106 -43.548 1.00 0.00 H new ATOM 0 HA CYS A 6 -16.044 24.326 -45.566 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -18.003 25.239 -46.906 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -17.564 23.572 -47.225 1.00 0.00 H new ATOM 0 HG CYS A 6 -20.382 23.756 -47.233 1.00 0.00 H new ATOM 84 N VAL A 7 -16.490 25.772 -43.457 1.00 0.00 N ATOM 85 CA VAL A 7 -16.682 26.896 -42.548 1.00 0.00 C ATOM 86 C VAL A 7 -15.463 27.095 -41.655 1.00 0.00 C ATOM 87 O VAL A 7 -15.109 28.224 -41.311 1.00 0.00 O ATOM 88 CB VAL A 7 -17.927 26.697 -41.662 1.00 0.00 C ATOM 89 CG1 VAL A 7 -17.597 26.981 -40.206 1.00 0.00 C ATOM 90 CG2 VAL A 7 -19.068 27.581 -42.141 1.00 0.00 C ATOM 0 H VAL A 7 -15.605 25.280 -43.338 1.00 0.00 H new ATOM 0 HA VAL A 7 -16.824 27.782 -43.167 1.00 0.00 H new ATOM 0 HB VAL A 7 -18.245 25.658 -41.741 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -18.488 26.835 -39.596 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.813 26.302 -39.871 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.253 28.010 -40.105 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -19.939 27.428 -41.504 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -18.763 28.626 -42.093 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -19.321 27.323 -43.170 1.00 0.00 H new ATOM 100 N LEU A 8 -14.822 25.992 -41.284 1.00 0.00 N ATOM 101 CA LEU A 8 -13.640 26.044 -40.429 1.00 0.00 C ATOM 102 C LEU A 8 -12.508 26.802 -41.113 1.00 0.00 C ATOM 103 O LEU A 8 -11.552 27.229 -40.465 1.00 0.00 O ATOM 104 CB LEU A 8 -13.180 24.629 -40.075 1.00 0.00 C ATOM 105 CG LEU A 8 -12.218 24.513 -38.893 1.00 0.00 C ATOM 106 CD1 LEU A 8 -12.921 23.903 -37.690 1.00 0.00 C ATOM 107 CD2 LEU A 8 -11.000 23.685 -39.276 1.00 0.00 C ATOM 0 H LEU A 8 -15.100 25.051 -41.561 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.906 26.572 -39.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.062 24.025 -39.861 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.701 24.194 -40.952 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.883 25.514 -38.623 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.220 23.828 -36.858 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.761 24.534 -37.401 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.286 22.909 -37.947 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.326 23.613 -38.422 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.318 22.686 -39.573 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.482 24.163 -40.108 1.00 0.00 H new ATOM 119 N LYS A 9 -12.624 26.971 -42.427 1.00 0.00 N ATOM 120 CA LYS A 9 -11.612 27.682 -43.199 1.00 0.00 C ATOM 121 C LYS A 9 -11.972 29.159 -43.340 1.00 0.00 C ATOM 122 O LYS A 9 -11.222 29.937 -43.925 1.00 0.00 O ATOM 123 CB LYS A 9 -11.461 27.049 -44.584 1.00 0.00 C ATOM 124 CG LYS A 9 -10.586 25.807 -44.594 1.00 0.00 C ATOM 125 CD LYS A 9 -11.403 24.553 -44.858 1.00 0.00 C ATOM 126 CE LYS A 9 -10.536 23.304 -44.807 1.00 0.00 C ATOM 127 NZ LYS A 9 -11.097 22.206 -45.644 1.00 0.00 N1+ ATOM 0 H LYS A 9 -13.409 26.625 -42.979 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.664 27.607 -42.666 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.449 26.790 -44.965 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.039 27.786 -45.267 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.816 25.909 -45.359 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.073 25.714 -43.637 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.201 24.474 -44.119 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.880 24.627 -45.835 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.530 23.545 -45.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.447 22.965 -43.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.478 21.372 -45.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.047 21.958 -45.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.158 22.520 -46.633 1.00 0.00 H new ATOM 141 N GLY A 10 -13.125 29.535 -42.795 1.00 0.00 N ATOM 142 CA GLY A 10 -13.563 30.917 -42.869 1.00 0.00 C ATOM 143 C GLY A 10 -14.120 31.419 -41.553 1.00 0.00 C ATOM 144 O GLY A 10 -15.195 32.017 -41.513 1.00 0.00 O ATOM 0 H GLY A 10 -13.763 28.908 -42.304 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.724 31.545 -43.168 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.325 31.013 -43.643 1.00 0.00 H new ATOM 148 N ASP A 11 -13.387 31.178 -40.470 1.00 0.00 N ATOM 149 CA ASP A 11 -13.814 31.610 -39.145 1.00 0.00 C ATOM 150 C ASP A 11 -12.646 32.205 -38.364 1.00 0.00 C ATOM 151 O ASP A 11 -12.664 32.245 -37.134 1.00 0.00 O ATOM 152 CB ASP A 11 -14.415 30.435 -38.372 1.00 0.00 C ATOM 153 CG ASP A 11 -15.672 30.822 -37.615 1.00 0.00 C ATOM 154 OD1 ASP A 11 -16.439 31.661 -38.133 1.00 0.00 O ATOM 155 OD2 ASP A 11 -15.888 30.287 -36.508 1.00 0.00 O1- ATOM 0 H ASP A 11 -12.494 30.685 -40.485 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.575 32.381 -39.269 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.647 29.627 -39.066 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.676 30.049 -37.670 1.00 0.00 H new ATOM 160 N GLY A 12 -11.629 32.663 -39.088 1.00 0.00 N ATOM 161 CA GLY A 12 -10.466 33.247 -38.447 1.00 0.00 C ATOM 162 C GLY A 12 -9.747 32.264 -37.543 1.00 0.00 C ATOM 163 O GLY A 12 -9.402 32.575 -36.403 1.00 0.00 O ATOM 0 H GLY A 12 -11.590 32.640 -40.107 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.776 33.605 -39.211 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.774 34.114 -37.863 1.00 0.00 H new ATOM 167 N PRO A 13 -9.513 31.047 -38.053 1.00 0.00 N ATOM 168 CA PRO A 13 -8.830 29.991 -37.300 1.00 0.00 C ATOM 169 C PRO A 13 -7.350 30.294 -37.089 1.00 0.00 C ATOM 170 O PRO A 13 -6.959 30.829 -36.051 1.00 0.00 O ATOM 171 CB PRO A 13 -9.001 28.754 -38.189 1.00 0.00 C ATOM 172 CG PRO A 13 -9.173 29.298 -39.565 1.00 0.00 C ATOM 173 CD PRO A 13 -9.897 30.608 -39.405 1.00 0.00 C ATOM 0 HA PRO A 13 -9.242 29.873 -36.298 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.132 28.099 -38.128 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.866 28.165 -37.885 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.208 29.442 -40.051 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.744 28.610 -40.188 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.594 31.330 -40.163 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.976 30.484 -39.496 1.00 0.00 H new ATOM 181 N VAL A 14 -6.534 29.949 -38.079 1.00 0.00 N ATOM 182 CA VAL A 14 -5.097 30.187 -38.002 1.00 0.00 C ATOM 183 C VAL A 14 -4.745 31.593 -38.471 1.00 0.00 C ATOM 184 O VAL A 14 -3.649 32.088 -38.214 1.00 0.00 O ATOM 185 CB VAL A 14 -4.313 29.164 -38.845 1.00 0.00 C ATOM 186 CG1 VAL A 14 -4.631 27.745 -38.398 1.00 0.00 C ATOM 187 CG2 VAL A 14 -4.620 29.348 -40.325 1.00 0.00 C ATOM 0 H VAL A 14 -6.842 29.504 -38.943 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.814 30.077 -36.955 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.247 29.335 -38.693 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.067 27.037 -39.006 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.356 27.623 -37.350 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.698 27.556 -38.517 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.058 28.617 -40.907 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.687 29.205 -40.496 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.335 30.354 -40.633 1.00 0.00 H new ATOM 197 N GLN A 15 -5.684 32.232 -39.162 1.00 0.00 N ATOM 198 CA GLN A 15 -5.474 33.582 -39.669 1.00 0.00 C ATOM 199 C GLN A 15 -6.069 34.619 -38.722 1.00 0.00 C ATOM 200 O GLN A 15 -5.459 35.654 -38.453 1.00 0.00 O ATOM 201 CB GLN A 15 -6.093 33.731 -41.060 1.00 0.00 C ATOM 202 CG GLN A 15 -5.632 34.974 -41.802 1.00 0.00 C ATOM 203 CD GLN A 15 -4.256 34.810 -42.418 1.00 0.00 C ATOM 204 OE1 GLN A 15 -4.027 33.908 -43.224 1.00 0.00 O ATOM 205 NE2 GLN A 15 -3.330 35.684 -42.041 1.00 0.00 N ATOM 0 H GLN A 15 -6.598 31.836 -39.383 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.400 33.753 -39.737 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.846 32.851 -41.654 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.178 33.757 -40.964 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.351 35.212 -42.586 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.619 35.819 -41.114 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.563 36.416 -41.370 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.386 35.623 -42.422 1.00 0.00 H new ATOM 214 N GLY A 16 -7.266 34.334 -38.218 1.00 0.00 N ATOM 215 CA GLY A 16 -7.925 35.250 -37.307 1.00 0.00 C ATOM 216 C GLY A 16 -7.298 35.246 -35.926 1.00 0.00 C ATOM 217 O GLY A 16 -7.327 36.254 -35.221 1.00 0.00 O ATOM 0 H GLY A 16 -7.791 33.484 -38.425 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.884 36.259 -37.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.978 34.981 -37.225 1.00 0.00 H new ATOM 221 N ILE A 17 -6.731 34.109 -35.539 1.00 0.00 N ATOM 222 CA ILE A 17 -6.097 33.978 -34.233 1.00 0.00 C ATOM 223 C ILE A 17 -4.657 34.483 -34.270 1.00 0.00 C ATOM 224 O ILE A 17 -4.121 34.932 -33.256 1.00 0.00 O ATOM 225 CB ILE A 17 -6.104 32.516 -33.748 1.00 0.00 C ATOM 226 CG1 ILE A 17 -6.082 32.464 -32.219 1.00 0.00 C ATOM 227 CG2 ILE A 17 -4.917 31.760 -34.325 1.00 0.00 C ATOM 228 CD1 ILE A 17 -7.411 32.811 -31.584 1.00 0.00 C ATOM 0 H ILE A 17 -6.697 33.265 -36.111 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.676 34.585 -33.537 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.019 32.037 -34.097 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.787 31.464 -31.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.322 33.153 -31.851 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.936 30.729 -33.973 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.972 31.773 -35.414 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.991 32.236 -34.003 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.322 32.754 -30.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.699 33.822 -31.872 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.171 32.107 -31.923 1.00 0.00 H new ATOM 240 N ILE A 18 -4.038 34.406 -35.444 1.00 0.00 N ATOM 241 CA ILE A 18 -2.663 34.858 -35.612 1.00 0.00 C ATOM 242 C ILE A 18 -2.543 36.356 -35.362 1.00 0.00 C ATOM 243 O ILE A 18 -1.535 36.830 -34.839 1.00 0.00 O ATOM 244 CB ILE A 18 -2.134 34.541 -37.023 1.00 0.00 C ATOM 245 CG1 ILE A 18 -1.341 33.233 -37.013 1.00 0.00 C ATOM 246 CG2 ILE A 18 -1.275 35.685 -37.537 1.00 0.00 C ATOM 247 CD1 ILE A 18 -0.066 33.308 -36.203 1.00 0.00 C ATOM 0 H ILE A 18 -4.467 34.035 -36.292 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.063 34.320 -34.878 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.984 34.422 -37.695 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.971 32.438 -36.612 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.095 32.958 -38.039 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.909 35.445 -38.535 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.870 36.597 -37.578 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.429 35.834 -36.866 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.445 32.346 -36.240 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.583 34.080 -36.617 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.306 33.552 -35.168 1.00 0.00 H new ATOM 259 N ASN A 19 -3.580 37.100 -35.737 1.00 0.00 N ATOM 260 CA ASN A 19 -3.591 38.547 -35.552 1.00 0.00 C ATOM 261 C ASN A 19 -4.291 38.923 -34.251 1.00 0.00 C ATOM 262 O ASN A 19 -4.042 39.987 -33.685 1.00 0.00 O ATOM 263 CB ASN A 19 -4.284 39.227 -36.735 1.00 0.00 C ATOM 264 CG ASN A 19 -3.309 39.955 -37.637 1.00 0.00 C ATOM 265 OD1 ASN A 19 -2.388 40.624 -37.164 1.00 0.00 O ATOM 266 ND2 ASN A 19 -3.505 39.830 -38.944 1.00 0.00 N ATOM 0 H ASN A 19 -4.423 36.724 -36.171 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.558 38.891 -35.499 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.822 38.478 -37.316 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.025 39.933 -36.361 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.880 40.298 -39.600 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.280 39.266 -39.292 1.00 0.00 H new ATOM 273 N PHE A 20 -5.167 38.042 -33.780 1.00 0.00 N ATOM 274 CA PHE A 20 -5.904 38.281 -32.545 1.00 0.00 C ATOM 275 C PHE A 20 -5.052 37.938 -31.327 1.00 0.00 C ATOM 276 O PHE A 20 -5.130 38.604 -30.296 1.00 0.00 O ATOM 277 CB PHE A 20 -7.194 37.458 -32.529 1.00 0.00 C ATOM 278 CG PHE A 20 -8.355 38.145 -33.187 1.00 0.00 C ATOM 279 CD1 PHE A 20 -8.174 38.872 -34.354 1.00 0.00 C ATOM 280 CD2 PHE A 20 -9.625 38.068 -32.639 1.00 0.00 C ATOM 281 CE1 PHE A 20 -9.241 39.507 -34.964 1.00 0.00 C ATOM 282 CE2 PHE A 20 -10.694 38.702 -33.245 1.00 0.00 C ATOM 283 CZ PHE A 20 -10.503 39.422 -34.408 1.00 0.00 C ATOM 0 H PHE A 20 -5.384 37.155 -34.235 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.157 39.340 -32.501 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.014 36.507 -33.030 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.456 37.229 -31.496 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.189 38.943 -34.791 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.782 37.507 -31.729 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.088 40.069 -35.874 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.679 38.634 -32.808 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.338 39.917 -34.882 1.00 0.00 H new ATOM 293 N GLU A 21 -4.239 36.894 -31.457 1.00 0.00 N ATOM 294 CA GLU A 21 -3.372 36.461 -30.366 1.00 0.00 C ATOM 295 C GLU A 21 -2.058 37.237 -30.375 1.00 0.00 C ATOM 296 O GLU A 21 -1.281 37.171 -29.423 1.00 0.00 O ATOM 297 CB GLU A 21 -3.093 34.962 -30.472 1.00 0.00 C ATOM 298 CG GLU A 21 -2.606 34.341 -29.175 1.00 0.00 C ATOM 299 CD GLU A 21 -3.745 33.864 -28.293 1.00 0.00 C ATOM 300 OE1 GLU A 21 -4.624 34.687 -27.966 1.00 0.00 O ATOM 301 OE2 GLU A 21 -3.756 32.670 -27.929 1.00 0.00 O1- ATOM 0 H GLU A 21 -4.162 36.333 -32.305 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.886 36.662 -29.426 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.003 34.453 -30.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.347 34.794 -31.248 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.951 33.500 -29.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.009 35.071 -28.628 1.00 0.00 H new ATOM 308 N GLN A 22 -1.818 37.971 -31.457 1.00 0.00 N ATOM 309 CA GLN A 22 -0.597 38.757 -31.592 1.00 0.00 C ATOM 310 C GLN A 22 -0.855 40.223 -31.259 1.00 0.00 C ATOM 311 O GLN A 22 -0.023 40.886 -30.640 1.00 0.00 O ATOM 312 CB GLN A 22 -0.040 38.634 -33.011 1.00 0.00 C ATOM 313 CG GLN A 22 1.320 39.291 -33.188 1.00 0.00 C ATOM 314 CD GLN A 22 2.459 38.290 -33.165 1.00 0.00 C ATOM 315 OE1 GLN A 22 2.296 37.157 -32.712 1.00 0.00 O ATOM 316 NE2 GLN A 22 3.621 38.704 -33.657 1.00 0.00 N ATOM 0 H GLN A 22 -2.453 38.038 -32.253 1.00 0.00 H new ATOM 0 HA GLN A 22 0.137 38.366 -30.887 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.039 37.579 -33.272 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.745 39.083 -33.710 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.337 39.833 -34.133 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.470 40.025 -32.397 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.711 39.652 -34.022 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.423 38.074 -33.669 1.00 0.00 H new ATOM 325 N LYS A 23 -2.014 40.724 -31.675 1.00 0.00 N ATOM 326 CA LYS A 23 -2.384 42.111 -31.421 1.00 0.00 C ATOM 327 C LYS A 23 -2.920 42.281 -30.004 1.00 0.00 C ATOM 328 O LYS A 23 -2.727 43.324 -29.379 1.00 0.00 O ATOM 329 CB LYS A 23 -3.434 42.575 -32.434 1.00 0.00 C ATOM 330 CG LYS A 23 -2.914 42.646 -33.858 1.00 0.00 C ATOM 331 CD LYS A 23 -1.838 43.708 -34.008 1.00 0.00 C ATOM 332 CE LYS A 23 -0.570 43.135 -34.622 1.00 0.00 C ATOM 333 NZ LYS A 23 0.396 42.684 -33.581 1.00 0.00 N1+ ATOM 0 H LYS A 23 -2.713 40.189 -32.190 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.489 42.724 -31.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.285 41.895 -32.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.800 43.559 -32.140 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.511 41.676 -34.148 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.739 42.864 -34.537 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.211 44.520 -34.633 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.609 44.136 -33.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.827 42.295 -35.268 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.099 43.889 -35.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.356 42.671 -33.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.366 43.338 -32.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.141 41.728 -33.262 1.00 0.00 H new ATOM 347 N GLU A 24 -3.591 41.249 -29.502 1.00 0.00 N ATOM 348 CA GLU A 24 -4.152 41.285 -28.157 1.00 0.00 C ATOM 349 C GLU A 24 -3.143 40.780 -27.131 1.00 0.00 C ATOM 350 O GLU A 24 -3.475 40.581 -25.962 1.00 0.00 O ATOM 351 CB GLU A 24 -5.429 40.444 -28.090 1.00 0.00 C ATOM 352 CG GLU A 24 -6.475 40.999 -27.140 1.00 0.00 C ATOM 353 CD GLU A 24 -7.619 40.033 -26.903 1.00 0.00 C ATOM 354 OE1 GLU A 24 -7.425 38.817 -27.111 1.00 0.00 O ATOM 355 OE2 GLU A 24 -8.712 40.493 -26.508 1.00 0.00 O1- ATOM 0 H GLU A 24 -3.759 40.378 -30.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.395 42.321 -27.921 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.859 40.372 -29.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.171 39.431 -27.781 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.004 41.239 -26.187 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.869 41.931 -27.544 1.00 0.00 H new ATOM 362 N SER A 25 -1.908 40.574 -27.576 1.00 0.00 N ATOM 363 CA SER A 25 -0.849 40.088 -26.699 1.00 0.00 C ATOM 364 C SER A 25 0.291 41.097 -26.612 1.00 0.00 C ATOM 365 O SER A 25 1.376 40.783 -26.122 1.00 0.00 O ATOM 366 CB SER A 25 -0.319 38.744 -27.202 1.00 0.00 C ATOM 367 OG SER A 25 -1.163 37.677 -26.796 1.00 0.00 O ATOM 0 H SER A 25 -1.616 40.736 -28.540 1.00 0.00 H new ATOM 0 HA SER A 25 -1.269 39.955 -25.702 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.248 38.762 -28.290 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.688 38.581 -26.819 1.00 0.00 H new ATOM 0 HG SER A 25 -1.475 37.188 -27.586 1.00 0.00 H new ATOM 373 N ASN A 26 0.037 42.309 -27.091 1.00 0.00 N ATOM 374 CA ASN A 26 1.042 43.366 -27.069 1.00 0.00 C ATOM 375 C ASN A 26 0.517 44.630 -27.743 1.00 0.00 C ATOM 376 O ASN A 26 0.892 45.743 -27.376 1.00 0.00 O ATOM 377 CB ASN A 26 2.321 42.896 -27.765 1.00 0.00 C ATOM 378 CG ASN A 26 3.492 42.784 -26.807 1.00 0.00 C ATOM 379 OD1 ASN A 26 3.651 43.605 -25.903 1.00 0.00 O ATOM 380 ND2 ASN A 26 4.319 41.764 -27.001 1.00 0.00 N ATOM 0 H ASN A 26 -0.856 42.585 -27.499 1.00 0.00 H new ATOM 0 HA ASN A 26 1.267 43.598 -26.028 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.143 41.927 -28.232 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.574 43.593 -28.564 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.124 41.637 -26.388 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.149 41.107 -27.763 1.00 0.00 H new ATOM 387 N GLY A 27 -0.352 44.450 -28.732 1.00 0.00 N ATOM 388 CA GLY A 27 -0.914 45.583 -29.441 1.00 0.00 C ATOM 389 C GLY A 27 -1.727 46.489 -28.535 1.00 0.00 C ATOM 390 O GLY A 27 -1.502 46.557 -27.327 1.00 0.00 O ATOM 0 H GLY A 27 -0.677 43.539 -29.055 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.108 46.158 -29.897 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.547 45.223 -30.252 1.00 0.00 H new ATOM 394 N PRO A 28 -2.695 47.207 -29.127 1.00 0.00 N ATOM 395 CA PRO A 28 -3.562 48.127 -28.382 1.00 0.00 C ATOM 396 C PRO A 28 -4.532 47.393 -27.461 1.00 0.00 C ATOM 397 O PRO A 28 -5.731 47.665 -27.463 1.00 0.00 O ATOM 398 CB PRO A 28 -4.326 48.863 -29.487 1.00 0.00 C ATOM 399 CG PRO A 28 -4.321 47.922 -30.642 1.00 0.00 C ATOM 400 CD PRO A 28 -3.018 47.174 -30.562 1.00 0.00 C ATOM 0 HA PRO A 28 -2.992 48.785 -27.726 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.343 49.101 -29.174 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.842 49.806 -29.742 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.168 47.237 -30.591 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.404 48.462 -31.585 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.118 46.152 -30.928 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.242 47.653 -31.160 1.00 0.00 H new ATOM 408 N VAL A 29 -4.002 46.460 -26.676 1.00 0.00 N ATOM 409 CA VAL A 29 -4.820 45.689 -25.747 1.00 0.00 C ATOM 410 C VAL A 29 -4.045 45.355 -24.478 1.00 0.00 C ATOM 411 O VAL A 29 -4.443 45.734 -23.375 1.00 0.00 O ATOM 412 CB VAL A 29 -5.317 44.381 -26.391 1.00 0.00 C ATOM 413 CG1 VAL A 29 -6.334 43.695 -25.493 1.00 0.00 C ATOM 414 CG2 VAL A 29 -5.908 44.656 -27.765 1.00 0.00 C ATOM 0 H VAL A 29 -3.011 46.220 -26.665 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.679 46.310 -25.491 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.466 43.711 -26.513 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.673 42.773 -25.965 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.873 43.463 -24.533 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.186 44.357 -25.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.254 43.721 -28.206 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.747 45.345 -27.669 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.147 45.100 -28.406 1.00 0.00 H new ATOM 424 N LYS A 30 -2.935 44.642 -24.640 1.00 0.00 N ATOM 425 CA LYS A 30 -2.099 44.258 -23.507 1.00 0.00 C ATOM 426 C LYS A 30 -1.457 45.482 -22.865 1.00 0.00 C ATOM 427 O LYS A 30 -1.500 45.650 -21.646 1.00 0.00 O ATOM 428 CB LYS A 30 -1.016 43.275 -23.957 1.00 0.00 C ATOM 429 CG LYS A 30 -0.168 42.741 -22.816 1.00 0.00 C ATOM 430 CD LYS A 30 0.986 41.895 -23.328 1.00 0.00 C ATOM 431 CE LYS A 30 0.630 40.417 -23.345 1.00 0.00 C ATOM 432 NZ LYS A 30 1.828 39.560 -23.571 1.00 0.00 N1+ ATOM 0 H LYS A 30 -2.593 44.318 -25.545 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.734 43.774 -22.765 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.488 42.437 -24.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.367 43.768 -24.681 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.222 43.574 -22.230 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.789 42.145 -22.148 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.256 42.217 -24.334 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.861 42.052 -22.698 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.162 40.145 -22.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.104 40.229 -24.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.582 38.565 -23.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.150 39.666 -24.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.589 39.850 -22.925 1.00 0.00 H new ATOM 446 N VAL A 31 -0.862 46.335 -23.692 1.00 0.00 N ATOM 447 CA VAL A 31 -0.211 47.545 -23.205 1.00 0.00 C ATOM 448 C VAL A 31 -1.204 48.452 -22.488 1.00 0.00 C ATOM 449 O VAL A 31 -0.818 49.304 -21.689 1.00 0.00 O ATOM 450 CB VAL A 31 0.447 48.332 -24.355 1.00 0.00 C ATOM 451 CG1 VAL A 31 1.088 49.607 -23.831 1.00 0.00 C ATOM 452 CG2 VAL A 31 1.472 47.466 -25.073 1.00 0.00 C ATOM 0 H VAL A 31 -0.817 46.210 -24.703 1.00 0.00 H new ATOM 0 HA VAL A 31 0.561 47.228 -22.504 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.326 48.611 -25.071 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.548 50.149 -24.657 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.326 50.232 -23.365 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.850 49.355 -23.094 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.927 48.037 -25.882 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.244 47.156 -24.369 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.980 46.584 -25.483 1.00 0.00 H new ATOM 462 N TRP A 32 -2.486 48.261 -22.778 1.00 0.00 N ATOM 463 CA TRP A 32 -3.536 49.063 -22.159 1.00 0.00 C ATOM 464 C TRP A 32 -3.459 48.982 -20.639 1.00 0.00 C ATOM 465 O TRP A 32 -3.326 49.999 -19.960 1.00 0.00 O ATOM 466 CB TRP A 32 -4.912 48.593 -22.637 1.00 0.00 C ATOM 467 CG TRP A 32 -5.892 49.714 -22.817 1.00 0.00 C ATOM 468 CD1 TRP A 32 -6.959 50.005 -22.019 1.00 0.00 C ATOM 469 CD2 TRP A 32 -5.894 50.690 -23.866 1.00 0.00 C ATOM 470 NE1 TRP A 32 -7.625 51.104 -22.506 1.00 0.00 N ATOM 471 CE2 TRP A 32 -6.991 51.543 -23.637 1.00 0.00 C ATOM 472 CE3 TRP A 32 -5.074 50.927 -24.972 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -7.289 52.613 -24.477 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -5.371 51.989 -25.805 1.00 0.00 C ATOM 475 CH2 TRP A 32 -6.470 52.822 -25.554 1.00 0.00 C ATOM 0 H TRP A 32 -2.823 47.559 -23.437 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.389 50.101 -22.457 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.799 48.063 -23.583 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.315 47.880 -21.918 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.239 49.453 -21.134 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -8.457 51.524 -22.092 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.224 50.292 -25.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.136 53.255 -24.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -4.745 52.180 -26.664 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -6.675 53.645 -26.223 1.00 0.00 H new ATOM 486 N GLY A 33 -3.543 47.765 -20.109 1.00 0.00 N ATOM 487 CA GLY A 33 -3.480 47.575 -18.672 1.00 0.00 C ATOM 488 C GLY A 33 -3.232 46.129 -18.288 1.00 0.00 C ATOM 489 O GLY A 33 -3.483 45.731 -17.152 1.00 0.00 O ATOM 0 H GLY A 33 -3.654 46.907 -20.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.686 48.198 -18.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.414 47.912 -18.223 1.00 0.00 H new ATOM 493 N SER A 34 -2.740 45.343 -19.238 1.00 0.00 N ATOM 494 CA SER A 34 -2.465 43.932 -18.996 1.00 0.00 C ATOM 495 C SER A 34 -1.105 43.751 -18.325 1.00 0.00 C ATOM 496 O SER A 34 -1.020 43.286 -17.188 1.00 0.00 O ATOM 497 CB SER A 34 -2.503 43.149 -20.311 1.00 0.00 C ATOM 498 OG SER A 34 -2.230 41.775 -20.095 1.00 0.00 O ATOM 0 H SER A 34 -2.523 45.659 -20.183 1.00 0.00 H new ATOM 0 HA SER A 34 -3.236 43.547 -18.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.483 43.260 -20.775 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.772 43.563 -21.006 1.00 0.00 H new ATOM 0 HG SER A 34 -2.417 41.272 -20.915 1.00 0.00 H new ATOM 504 N ILE A 35 -0.047 44.122 -19.037 1.00 0.00 N ATOM 505 CA ILE A 35 1.307 44.004 -18.510 1.00 0.00 C ATOM 506 C ILE A 35 1.460 44.780 -17.209 1.00 0.00 C ATOM 507 O ILE A 35 2.422 44.583 -16.462 1.00 0.00 O ATOM 508 CB ILE A 35 2.352 44.509 -19.523 1.00 0.00 C ATOM 509 CG1 ILE A 35 1.935 45.871 -20.082 1.00 0.00 C ATOM 510 CG2 ILE A 35 2.528 43.501 -20.650 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.009 46.537 -20.912 1.00 0.00 C ATOM 0 H ILE A 35 -0.101 44.507 -19.980 1.00 0.00 H new ATOM 0 HA ILE A 35 1.480 42.945 -18.320 1.00 0.00 H new ATOM 0 HB ILE A 35 3.307 44.623 -19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.041 45.746 -20.692 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.667 46.528 -19.254 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.269 43.872 -21.358 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.864 42.549 -20.238 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.577 43.359 -21.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.644 47.498 -21.276 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.897 46.694 -20.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.261 45.900 -21.760 1.00 0.00 H new ATOM 523 N LYS A 36 0.506 45.665 -16.937 1.00 0.00 N ATOM 524 CA LYS A 36 0.532 46.471 -15.722 1.00 0.00 C ATOM 525 C LYS A 36 -0.705 46.210 -14.871 1.00 0.00 C ATOM 526 O LYS A 36 -1.008 46.968 -13.950 1.00 0.00 O ATOM 527 CB LYS A 36 0.618 47.958 -16.075 1.00 0.00 C ATOM 528 CG LYS A 36 2.042 48.472 -16.202 1.00 0.00 C ATOM 529 CD LYS A 36 2.528 48.414 -17.640 1.00 0.00 C ATOM 530 CE LYS A 36 3.388 49.620 -17.988 1.00 0.00 C ATOM 531 NZ LYS A 36 3.360 49.921 -19.445 1.00 0.00 N1+ ATOM 0 H LYS A 36 -0.295 45.842 -17.543 1.00 0.00 H new ATOM 0 HA LYS A 36 1.413 46.189 -15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.093 48.131 -17.015 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.099 48.535 -15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.093 49.499 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.702 47.879 -15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.102 47.500 -17.794 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.672 48.370 -18.313 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.037 50.489 -17.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.416 49.435 -17.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.958 50.749 -19.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.719 49.102 -19.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.383 50.123 -19.739 1.00 0.00 H new ATOM 545 N GLY A 37 -1.418 45.132 -15.182 1.00 0.00 N ATOM 546 CA GLY A 37 -2.614 44.791 -14.434 1.00 0.00 C ATOM 547 C GLY A 37 -2.933 43.310 -14.498 1.00 0.00 C ATOM 548 O GLY A 37 -2.943 42.625 -13.475 1.00 0.00 O ATOM 0 H GLY A 37 -1.189 44.488 -15.939 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.485 45.087 -13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.458 45.359 -14.825 1.00 0.00 H new ATOM 552 N LEU A 38 -3.196 42.816 -15.702 1.00 0.00 N ATOM 553 CA LEU A 38 -3.521 41.406 -15.896 1.00 0.00 C ATOM 554 C LEU A 38 -2.288 40.530 -15.694 1.00 0.00 C ATOM 555 O LEU A 38 -2.286 39.626 -14.860 1.00 0.00 O ATOM 556 CB LEU A 38 -4.097 41.182 -17.295 1.00 0.00 C ATOM 557 CG LEU A 38 -5.253 40.187 -17.393 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.516 40.773 -16.782 1.00 0.00 C ATOM 559 CD2 LEU A 38 -5.495 39.791 -18.844 1.00 0.00 C ATOM 0 H LEU A 38 -3.191 43.370 -16.559 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.268 41.126 -15.154 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.436 42.142 -17.684 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.293 40.840 -17.947 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.984 39.292 -16.832 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.328 40.050 -16.861 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.338 41.005 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.789 41.684 -17.314 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.321 39.082 -18.895 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.742 40.678 -19.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.595 39.329 -19.250 1.00 0.00 H new ATOM 571 N THR A 39 -1.241 40.809 -16.464 1.00 0.00 N ATOM 572 CA THR A 39 -0.001 40.047 -16.369 1.00 0.00 C ATOM 573 C THR A 39 0.872 40.558 -15.229 1.00 0.00 C ATOM 574 O THR A 39 1.799 39.876 -14.794 1.00 0.00 O ATOM 575 CB THR A 39 0.800 40.114 -17.685 1.00 0.00 C ATOM 576 OG1 THR A 39 -0.084 39.988 -18.803 1.00 0.00 O ATOM 577 CG2 THR A 39 1.850 39.014 -17.733 1.00 0.00 C ATOM 0 H THR A 39 -1.226 41.555 -17.159 1.00 0.00 H new ATOM 0 HA THR A 39 -0.279 39.011 -16.173 1.00 0.00 H new ATOM 0 HB THR A 39 1.305 41.079 -17.731 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.593 40.818 -18.912 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.403 39.080 -18.670 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.538 39.131 -16.896 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.362 38.042 -17.668 1.00 0.00 H new ATOM 585 N GLU A 40 0.569 41.759 -14.749 1.00 0.00 N ATOM 586 CA GLU A 40 1.327 42.360 -13.659 1.00 0.00 C ATOM 587 C GLU A 40 0.673 42.063 -12.313 1.00 0.00 C ATOM 588 O GLU A 40 1.345 42.016 -11.282 1.00 0.00 O ATOM 589 CB GLU A 40 1.441 43.873 -13.860 1.00 0.00 C ATOM 590 CG GLU A 40 1.280 44.670 -12.576 1.00 0.00 C ATOM 591 CD GLU A 40 1.757 46.103 -12.717 1.00 0.00 C ATOM 592 OE1 GLU A 40 2.817 46.317 -13.340 1.00 0.00 O ATOM 593 OE2 GLU A 40 1.070 47.010 -12.201 1.00 0.00 O1- ATOM 0 H GLU A 40 -0.197 42.335 -15.098 1.00 0.00 H new ATOM 0 HA GLU A 40 2.326 41.924 -13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.412 44.101 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.684 44.194 -14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.231 44.667 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.838 44.182 -11.777 1.00 0.00 H new ATOM 600 N GLY A 41 -0.640 41.861 -12.332 1.00 0.00 N ATOM 601 CA GLY A 41 -1.363 41.570 -11.107 1.00 0.00 C ATOM 602 C GLY A 41 -1.657 40.093 -10.945 1.00 0.00 C ATOM 603 O GLY A 41 -1.560 39.550 -9.842 1.00 0.00 O ATOM 0 H GLY A 41 -1.216 41.893 -13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.780 41.917 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.300 42.127 -11.101 1.00 0.00 H new ATOM 607 N LEU A 42 -2.021 39.438 -12.043 1.00 0.00 N ATOM 608 CA LEU A 42 -2.332 38.013 -12.017 1.00 0.00 C ATOM 609 C LEU A 42 -1.091 37.180 -12.321 1.00 0.00 C ATOM 610 O LEU A 42 -0.988 36.026 -11.903 1.00 0.00 O ATOM 611 CB LEU A 42 -3.434 37.695 -13.028 1.00 0.00 C ATOM 612 CG LEU A 42 -4.498 38.776 -13.224 1.00 0.00 C ATOM 613 CD1 LEU A 42 -5.378 38.446 -14.421 1.00 0.00 C ATOM 614 CD2 LEU A 42 -5.341 38.932 -11.967 1.00 0.00 C ATOM 0 H LEU A 42 -2.108 39.872 -12.962 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.681 37.759 -11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.968 37.494 -13.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.931 36.776 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.994 39.723 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.130 39.225 -14.546 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.763 38.387 -15.319 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.872 37.489 -14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.092 39.706 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.835 37.987 -11.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.700 39.215 -11.132 1.00 0.00 H new ATOM 626 N HIS A 43 -0.148 37.772 -13.048 1.00 0.00 N ATOM 627 CA HIS A 43 1.086 37.084 -13.406 1.00 0.00 C ATOM 628 C HIS A 43 2.302 37.853 -12.896 1.00 0.00 C ATOM 629 O HIS A 43 3.436 37.390 -13.013 1.00 0.00 O ATOM 630 CB HIS A 43 1.178 36.911 -14.922 1.00 0.00 C ATOM 631 CG HIS A 43 1.558 35.525 -15.344 1.00 0.00 C ATOM 632 ND1 HIS A 43 2.832 35.017 -15.201 1.00 0.00 N ATOM 633 CD2 HIS A 43 0.823 34.537 -15.907 1.00 0.00 C ATOM 634 CE1 HIS A 43 2.864 33.778 -15.659 1.00 0.00 C ATOM 635 NE2 HIS A 43 1.657 33.463 -16.092 1.00 0.00 N ATOM 0 H HIS A 43 -0.216 38.727 -13.400 1.00 0.00 H new ATOM 0 HA HIS A 43 1.074 36.100 -12.936 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.217 37.167 -15.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.910 37.616 -15.316 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.225 34.585 -16.163 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.730 33.133 -15.676 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.388 32.567 -16.498 1.00 0.00 H new ATOM 643 N GLY A 44 2.058 39.029 -12.328 1.00 0.00 N ATOM 644 CA GLY A 44 3.141 39.843 -11.810 1.00 0.00 C ATOM 645 C GLY A 44 3.084 39.994 -10.303 1.00 0.00 C ATOM 646 O GLY A 44 4.098 40.275 -9.661 1.00 0.00 O ATOM 0 H GLY A 44 1.128 39.433 -12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.094 39.395 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.103 40.829 -12.272 1.00 0.00 H new ATOM 650 N PHE A 45 1.897 39.807 -9.737 1.00 0.00 N ATOM 651 CA PHE A 45 1.711 39.926 -8.295 1.00 0.00 C ATOM 652 C PHE A 45 1.176 38.626 -7.706 1.00 0.00 C ATOM 653 O PHE A 45 1.300 38.376 -6.507 1.00 0.00 O ATOM 654 CB PHE A 45 0.750 41.075 -7.976 1.00 0.00 C ATOM 655 CG PHE A 45 0.203 41.028 -6.581 1.00 0.00 C ATOM 656 CD1 PHE A 45 -0.925 40.280 -6.288 1.00 0.00 C ATOM 657 CD2 PHE A 45 0.816 41.735 -5.558 1.00 0.00 C ATOM 658 CE1 PHE A 45 -1.433 40.236 -5.003 1.00 0.00 C ATOM 659 CE2 PHE A 45 0.314 41.694 -4.270 1.00 0.00 C ATOM 660 CZ PHE A 45 -0.811 40.943 -3.993 1.00 0.00 C ATOM 0 H PHE A 45 1.050 39.573 -10.254 1.00 0.00 H new ATOM 0 HA PHE A 45 2.682 40.136 -7.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.268 42.023 -8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.079 41.052 -8.684 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.414 39.724 -7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.696 42.325 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.315 39.650 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.801 42.249 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.204 40.909 -2.988 1.00 0.00 H new ATOM 670 N HIS A 46 0.579 37.797 -8.558 1.00 0.00 N ATOM 671 CA HIS A 46 0.026 36.521 -8.123 1.00 0.00 C ATOM 672 C HIS A 46 0.961 35.370 -8.488 1.00 0.00 C ATOM 673 O HIS A 46 1.071 34.390 -7.752 1.00 0.00 O ATOM 674 CB HIS A 46 -1.350 36.296 -8.754 1.00 0.00 C ATOM 675 CG HIS A 46 -1.788 34.864 -8.738 1.00 0.00 C ATOM 676 ND1 HIS A 46 -1.900 34.099 -9.880 1.00 0.00 N ATOM 677 CD2 HIS A 46 -2.142 34.057 -7.709 1.00 0.00 C ATOM 678 CE1 HIS A 46 -2.306 32.884 -9.555 1.00 0.00 C ATOM 679 NE2 HIS A 46 -2.459 32.832 -8.245 1.00 0.00 N ATOM 0 H HIS A 46 0.467 37.988 -9.554 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.080 36.550 -7.039 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.087 36.899 -8.224 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.331 36.650 -9.785 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.701 34.421 -10.827 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.170 34.326 -6.663 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.483 32.072 -10.244 1.00 0.00 H new ATOM 687 N VAL A 47 1.628 35.496 -9.630 1.00 0.00 N ATOM 688 CA VAL A 47 2.552 34.469 -10.093 1.00 0.00 C ATOM 689 C VAL A 47 3.999 34.870 -9.824 1.00 0.00 C ATOM 690 O VAL A 47 4.882 34.016 -9.729 1.00 0.00 O ATOM 691 CB VAL A 47 2.380 34.194 -11.598 1.00 0.00 C ATOM 692 CG1 VAL A 47 3.385 33.155 -12.070 1.00 0.00 C ATOM 693 CG2 VAL A 47 0.957 33.747 -11.899 1.00 0.00 C ATOM 0 H VAL A 47 1.545 36.300 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 47 2.319 33.561 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 47 2.568 35.120 -12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.248 32.974 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.397 33.520 -11.891 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.232 32.225 -11.522 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.854 33.557 -12.967 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.738 32.834 -11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.259 34.529 -11.600 1.00 0.00 H new ATOM 703 N HIS A 48 4.233 36.171 -9.699 1.00 0.00 N ATOM 704 CA HIS A 48 5.573 36.686 -9.440 1.00 0.00 C ATOM 705 C HIS A 48 5.629 37.403 -8.093 1.00 0.00 C ATOM 706 O HIS A 48 6.681 37.474 -7.461 1.00 0.00 O ATOM 707 CB HIS A 48 6.004 37.638 -10.556 1.00 0.00 C ATOM 708 CG HIS A 48 6.580 36.940 -11.750 1.00 0.00 C ATOM 709 ND1 HIS A 48 6.362 35.605 -12.018 1.00 0.00 N ATOM 710 CD2 HIS A 48 7.367 37.400 -12.748 1.00 0.00 C ATOM 711 CE1 HIS A 48 6.994 35.274 -13.131 1.00 0.00 C ATOM 712 NE2 HIS A 48 7.610 36.345 -13.594 1.00 0.00 N ATOM 0 H HIS A 48 3.512 36.889 -9.773 1.00 0.00 H new ATOM 0 HA HIS A 48 6.260 35.840 -9.411 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.144 38.229 -10.871 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.743 38.336 -10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.736 38.409 -12.860 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.004 34.294 -13.584 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.175 36.384 -14.442 1.00 0.00 H new ATOM 720 N GLU A 49 4.488 37.934 -7.664 1.00 0.00 N ATOM 721 CA GLU A 49 4.407 38.647 -6.395 1.00 0.00 C ATOM 722 C GLU A 49 5.477 39.734 -6.313 1.00 0.00 C ATOM 723 O GLU A 49 6.107 39.922 -5.273 1.00 0.00 O ATOM 724 CB GLU A 49 4.566 37.672 -5.226 1.00 0.00 C ATOM 725 CG GLU A 49 3.295 36.913 -4.891 1.00 0.00 C ATOM 726 CD GLU A 49 3.448 36.027 -3.670 1.00 0.00 C ATOM 727 OE1 GLU A 49 3.632 36.571 -2.560 1.00 0.00 O ATOM 728 OE2 GLU A 49 3.385 34.790 -3.824 1.00 0.00 O1- ATOM 0 H GLU A 49 3.608 37.884 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 49 3.427 39.120 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.354 36.957 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.892 38.224 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.486 37.624 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.006 36.301 -5.745 1.00 0.00 H new ATOM 735 N PHE A 50 5.672 40.445 -7.418 1.00 0.00 N ATOM 736 CA PHE A 50 6.666 41.513 -7.474 1.00 0.00 C ATOM 737 C PHE A 50 8.073 40.957 -7.273 1.00 0.00 C ATOM 738 O PHE A 50 8.965 41.655 -6.793 1.00 0.00 O ATOM 739 CB PHE A 50 6.366 42.571 -6.410 1.00 0.00 C ATOM 740 CG PHE A 50 6.381 43.974 -6.942 1.00 0.00 C ATOM 741 CD1 PHE A 50 5.482 44.370 -7.918 1.00 0.00 C ATOM 742 CD2 PHE A 50 7.296 44.902 -6.464 1.00 0.00 C ATOM 743 CE1 PHE A 50 5.492 45.662 -8.409 1.00 0.00 C ATOM 744 CE2 PHE A 50 7.308 46.195 -6.950 1.00 0.00 C ATOM 745 CZ PHE A 50 6.408 46.576 -7.924 1.00 0.00 C ATOM 0 H PHE A 50 5.156 40.302 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 50 6.615 41.974 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.389 42.367 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.099 42.487 -5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.764 43.660 -8.301 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.006 44.610 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.785 45.957 -9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.023 46.909 -6.567 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.419 47.586 -8.306 1.00 0.00 H new ATOM 755 N GLY A 51 8.264 39.695 -7.646 1.00 0.00 N ATOM 756 CA GLY A 51 9.563 39.066 -7.500 1.00 0.00 C ATOM 757 C GLY A 51 9.557 37.614 -7.934 1.00 0.00 C ATOM 758 O GLY A 51 9.847 37.303 -9.089 1.00 0.00 O ATOM 0 H GLY A 51 7.541 39.097 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.297 39.615 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.879 39.129 -6.459 1.00 0.00 H new ATOM 762 N ASP A 52 9.228 36.723 -7.005 1.00 0.00 N ATOM 763 CA ASP A 52 9.186 35.295 -7.297 1.00 0.00 C ATOM 764 C ASP A 52 8.384 34.547 -6.238 1.00 0.00 C ATOM 765 O ASP A 52 8.795 33.488 -5.766 1.00 0.00 O ATOM 766 CB ASP A 52 10.605 34.726 -7.376 1.00 0.00 C ATOM 767 CG ASP A 52 10.735 33.638 -8.423 1.00 0.00 C ATOM 768 OD1 ASP A 52 9.984 32.642 -8.341 1.00 0.00 O ATOM 769 OD2 ASP A 52 11.587 33.782 -9.325 1.00 0.00 O1- ATOM 0 H ASP A 52 8.987 36.964 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 52 8.695 35.161 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.304 35.531 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.887 34.325 -6.403 1.00 0.00 H new ATOM 774 N ASN A 53 7.237 35.107 -5.866 1.00 0.00 N ATOM 775 CA ASN A 53 6.376 34.493 -4.862 1.00 0.00 C ATOM 776 C ASN A 53 7.176 34.120 -3.615 1.00 0.00 C ATOM 777 O ASN A 53 6.862 33.147 -2.929 1.00 0.00 O ATOM 778 CB ASN A 53 5.696 33.248 -5.432 1.00 0.00 C ATOM 779 CG ASN A 53 5.045 33.511 -6.777 1.00 0.00 C ATOM 780 OD1 ASN A 53 4.856 34.662 -7.173 1.00 0.00 O ATOM 781 ND2 ASN A 53 4.697 32.444 -7.486 1.00 0.00 N ATOM 0 H ASN A 53 6.883 35.985 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 53 5.613 35.220 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.432 32.451 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.942 32.895 -4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.254 32.560 -8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.872 31.509 -7.119 1.00 0.00 H new ATOM 788 N THR A 54 8.212 34.904 -3.328 1.00 0.00 N ATOM 789 CA THR A 54 9.056 34.658 -2.166 1.00 0.00 C ATOM 790 C THR A 54 10.044 35.798 -1.953 1.00 0.00 C ATOM 791 O THR A 54 10.381 36.138 -0.819 1.00 0.00 O ATOM 792 CB THR A 54 9.838 33.338 -2.309 1.00 0.00 C ATOM 793 OG1 THR A 54 10.601 33.088 -1.123 1.00 0.00 O ATOM 794 CG2 THR A 54 10.767 33.385 -3.514 1.00 0.00 C ATOM 0 H THR A 54 8.486 35.714 -3.885 1.00 0.00 H new ATOM 0 HA THR A 54 8.393 34.589 -1.303 1.00 0.00 H new ATOM 0 HB THR A 54 9.119 32.532 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.093 32.247 -1.222 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.308 32.442 -3.593 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.181 33.545 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.478 34.202 -3.393 1.00 0.00 H new ATOM 802 N ALA A 55 10.504 36.389 -3.051 1.00 0.00 N ATOM 803 CA ALA A 55 11.452 37.496 -2.983 1.00 0.00 C ATOM 804 C ALA A 55 10.899 38.735 -3.675 1.00 0.00 C ATOM 805 O ALA A 55 11.646 39.521 -4.258 1.00 0.00 O ATOM 806 CB ALA A 55 12.781 37.091 -3.605 1.00 0.00 C ATOM 0 H ALA A 55 10.236 36.120 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 55 11.613 37.740 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.479 37.926 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.191 36.238 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.626 36.819 -4.649 1.00 0.00 H new ATOM 812 N GLY A 56 9.582 38.907 -3.609 1.00 0.00 N ATOM 813 CA GLY A 56 8.950 40.055 -4.234 1.00 0.00 C ATOM 814 C GLY A 56 7.943 40.728 -3.326 1.00 0.00 C ATOM 815 O GLY A 56 7.805 41.953 -3.340 1.00 0.00 O ATOM 0 H GLY A 56 8.941 38.272 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.716 40.776 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.453 39.738 -5.151 1.00 0.00 H new ATOM 819 N CYS A 57 7.237 39.932 -2.532 1.00 0.00 N ATOM 820 CA CYS A 57 6.233 40.459 -1.614 1.00 0.00 C ATOM 821 C CYS A 57 6.233 39.680 -0.303 1.00 0.00 C ATOM 822 O CYS A 57 5.251 39.691 0.440 1.00 0.00 O ATOM 823 CB CYS A 57 4.845 40.406 -2.253 1.00 0.00 C ATOM 824 SG CYS A 57 4.499 41.776 -3.382 1.00 0.00 S ATOM 0 H CYS A 57 7.341 38.918 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 57 6.485 41.498 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.743 39.467 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.093 40.401 -1.464 1.00 0.00 H new ATOM 0 HG CYS A 57 5.618 42.321 -3.758 1.00 0.00 H new ATOM 830 N THR A 58 7.342 39.002 -0.023 1.00 0.00 N ATOM 831 CA THR A 58 7.469 38.213 1.196 1.00 0.00 C ATOM 832 C THR A 58 8.922 38.129 1.647 1.00 0.00 C ATOM 833 O THR A 58 9.289 37.254 2.430 1.00 0.00 O ATOM 834 CB THR A 58 6.919 36.786 1.002 1.00 0.00 C ATOM 835 OG1 THR A 58 7.186 36.336 -0.331 1.00 0.00 O ATOM 836 CG2 THR A 58 5.423 36.741 1.269 1.00 0.00 C ATOM 0 H THR A 58 8.166 38.984 -0.625 1.00 0.00 H new ATOM 0 HA THR A 58 6.882 38.719 1.963 1.00 0.00 H new ATOM 0 HB THR A 58 7.417 36.128 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.583 35.596 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.058 35.724 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.227 37.056 2.294 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.910 37.411 0.579 1.00 0.00 H new ATOM 844 N SER A 59 9.746 39.045 1.148 1.00 0.00 N ATOM 845 CA SER A 59 11.161 39.073 1.499 1.00 0.00 C ATOM 846 C SER A 59 11.851 40.283 0.877 1.00 0.00 C ATOM 847 O SER A 59 12.774 40.852 1.461 1.00 0.00 O ATOM 848 CB SER A 59 11.848 37.787 1.036 1.00 0.00 C ATOM 849 OG SER A 59 13.031 37.545 1.776 1.00 0.00 O ATOM 0 H SER A 59 9.458 39.778 0.499 1.00 0.00 H new ATOM 0 HA SER A 59 11.240 39.149 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.165 36.945 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.088 37.861 -0.025 1.00 0.00 H new ATOM 0 HG SER A 59 13.450 36.717 1.462 1.00 0.00 H new ATOM 855 N ALA A 60 11.394 40.672 -0.309 1.00 0.00 N ATOM 856 CA ALA A 60 11.966 41.816 -1.010 1.00 0.00 C ATOM 857 C ALA A 60 11.536 43.128 -0.361 1.00 0.00 C ATOM 858 O ALA A 60 12.173 44.162 -0.549 1.00 0.00 O ATOM 859 CB ALA A 60 11.561 41.791 -2.477 1.00 0.00 C ATOM 0 H ALA A 60 10.630 40.212 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 60 13.052 41.748 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.994 42.650 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.923 40.873 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.475 41.832 -2.555 1.00 0.00 H new ATOM 865 N GLY A 61 10.450 43.076 0.403 1.00 0.00 N ATOM 866 CA GLY A 61 9.951 44.266 1.068 1.00 0.00 C ATOM 867 C GLY A 61 11.025 44.972 1.874 1.00 0.00 C ATOM 868 O GLY A 61 11.481 46.059 1.522 1.00 0.00 O ATOM 0 H GLY A 61 9.906 42.230 0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.549 44.953 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.127 43.992 1.727 1.00 0.00 H new ATOM 872 N PRO A 62 11.440 44.348 2.986 1.00 0.00 N ATOM 873 CA PRO A 62 12.469 44.904 3.868 1.00 0.00 C ATOM 874 C PRO A 62 13.852 44.893 3.226 1.00 0.00 C ATOM 875 O PRO A 62 14.333 43.848 2.785 1.00 0.00 O ATOM 876 CB PRO A 62 12.436 43.975 5.084 1.00 0.00 C ATOM 877 CG PRO A 62 11.904 42.686 4.558 1.00 0.00 C ATOM 878 CD PRO A 62 10.938 43.049 3.466 1.00 0.00 C ATOM 0 HA PRO A 62 12.276 45.950 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.430 43.848 5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.798 44.375 5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.709 42.060 4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.407 42.119 5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.930 42.303 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.917 43.126 3.841 1.00 0.00 H new ATOM 886 N HIS A 63 14.487 46.059 3.177 1.00 0.00 N ATOM 887 CA HIS A 63 15.816 46.182 2.589 1.00 0.00 C ATOM 888 C HIS A 63 16.432 47.538 2.918 1.00 0.00 C ATOM 889 O HIS A 63 15.821 48.360 3.601 1.00 0.00 O ATOM 890 CB HIS A 63 15.747 45.994 1.073 1.00 0.00 C ATOM 891 CG HIS A 63 16.119 44.615 0.623 1.00 0.00 C ATOM 892 ND1 HIS A 63 17.203 43.926 1.126 1.00 0.00 N ATOM 893 CD2 HIS A 63 15.545 43.797 -0.289 1.00 0.00 C ATOM 894 CE1 HIS A 63 17.280 42.744 0.542 1.00 0.00 C ATOM 895 NE2 HIS A 63 16.285 42.640 -0.321 1.00 0.00 N ATOM 0 H HIS A 63 14.103 46.932 3.537 1.00 0.00 H new ATOM 0 HA HIS A 63 16.448 45.403 3.015 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.736 46.218 0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.411 46.715 0.595 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.668 44.013 -0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 63 18.029 41.991 0.737 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.097 41.832 -0.914 1.00 0.00 H new ATOM 903 N PHE A 64 17.647 47.766 2.428 1.00 0.00 N ATOM 904 CA PHE A 64 18.348 49.021 2.670 1.00 0.00 C ATOM 905 C PHE A 64 17.746 50.148 1.835 1.00 0.00 C ATOM 906 O PHE A 64 17.586 51.272 2.313 1.00 0.00 O ATOM 907 CB PHE A 64 19.835 48.871 2.351 1.00 0.00 C ATOM 908 CG PHE A 64 20.736 49.373 3.441 1.00 0.00 C ATOM 909 CD1 PHE A 64 20.616 48.893 4.734 1.00 0.00 C ATOM 910 CD2 PHE A 64 21.706 50.326 3.171 1.00 0.00 C ATOM 911 CE1 PHE A 64 21.444 49.354 5.740 1.00 0.00 C ATOM 912 CE2 PHE A 64 22.538 50.792 4.173 1.00 0.00 C ATOM 913 CZ PHE A 64 22.406 50.304 5.459 1.00 0.00 C ATOM 0 H PHE A 64 18.166 47.096 1.860 1.00 0.00 H new ATOM 0 HA PHE A 64 18.236 49.273 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 64 20.054 47.820 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 64 20.057 49.410 1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 64 19.866 48.149 4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 64 21.813 50.709 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 64 21.339 48.972 6.745 1.00 0.00 H new ATOM 0 HE2 PHE A 64 23.289 51.536 3.951 1.00 0.00 H new ATOM 0 HZ PHE A 64 23.054 50.665 6.243 1.00 0.00 H new ATOM 923 N ASN A 65 17.416 49.840 0.585 1.00 0.00 N ATOM 924 CA ASN A 65 16.835 50.827 -0.319 1.00 0.00 C ATOM 925 C ASN A 65 15.902 50.160 -1.324 1.00 0.00 C ATOM 926 O ASN A 65 16.267 49.907 -2.474 1.00 0.00 O ATOM 927 CB ASN A 65 17.938 51.588 -1.055 1.00 0.00 C ATOM 928 CG ASN A 65 18.813 52.393 -0.112 1.00 0.00 C ATOM 929 OD1 ASN A 65 19.882 51.775 0.377 1.00 0.00 O flip ATOM 930 ND2 ASN A 65 18.530 53.557 0.172 1.00 0.00 N flip ATOM 0 H ASN A 65 17.541 48.915 0.175 1.00 0.00 H new ATOM 0 HA ASN A 65 16.254 51.531 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.558 50.881 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.487 52.257 -1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.698 53.992 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.127 54.087 0.807 1.00 0.00 H new ATOM 937 N PRO A 66 14.669 49.868 -0.886 1.00 0.00 N ATOM 938 CA PRO A 66 13.658 49.228 -1.733 1.00 0.00 C ATOM 939 C PRO A 66 13.154 50.153 -2.835 1.00 0.00 C ATOM 940 O PRO A 66 11.951 50.402 -2.948 1.00 0.00 O ATOM 941 CB PRO A 66 12.531 48.897 -0.753 1.00 0.00 C ATOM 942 CG PRO A 66 12.689 49.884 0.352 1.00 0.00 C ATOM 943 CD PRO A 66 14.166 50.140 0.470 1.00 0.00 C ATOM 0 HA PRO A 66 14.056 48.357 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 66 11.554 48.987 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.614 47.874 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.150 50.805 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.285 49.493 1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.373 51.165 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.629 49.486 1.209 1.00 0.00 H new ATOM 951 N LEU A 67 14.077 50.664 -3.642 1.00 0.00 N ATOM 952 CA LEU A 67 13.725 51.563 -4.735 1.00 0.00 C ATOM 953 C LEU A 67 14.970 52.008 -5.496 1.00 0.00 C ATOM 954 O LEU A 67 14.999 53.093 -6.077 1.00 0.00 O ATOM 955 CB LEU A 67 12.978 52.784 -4.196 1.00 0.00 C ATOM 956 CG LEU A 67 13.600 53.468 -2.979 1.00 0.00 C ATOM 957 CD1 LEU A 67 13.790 54.955 -3.240 1.00 0.00 C ATOM 958 CD2 LEU A 67 12.737 53.246 -1.745 1.00 0.00 C ATOM 0 H LEU A 67 15.075 50.471 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 67 13.075 51.022 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.896 53.518 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.964 52.480 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 67 14.579 53.025 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.234 55.425 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 67 14.449 55.093 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.824 55.414 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.194 53.740 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.744 53.662 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.654 52.177 -1.547 1.00 0.00 H new ATOM 970 N SER A 68 15.995 51.164 -5.489 1.00 0.00 N ATOM 971 CA SER A 68 17.244 51.471 -6.177 1.00 0.00 C ATOM 972 C SER A 68 18.209 50.292 -6.104 1.00 0.00 C ATOM 973 O SER A 68 19.417 50.474 -5.949 1.00 0.00 O ATOM 974 CB SER A 68 17.893 52.716 -5.569 1.00 0.00 C ATOM 975 OG SER A 68 18.036 52.581 -4.165 1.00 0.00 O ATOM 0 H SER A 68 15.986 50.261 -5.014 1.00 0.00 H new ATOM 0 HA SER A 68 17.015 51.665 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.870 52.880 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.286 53.593 -5.794 1.00 0.00 H new ATOM 0 HG SER A 68 18.455 53.388 -3.800 1.00 0.00 H new ATOM 981 N ARG A 69 17.668 49.084 -6.216 1.00 0.00 N ATOM 982 CA ARG A 69 18.481 47.874 -6.160 1.00 0.00 C ATOM 983 C ARG A 69 17.618 46.632 -6.358 1.00 0.00 C ATOM 984 O ARG A 69 18.060 45.644 -6.946 1.00 0.00 O ATOM 985 CB ARG A 69 19.216 47.790 -4.821 1.00 0.00 C ATOM 986 CG ARG A 69 18.296 47.875 -3.615 1.00 0.00 C ATOM 987 CD ARG A 69 17.819 46.497 -3.179 1.00 0.00 C ATOM 988 NE ARG A 69 18.122 46.233 -1.774 1.00 0.00 N ATOM 989 CZ ARG A 69 19.311 45.830 -1.341 1.00 0.00 C ATOM 990 NH1 ARG A 69 20.305 45.647 -2.198 1.00 0.00 N1+ ATOM 991 NH2 ARG A 69 19.508 45.610 -0.048 1.00 0.00 N ATOM 0 H ARG A 69 16.670 48.916 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 69 19.213 47.919 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 69 19.771 46.853 -4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 69 19.948 48.596 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.820 48.358 -2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.436 48.500 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.744 46.418 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.291 45.736 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 69 17.379 46.366 -1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.158 45.816 -3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.217 45.337 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.746 45.750 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.422 45.300 0.283 1.00 0.00 H new ATOM 1005 N LYS A 70 16.387 46.685 -5.864 1.00 0.00 N ATOM 1006 CA LYS A 70 15.462 45.566 -5.987 1.00 0.00 C ATOM 1007 C LYS A 70 15.388 45.077 -7.430 1.00 0.00 C ATOM 1008 O LYS A 70 15.941 44.031 -7.771 1.00 0.00 O ATOM 1009 CB LYS A 70 14.069 45.974 -5.504 1.00 0.00 C ATOM 1010 CG LYS A 70 13.836 45.709 -4.025 1.00 0.00 C ATOM 1011 CD LYS A 70 12.674 46.528 -3.488 1.00 0.00 C ATOM 1012 CE LYS A 70 11.373 46.181 -4.196 1.00 0.00 C ATOM 1013 NZ LYS A 70 10.190 46.385 -3.316 1.00 0.00 N1+ ATOM 0 H LYS A 70 16.006 47.494 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 70 15.832 44.751 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.921 47.036 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.320 45.434 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.636 44.648 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.740 45.948 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.566 46.350 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.886 47.590 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.271 46.796 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.405 45.143 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.324 46.137 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.274 45.779 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.144 47.381 -3.021 1.00 0.00 H new ATOM 1027 N HIS A 71 14.702 45.840 -8.274 1.00 0.00 N ATOM 1028 CA HIS A 71 14.558 45.485 -9.681 1.00 0.00 C ATOM 1029 C HIS A 71 15.677 46.102 -10.514 1.00 0.00 C ATOM 1030 O HIS A 71 15.432 46.673 -11.576 1.00 0.00 O ATOM 1031 CB HIS A 71 13.200 45.949 -10.209 1.00 0.00 C ATOM 1032 CG HIS A 71 12.071 45.035 -9.844 1.00 0.00 C ATOM 1033 ND1 HIS A 71 12.189 43.661 -9.832 1.00 0.00 N ATOM 1034 CD2 HIS A 71 10.798 45.305 -9.474 1.00 0.00 C ATOM 1035 CE1 HIS A 71 11.036 43.126 -9.472 1.00 0.00 C ATOM 1036 NE2 HIS A 71 10.175 44.102 -9.250 1.00 0.00 N ATOM 0 H HIS A 71 14.237 46.708 -8.008 1.00 0.00 H new ATOM 0 HA HIS A 71 14.622 44.400 -9.765 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.990 46.946 -9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 71 13.251 46.034 -11.294 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.354 46.285 -9.374 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.832 42.070 -9.376 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.205 43.982 -8.959 1.00 0.00 H new ATOM 1044 N GLY A 72 16.909 45.981 -10.025 1.00 0.00 N ATOM 1045 CA GLY A 72 18.046 46.532 -10.737 1.00 0.00 C ATOM 1046 C GLY A 72 18.385 47.940 -10.288 1.00 0.00 C ATOM 1047 O GLY A 72 19.554 48.324 -10.254 1.00 0.00 O ATOM 0 H GLY A 72 17.138 45.511 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.912 45.888 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.834 46.536 -11.806 1.00 0.00 H new ATOM 1051 N GLY A 73 17.359 48.712 -9.943 1.00 0.00 N ATOM 1052 CA GLY A 73 17.574 50.076 -9.502 1.00 0.00 C ATOM 1053 C GLY A 73 16.688 51.070 -10.230 1.00 0.00 C ATOM 1054 O GLY A 73 15.756 51.636 -9.660 1.00 0.00 O ATOM 0 H GLY A 73 16.383 48.416 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.384 50.142 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.619 50.344 -9.658 1.00 0.00 H new ATOM 1058 N PRO A 74 16.977 51.291 -11.520 1.00 0.00 N ATOM 1059 CA PRO A 74 16.211 52.222 -12.354 1.00 0.00 C ATOM 1060 C PRO A 74 14.807 51.710 -12.656 1.00 0.00 C ATOM 1061 O PRO A 74 14.358 50.721 -12.075 1.00 0.00 O ATOM 1062 CB PRO A 74 17.038 52.306 -13.641 1.00 0.00 C ATOM 1063 CG PRO A 74 17.789 51.022 -13.693 1.00 0.00 C ATOM 1064 CD PRO A 74 18.074 50.649 -12.265 1.00 0.00 C ATOM 0 HA PRO A 74 16.063 53.183 -11.862 1.00 0.00 H new ATOM 0 HB2 PRO A 74 16.398 52.426 -14.515 1.00 0.00 H new ATOM 0 HB3 PRO A 74 17.715 53.160 -13.621 1.00 0.00 H new ATOM 0 HG2 PRO A 74 17.204 50.248 -14.189 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.714 51.134 -14.259 1.00 0.00 H new ATOM 0 HD2 PRO A 74 18.077 49.568 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 74 19.048 51.015 -11.941 1.00 0.00 H new ATOM 1072 N LYS A 75 14.120 52.389 -13.568 1.00 0.00 N ATOM 1073 CA LYS A 75 12.766 52.002 -13.949 1.00 0.00 C ATOM 1074 C LYS A 75 11.802 52.173 -12.780 1.00 0.00 C ATOM 1075 O LYS A 75 12.219 52.244 -11.623 1.00 0.00 O ATOM 1076 CB LYS A 75 12.746 50.550 -14.432 1.00 0.00 C ATOM 1077 CG LYS A 75 11.849 50.322 -15.636 1.00 0.00 C ATOM 1078 CD LYS A 75 12.627 50.422 -16.937 1.00 0.00 C ATOM 1079 CE LYS A 75 13.148 49.064 -17.382 1.00 0.00 C ATOM 1080 NZ LYS A 75 14.626 49.069 -17.571 1.00 0.00 N1+ ATOM 0 H LYS A 75 14.478 53.210 -14.057 1.00 0.00 H new ATOM 0 HA LYS A 75 12.443 52.654 -14.761 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.762 50.246 -14.684 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.414 49.909 -13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.384 49.339 -15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.044 51.056 -15.635 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.986 50.839 -17.714 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.463 51.110 -16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.880 48.312 -16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.664 48.778 -18.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.940 48.125 -17.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.881 49.769 -18.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.090 49.317 -16.674 1.00 0.00 H new ATOM 1094 N ASP A 76 10.511 52.239 -13.087 1.00 0.00 N ATOM 1095 CA ASP A 76 9.486 52.400 -12.063 1.00 0.00 C ATOM 1096 C ASP A 76 9.740 53.656 -11.236 1.00 0.00 C ATOM 1097 O ASP A 76 9.305 53.753 -10.087 1.00 0.00 O ATOM 1098 CB ASP A 76 9.451 51.173 -11.152 1.00 0.00 C ATOM 1099 CG ASP A 76 8.091 50.967 -10.513 1.00 0.00 C ATOM 1100 OD1 ASP A 76 7.079 51.017 -11.243 1.00 0.00 O ATOM 1101 OD2 ASP A 76 8.039 50.756 -9.282 1.00 0.00 O1- ATOM 0 H ASP A 76 10.149 52.183 -14.039 1.00 0.00 H new ATOM 0 HA ASP A 76 8.521 52.502 -12.560 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.716 50.287 -11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.204 51.282 -10.371 1.00 0.00 H new ATOM 1106 N GLU A 77 10.448 54.616 -11.824 1.00 0.00 N ATOM 1107 CA GLU A 77 10.760 55.865 -11.139 1.00 0.00 C ATOM 1108 C GLU A 77 11.270 56.913 -12.124 1.00 0.00 C ATOM 1109 O GLU A 77 10.913 58.086 -12.037 1.00 0.00 O ATOM 1110 CB GLU A 77 11.804 55.626 -10.047 1.00 0.00 C ATOM 1111 CG GLU A 77 13.163 55.213 -10.582 1.00 0.00 C ATOM 1112 CD GLU A 77 14.141 54.853 -9.480 1.00 0.00 C ATOM 1113 OE1 GLU A 77 14.829 55.766 -8.975 1.00 0.00 O ATOM 1114 OE2 GLU A 77 14.220 53.659 -9.124 1.00 0.00 O1- ATOM 0 H GLU A 77 10.816 54.552 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 77 9.844 56.237 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.916 56.537 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.439 54.853 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.042 54.359 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.577 56.026 -11.178 1.00 0.00 H new ATOM 1121 N GLU A 78 12.110 56.479 -13.059 1.00 0.00 N ATOM 1122 CA GLU A 78 12.671 57.379 -14.059 1.00 0.00 C ATOM 1123 C GLU A 78 11.976 57.197 -15.406 1.00 0.00 C ATOM 1124 O GLU A 78 11.420 58.142 -15.964 1.00 0.00 O ATOM 1125 CB GLU A 78 14.174 57.137 -14.210 1.00 0.00 C ATOM 1126 CG GLU A 78 14.835 58.040 -15.238 1.00 0.00 C ATOM 1127 CD GLU A 78 16.183 57.515 -15.695 1.00 0.00 C ATOM 1128 OE1 GLU A 78 16.215 56.433 -16.320 1.00 0.00 O ATOM 1129 OE2 GLU A 78 17.202 58.182 -15.427 1.00 0.00 O1- ATOM 0 H GLU A 78 12.417 55.510 -13.144 1.00 0.00 H new ATOM 0 HA GLU A 78 12.508 58.403 -13.722 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.656 57.286 -13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.340 56.097 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.178 58.143 -16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.962 59.036 -14.813 1.00 0.00 H new ATOM 1136 N ARG A 79 12.014 55.972 -15.924 1.00 0.00 N ATOM 1137 CA ARG A 79 11.392 55.665 -17.205 1.00 0.00 C ATOM 1138 C ARG A 79 9.899 55.399 -17.034 1.00 0.00 C ATOM 1139 O ARG A 79 9.196 55.103 -18.001 1.00 0.00 O ATOM 1140 CB ARG A 79 12.067 54.450 -17.846 1.00 0.00 C ATOM 1141 CG ARG A 79 12.223 54.565 -19.353 1.00 0.00 C ATOM 1142 CD ARG A 79 12.595 53.229 -19.979 1.00 0.00 C ATOM 1143 NE ARG A 79 13.854 53.300 -20.714 1.00 0.00 N ATOM 1144 CZ ARG A 79 14.243 52.386 -21.595 1.00 0.00 C ATOM 1145 NH1 ARG A 79 13.475 51.336 -21.849 1.00 0.00 N1+ ATOM 1146 NH2 ARG A 79 15.403 52.521 -22.224 1.00 0.00 N ATOM 0 H ARG A 79 12.469 55.177 -15.475 1.00 0.00 H new ATOM 0 HA ARG A 79 11.518 56.529 -17.858 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.051 54.312 -17.397 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.484 53.558 -17.617 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.292 54.926 -19.790 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.991 55.303 -19.585 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.673 52.472 -19.198 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.800 52.911 -20.653 1.00 0.00 H new ATOM 0 HE ARG A 79 14.469 54.095 -20.541 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.582 51.228 -21.367 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.777 50.636 -22.526 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.997 53.327 -22.031 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.701 51.818 -22.901 1.00 0.00 H new ATOM 1160 N HIS A 80 9.422 55.507 -15.799 1.00 0.00 N ATOM 1161 CA HIS A 80 8.011 55.278 -15.502 1.00 0.00 C ATOM 1162 C HIS A 80 7.233 56.591 -15.519 1.00 0.00 C ATOM 1163 O HIS A 80 6.018 56.600 -15.716 1.00 0.00 O ATOM 1164 CB HIS A 80 7.860 54.601 -14.138 1.00 0.00 C ATOM 1165 CG HIS A 80 6.682 53.679 -14.057 1.00 0.00 C ATOM 1166 ND1 HIS A 80 5.958 53.483 -12.901 1.00 0.00 N ATOM 1167 CD2 HIS A 80 6.105 52.895 -14.997 1.00 0.00 C ATOM 1168 CE1 HIS A 80 4.986 52.619 -13.132 1.00 0.00 C ATOM 1169 NE2 HIS A 80 5.054 52.248 -14.398 1.00 0.00 N ATOM 0 H HIS A 80 9.990 55.751 -14.988 1.00 0.00 H new ATOM 0 HA HIS A 80 7.603 54.624 -16.273 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.767 54.039 -13.918 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.765 55.368 -13.369 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.414 52.797 -16.027 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.260 52.275 -12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.426 51.587 -14.856 1.00 0.00 H new ATOM 1177 N VAL A 81 7.940 57.697 -15.315 1.00 0.00 N ATOM 1178 CA VAL A 81 7.317 59.014 -15.310 1.00 0.00 C ATOM 1179 C VAL A 81 8.315 60.097 -15.703 1.00 0.00 C ATOM 1180 O VAL A 81 8.196 61.248 -15.286 1.00 0.00 O ATOM 1181 CB VAL A 81 6.729 59.351 -13.927 1.00 0.00 C ATOM 1182 CG1 VAL A 81 5.443 58.576 -13.690 1.00 0.00 C ATOM 1183 CG2 VAL A 81 7.746 59.060 -12.831 1.00 0.00 C ATOM 0 H VAL A 81 8.947 57.707 -15.151 1.00 0.00 H new ATOM 0 HA VAL A 81 6.511 58.985 -16.043 1.00 0.00 H new ATOM 0 HB VAL A 81 6.494 60.415 -13.901 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.043 58.827 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.714 58.838 -14.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.649 57.507 -13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.314 59.304 -11.860 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.014 58.004 -12.854 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.639 59.664 -12.993 1.00 0.00 H new ATOM 1193 N GLY A 82 9.301 59.720 -16.512 1.00 0.00 N ATOM 1194 CA GLY A 82 10.306 60.671 -16.949 1.00 0.00 C ATOM 1195 C GLY A 82 9.735 61.740 -17.862 1.00 0.00 C ATOM 1196 O GLY A 82 10.421 62.703 -18.203 1.00 0.00 O ATOM 0 H GLY A 82 9.421 58.773 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.757 61.145 -16.077 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.102 60.140 -17.470 1.00 0.00 H new ATOM 1200 N ASP A 83 8.479 61.568 -18.257 1.00 0.00 N ATOM 1201 CA ASP A 83 7.818 62.526 -19.135 1.00 0.00 C ATOM 1202 C ASP A 83 8.358 62.422 -20.558 1.00 0.00 C ATOM 1203 O ASP A 83 8.354 63.399 -21.308 1.00 0.00 O ATOM 1204 CB ASP A 83 8.004 63.948 -18.608 1.00 0.00 C ATOM 1205 CG ASP A 83 7.946 64.016 -17.094 1.00 0.00 C ATOM 1206 OD1 ASP A 83 6.852 63.797 -16.531 1.00 0.00 O ATOM 1207 OD2 ASP A 83 8.993 64.291 -16.471 1.00 0.00 O1- ATOM 0 H ASP A 83 7.898 60.775 -17.984 1.00 0.00 H new ATOM 0 HA ASP A 83 6.754 62.291 -19.151 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.963 64.337 -18.950 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.231 64.592 -19.028 1.00 0.00 H new ATOM 1212 N LEU A 84 8.826 61.233 -20.924 1.00 0.00 N ATOM 1213 CA LEU A 84 9.372 61.002 -22.255 1.00 0.00 C ATOM 1214 C LEU A 84 9.320 59.520 -22.616 1.00 0.00 C ATOM 1215 O LEU A 84 8.358 59.052 -23.222 1.00 0.00 O ATOM 1216 CB LEU A 84 10.813 61.507 -22.332 1.00 0.00 C ATOM 1217 CG LEU A 84 11.571 61.574 -21.006 1.00 0.00 C ATOM 1218 CD1 LEU A 84 12.855 60.759 -21.083 1.00 0.00 C ATOM 1219 CD2 LEU A 84 11.877 63.019 -20.638 1.00 0.00 C ATOM 0 H LEU A 84 8.838 60.414 -20.316 1.00 0.00 H new ATOM 0 HA LEU A 84 8.762 61.553 -22.971 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.368 60.861 -23.013 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.805 62.503 -22.774 1.00 0.00 H new ATOM 0 HG LEU A 84 10.939 61.147 -20.227 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.381 60.818 -20.130 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.613 59.719 -21.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.491 61.156 -21.874 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.417 63.047 -19.691 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.489 63.471 -21.418 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.945 63.575 -20.540 1.00 0.00 H new ATOM 1231 N GLY A 85 10.363 58.789 -22.235 1.00 0.00 N ATOM 1232 CA GLY A 85 10.417 57.368 -22.525 1.00 0.00 C ATOM 1233 C GLY A 85 9.135 56.650 -22.146 1.00 0.00 C ATOM 1234 O GLY A 85 8.818 55.598 -22.699 1.00 0.00 O ATOM 0 H GLY A 85 11.171 59.155 -21.731 1.00 0.00 H new ATOM 0 HA2 GLY A 85 10.610 57.224 -23.588 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.253 56.922 -21.986 1.00 0.00 H new ATOM 1238 N ASN A 86 8.396 57.221 -21.200 1.00 0.00 N ATOM 1239 CA ASN A 86 7.143 56.627 -20.747 1.00 0.00 C ATOM 1240 C ASN A 86 5.956 57.239 -21.484 1.00 0.00 C ATOM 1241 O ASN A 86 4.912 56.602 -21.639 1.00 0.00 O ATOM 1242 CB ASN A 86 6.978 56.822 -19.238 1.00 0.00 C ATOM 1243 CG ASN A 86 6.199 55.695 -18.591 1.00 0.00 C ATOM 1244 OD1 ASN A 86 6.695 54.575 -18.464 1.00 0.00 O ATOM 1245 ND2 ASN A 86 4.970 55.986 -18.180 1.00 0.00 N ATOM 0 H ASN A 86 8.643 58.093 -20.733 1.00 0.00 H new ATOM 0 HA ASN A 86 7.174 55.560 -20.966 1.00 0.00 H new ATOM 0 HB2 ASN A 86 7.962 56.893 -18.774 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.468 57.767 -19.050 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.396 55.267 -17.739 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.600 56.928 -18.306 1.00 0.00 H new ATOM 1252 N VAL A 87 6.119 58.479 -21.935 1.00 0.00 N ATOM 1253 CA VAL A 87 5.061 59.175 -22.656 1.00 0.00 C ATOM 1254 C VAL A 87 5.399 59.304 -24.138 1.00 0.00 C ATOM 1255 O VAL A 87 4.695 59.980 -24.889 1.00 0.00 O ATOM 1256 CB VAL A 87 4.816 60.581 -22.073 1.00 0.00 C ATOM 1257 CG1 VAL A 87 5.939 61.526 -22.469 1.00 0.00 C ATOM 1258 CG2 VAL A 87 3.468 61.118 -22.530 1.00 0.00 C ATOM 0 H VAL A 87 6.974 59.022 -21.813 1.00 0.00 H new ATOM 0 HA VAL A 87 4.155 58.579 -22.543 1.00 0.00 H new ATOM 0 HB VAL A 87 4.803 60.508 -20.985 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.749 62.513 -22.049 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.886 61.145 -22.087 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.988 61.598 -23.556 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.311 62.111 -22.110 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.450 61.177 -23.618 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.676 60.450 -22.190 1.00 0.00 H new ATOM 1268 N THR A 88 6.480 58.650 -24.551 1.00 0.00 N ATOM 1269 CA THR A 88 6.911 58.692 -25.942 1.00 0.00 C ATOM 1270 C THR A 88 6.923 57.297 -26.556 1.00 0.00 C ATOM 1271 O THR A 88 7.420 57.099 -27.665 1.00 0.00 O ATOM 1272 CB THR A 88 8.315 59.310 -26.077 1.00 0.00 C ATOM 1273 OG1 THR A 88 8.464 60.392 -25.151 1.00 0.00 O ATOM 1274 CG2 THR A 88 8.552 59.812 -27.493 1.00 0.00 C ATOM 0 H THR A 88 7.072 58.085 -23.942 1.00 0.00 H new ATOM 0 HA THR A 88 6.194 59.316 -26.476 1.00 0.00 H new ATOM 0 HB THR A 88 9.051 58.537 -25.855 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.916 60.221 -24.357 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.550 60.244 -27.564 1.00 0.00 H new ATOM 0 HG22 THR A 88 8.466 58.981 -28.193 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.810 60.571 -27.739 1.00 0.00 H new ATOM 1282 N ALA A 89 6.370 56.330 -25.830 1.00 0.00 N ATOM 1283 CA ALA A 89 6.315 54.953 -26.304 1.00 0.00 C ATOM 1284 C ALA A 89 7.708 54.340 -26.374 1.00 0.00 C ATOM 1285 O ALA A 89 7.891 53.250 -26.917 1.00 0.00 O ATOM 1286 CB ALA A 89 5.641 54.893 -27.667 1.00 0.00 C ATOM 0 H ALA A 89 5.953 56.476 -24.910 1.00 0.00 H new ATOM 0 HA ALA A 89 5.727 54.372 -25.593 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.606 53.859 -28.010 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.627 55.284 -27.589 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.207 55.493 -28.380 1.00 0.00 H new ATOM 1292 N ASP A 90 8.689 55.047 -25.822 1.00 0.00 N ATOM 1293 CA ASP A 90 10.068 54.571 -25.821 1.00 0.00 C ATOM 1294 C ASP A 90 11.022 55.669 -25.361 1.00 0.00 C ATOM 1295 O ASP A 90 11.743 55.507 -24.377 1.00 0.00 O ATOM 1296 CB ASP A 90 10.464 54.088 -27.217 1.00 0.00 C ATOM 1297 CG ASP A 90 10.778 52.605 -27.249 1.00 0.00 C ATOM 1298 OD1 ASP A 90 10.042 51.829 -26.606 1.00 0.00 O ATOM 1299 OD2 ASP A 90 11.762 52.221 -27.916 1.00 0.00 O1- ATOM 0 H ASP A 90 8.555 55.951 -25.370 1.00 0.00 H new ATOM 0 HA ASP A 90 10.138 53.737 -25.122 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.654 54.300 -27.915 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.334 54.648 -27.559 1.00 0.00 H new ATOM 1304 N LYS A 91 11.019 56.788 -26.079 1.00 0.00 N ATOM 1305 CA LYS A 91 11.883 57.913 -25.745 1.00 0.00 C ATOM 1306 C LYS A 91 11.862 58.962 -26.851 1.00 0.00 C ATOM 1307 O LYS A 91 12.095 60.146 -26.603 1.00 0.00 O ATOM 1308 CB LYS A 91 13.316 57.432 -25.511 1.00 0.00 C ATOM 1309 CG LYS A 91 14.346 58.153 -26.361 1.00 0.00 C ATOM 1310 CD LYS A 91 15.734 57.560 -26.180 1.00 0.00 C ATOM 1311 CE LYS A 91 16.338 57.953 -24.841 1.00 0.00 C ATOM 1312 NZ LYS A 91 16.243 56.848 -23.846 1.00 0.00 N1+ ATOM 0 H LYS A 91 10.427 56.939 -26.896 1.00 0.00 H new ATOM 0 HA LYS A 91 11.506 58.368 -24.829 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.568 57.566 -24.459 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.370 56.363 -25.718 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.058 58.094 -27.411 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.363 59.210 -26.094 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.679 56.474 -26.250 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.384 57.899 -26.987 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.384 58.228 -24.980 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.825 58.834 -24.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.357 57.234 -22.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.314 56.388 -23.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.992 56.150 -24.030 1.00 0.00 H new ATOM 1326 N ASP A 92 11.580 58.521 -28.073 1.00 0.00 N ATOM 1327 CA ASP A 92 11.526 59.424 -29.219 1.00 0.00 C ATOM 1328 C ASP A 92 10.178 59.321 -29.928 1.00 0.00 C ATOM 1329 O ASP A 92 9.659 60.311 -30.440 1.00 0.00 O ATOM 1330 CB ASP A 92 12.657 59.108 -30.196 1.00 0.00 C ATOM 1331 CG ASP A 92 13.998 59.630 -29.719 1.00 0.00 C ATOM 1332 OD1 ASP A 92 14.087 60.051 -28.546 1.00 0.00 O ATOM 1333 OD2 ASP A 92 14.959 59.617 -30.518 1.00 0.00 O1- ATOM 0 H ASP A 92 11.385 57.545 -28.296 1.00 0.00 H new ATOM 0 HA ASP A 92 11.647 60.444 -28.854 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.720 58.029 -30.337 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.426 59.544 -31.168 1.00 0.00 H new ATOM 1338 N GLY A 93 9.620 58.113 -29.954 1.00 0.00 N ATOM 1339 CA GLY A 93 8.340 57.902 -30.605 1.00 0.00 C ATOM 1340 C GLY A 93 7.815 56.495 -30.408 1.00 0.00 C ATOM 1341 O GLY A 93 6.604 56.272 -30.401 1.00 0.00 O ATOM 0 H GLY A 93 10.031 57.278 -29.536 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.615 58.615 -30.213 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.441 58.103 -31.672 1.00 0.00 H new ATOM 1345 N VAL A 94 8.726 55.543 -30.248 1.00 0.00 N ATOM 1346 CA VAL A 94 8.348 54.148 -30.051 1.00 0.00 C ATOM 1347 C VAL A 94 9.564 53.230 -30.137 1.00 0.00 C ATOM 1348 O VAL A 94 9.537 52.101 -29.652 1.00 0.00 O ATOM 1349 CB VAL A 94 7.304 53.698 -31.090 1.00 0.00 C ATOM 1350 CG1 VAL A 94 7.756 54.064 -32.494 1.00 0.00 C ATOM 1351 CG2 VAL A 94 7.051 52.201 -30.975 1.00 0.00 C ATOM 0 H VAL A 94 9.732 55.711 -30.251 1.00 0.00 H new ATOM 0 HA VAL A 94 7.913 54.076 -29.054 1.00 0.00 H new ATOM 0 HB VAL A 94 6.368 54.219 -30.889 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.006 53.738 -33.214 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.883 55.144 -32.565 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.704 53.572 -32.711 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.311 51.899 -31.716 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.981 51.660 -31.150 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.680 51.970 -29.977 1.00 0.00 H new ATOM 1361 N ALA A 95 10.628 53.726 -30.759 1.00 0.00 N ATOM 1362 CA ALA A 95 11.856 52.953 -30.907 1.00 0.00 C ATOM 1363 C ALA A 95 13.082 53.805 -30.600 1.00 0.00 C ATOM 1364 O ALA A 95 14.192 53.491 -31.029 1.00 0.00 O ATOM 1365 CB ALA A 95 11.950 52.379 -32.314 1.00 0.00 C ATOM 0 H ALA A 95 10.665 54.659 -31.169 1.00 0.00 H new ATOM 0 HA ALA A 95 11.828 52.132 -30.191 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.871 51.804 -32.412 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.095 51.729 -32.500 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.951 53.192 -33.039 1.00 0.00 H new ATOM 1371 N ASP A 96 12.874 54.883 -29.853 1.00 0.00 N ATOM 1372 CA ASP A 96 13.964 55.781 -29.487 1.00 0.00 C ATOM 1373 C ASP A 96 14.506 56.508 -30.715 1.00 0.00 C ATOM 1374 O ASP A 96 15.579 57.111 -30.668 1.00 0.00 O ATOM 1375 CB ASP A 96 15.088 55.001 -28.802 1.00 0.00 C ATOM 1376 CG ASP A 96 16.389 55.059 -29.578 1.00 0.00 C ATOM 1377 OD1 ASP A 96 16.521 54.311 -30.571 1.00 0.00 O ATOM 1378 OD2 ASP A 96 17.274 55.850 -29.195 1.00 0.00 O1- ATOM 0 H ASP A 96 11.961 55.157 -29.489 1.00 0.00 H new ATOM 0 HA ASP A 96 13.572 56.524 -28.792 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.247 55.402 -27.801 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.785 53.961 -28.684 1.00 0.00 H new ATOM 1383 N VAL A 97 13.758 56.444 -31.812 1.00 0.00 N ATOM 1384 CA VAL A 97 14.163 57.095 -33.052 1.00 0.00 C ATOM 1385 C VAL A 97 13.008 57.872 -33.668 1.00 0.00 C ATOM 1386 O VAL A 97 13.110 58.378 -34.786 1.00 0.00 O ATOM 1387 CB VAL A 97 14.684 56.071 -34.079 1.00 0.00 C ATOM 1388 CG1 VAL A 97 15.486 56.768 -35.167 1.00 0.00 C ATOM 1389 CG2 VAL A 97 15.520 55.003 -33.390 1.00 0.00 C ATOM 0 H VAL A 97 12.868 55.948 -31.867 1.00 0.00 H new ATOM 0 HA VAL A 97 14.967 57.786 -32.798 1.00 0.00 H new ATOM 0 HB VAL A 97 13.828 55.584 -34.547 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.846 56.029 -35.883 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.852 57.492 -35.679 1.00 0.00 H new ATOM 0 HG13 VAL A 97 16.336 57.283 -34.719 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.880 54.288 -34.130 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.371 55.471 -32.894 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.910 54.484 -32.651 1.00 0.00 H new ATOM 1399 N SER A 98 11.906 57.967 -32.930 1.00 0.00 N ATOM 1400 CA SER A 98 10.726 58.682 -33.405 1.00 0.00 C ATOM 1401 C SER A 98 10.104 57.969 -34.602 1.00 0.00 C ATOM 1402 O SER A 98 9.587 58.609 -35.520 1.00 0.00 O ATOM 1403 CB SER A 98 11.092 60.118 -33.784 1.00 0.00 C ATOM 1404 OG SER A 98 10.194 61.044 -33.200 1.00 0.00 O ATOM 0 H SER A 98 11.806 57.558 -32.001 1.00 0.00 H new ATOM 0 HA SER A 98 9.994 58.703 -32.597 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.108 60.336 -33.456 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.077 60.226 -34.868 1.00 0.00 H new ATOM 0 HG SER A 98 10.043 60.806 -32.261 1.00 0.00 H new ATOM 1410 N ILE A 99 10.160 56.642 -34.587 1.00 0.00 N ATOM 1411 CA ILE A 99 9.601 55.842 -35.671 1.00 0.00 C ATOM 1412 C ILE A 99 8.166 56.256 -35.976 1.00 0.00 C ATOM 1413 O ILE A 99 7.777 56.370 -37.138 1.00 0.00 O ATOM 1414 CB ILE A 99 9.630 54.339 -35.333 1.00 0.00 C ATOM 1415 CG1 ILE A 99 10.854 53.676 -35.968 1.00 0.00 C ATOM 1416 CG2 ILE A 99 8.350 53.666 -35.806 1.00 0.00 C ATOM 1417 CD1 ILE A 99 12.111 53.806 -35.136 1.00 0.00 C ATOM 0 H ILE A 99 10.586 56.098 -33.837 1.00 0.00 H new ATOM 0 HA ILE A 99 10.222 56.021 -36.549 1.00 0.00 H new ATOM 0 HB ILE A 99 9.699 54.225 -34.251 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.642 52.619 -36.129 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.029 54.119 -36.948 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.385 52.605 -35.560 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.494 54.125 -35.312 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.253 53.786 -36.885 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.938 53.313 -35.647 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.347 54.861 -34.996 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.954 53.338 -34.164 1.00 0.00 H new ATOM 1429 N GLU A 100 7.383 56.480 -34.924 1.00 0.00 N ATOM 1430 CA GLU A 100 5.990 56.883 -35.082 1.00 0.00 C ATOM 1431 C GLU A 100 5.893 58.253 -35.748 1.00 0.00 C ATOM 1432 O GLU A 100 4.931 58.540 -36.460 1.00 0.00 O ATOM 1433 CB GLU A 100 5.288 56.914 -33.722 1.00 0.00 C ATOM 1434 CG GLU A 100 4.998 55.532 -33.158 1.00 0.00 C ATOM 1435 CD GLU A 100 3.520 55.306 -32.902 1.00 0.00 C ATOM 1436 OE1 GLU A 100 2.820 54.858 -33.835 1.00 0.00 O ATOM 1437 OE2 GLU A 100 3.064 55.580 -31.773 1.00 0.00 O1- ATOM 0 H GLU A 100 7.689 56.389 -33.955 1.00 0.00 H new ATOM 0 HA GLU A 100 5.496 56.151 -35.721 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.908 57.464 -33.014 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.351 57.463 -33.818 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.363 54.776 -33.853 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.549 55.401 -32.227 1.00 0.00 H new ATOM 1444 N ASP A 101 6.893 59.095 -35.507 1.00 0.00 N ATOM 1445 CA ASP A 101 6.919 60.434 -36.083 1.00 0.00 C ATOM 1446 C ASP A 101 7.551 60.416 -37.471 1.00 0.00 C ATOM 1447 O ASP A 101 7.410 61.366 -38.241 1.00 0.00 O ATOM 1448 CB ASP A 101 7.688 61.389 -35.170 1.00 0.00 C ATOM 1449 CG ASP A 101 8.108 62.659 -35.884 1.00 0.00 C ATOM 1450 OD1 ASP A 101 9.126 62.626 -36.606 1.00 0.00 O ATOM 1451 OD2 ASP A 101 7.417 63.687 -35.720 1.00 0.00 O1- ATOM 0 H ASP A 101 7.695 58.874 -34.917 1.00 0.00 H new ATOM 0 HA ASP A 101 5.891 60.783 -36.177 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.067 61.646 -34.312 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.573 60.884 -34.783 1.00 0.00 H new ATOM 1456 N SER A 102 8.250 59.330 -37.785 1.00 0.00 N ATOM 1457 CA SER A 102 8.910 59.189 -39.077 1.00 0.00 C ATOM 1458 C SER A 102 8.022 58.433 -40.060 1.00 0.00 C ATOM 1459 O SER A 102 8.001 58.732 -41.254 1.00 0.00 O ATOM 1460 CB SER A 102 10.246 58.463 -38.916 1.00 0.00 C ATOM 1461 OG SER A 102 11.157 58.840 -39.933 1.00 0.00 O ATOM 0 H SER A 102 8.374 58.533 -37.160 1.00 0.00 H new ATOM 0 HA SER A 102 9.094 60.187 -39.474 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.672 58.691 -37.939 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.084 57.386 -38.949 1.00 0.00 H new ATOM 0 HG SER A 102 12.004 58.363 -39.807 1.00 0.00 H new ATOM 1467 N VAL A 103 7.289 57.447 -39.549 1.00 0.00 N ATOM 1468 CA VAL A 103 6.398 56.648 -40.381 1.00 0.00 C ATOM 1469 C VAL A 103 5.143 57.429 -40.749 1.00 0.00 C ATOM 1470 O VAL A 103 4.487 57.134 -41.750 1.00 0.00 O ATOM 1471 CB VAL A 103 5.988 55.343 -39.670 1.00 0.00 C ATOM 1472 CG1 VAL A 103 4.976 54.577 -40.506 1.00 0.00 C ATOM 1473 CG2 VAL A 103 7.211 54.488 -39.381 1.00 0.00 C ATOM 0 H VAL A 103 7.295 57.184 -38.564 1.00 0.00 H new ATOM 0 HA VAL A 103 6.948 56.402 -41.289 1.00 0.00 H new ATOM 0 HB VAL A 103 5.519 55.598 -38.719 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.698 53.659 -39.989 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.089 55.192 -40.657 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.415 54.330 -41.473 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.903 53.571 -38.879 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.710 54.239 -40.317 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.898 55.040 -38.739 1.00 0.00 H new ATOM 1483 N ILE A 104 4.812 58.427 -39.937 1.00 0.00 N ATOM 1484 CA ILE A 104 3.635 59.252 -40.180 1.00 0.00 C ATOM 1485 C ILE A 104 4.001 60.517 -40.949 1.00 0.00 C ATOM 1486 O ILE A 104 3.174 61.079 -41.666 1.00 0.00 O ATOM 1487 CB ILE A 104 2.944 59.647 -38.861 1.00 0.00 C ATOM 1488 CG1 ILE A 104 2.510 58.397 -38.093 1.00 0.00 C ATOM 1489 CG2 ILE A 104 1.748 60.546 -39.140 1.00 0.00 C ATOM 1490 CD1 ILE A 104 1.966 58.695 -36.713 1.00 0.00 C ATOM 0 H ILE A 104 5.343 58.684 -39.105 1.00 0.00 H new ATOM 0 HA ILE A 104 2.946 58.654 -40.777 1.00 0.00 H new ATOM 0 HB ILE A 104 3.654 60.199 -38.246 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.748 57.872 -38.670 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.361 57.723 -38.001 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.269 60.817 -38.199 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.083 61.449 -39.650 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.034 60.016 -39.771 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.678 57.763 -36.226 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.733 59.193 -36.119 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.095 59.344 -36.798 1.00 0.00 H new ATOM 1502 N SER A 105 5.245 60.958 -40.796 1.00 0.00 N ATOM 1503 CA SER A 105 5.719 62.158 -41.475 1.00 0.00 C ATOM 1504 C SER A 105 6.255 61.822 -42.863 1.00 0.00 C ATOM 1505 O SER A 105 6.339 62.687 -43.735 1.00 0.00 O ATOM 1506 CB SER A 105 6.808 62.841 -40.646 1.00 0.00 C ATOM 1507 OG SER A 105 7.381 63.927 -41.353 1.00 0.00 O ATOM 0 H SER A 105 5.943 60.502 -40.208 1.00 0.00 H new ATOM 0 HA SER A 105 4.876 62.840 -41.587 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.385 63.197 -39.707 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.584 62.118 -40.392 1.00 0.00 H new ATOM 0 HG SER A 105 8.073 64.348 -40.801 1.00 0.00 H new ATOM 1513 N LEU A 106 6.617 60.559 -43.060 1.00 0.00 N ATOM 1514 CA LEU A 106 7.146 60.105 -44.342 1.00 0.00 C ATOM 1515 C LEU A 106 6.015 59.714 -45.288 1.00 0.00 C ATOM 1516 O LEU A 106 6.075 59.984 -46.487 1.00 0.00 O ATOM 1517 CB LEU A 106 8.088 58.920 -44.136 1.00 0.00 C ATOM 1518 CG LEU A 106 8.798 58.402 -45.387 1.00 0.00 C ATOM 1519 CD1 LEU A 106 10.306 58.516 -45.231 1.00 0.00 C ATOM 1520 CD2 LEU A 106 8.398 56.960 -45.670 1.00 0.00 C ATOM 0 H LEU A 106 6.554 59.831 -42.348 1.00 0.00 H new ATOM 0 HA LEU A 106 7.702 60.928 -44.791 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.845 59.206 -43.405 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.518 58.100 -43.700 1.00 0.00 H new ATOM 0 HG LEU A 106 8.493 59.016 -46.234 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.794 58.143 -46.131 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.578 59.560 -45.077 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.629 57.927 -44.372 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.913 56.608 -46.564 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.673 56.333 -44.822 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.321 56.905 -45.827 1.00 0.00 H new ATOM 1532 N SER A 107 4.985 59.076 -44.741 1.00 0.00 N ATOM 1533 CA SER A 107 3.842 58.644 -45.537 1.00 0.00 C ATOM 1534 C SER A 107 2.692 59.639 -45.418 1.00 0.00 C ATOM 1535 O SER A 107 1.945 59.857 -46.372 1.00 0.00 O ATOM 1536 CB SER A 107 3.378 57.256 -45.091 1.00 0.00 C ATOM 1537 OG SER A 107 2.234 57.342 -44.259 1.00 0.00 O ATOM 0 H SER A 107 4.919 58.847 -43.749 1.00 0.00 H new ATOM 0 HA SER A 107 4.154 58.597 -46.580 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.150 56.647 -45.966 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.184 56.755 -44.555 1.00 0.00 H new ATOM 0 HG SER A 107 1.957 56.441 -43.989 1.00 0.00 H new ATOM 1543 N GLY A 108 2.556 60.240 -44.240 1.00 0.00 N ATOM 1544 CA GLY A 108 1.496 61.206 -44.017 1.00 0.00 C ATOM 1545 C GLY A 108 1.840 62.581 -44.554 1.00 0.00 C ATOM 1546 O GLY A 108 1.070 63.528 -44.395 1.00 0.00 O ATOM 0 H GLY A 108 3.161 60.075 -43.436 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.581 60.853 -44.492 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.293 61.277 -42.948 1.00 0.00 H new ATOM 1550 N ASP A 109 3.002 62.692 -45.191 1.00 0.00 N ATOM 1551 CA ASP A 109 3.446 63.961 -45.753 1.00 0.00 C ATOM 1552 C ASP A 109 3.969 63.772 -47.173 1.00 0.00 C ATOM 1553 O ASP A 109 4.503 64.704 -47.779 1.00 0.00 O ATOM 1554 CB ASP A 109 4.533 64.580 -44.872 1.00 0.00 C ATOM 1555 CG ASP A 109 4.326 66.065 -44.654 1.00 0.00 C ATOM 1556 OD1 ASP A 109 4.308 66.816 -45.654 1.00 0.00 O ATOM 1557 OD2 ASP A 109 4.181 66.477 -43.485 1.00 0.00 O1- ATOM 0 H ASP A 109 3.652 61.918 -45.330 1.00 0.00 H new ATOM 0 HA ASP A 109 2.590 64.635 -45.788 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.547 64.073 -43.907 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.507 64.416 -45.333 1.00 0.00 H new ATOM 1562 N HIS A 110 3.816 62.561 -47.699 1.00 0.00 N ATOM 1563 CA HIS A 110 4.275 62.250 -49.049 1.00 0.00 C ATOM 1564 C HIS A 110 3.135 61.688 -49.894 1.00 0.00 C ATOM 1565 O HIS A 110 3.210 61.672 -51.122 1.00 0.00 O ATOM 1566 CB HIS A 110 5.430 61.250 -48.999 1.00 0.00 C ATOM 1567 CG HIS A 110 6.230 61.196 -50.264 1.00 0.00 C ATOM 1568 ND1 HIS A 110 6.956 62.269 -50.741 1.00 0.00 N ATOM 1569 CD2 HIS A 110 6.419 60.192 -51.152 1.00 0.00 C ATOM 1570 CE1 HIS A 110 7.554 61.927 -51.869 1.00 0.00 C ATOM 1571 NE2 HIS A 110 7.245 60.671 -52.139 1.00 0.00 N ATOM 0 H HIS A 110 3.378 61.779 -47.212 1.00 0.00 H new ATOM 0 HA HIS A 110 4.624 63.174 -49.510 1.00 0.00 H new ATOM 0 HB2 HIS A 110 6.090 61.511 -48.172 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.032 60.258 -48.788 1.00 0.00 H new ATOM 0 HD2 HIS A 110 5.998 59.199 -51.095 1.00 0.00 H new ATOM 0 HE1 HIS A 110 8.187 62.565 -52.468 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.568 60.143 -52.950 1.00 0.00 H new ATOM 1579 N CYS A 111 2.083 61.226 -49.227 1.00 0.00 N ATOM 1580 CA CYS A 111 0.928 60.660 -49.916 1.00 0.00 C ATOM 1581 C CYS A 111 -0.319 61.502 -49.669 1.00 0.00 C ATOM 1582 O CYS A 111 -1.217 61.561 -50.508 1.00 0.00 O ATOM 1583 CB CYS A 111 0.686 59.221 -49.455 1.00 0.00 C ATOM 1584 SG CYS A 111 -0.150 58.186 -50.678 1.00 0.00 S ATOM 0 H CYS A 111 2.006 61.232 -48.210 1.00 0.00 H new ATOM 0 HA CYS A 111 1.139 60.660 -50.985 1.00 0.00 H new ATOM 0 HB2 CYS A 111 1.644 58.766 -49.203 1.00 0.00 H new ATOM 0 HB3 CYS A 111 0.091 59.238 -48.542 1.00 0.00 H new ATOM 0 HG CYS A 111 -0.308 56.988 -50.198 1.00 0.00 H new ATOM 1590 N ILE A 112 -0.368 62.152 -48.512 1.00 0.00 N ATOM 1591 CA ILE A 112 -1.504 62.991 -48.153 1.00 0.00 C ATOM 1592 C ILE A 112 -1.193 64.467 -48.380 1.00 0.00 C ATOM 1593 O ILE A 112 -2.016 65.210 -48.915 1.00 0.00 O ATOM 1594 CB ILE A 112 -1.915 62.786 -46.683 1.00 0.00 C ATOM 1595 CG1 ILE A 112 -2.203 61.308 -46.413 1.00 0.00 C ATOM 1596 CG2 ILE A 112 -3.130 63.639 -46.350 1.00 0.00 C ATOM 1597 CD1 ILE A 112 -2.350 60.980 -44.944 1.00 0.00 C ATOM 0 H ILE A 112 0.367 62.114 -47.806 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.330 62.693 -48.798 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.090 63.098 -46.042 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.117 61.023 -46.934 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.397 60.706 -46.832 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.409 63.484 -45.308 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.891 64.691 -46.509 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -3.962 63.355 -46.994 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.553 59.915 -44.827 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.428 61.233 -44.421 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.175 61.555 -44.524 1.00 0.00 H new ATOM 1609 N ILE A 113 0.002 64.882 -47.975 1.00 0.00 N ATOM 1610 CA ILE A 113 0.423 66.269 -48.137 1.00 0.00 C ATOM 1611 C ILE A 113 1.297 66.437 -49.376 1.00 0.00 C ATOM 1612 O ILE A 113 0.976 67.213 -50.275 1.00 0.00 O ATOM 1613 CB ILE A 113 1.199 66.769 -46.904 1.00 0.00 C ATOM 1614 CG1 ILE A 113 0.407 66.484 -45.627 1.00 0.00 C ATOM 1615 CG2 ILE A 113 1.493 68.256 -47.032 1.00 0.00 C ATOM 1616 CD1 ILE A 113 1.162 66.824 -44.360 1.00 0.00 C ATOM 0 H ILE A 113 0.696 64.279 -47.533 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.484 66.863 -48.251 1.00 0.00 H new ATOM 0 HB ILE A 113 2.147 66.235 -46.847 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.522 67.053 -45.651 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.134 65.429 -45.606 1.00 0.00 H new ATOM 0 HG21 ILE A 113 2.042 68.595 -46.153 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.093 68.433 -47.925 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.556 68.807 -47.109 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.540 66.597 -43.494 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.078 66.236 -44.314 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.412 67.885 -44.359 1.00 0.00 H new ATOM 1628 N GLY A 114 2.404 65.701 -49.417 1.00 0.00 N ATOM 1629 CA GLY A 114 3.306 65.780 -50.551 1.00 0.00 C ATOM 1630 C GLY A 114 2.624 65.430 -51.860 1.00 0.00 C ATOM 1631 O GLY A 114 3.047 65.877 -52.924 1.00 0.00 O ATOM 0 H GLY A 114 2.692 65.052 -48.685 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.715 66.788 -50.616 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.146 65.105 -50.391 1.00 0.00 H new ATOM 1635 N ARG A 115 1.568 64.627 -51.779 1.00 0.00 N ATOM 1636 CA ARG A 115 0.830 64.216 -52.967 1.00 0.00 C ATOM 1637 C ARG A 115 0.256 65.426 -53.697 1.00 0.00 C ATOM 1638 O ARG A 115 0.560 65.661 -54.867 1.00 0.00 O ATOM 1639 CB ARG A 115 -0.298 63.256 -52.584 1.00 0.00 C ATOM 1640 CG ARG A 115 -1.225 62.915 -53.739 1.00 0.00 C ATOM 1641 CD ARG A 115 -2.492 63.756 -53.706 1.00 0.00 C ATOM 1642 NE ARG A 115 -3.696 62.932 -53.686 1.00 0.00 N ATOM 1643 CZ ARG A 115 -4.915 63.417 -53.482 1.00 0.00 C ATOM 1644 NH1 ARG A 115 -5.091 64.716 -53.282 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 -5.964 62.603 -53.480 1.00 0.00 N ATOM 0 H ARG A 115 1.205 64.249 -50.904 1.00 0.00 H new ATOM 0 HA ARG A 115 1.523 63.705 -53.636 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.136 62.336 -52.194 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.883 63.699 -51.778 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.705 63.076 -54.683 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.488 61.858 -53.696 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.478 64.398 -52.825 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.515 64.410 -54.577 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.596 61.928 -53.837 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.289 65.346 -53.285 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.029 65.085 -53.126 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.834 61.603 -53.635 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.900 62.977 -53.323 1.00 0.00 H new ATOM 1659 N THR A 116 -0.576 66.192 -52.999 1.00 0.00 N ATOM 1660 CA THR A 116 -1.194 67.377 -53.581 1.00 0.00 C ATOM 1661 C THR A 116 -0.171 68.493 -53.773 1.00 0.00 C ATOM 1662 O THR A 116 -0.413 69.450 -54.508 1.00 0.00 O ATOM 1663 CB THR A 116 -2.346 67.899 -52.703 1.00 0.00 C ATOM 1664 OG1 THR A 116 -2.633 66.958 -51.661 1.00 0.00 O ATOM 1665 CG2 THR A 116 -3.596 68.138 -53.535 1.00 0.00 C ATOM 0 H THR A 116 -0.838 66.013 -52.030 1.00 0.00 H new ATOM 0 HA THR A 116 -1.592 67.081 -54.552 1.00 0.00 H new ATOM 0 HB THR A 116 -2.036 68.846 -52.262 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.366 67.298 -51.106 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.396 68.506 -52.893 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.383 68.876 -54.308 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.907 67.203 -54.001 1.00 0.00 H new ATOM 1673 N LEU A 117 0.970 68.361 -53.109 1.00 0.00 N ATOM 1674 CA LEU A 117 2.031 69.358 -53.208 1.00 0.00 C ATOM 1675 C LEU A 117 2.911 69.099 -54.427 1.00 0.00 C ATOM 1676 O LEU A 117 3.480 70.027 -55.004 1.00 0.00 O ATOM 1677 CB LEU A 117 2.886 69.349 -51.939 1.00 0.00 C ATOM 1678 CG LEU A 117 3.934 70.457 -51.828 1.00 0.00 C ATOM 1679 CD1 LEU A 117 3.917 71.072 -50.437 1.00 0.00 C ATOM 1680 CD2 LEU A 117 5.317 69.918 -52.157 1.00 0.00 C ATOM 0 H LEU A 117 1.186 67.575 -52.496 1.00 0.00 H new ATOM 0 HA LEU A 117 1.565 70.337 -53.320 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.222 69.417 -51.077 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.395 68.387 -51.875 1.00 0.00 H new ATOM 0 HG LEU A 117 3.688 71.236 -52.550 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.670 71.858 -50.378 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.933 71.496 -50.239 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.137 70.303 -49.696 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.050 70.721 -52.073 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.572 69.120 -51.460 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.323 69.527 -53.174 1.00 0.00 H new ATOM 1692 N VAL A 118 3.016 67.833 -54.817 1.00 0.00 N ATOM 1693 CA VAL A 118 3.822 67.451 -55.969 1.00 0.00 C ATOM 1694 C VAL A 118 2.953 67.241 -57.204 1.00 0.00 C ATOM 1695 O VAL A 118 3.399 67.448 -58.332 1.00 0.00 O ATOM 1696 CB VAL A 118 4.623 66.164 -55.694 1.00 0.00 C ATOM 1697 CG1 VAL A 118 5.452 66.311 -54.430 1.00 0.00 C ATOM 1698 CG2 VAL A 118 3.689 64.969 -55.591 1.00 0.00 C ATOM 0 H VAL A 118 2.552 67.054 -54.351 1.00 0.00 H new ATOM 0 HA VAL A 118 4.517 68.270 -56.152 1.00 0.00 H new ATOM 0 HB VAL A 118 5.304 65.995 -56.528 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.011 65.392 -54.252 1.00 0.00 H new ATOM 0 HG12 VAL A 118 6.148 67.142 -54.546 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.793 66.505 -53.583 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.271 64.068 -55.397 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.983 65.128 -54.776 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.142 64.853 -56.527 1.00 0.00 H new ATOM 1708 N VAL A 119 1.709 66.830 -56.981 1.00 0.00 N ATOM 1709 CA VAL A 119 0.774 66.592 -58.075 1.00 0.00 C ATOM 1710 C VAL A 119 0.529 67.868 -58.873 1.00 0.00 C ATOM 1711 O VAL A 119 0.977 67.996 -60.013 1.00 0.00 O ATOM 1712 CB VAL A 119 -0.573 66.059 -57.555 1.00 0.00 C ATOM 1713 CG1 VAL A 119 -1.670 66.287 -58.584 1.00 0.00 C ATOM 1714 CG2 VAL A 119 -0.460 64.582 -57.203 1.00 0.00 C ATOM 0 H VAL A 119 1.325 66.655 -56.053 1.00 0.00 H new ATOM 0 HA VAL A 119 1.227 65.842 -58.723 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.837 66.607 -56.650 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.615 65.904 -58.199 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.765 67.354 -58.784 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.417 65.766 -59.507 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.421 64.221 -56.837 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.174 64.017 -58.090 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.296 64.449 -56.429 1.00 0.00 H new ATOM 1724 N HIS A 120 -0.185 68.811 -58.268 1.00 0.00 N ATOM 1725 CA HIS A 120 -0.490 70.078 -58.922 1.00 0.00 C ATOM 1726 C HIS A 120 -0.229 71.252 -57.983 1.00 0.00 C ATOM 1727 O HIS A 120 0.202 72.320 -58.414 1.00 0.00 O ATOM 1728 CB HIS A 120 -1.946 70.099 -59.391 1.00 0.00 C ATOM 1729 CG HIS A 120 -2.239 69.112 -60.479 1.00 0.00 C ATOM 1730 ND1 HIS A 120 -3.330 68.270 -60.458 1.00 0.00 N ATOM 1731 CD2 HIS A 120 -1.575 68.837 -61.626 1.00 0.00 C ATOM 1732 CE1 HIS A 120 -3.325 67.518 -61.543 1.00 0.00 C ATOM 1733 NE2 HIS A 120 -2.271 67.845 -62.270 1.00 0.00 N ATOM 0 H HIS A 120 -0.564 68.722 -57.325 1.00 0.00 H new ATOM 0 HA HIS A 120 0.164 70.176 -59.789 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -2.596 69.893 -58.541 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -2.191 71.101 -59.745 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -0.667 69.310 -61.970 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -4.057 66.765 -61.794 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.016 67.428 -63.165 1.00 0.00 H new ATOM 1741 N GLU A 121 -0.496 71.044 -56.697 1.00 0.00 N ATOM 1742 CA GLU A 121 -0.291 72.087 -55.698 1.00 0.00 C ATOM 1743 C GLU A 121 -0.902 73.407 -56.155 1.00 0.00 C ATOM 1744 O GLU A 121 -0.352 74.480 -55.905 1.00 0.00 O ATOM 1745 CB GLU A 121 1.203 72.271 -55.419 1.00 0.00 C ATOM 1746 CG GLU A 121 1.492 73.111 -54.187 1.00 0.00 C ATOM 1747 CD GLU A 121 2.699 74.012 -54.365 1.00 0.00 C ATOM 1748 OE1 GLU A 121 3.477 73.779 -55.314 1.00 0.00 O ATOM 1749 OE2 GLU A 121 2.864 74.949 -53.557 1.00 0.00 O1- ATOM 0 H GLU A 121 -0.854 70.165 -56.323 1.00 0.00 H new ATOM 0 HA GLU A 121 -0.789 71.777 -54.779 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.665 71.291 -55.297 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.671 72.738 -56.285 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.619 73.721 -53.955 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.657 72.453 -53.334 1.00 0.00 H new ATOM 1756 N LYS A 122 -2.045 73.322 -56.829 1.00 0.00 N ATOM 1757 CA LYS A 122 -2.733 74.509 -57.322 1.00 0.00 C ATOM 1758 C LYS A 122 -3.546 75.167 -56.212 1.00 0.00 C ATOM 1759 O LYS A 122 -4.197 76.189 -56.430 1.00 0.00 O ATOM 1760 CB LYS A 122 -3.650 74.143 -58.491 1.00 0.00 C ATOM 1761 CG LYS A 122 -5.035 73.692 -58.060 1.00 0.00 C ATOM 1762 CD LYS A 122 -4.966 72.474 -57.156 1.00 0.00 C ATOM 1763 CE LYS A 122 -6.293 71.729 -57.123 1.00 0.00 C ATOM 1764 NZ LYS A 122 -6.464 70.852 -58.315 1.00 0.00 N1+ ATOM 0 H LYS A 122 -2.514 72.443 -57.046 1.00 0.00 H new ATOM 0 HA LYS A 122 -1.980 75.218 -57.666 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.747 75.006 -59.150 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -3.183 73.348 -59.073 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.538 74.506 -57.538 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.634 73.460 -58.941 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.180 71.804 -57.505 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.696 72.784 -56.146 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.349 71.126 -56.217 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.112 72.447 -57.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.379 70.361 -58.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.436 71.431 -59.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.697 70.151 -58.343 1.00 0.00 H new ATOM 1778 N ALA A 123 -3.501 74.578 -55.021 1.00 0.00 N ATOM 1779 CA ALA A 123 -4.229 75.110 -53.877 1.00 0.00 C ATOM 1780 C ALA A 123 -3.526 76.333 -53.298 1.00 0.00 C ATOM 1781 O ALA A 123 -4.039 76.983 -52.388 1.00 0.00 O ATOM 1782 CB ALA A 123 -4.392 74.037 -52.811 1.00 0.00 C ATOM 0 H ALA A 123 -2.967 73.731 -54.824 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.216 75.421 -54.218 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.938 74.448 -51.962 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.946 73.194 -53.225 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.409 73.699 -52.482 1.00 0.00 H new ATOM 1788 N ASP A 124 -2.349 76.640 -53.832 1.00 0.00 N ATOM 1789 CA ASP A 124 -1.574 77.785 -53.368 1.00 0.00 C ATOM 1790 C ASP A 124 -0.576 78.232 -54.431 1.00 0.00 C ATOM 1791 O ASP A 124 -0.387 79.428 -54.655 1.00 0.00 O ATOM 1792 CB ASP A 124 -0.837 77.439 -52.072 1.00 0.00 C ATOM 1793 CG ASP A 124 0.221 76.374 -52.275 1.00 0.00 C ATOM 1794 OD1 ASP A 124 -0.144 75.184 -52.371 1.00 0.00 O ATOM 1795 OD2 ASP A 124 1.417 76.731 -52.337 1.00 0.00 O1- ATOM 0 H ASP A 124 -1.911 76.112 -54.587 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.265 78.606 -53.176 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -0.370 78.339 -51.671 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -1.557 77.095 -51.329 1.00 0.00 H new ATOM 1800 N ASP A 125 0.060 77.264 -55.081 1.00 0.00 N ATOM 1801 CA ASP A 125 1.040 77.560 -56.122 1.00 0.00 C ATOM 1802 C ASP A 125 0.369 77.646 -57.491 1.00 0.00 C ATOM 1803 O ASP A 125 0.965 78.130 -58.454 1.00 0.00 O ATOM 1804 CB ASP A 125 2.131 76.489 -56.140 1.00 0.00 C ATOM 1805 CG ASP A 125 3.102 76.672 -57.292 1.00 0.00 C ATOM 1806 OD1 ASP A 125 4.053 77.469 -57.146 1.00 0.00 O ATOM 1807 OD2 ASP A 125 2.911 76.018 -58.338 1.00 0.00 O1- ATOM 0 H ASP A 125 -0.084 76.269 -54.907 1.00 0.00 H new ATOM 0 HA ASP A 125 1.493 78.526 -55.899 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.679 76.517 -55.198 1.00 0.00 H new ATOM 0 HB3 ASP A 125 1.669 75.504 -56.211 1.00 0.00 H new TER 1812 ASP A 125