USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 Single : A 5 HIS : no HE2:sc= 0.949 K(o=0.95,f=-4.9!) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 15 HIS : +bothHN:sc= 0.677 K(o=0.68,f=-13!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.255 K(o=-0.26,f=-3.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 175:sc= -2.23! USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0.75 (180deg=0.639) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= -2.06 (180deg=-2.23) USER MOD Single : A 39 SER OG : rot 73:sc= 1.24 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0191 F(o=-1.1,f=-0.019) USER MOD Single : A 49 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc=-0.00222 (180deg=-0.0968) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.365 K(o=-0.37,f=-1.1) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.62! C(o=-4.3!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -9.113 -5.693 -9.167 1.00 71.34 N ATOM 35 CA VAL A 3 -8.703 -5.464 -7.778 1.00 31.11 C ATOM 36 C VAL A 3 -7.673 -6.486 -7.277 1.00 52.44 C ATOM 37 O VAL A 3 -6.772 -6.135 -6.517 1.00 73.21 O ATOM 38 CB VAL A 3 -9.931 -5.447 -6.832 1.00 31.45 C ATOM 39 CG1 VAL A 3 -10.619 -6.805 -6.781 1.00 42.12 C ATOM 40 CG2 VAL A 3 -9.535 -4.991 -5.436 1.00 14.23 C ATOM 0 HA VAL A 3 -8.220 -4.487 -7.765 1.00 31.11 H new ATOM 0 HB VAL A 3 -10.645 -4.730 -7.237 1.00 31.45 H new ATOM 0 HG11 VAL A 3 -11.475 -6.754 -6.108 1.00 42.12 H new ATOM 0 HG12 VAL A 3 -10.959 -7.079 -7.780 1.00 42.12 H new ATOM 0 HG13 VAL A 3 -9.916 -7.555 -6.418 1.00 42.12 H new ATOM 0 HG21 VAL A 3 -10.414 -4.988 -4.791 1.00 14.23 H new ATOM 0 HG22 VAL A 3 -8.789 -5.673 -5.028 1.00 14.23 H new ATOM 0 HG23 VAL A 3 -9.118 -3.985 -5.486 1.00 14.23 H new ATOM 50 N ASP A 4 -7.790 -7.732 -7.719 1.00 62.13 N ATOM 51 CA ASP A 4 -6.895 -8.793 -7.252 1.00 62.35 C ATOM 52 C ASP A 4 -5.445 -8.502 -7.650 1.00 40.31 C ATOM 53 O ASP A 4 -4.519 -8.765 -6.886 1.00 64.43 O ATOM 54 CB ASP A 4 -7.338 -10.166 -7.788 1.00 74.44 C ATOM 55 CG ASP A 4 -7.021 -10.383 -9.258 1.00 53.54 C ATOM 56 OD1 ASP A 4 -7.174 -9.434 -10.058 1.00 21.54 O ATOM 57 OD2 ASP A 4 -6.615 -11.506 -9.619 1.00 54.13 O ATOM 0 H ASP A 4 -8.490 -8.035 -8.396 1.00 62.13 H new ATOM 0 HA ASP A 4 -6.951 -8.819 -6.164 1.00 62.35 H new ATOM 0 HB2 ASP A 4 -6.854 -10.947 -7.202 1.00 74.44 H new ATOM 0 HB3 ASP A 4 -8.412 -10.275 -7.638 1.00 74.44 H new ATOM 62 N HIS A 5 -5.261 -7.939 -8.836 1.00 31.51 N ATOM 63 CA HIS A 5 -3.933 -7.581 -9.318 1.00 74.31 C ATOM 64 C HIS A 5 -3.470 -6.266 -8.700 1.00 21.31 C ATOM 65 O HIS A 5 -2.277 -6.082 -8.453 1.00 44.14 O ATOM 66 CB HIS A 5 -3.916 -7.484 -10.846 1.00 25.44 C ATOM 67 CG HIS A 5 -3.897 -8.814 -11.541 1.00 32.05 C ATOM 68 ND1 HIS A 5 -4.987 -9.656 -11.592 1.00 72.33 N ATOM 69 CD2 HIS A 5 -2.908 -9.447 -12.215 1.00 21.13 C ATOM 70 CE1 HIS A 5 -4.669 -10.746 -12.265 1.00 5.34 C ATOM 71 NE2 HIS A 5 -3.413 -10.646 -12.654 1.00 73.51 N ATOM 0 H HIS A 5 -6.017 -7.719 -9.485 1.00 31.51 H new ATOM 0 HA HIS A 5 -3.243 -8.368 -9.015 1.00 74.31 H new ATOM 0 HB2 HIS A 5 -4.793 -6.926 -11.174 1.00 25.44 H new ATOM 0 HB3 HIS A 5 -3.041 -6.912 -11.154 1.00 25.44 H new ATOM 0 HD1 HIS A 5 -5.898 -9.466 -11.174 1.00 72.33 H new ATOM 0 HD2 HIS A 5 -1.906 -9.077 -12.377 1.00 21.13 H new ATOM 0 HE1 HIS A 5 -5.327 -11.579 -12.464 1.00 5.34 H new ATOM 80 N GLU A 6 -4.418 -5.360 -8.442 1.00 71.03 N ATOM 81 CA GLU A 6 -4.107 -4.077 -7.812 1.00 61.34 C ATOM 82 C GLU A 6 -3.441 -4.317 -6.456 1.00 5.14 C ATOM 83 O GLU A 6 -2.427 -3.699 -6.126 1.00 35.00 O ATOM 84 CB GLU A 6 -5.376 -3.236 -7.605 1.00 24.11 C ATOM 85 CG GLU A 6 -6.292 -3.132 -8.818 1.00 75.44 C ATOM 86 CD GLU A 6 -5.699 -2.358 -9.980 1.00 22.22 C ATOM 87 OE1 GLU A 6 -5.770 -1.110 -9.974 1.00 53.22 O ATOM 88 OE2 GLU A 6 -5.211 -3.002 -10.936 1.00 2.11 O ATOM 0 H GLU A 6 -5.406 -5.493 -8.660 1.00 71.03 H new ATOM 0 HA GLU A 6 -3.432 -3.533 -8.473 1.00 61.34 H new ATOM 0 HB2 GLU A 6 -5.943 -3.662 -6.777 1.00 24.11 H new ATOM 0 HB3 GLU A 6 -5.081 -2.230 -7.306 1.00 24.11 H new ATOM 0 HG2 GLU A 6 -6.544 -4.137 -9.156 1.00 75.44 H new ATOM 0 HG3 GLU A 6 -7.224 -2.654 -8.516 1.00 75.44 H new ATOM 95 N VAL A 7 -4.014 -5.243 -5.687 1.00 73.13 N ATOM 96 CA VAL A 7 -3.511 -5.566 -4.356 1.00 3.51 C ATOM 97 C VAL A 7 -2.093 -6.134 -4.414 1.00 43.05 C ATOM 98 O VAL A 7 -1.235 -5.752 -3.622 1.00 25.14 O ATOM 99 CB VAL A 7 -4.435 -6.574 -3.637 1.00 20.11 C ATOM 100 CG1 VAL A 7 -3.912 -6.894 -2.245 1.00 5.25 C ATOM 101 CG2 VAL A 7 -5.856 -6.040 -3.555 1.00 3.32 C ATOM 0 H VAL A 7 -4.832 -5.784 -5.967 1.00 73.13 H new ATOM 0 HA VAL A 7 -3.493 -4.633 -3.793 1.00 3.51 H new ATOM 0 HB VAL A 7 -4.443 -7.494 -4.221 1.00 20.11 H new ATOM 0 HG11 VAL A 7 -4.580 -7.606 -1.760 1.00 5.25 H new ATOM 0 HG12 VAL A 7 -2.915 -7.327 -2.322 1.00 5.25 H new ATOM 0 HG13 VAL A 7 -3.866 -5.979 -1.654 1.00 5.25 H new ATOM 0 HG21 VAL A 7 -6.489 -6.766 -3.045 1.00 3.32 H new ATOM 0 HG22 VAL A 7 -5.861 -5.102 -3.000 1.00 3.32 H new ATOM 0 HG23 VAL A 7 -6.239 -5.868 -4.561 1.00 3.32 H new ATOM 111 N ASN A 8 -1.849 -7.035 -5.355 1.00 33.13 N ATOM 112 CA ASN A 8 -0.525 -7.637 -5.508 1.00 64.01 C ATOM 113 C ASN A 8 0.478 -6.596 -5.985 1.00 33.33 C ATOM 114 O ASN A 8 1.656 -6.644 -5.630 1.00 52.30 O ATOM 115 CB ASN A 8 -0.564 -8.809 -6.492 1.00 3.52 C ATOM 116 CG ASN A 8 -1.439 -9.949 -6.010 1.00 64.23 C ATOM 117 OD1 ASN A 8 -1.579 -10.181 -4.810 1.00 72.11 O ATOM 118 ND2 ASN A 8 -2.030 -10.674 -6.945 1.00 24.33 N ATOM 0 H ASN A 8 -2.545 -7.367 -6.023 1.00 33.13 H new ATOM 0 HA ASN A 8 -0.214 -8.014 -4.534 1.00 64.01 H new ATOM 0 HB2 ASN A 8 -0.932 -8.457 -7.456 1.00 3.52 H new ATOM 0 HB3 ASN A 8 0.449 -9.177 -6.653 1.00 3.52 H new ATOM 0 HD21 ASN A 8 -2.627 -11.458 -6.681 1.00 24.33 H new ATOM 0 HD22 ASN A 8 -1.889 -10.449 -7.930 1.00 24.33 H new ATOM 125 N LEU A 9 0.004 -5.649 -6.784 1.00 14.03 N ATOM 126 CA LEU A 9 0.834 -4.545 -7.226 1.00 44.53 C ATOM 127 C LEU A 9 1.225 -3.685 -6.028 1.00 14.31 C ATOM 128 O LEU A 9 2.348 -3.192 -5.941 1.00 52.20 O ATOM 129 CB LEU A 9 0.087 -3.712 -8.267 1.00 64.00 C ATOM 130 CG LEU A 9 0.843 -2.496 -8.788 1.00 15.05 C ATOM 131 CD1 LEU A 9 2.109 -2.918 -9.519 1.00 64.30 C ATOM 132 CD2 LEU A 9 -0.050 -1.668 -9.694 1.00 74.44 C ATOM 0 H LEU A 9 -0.953 -5.627 -7.138 1.00 14.03 H new ATOM 0 HA LEU A 9 1.741 -4.937 -7.687 1.00 44.53 H new ATOM 0 HB2 LEU A 9 -0.163 -4.354 -9.112 1.00 64.00 H new ATOM 0 HB3 LEU A 9 -0.855 -3.376 -7.833 1.00 64.00 H new ATOM 0 HG LEU A 9 1.135 -1.882 -7.936 1.00 15.05 H new ATOM 0 HD11 LEU A 9 2.632 -2.033 -9.882 1.00 64.30 H new ATOM 0 HD12 LEU A 9 2.757 -3.468 -8.837 1.00 64.30 H new ATOM 0 HD13 LEU A 9 1.846 -3.556 -10.363 1.00 64.30 H new ATOM 0 HD21 LEU A 9 0.504 -0.803 -10.059 1.00 74.44 H new ATOM 0 HD22 LEU A 9 -0.373 -2.275 -10.540 1.00 74.44 H new ATOM 0 HD23 LEU A 9 -0.923 -1.331 -9.135 1.00 74.44 H new ATOM 144 N LEU A 10 0.291 -3.541 -5.095 1.00 50.44 N ATOM 145 CA LEU A 10 0.529 -2.805 -3.862 1.00 21.22 C ATOM 146 C LEU A 10 1.696 -3.414 -3.091 1.00 71.13 C ATOM 147 O LEU A 10 2.590 -2.700 -2.633 1.00 14.31 O ATOM 148 CB LEU A 10 -0.734 -2.811 -2.996 1.00 12.31 C ATOM 149 CG LEU A 10 -0.650 -2.020 -1.687 1.00 34.13 C ATOM 150 CD1 LEU A 10 -0.435 -0.539 -1.961 1.00 3.31 C ATOM 151 CD2 LEU A 10 -1.908 -2.234 -0.858 1.00 23.55 C ATOM 0 H LEU A 10 -0.649 -3.930 -5.173 1.00 50.44 H new ATOM 0 HA LEU A 10 0.782 -1.776 -4.116 1.00 21.22 H new ATOM 0 HB2 LEU A 10 -1.559 -2.412 -3.587 1.00 12.31 H new ATOM 0 HB3 LEU A 10 -0.983 -3.845 -2.758 1.00 12.31 H new ATOM 0 HG LEU A 10 0.206 -2.386 -1.120 1.00 34.13 H new ATOM 0 HD11 LEU A 10 -0.379 0.001 -1.016 1.00 3.31 H new ATOM 0 HD12 LEU A 10 0.495 -0.402 -2.513 1.00 3.31 H new ATOM 0 HD13 LEU A 10 -1.267 -0.154 -2.550 1.00 3.31 H new ATOM 0 HD21 LEU A 10 -1.834 -1.666 0.069 1.00 23.55 H new ATOM 0 HD22 LEU A 10 -2.777 -1.896 -1.422 1.00 23.55 H new ATOM 0 HD23 LEU A 10 -2.015 -3.294 -0.626 1.00 23.55 H new ATOM 163 N VAL A 11 1.703 -4.737 -2.971 1.00 53.02 N ATOM 164 CA VAL A 11 2.764 -5.418 -2.238 1.00 61.24 C ATOM 165 C VAL A 11 4.092 -5.277 -2.986 1.00 3.51 C ATOM 166 O VAL A 11 5.150 -5.157 -2.369 1.00 31.14 O ATOM 167 CB VAL A 11 2.444 -6.918 -1.974 1.00 21.43 C ATOM 168 CG1 VAL A 11 0.953 -7.134 -1.776 1.00 30.45 C ATOM 169 CG2 VAL A 11 2.990 -7.828 -3.065 1.00 70.12 C ATOM 0 H VAL A 11 0.994 -5.354 -3.367 1.00 53.02 H new ATOM 0 HA VAL A 11 2.842 -4.938 -1.263 1.00 61.24 H new ATOM 0 HB VAL A 11 2.953 -7.191 -1.050 1.00 21.43 H new ATOM 0 HG11 VAL A 11 0.760 -8.191 -1.594 1.00 30.45 H new ATOM 0 HG12 VAL A 11 0.611 -6.550 -0.922 1.00 30.45 H new ATOM 0 HG13 VAL A 11 0.417 -6.816 -2.671 1.00 30.45 H new ATOM 0 HG21 VAL A 11 2.740 -8.864 -2.834 1.00 70.12 H new ATOM 0 HG22 VAL A 11 2.548 -7.553 -4.023 1.00 70.12 H new ATOM 0 HG23 VAL A 11 4.073 -7.720 -3.121 1.00 70.12 H new ATOM 179 N GLU A 12 4.022 -5.256 -4.317 1.00 22.21 N ATOM 180 CA GLU A 12 5.210 -5.097 -5.151 1.00 12.24 C ATOM 181 C GLU A 12 5.839 -3.726 -4.947 1.00 65.03 C ATOM 182 O GLU A 12 7.067 -3.592 -4.908 1.00 35.44 O ATOM 183 CB GLU A 12 4.862 -5.304 -6.624 1.00 53.14 C ATOM 184 CG GLU A 12 5.239 -6.680 -7.147 1.00 35.04 C ATOM 185 CD GLU A 12 6.740 -6.868 -7.230 1.00 64.21 C ATOM 186 OE1 GLU A 12 7.371 -7.147 -6.189 1.00 64.23 O ATOM 187 OE2 GLU A 12 7.297 -6.720 -8.333 1.00 23.53 O ATOM 0 H GLU A 12 3.152 -5.348 -4.841 1.00 22.21 H new ATOM 0 HA GLU A 12 5.935 -5.854 -4.852 1.00 12.24 H new ATOM 0 HB2 GLU A 12 3.791 -5.152 -6.761 1.00 53.14 H new ATOM 0 HB3 GLU A 12 5.370 -4.546 -7.220 1.00 53.14 H new ATOM 0 HG2 GLU A 12 4.814 -7.444 -6.495 1.00 35.04 H new ATOM 0 HG3 GLU A 12 4.801 -6.824 -8.135 1.00 35.04 H new ATOM 194 N GLU A 13 4.999 -2.714 -4.807 1.00 33.03 N ATOM 195 CA GLU A 13 5.471 -1.366 -4.542 1.00 71.25 C ATOM 196 C GLU A 13 6.127 -1.291 -3.174 1.00 54.35 C ATOM 197 O GLU A 13 7.199 -0.703 -3.019 1.00 64.41 O ATOM 198 CB GLU A 13 4.322 -0.367 -4.645 1.00 5.44 C ATOM 199 CG GLU A 13 3.792 -0.236 -6.059 1.00 3.02 C ATOM 200 CD GLU A 13 4.914 -0.027 -7.051 1.00 43.31 C ATOM 201 OE1 GLU A 13 5.675 0.947 -6.888 1.00 23.45 O ATOM 202 OE2 GLU A 13 5.069 -0.857 -7.972 1.00 41.32 O ATOM 0 H GLU A 13 3.985 -2.801 -4.873 1.00 33.03 H new ATOM 0 HA GLU A 13 6.217 -1.107 -5.293 1.00 71.25 H new ATOM 0 HB2 GLU A 13 3.513 -0.679 -3.985 1.00 5.44 H new ATOM 0 HB3 GLU A 13 4.660 0.608 -4.295 1.00 5.44 H new ATOM 0 HG2 GLU A 13 3.232 -1.133 -6.324 1.00 3.02 H new ATOM 0 HG3 GLU A 13 3.096 0.601 -6.112 1.00 3.02 H new ATOM 209 N ILE A 14 5.494 -1.913 -2.188 1.00 51.04 N ATOM 210 CA ILE A 14 6.052 -1.981 -0.845 1.00 54.31 C ATOM 211 C ILE A 14 7.376 -2.747 -0.856 1.00 72.42 C ATOM 212 O ILE A 14 8.294 -2.429 -0.103 1.00 64.23 O ATOM 213 CB ILE A 14 5.068 -2.642 0.145 1.00 42.43 C ATOM 214 CG1 ILE A 14 3.745 -1.870 0.165 1.00 32.22 C ATOM 215 CG2 ILE A 14 5.669 -2.694 1.542 1.00 22.42 C ATOM 216 CD1 ILE A 14 2.695 -2.473 1.074 1.00 20.42 C ATOM 0 H ILE A 14 4.592 -2.378 -2.294 1.00 51.04 H new ATOM 0 HA ILE A 14 6.231 -0.959 -0.511 1.00 54.31 H new ATOM 0 HB ILE A 14 4.876 -3.663 -0.185 1.00 42.43 H new ATOM 0 HG12 ILE A 14 3.939 -0.845 0.481 1.00 32.22 H new ATOM 0 HG13 ILE A 14 3.349 -1.822 -0.849 1.00 32.22 H new ATOM 0 HG21 ILE A 14 4.961 -3.163 2.225 1.00 22.42 H new ATOM 0 HG22 ILE A 14 6.591 -3.275 1.520 1.00 22.42 H new ATOM 0 HG23 ILE A 14 5.886 -1.682 1.883 1.00 22.42 H new ATOM 0 HD11 ILE A 14 1.788 -1.869 1.033 1.00 20.42 H new ATOM 0 HD12 ILE A 14 2.470 -3.488 0.747 1.00 20.42 H new ATOM 0 HD13 ILE A 14 3.070 -2.496 2.097 1.00 20.42 H new ATOM 228 N HIS A 15 7.474 -3.750 -1.728 1.00 0.21 N ATOM 229 CA HIS A 15 8.711 -4.513 -1.882 1.00 21.10 C ATOM 230 C HIS A 15 9.882 -3.598 -2.244 1.00 24.13 C ATOM 231 O HIS A 15 10.927 -3.624 -1.594 1.00 44.03 O ATOM 232 CB HIS A 15 8.585 -5.578 -2.981 1.00 23.10 C ATOM 233 CG HIS A 15 7.700 -6.751 -2.668 1.00 41.15 C ATOM 234 ND1 HIS A 15 7.231 -7.598 -3.645 1.00 23.43 N ATOM 235 CD2 HIS A 15 7.230 -7.244 -1.496 1.00 21.54 C ATOM 236 CE1 HIS A 15 6.519 -8.556 -3.093 1.00 13.21 C ATOM 237 NE2 HIS A 15 6.501 -8.372 -1.788 1.00 34.34 N ATOM 0 H HIS A 15 6.713 -4.052 -2.337 1.00 0.21 H new ATOM 0 HA HIS A 15 8.895 -4.996 -0.923 1.00 21.10 H new ATOM 0 HB2 HIS A 15 8.209 -5.096 -3.884 1.00 23.10 H new ATOM 0 HB3 HIS A 15 9.582 -5.953 -3.211 1.00 23.10 H new ATOM 0 HD1 HIS A 15 7.408 -7.498 -4.645 1.00 23.43 H new ATOM 0 HD2 HIS A 15 7.397 -6.827 -0.514 1.00 21.54 H new ATOM 0 HE1 HIS A 15 6.030 -9.361 -3.622 1.00 13.21 H new ATOM 0 HE2 HIS A 15 6.026 -8.967 -1.109 1.00 34.34 H new ATOM 246 N ARG A 16 9.699 -2.786 -3.286 1.00 1.22 N ATOM 247 CA ARG A 16 10.798 -1.994 -3.839 1.00 53.24 C ATOM 248 C ARG A 16 10.968 -0.646 -3.130 1.00 71.32 C ATOM 249 O ARG A 16 12.090 -0.248 -2.810 1.00 12.45 O ATOM 250 CB ARG A 16 10.615 -1.792 -5.353 1.00 63.45 C ATOM 251 CG ARG A 16 9.354 -1.033 -5.746 1.00 74.25 C ATOM 252 CD ARG A 16 9.273 -0.819 -7.251 1.00 43.41 C ATOM 253 NE ARG A 16 8.199 0.103 -7.611 1.00 44.51 N ATOM 254 CZ ARG A 16 8.227 0.923 -8.662 1.00 41.43 C ATOM 255 NH1 ARG A 16 9.234 0.886 -9.527 1.00 62.11 N ATOM 256 NH2 ARG A 16 7.222 1.762 -8.852 1.00 10.51 N ATOM 0 H ARG A 16 8.806 -2.660 -3.762 1.00 1.22 H new ATOM 0 HA ARG A 16 11.713 -2.560 -3.666 1.00 53.24 H new ATOM 0 HB2 ARG A 16 11.481 -1.256 -5.742 1.00 63.45 H new ATOM 0 HB3 ARG A 16 10.601 -2.769 -5.837 1.00 63.45 H new ATOM 0 HG2 ARG A 16 8.477 -1.585 -5.409 1.00 74.25 H new ATOM 0 HG3 ARG A 16 9.337 -0.068 -5.240 1.00 74.25 H new ATOM 0 HD2 ARG A 16 10.224 -0.429 -7.614 1.00 43.41 H new ATOM 0 HD3 ARG A 16 9.111 -1.777 -7.746 1.00 43.41 H new ATOM 0 HE ARG A 16 7.370 0.121 -7.017 1.00 44.51 H new ATOM 0 HH11 ARG A 16 9.999 0.225 -9.392 1.00 62.11 H new ATOM 0 HH12 ARG A 16 9.243 1.519 -10.327 1.00 62.11 H new ATOM 0 HH21 ARG A 16 6.439 1.776 -8.199 1.00 10.51 H new ATOM 0 HH22 ARG A 16 7.230 2.395 -9.652 1.00 10.51 H new ATOM 270 N LEU A 17 9.865 0.049 -2.874 1.00 14.45 N ATOM 271 CA LEU A 17 9.921 1.391 -2.294 1.00 72.45 C ATOM 272 C LEU A 17 9.948 1.345 -0.774 1.00 14.14 C ATOM 273 O LEU A 17 10.230 2.351 -0.122 1.00 74.12 O ATOM 274 CB LEU A 17 8.728 2.233 -2.755 1.00 42.24 C ATOM 275 CG LEU A 17 9.007 3.217 -3.896 1.00 64.22 C ATOM 276 CD1 LEU A 17 9.461 2.489 -5.150 1.00 45.22 C ATOM 277 CD2 LEU A 17 7.768 4.053 -4.182 1.00 11.52 C ATOM 0 H LEU A 17 8.921 -0.292 -3.058 1.00 14.45 H new ATOM 0 HA LEU A 17 10.846 1.851 -2.643 1.00 72.45 H new ATOM 0 HB2 LEU A 17 7.931 1.559 -3.069 1.00 42.24 H new ATOM 0 HB3 LEU A 17 8.352 2.795 -1.900 1.00 42.24 H new ATOM 0 HG LEU A 17 9.815 3.879 -3.585 1.00 64.22 H new ATOM 0 HD11 LEU A 17 9.651 3.213 -5.942 1.00 45.22 H new ATOM 0 HD12 LEU A 17 10.375 1.934 -4.938 1.00 45.22 H new ATOM 0 HD13 LEU A 17 8.683 1.797 -5.471 1.00 45.22 H new ATOM 0 HD21 LEU A 17 7.978 4.749 -4.994 1.00 11.52 H new ATOM 0 HD22 LEU A 17 6.945 3.398 -4.469 1.00 11.52 H new ATOM 0 HD23 LEU A 17 7.492 4.612 -3.288 1.00 11.52 H new ATOM 289 N GLY A 18 9.663 0.182 -0.212 1.00 74.41 N ATOM 290 CA GLY A 18 9.570 0.063 1.223 1.00 71.04 C ATOM 291 C GLY A 18 10.888 -0.299 1.872 1.00 33.24 C ATOM 292 O GLY A 18 11.847 -0.680 1.198 1.00 71.04 O ATOM 0 H GLY A 18 9.494 -0.682 -0.727 1.00 74.41 H new ATOM 0 HA2 GLY A 18 9.214 1.006 1.638 1.00 71.04 H new ATOM 0 HA3 GLY A 18 8.828 -0.696 1.472 1.00 71.04 H new ATOM 296 N SER A 19 10.922 -0.169 3.182 1.00 61.34 N ATOM 297 CA SER A 19 12.083 -0.516 3.981 1.00 12.23 C ATOM 298 C SER A 19 11.674 -1.506 5.063 1.00 41.53 C ATOM 299 O SER A 19 10.490 -1.609 5.395 1.00 3.25 O ATOM 300 CB SER A 19 12.698 0.739 4.608 1.00 64.14 C ATOM 301 OG SER A 19 13.085 1.669 3.610 1.00 11.51 O ATOM 0 H SER A 19 10.137 0.184 3.729 1.00 61.34 H new ATOM 0 HA SER A 19 12.835 -0.976 3.339 1.00 12.23 H new ATOM 0 HB2 SER A 19 11.978 1.203 5.283 1.00 64.14 H new ATOM 0 HB3 SER A 19 13.565 0.462 5.208 1.00 64.14 H new ATOM 0 HG SER A 19 13.473 2.462 4.035 1.00 11.51 H new ATOM 307 N LYS A 20 12.632 -2.244 5.598 1.00 51.54 N ATOM 308 CA LYS A 20 12.325 -3.241 6.608 1.00 2.30 C ATOM 309 C LYS A 20 12.012 -2.592 7.942 1.00 12.21 C ATOM 310 O LYS A 20 12.767 -1.766 8.454 1.00 4.33 O ATOM 311 CB LYS A 20 13.472 -4.231 6.784 1.00 34.22 C ATOM 312 CG LYS A 20 13.573 -5.252 5.668 1.00 1.11 C ATOM 313 CD LYS A 20 14.716 -6.218 5.920 1.00 22.10 C ATOM 314 CE LYS A 20 14.744 -7.336 4.892 1.00 23.21 C ATOM 315 NZ LYS A 20 15.829 -8.311 5.176 1.00 42.25 N ATOM 0 H LYS A 20 13.619 -2.173 5.353 1.00 51.54 H new ATOM 0 HA LYS A 20 11.445 -3.782 6.260 1.00 2.30 H new ATOM 0 HB2 LYS A 20 14.410 -3.679 6.846 1.00 34.22 H new ATOM 0 HB3 LYS A 20 13.347 -4.754 7.732 1.00 34.22 H new ATOM 0 HG2 LYS A 20 12.636 -5.804 5.588 1.00 1.11 H new ATOM 0 HG3 LYS A 20 13.725 -4.743 4.716 1.00 1.11 H new ATOM 0 HD2 LYS A 20 15.662 -5.677 5.895 1.00 22.10 H new ATOM 0 HD3 LYS A 20 14.619 -6.644 6.919 1.00 22.10 H new ATOM 0 HE2 LYS A 20 13.783 -7.851 4.887 1.00 23.21 H new ATOM 0 HE3 LYS A 20 14.885 -6.913 3.897 1.00 23.21 H new ATOM 0 HZ1 LYS A 20 15.820 -9.061 4.455 1.00 42.25 H new ATOM 0 HZ2 LYS A 20 16.748 -7.824 5.157 1.00 42.25 H new ATOM 0 HZ3 LYS A 20 15.680 -8.732 6.115 1.00 42.25 H new ATOM 329 N ASN A 21 10.876 -2.983 8.480 1.00 43.11 N ATOM 330 CA ASN A 21 10.415 -2.519 9.774 1.00 55.41 C ATOM 331 C ASN A 21 10.997 -3.417 10.857 1.00 3.45 C ATOM 332 O ASN A 21 11.549 -4.480 10.558 1.00 54.24 O ATOM 333 CB ASN A 21 8.879 -2.537 9.802 1.00 51.23 C ATOM 334 CG ASN A 21 8.264 -1.939 11.054 1.00 11.12 C ATOM 335 OD1 ASN A 21 8.837 -1.061 11.694 1.00 1.41 O ATOM 336 ND2 ASN A 21 7.075 -2.406 11.397 1.00 72.31 N ATOM 0 H ASN A 21 10.239 -3.639 8.027 1.00 43.11 H new ATOM 0 HA ASN A 21 10.747 -1.497 9.955 1.00 55.41 H new ATOM 0 HB2 ASN A 21 8.506 -1.993 8.934 1.00 51.23 H new ATOM 0 HB3 ASN A 21 8.539 -3.568 9.702 1.00 51.23 H new ATOM 0 HD21 ASN A 21 6.600 -2.036 12.220 1.00 72.31 H new ATOM 0 HD22 ASN A 21 6.633 -3.136 10.838 1.00 72.31 H new ATOM 343 N ALA A 22 10.843 -3.004 12.101 1.00 72.20 N ATOM 344 CA ALA A 22 11.484 -3.671 13.238 1.00 50.15 C ATOM 345 C ALA A 22 11.130 -5.157 13.324 1.00 10.32 C ATOM 346 O ALA A 22 11.949 -5.972 13.745 1.00 61.42 O ATOM 347 CB ALA A 22 11.110 -2.974 14.535 1.00 25.42 C ATOM 0 H ALA A 22 10.273 -2.199 12.360 1.00 72.20 H new ATOM 0 HA ALA A 22 12.560 -3.603 13.080 1.00 50.15 H new ATOM 0 HB1 ALA A 22 11.593 -3.479 15.372 1.00 25.42 H new ATOM 0 HB2 ALA A 22 11.440 -1.936 14.499 1.00 25.42 H new ATOM 0 HB3 ALA A 22 10.028 -3.006 14.667 1.00 25.42 H new ATOM 353 N ASP A 23 9.922 -5.508 12.909 1.00 31.31 N ATOM 354 CA ASP A 23 9.442 -6.885 13.025 1.00 51.14 C ATOM 355 C ASP A 23 9.826 -7.727 11.812 1.00 0.02 C ATOM 356 O ASP A 23 9.411 -8.879 11.697 1.00 33.42 O ATOM 357 CB ASP A 23 7.922 -6.903 13.186 1.00 72.12 C ATOM 358 CG ASP A 23 7.453 -6.103 14.378 1.00 71.33 C ATOM 359 OD1 ASP A 23 7.496 -6.630 15.507 1.00 2.40 O ATOM 360 OD2 ASP A 23 7.039 -4.941 14.187 1.00 21.12 O ATOM 0 H ASP A 23 9.254 -4.862 12.489 1.00 31.31 H new ATOM 0 HA ASP A 23 9.917 -7.318 13.906 1.00 51.14 H new ATOM 0 HB2 ASP A 23 7.460 -6.505 12.282 1.00 72.12 H new ATOM 0 HB3 ASP A 23 7.584 -7.934 13.290 1.00 72.12 H new ATOM 365 N GLY A 24 10.613 -7.161 10.908 1.00 22.25 N ATOM 366 CA GLY A 24 10.955 -7.869 9.688 1.00 2.34 C ATOM 367 C GLY A 24 9.870 -7.716 8.643 1.00 61.04 C ATOM 368 O GLY A 24 9.759 -8.514 7.713 1.00 34.43 O ATOM 0 H GLY A 24 11.020 -6.230 10.995 1.00 22.25 H new ATOM 0 HA2 GLY A 24 11.898 -7.488 9.295 1.00 2.34 H new ATOM 0 HA3 GLY A 24 11.105 -8.926 9.908 1.00 2.34 H new ATOM 372 N LYS A 25 9.053 -6.691 8.823 1.00 53.15 N ATOM 373 CA LYS A 25 7.978 -6.378 7.895 1.00 65.13 C ATOM 374 C LYS A 25 8.467 -5.349 6.886 1.00 25.12 C ATOM 375 O LYS A 25 9.499 -4.724 7.094 1.00 71.15 O ATOM 376 CB LYS A 25 6.775 -5.829 8.668 1.00 12.32 C ATOM 377 CG LYS A 25 6.188 -6.818 9.668 1.00 11.44 C ATOM 378 CD LYS A 25 5.124 -6.169 10.539 1.00 4.21 C ATOM 379 CE LYS A 25 4.543 -7.158 11.537 1.00 32.34 C ATOM 380 NZ LYS A 25 3.640 -6.502 12.520 1.00 74.24 N ATOM 0 H LYS A 25 9.116 -6.053 9.616 1.00 53.15 H new ATOM 0 HA LYS A 25 7.675 -7.281 7.366 1.00 65.13 H new ATOM 0 HB2 LYS A 25 7.076 -4.925 9.198 1.00 12.32 H new ATOM 0 HB3 LYS A 25 6.000 -5.539 7.959 1.00 12.32 H new ATOM 0 HG2 LYS A 25 5.755 -7.663 9.133 1.00 11.44 H new ATOM 0 HG3 LYS A 25 6.984 -7.214 10.299 1.00 11.44 H new ATOM 0 HD2 LYS A 25 5.556 -5.323 11.073 1.00 4.21 H new ATOM 0 HD3 LYS A 25 4.327 -5.775 9.909 1.00 4.21 H new ATOM 0 HE2 LYS A 25 3.993 -7.931 11.001 1.00 32.34 H new ATOM 0 HE3 LYS A 25 5.355 -7.655 12.068 1.00 32.34 H new ATOM 0 HZ1 LYS A 25 3.268 -7.215 13.179 1.00 74.24 H new ATOM 0 HZ2 LYS A 25 4.170 -5.782 13.051 1.00 74.24 H new ATOM 0 HZ3 LYS A 25 2.850 -6.050 12.017 1.00 74.24 H new ATOM 394 N LEU A 26 7.742 -5.183 5.797 1.00 61.01 N ATOM 395 CA LEU A 26 8.091 -4.168 4.814 1.00 73.24 C ATOM 396 C LEU A 26 7.162 -2.976 4.959 1.00 21.13 C ATOM 397 O LEU A 26 5.950 -3.115 4.851 1.00 61.31 O ATOM 398 CB LEU A 26 8.017 -4.740 3.398 1.00 34.13 C ATOM 399 CG LEU A 26 9.058 -5.815 3.086 1.00 4.33 C ATOM 400 CD1 LEU A 26 8.826 -6.393 1.700 1.00 43.40 C ATOM 401 CD2 LEU A 26 10.463 -5.241 3.198 1.00 44.12 C ATOM 0 H LEU A 26 6.913 -5.732 5.569 1.00 61.01 H new ATOM 0 HA LEU A 26 9.116 -3.842 4.991 1.00 73.24 H new ATOM 0 HB2 LEU A 26 7.023 -5.160 3.242 1.00 34.13 H new ATOM 0 HB3 LEU A 26 8.133 -3.924 2.685 1.00 34.13 H new ATOM 0 HG LEU A 26 8.955 -6.619 3.815 1.00 4.33 H new ATOM 0 HD11 LEU A 26 9.576 -7.157 1.494 1.00 43.40 H new ATOM 0 HD12 LEU A 26 7.832 -6.838 1.653 1.00 43.40 H new ATOM 0 HD13 LEU A 26 8.903 -5.599 0.957 1.00 43.40 H new ATOM 0 HD21 LEU A 26 11.193 -6.019 2.973 1.00 44.12 H new ATOM 0 HD22 LEU A 26 10.578 -4.420 2.491 1.00 44.12 H new ATOM 0 HD23 LEU A 26 10.626 -4.873 4.211 1.00 44.12 H new ATOM 413 N SER A 27 7.726 -1.815 5.223 1.00 75.12 N ATOM 414 CA SER A 27 6.925 -0.633 5.472 1.00 31.32 C ATOM 415 C SER A 27 7.316 0.497 4.539 1.00 33.10 C ATOM 416 O SER A 27 8.491 0.661 4.204 1.00 44.42 O ATOM 417 CB SER A 27 7.080 -0.197 6.930 1.00 2.14 C ATOM 418 OG SER A 27 6.457 1.048 7.175 1.00 71.52 O ATOM 0 H SER A 27 8.734 -1.664 5.271 1.00 75.12 H new ATOM 0 HA SER A 27 5.880 -0.879 5.282 1.00 31.32 H new ATOM 0 HB2 SER A 27 6.648 -0.955 7.584 1.00 2.14 H new ATOM 0 HB3 SER A 27 8.139 -0.128 7.178 1.00 2.14 H new ATOM 0 HG SER A 27 6.506 1.255 8.132 1.00 71.52 H new ATOM 424 N VAL A 28 6.325 1.264 4.115 1.00 31.34 N ATOM 425 CA VAL A 28 6.563 2.418 3.272 1.00 14.43 C ATOM 426 C VAL A 28 5.542 3.515 3.578 1.00 24.34 C ATOM 427 O VAL A 28 4.370 3.229 3.824 1.00 23.22 O ATOM 428 CB VAL A 28 6.516 2.038 1.766 1.00 23.25 C ATOM 429 CG1 VAL A 28 5.159 1.463 1.382 1.00 41.21 C ATOM 430 CG2 VAL A 28 6.859 3.233 0.886 1.00 42.33 C ATOM 0 H VAL A 28 5.344 1.105 4.344 1.00 31.34 H new ATOM 0 HA VAL A 28 7.563 2.794 3.489 1.00 14.43 H new ATOM 0 HB VAL A 28 7.268 1.267 1.601 1.00 23.25 H new ATOM 0 HG11 VAL A 28 5.159 1.207 0.322 1.00 41.21 H new ATOM 0 HG12 VAL A 28 4.963 0.567 1.971 1.00 41.21 H new ATOM 0 HG13 VAL A 28 4.382 2.202 1.577 1.00 41.21 H new ATOM 0 HG21 VAL A 28 6.818 2.937 -0.162 1.00 42.33 H new ATOM 0 HG22 VAL A 28 6.142 4.034 1.065 1.00 42.33 H new ATOM 0 HG23 VAL A 28 7.863 3.584 1.125 1.00 42.33 H new ATOM 440 N LYS A 29 5.990 4.764 3.588 1.00 71.21 N ATOM 441 CA LYS A 29 5.108 5.882 3.896 1.00 44.34 C ATOM 442 C LYS A 29 4.109 6.127 2.774 1.00 61.32 C ATOM 443 O LYS A 29 4.407 5.914 1.594 1.00 73.42 O ATOM 444 CB LYS A 29 5.902 7.157 4.141 1.00 40.52 C ATOM 445 CG LYS A 29 6.828 7.092 5.342 1.00 34.33 C ATOM 446 CD LYS A 29 7.308 8.479 5.724 1.00 34.03 C ATOM 447 CE LYS A 29 8.022 9.159 4.568 1.00 71.21 C ATOM 448 NZ LYS A 29 8.126 10.628 4.761 1.00 2.21 N ATOM 0 H LYS A 29 6.955 5.028 3.387 1.00 71.21 H new ATOM 0 HA LYS A 29 4.566 5.615 4.803 1.00 44.34 H new ATOM 0 HB2 LYS A 29 6.493 7.380 3.253 1.00 40.52 H new ATOM 0 HB3 LYS A 29 5.206 7.985 4.277 1.00 40.52 H new ATOM 0 HG2 LYS A 29 6.307 6.637 6.185 1.00 34.33 H new ATOM 0 HG3 LYS A 29 7.683 6.456 5.114 1.00 34.33 H new ATOM 0 HD2 LYS A 29 6.458 9.086 6.036 1.00 34.03 H new ATOM 0 HD3 LYS A 29 7.981 8.410 6.579 1.00 34.03 H new ATOM 0 HE2 LYS A 29 9.021 8.736 4.461 1.00 71.21 H new ATOM 0 HE3 LYS A 29 7.487 8.953 3.641 1.00 71.21 H new ATOM 0 HZ1 LYS A 29 8.512 11.065 3.900 1.00 2.21 H new ATOM 0 HZ2 LYS A 29 7.183 11.020 4.956 1.00 2.21 H new ATOM 0 HZ3 LYS A 29 8.757 10.829 5.563 1.00 2.21 H new ATOM 462 N PHE A 30 2.928 6.599 3.157 1.00 73.23 N ATOM 463 CA PHE A 30 1.871 6.914 2.210 1.00 54.40 C ATOM 464 C PHE A 30 2.320 7.983 1.217 1.00 14.14 C ATOM 465 O PHE A 30 2.031 7.887 0.029 1.00 41.50 O ATOM 466 CB PHE A 30 0.624 7.389 2.960 1.00 41.20 C ATOM 467 CG PHE A 30 -0.533 7.718 2.063 1.00 33.41 C ATOM 468 CD1 PHE A 30 -1.246 6.707 1.446 1.00 4.44 C ATOM 469 CD2 PHE A 30 -0.908 9.034 1.840 1.00 13.34 C ATOM 470 CE1 PHE A 30 -2.316 6.998 0.621 1.00 14.42 C ATOM 471 CE2 PHE A 30 -1.977 9.334 1.016 1.00 50.53 C ATOM 472 CZ PHE A 30 -2.681 8.313 0.404 1.00 1.31 C ATOM 0 H PHE A 30 2.679 6.773 4.131 1.00 73.23 H new ATOM 0 HA PHE A 30 1.635 6.009 1.650 1.00 54.40 H new ATOM 0 HB2 PHE A 30 0.318 6.615 3.664 1.00 41.20 H new ATOM 0 HB3 PHE A 30 0.879 8.271 3.547 1.00 41.20 H new ATOM 0 HD1 PHE A 30 -0.964 5.678 1.611 1.00 4.44 H new ATOM 0 HD2 PHE A 30 -0.359 9.834 2.315 1.00 13.34 H new ATOM 0 HE1 PHE A 30 -2.866 6.199 0.147 1.00 14.42 H new ATOM 0 HE2 PHE A 30 -2.261 10.363 0.851 1.00 50.53 H new ATOM 0 HZ PHE A 30 -3.515 8.543 -0.243 1.00 1.31 H new ATOM 482 N GLY A 31 3.043 8.982 1.712 1.00 54.31 N ATOM 483 CA GLY A 31 3.451 10.099 0.876 1.00 30.11 C ATOM 484 C GLY A 31 4.360 9.678 -0.263 1.00 13.15 C ATOM 485 O GLY A 31 4.169 10.103 -1.403 1.00 12.11 O ATOM 0 H GLY A 31 3.355 9.039 2.681 1.00 54.31 H new ATOM 0 HA2 GLY A 31 2.565 10.584 0.467 1.00 30.11 H new ATOM 0 HA3 GLY A 31 3.964 10.839 1.490 1.00 30.11 H new ATOM 489 N VAL A 32 5.335 8.829 0.043 1.00 43.42 N ATOM 490 CA VAL A 32 6.282 8.358 -0.960 1.00 64.52 C ATOM 491 C VAL A 32 5.568 7.517 -2.013 1.00 45.45 C ATOM 492 O VAL A 32 5.798 7.674 -3.216 1.00 71.13 O ATOM 493 CB VAL A 32 7.419 7.528 -0.321 1.00 22.34 C ATOM 494 CG1 VAL A 32 8.439 7.103 -1.369 1.00 24.11 C ATOM 495 CG2 VAL A 32 8.087 8.313 0.796 1.00 20.13 C ATOM 0 H VAL A 32 5.490 8.453 0.978 1.00 43.42 H new ATOM 0 HA VAL A 32 6.721 9.237 -1.432 1.00 64.52 H new ATOM 0 HB VAL A 32 6.983 6.625 0.106 1.00 22.34 H new ATOM 0 HG11 VAL A 32 9.228 6.521 -0.893 1.00 24.11 H new ATOM 0 HG12 VAL A 32 7.948 6.496 -2.129 1.00 24.11 H new ATOM 0 HG13 VAL A 32 8.872 7.988 -1.835 1.00 24.11 H new ATOM 0 HG21 VAL A 32 8.885 7.714 1.235 1.00 20.13 H new ATOM 0 HG22 VAL A 32 8.505 9.235 0.393 1.00 20.13 H new ATOM 0 HG23 VAL A 32 7.350 8.554 1.563 1.00 20.13 H new ATOM 505 N LEU A 33 4.687 6.640 -1.549 1.00 64.33 N ATOM 506 CA LEU A 33 3.916 5.776 -2.435 1.00 63.04 C ATOM 507 C LEU A 33 2.989 6.623 -3.309 1.00 73.35 C ATOM 508 O LEU A 33 2.918 6.436 -4.527 1.00 20.55 O ATOM 509 CB LEU A 33 3.111 4.774 -1.590 1.00 71.41 C ATOM 510 CG LEU A 33 2.682 3.481 -2.298 1.00 53.34 C ATOM 511 CD1 LEU A 33 2.186 2.469 -1.279 1.00 34.12 C ATOM 512 CD2 LEU A 33 1.601 3.746 -3.335 1.00 4.22 C ATOM 0 H LEU A 33 4.488 6.508 -0.557 1.00 64.33 H new ATOM 0 HA LEU A 33 4.588 5.222 -3.091 1.00 63.04 H new ATOM 0 HB2 LEU A 33 3.707 4.505 -0.717 1.00 71.41 H new ATOM 0 HB3 LEU A 33 2.216 5.277 -1.223 1.00 71.41 H new ATOM 0 HG LEU A 33 3.553 3.078 -2.815 1.00 53.34 H new ATOM 0 HD11 LEU A 33 1.884 1.555 -1.791 1.00 34.12 H new ATOM 0 HD12 LEU A 33 2.985 2.242 -0.573 1.00 34.12 H new ATOM 0 HD13 LEU A 33 1.333 2.882 -0.741 1.00 34.12 H new ATOM 0 HD21 LEU A 33 1.321 2.809 -3.817 1.00 4.22 H new ATOM 0 HD22 LEU A 33 0.727 4.178 -2.847 1.00 4.22 H new ATOM 0 HD23 LEU A 33 1.979 4.441 -4.085 1.00 4.22 H new ATOM 524 N PHE A 34 2.310 7.575 -2.677 1.00 42.32 N ATOM 525 CA PHE A 34 1.402 8.483 -3.370 1.00 14.02 C ATOM 526 C PHE A 34 2.149 9.257 -4.453 1.00 70.45 C ATOM 527 O PHE A 34 1.657 9.420 -5.569 1.00 3.44 O ATOM 528 CB PHE A 34 0.773 9.448 -2.358 1.00 10.44 C ATOM 529 CG PHE A 34 -0.268 10.372 -2.931 1.00 12.33 C ATOM 530 CD1 PHE A 34 -1.555 9.920 -3.175 1.00 51.31 C ATOM 531 CD2 PHE A 34 0.037 11.696 -3.206 1.00 14.13 C ATOM 532 CE1 PHE A 34 -2.518 10.771 -3.683 1.00 23.42 C ATOM 533 CE2 PHE A 34 -0.922 12.550 -3.717 1.00 41.12 C ATOM 534 CZ PHE A 34 -2.201 12.087 -3.955 1.00 52.02 C ATOM 0 H PHE A 34 2.373 7.739 -1.672 1.00 42.32 H new ATOM 0 HA PHE A 34 0.612 7.904 -3.849 1.00 14.02 H new ATOM 0 HB2 PHE A 34 0.320 8.866 -1.555 1.00 10.44 H new ATOM 0 HB3 PHE A 34 1.564 10.048 -1.909 1.00 10.44 H new ATOM 0 HD1 PHE A 34 -1.808 8.891 -2.966 1.00 51.31 H new ATOM 0 HD2 PHE A 34 1.035 12.064 -3.019 1.00 14.13 H new ATOM 0 HE1 PHE A 34 -3.518 10.407 -3.867 1.00 23.42 H new ATOM 0 HE2 PHE A 34 -0.671 13.579 -3.930 1.00 41.12 H new ATOM 0 HZ PHE A 34 -2.952 12.753 -4.353 1.00 52.02 H new ATOM 544 N ARG A 35 3.350 9.711 -4.111 1.00 42.53 N ATOM 545 CA ARG A 35 4.197 10.456 -5.033 1.00 13.54 C ATOM 546 C ARG A 35 4.453 9.674 -6.324 1.00 32.11 C ATOM 547 O ARG A 35 4.298 10.217 -7.421 1.00 51.11 O ATOM 548 CB ARG A 35 5.519 10.829 -4.335 1.00 33.21 C ATOM 549 CG ARG A 35 6.649 11.222 -5.278 1.00 14.03 C ATOM 550 CD ARG A 35 7.640 10.081 -5.452 1.00 5.41 C ATOM 551 NE ARG A 35 8.574 10.322 -6.550 1.00 4.11 N ATOM 552 CZ ARG A 35 8.883 9.406 -7.467 1.00 55.05 C ATOM 553 NH1 ARG A 35 8.407 8.175 -7.350 1.00 20.33 N ATOM 554 NH2 ARG A 35 9.676 9.714 -8.486 1.00 44.23 N ATOM 0 H ARG A 35 3.762 9.573 -3.188 1.00 42.53 H new ATOM 0 HA ARG A 35 3.677 11.371 -5.317 1.00 13.54 H new ATOM 0 HB2 ARG A 35 5.332 11.656 -3.650 1.00 33.21 H new ATOM 0 HB3 ARG A 35 5.846 9.983 -3.731 1.00 33.21 H new ATOM 0 HG2 ARG A 35 6.237 11.501 -6.248 1.00 14.03 H new ATOM 0 HG3 ARG A 35 7.165 12.099 -4.887 1.00 14.03 H new ATOM 0 HD2 ARG A 35 8.198 9.943 -4.526 1.00 5.41 H new ATOM 0 HD3 ARG A 35 7.096 9.155 -5.637 1.00 5.41 H new ATOM 0 HE ARG A 35 9.013 11.240 -6.618 1.00 4.11 H new ATOM 0 HH11 ARG A 35 7.807 7.933 -6.561 1.00 20.33 H new ATOM 0 HH12 ARG A 35 8.640 7.470 -8.049 1.00 20.33 H new ATOM 0 HH21 ARG A 35 10.054 10.658 -8.571 1.00 44.23 H new ATOM 0 HH22 ARG A 35 9.908 9.007 -9.184 1.00 44.23 H new ATOM 568 N ASP A 36 4.833 8.407 -6.202 1.00 52.22 N ATOM 569 CA ASP A 36 5.147 7.602 -7.381 1.00 2.03 C ATOM 570 C ASP A 36 3.884 7.275 -8.166 1.00 33.44 C ATOM 571 O ASP A 36 3.852 7.412 -9.389 1.00 25.31 O ATOM 572 CB ASP A 36 5.874 6.309 -7.008 1.00 3.22 C ATOM 573 CG ASP A 36 6.468 5.623 -8.229 1.00 71.32 C ATOM 574 OD1 ASP A 36 7.604 5.977 -8.619 1.00 4.13 O ATOM 575 OD2 ASP A 36 5.805 4.744 -8.809 1.00 64.24 O ATOM 0 H ASP A 36 4.931 7.918 -5.312 1.00 52.22 H new ATOM 0 HA ASP A 36 5.812 8.198 -8.006 1.00 2.03 H new ATOM 0 HB2 ASP A 36 6.667 6.531 -6.294 1.00 3.22 H new ATOM 0 HB3 ASP A 36 5.179 5.631 -6.512 1.00 3.22 H new ATOM 580 N ASP A 37 2.835 6.877 -7.456 1.00 43.41 N ATOM 581 CA ASP A 37 1.575 6.510 -8.098 1.00 4.23 C ATOM 582 C ASP A 37 0.977 7.686 -8.865 1.00 53.03 C ATOM 583 O ASP A 37 0.321 7.508 -9.882 1.00 74.42 O ATOM 584 CB ASP A 37 0.563 5.993 -7.075 1.00 61.11 C ATOM 585 CG ASP A 37 -0.786 5.703 -7.708 1.00 53.30 C ATOM 586 OD1 ASP A 37 -0.857 4.805 -8.575 1.00 14.50 O ATOM 587 OD2 ASP A 37 -1.767 6.400 -7.364 1.00 73.03 O ATOM 0 H ASP A 37 2.830 6.800 -6.439 1.00 43.41 H new ATOM 0 HA ASP A 37 1.798 5.712 -8.806 1.00 4.23 H new ATOM 0 HB2 ASP A 37 0.948 5.085 -6.610 1.00 61.11 H new ATOM 0 HB3 ASP A 37 0.440 6.730 -6.281 1.00 61.11 H new ATOM 592 N LYS A 38 1.199 8.898 -8.383 1.00 12.54 N ATOM 593 CA LYS A 38 0.713 10.079 -9.082 1.00 73.45 C ATOM 594 C LYS A 38 1.568 10.375 -10.312 1.00 51.40 C ATOM 595 O LYS A 38 1.143 11.086 -11.218 1.00 45.15 O ATOM 596 CB LYS A 38 0.689 11.287 -8.143 1.00 73.23 C ATOM 597 CG LYS A 38 -0.376 11.192 -7.059 1.00 74.22 C ATOM 598 CD LYS A 38 -1.788 11.209 -7.635 1.00 23.43 C ATOM 599 CE LYS A 38 -2.537 9.915 -7.337 1.00 53.40 C ATOM 600 NZ LYS A 38 -2.094 8.797 -8.211 1.00 44.12 N ATOM 0 H LYS A 38 1.707 9.090 -7.520 1.00 12.54 H new ATOM 0 HA LYS A 38 -0.305 9.879 -9.416 1.00 73.45 H new ATOM 0 HB2 LYS A 38 1.667 11.391 -7.673 1.00 73.23 H new ATOM 0 HB3 LYS A 38 0.520 12.190 -8.730 1.00 73.23 H new ATOM 0 HG2 LYS A 38 -0.230 10.275 -6.488 1.00 74.22 H new ATOM 0 HG3 LYS A 38 -0.259 12.023 -6.364 1.00 74.22 H new ATOM 0 HD2 LYS A 38 -2.340 12.052 -7.220 1.00 23.43 H new ATOM 0 HD3 LYS A 38 -1.739 11.360 -8.713 1.00 23.43 H new ATOM 0 HE2 LYS A 38 -2.384 9.641 -6.293 1.00 53.40 H new ATOM 0 HE3 LYS A 38 -3.607 10.077 -7.471 1.00 53.40 H new ATOM 0 HZ1 LYS A 38 -2.593 7.926 -7.940 1.00 44.12 H new ATOM 0 HZ2 LYS A 38 -2.310 9.025 -9.203 1.00 44.12 H new ATOM 0 HZ3 LYS A 38 -1.069 8.657 -8.103 1.00 44.12 H new ATOM 614 N SER A 39 2.771 9.820 -10.335 1.00 74.41 N ATOM 615 CA SER A 39 3.679 10.011 -11.455 1.00 11.35 C ATOM 616 C SER A 39 3.454 8.951 -12.536 1.00 4.31 C ATOM 617 O SER A 39 3.369 9.265 -13.722 1.00 73.44 O ATOM 618 CB SER A 39 5.125 9.962 -10.959 1.00 61.25 C ATOM 619 OG SER A 39 5.320 10.862 -9.881 1.00 21.53 O ATOM 0 H SER A 39 3.141 9.232 -9.588 1.00 74.41 H new ATOM 0 HA SER A 39 3.480 10.987 -11.898 1.00 11.35 H new ATOM 0 HB2 SER A 39 5.371 8.949 -10.641 1.00 61.25 H new ATOM 0 HB3 SER A 39 5.803 10.213 -11.775 1.00 61.25 H new ATOM 0 HG SER A 39 4.887 10.508 -9.077 1.00 21.53 H new ATOM 625 N ALA A 40 3.357 7.693 -12.116 1.00 23.34 N ATOM 626 CA ALA A 40 3.246 6.574 -13.048 1.00 53.32 C ATOM 627 C ALA A 40 1.797 6.151 -13.268 1.00 73.04 C ATOM 628 O ALA A 40 1.472 5.540 -14.287 1.00 1.23 O ATOM 629 CB ALA A 40 4.055 5.390 -12.539 1.00 3.03 C ATOM 0 H ALA A 40 3.353 7.422 -11.133 1.00 23.34 H new ATOM 0 HA ALA A 40 3.642 6.909 -14.007 1.00 53.32 H new ATOM 0 HB1 ALA A 40 3.966 4.560 -13.240 1.00 3.03 H new ATOM 0 HB2 ALA A 40 5.102 5.677 -12.448 1.00 3.03 H new ATOM 0 HB3 ALA A 40 3.677 5.083 -11.564 1.00 3.03 H new ATOM 635 N ASN A 41 0.936 6.497 -12.316 1.00 51.40 N ATOM 636 CA ASN A 41 -0.444 6.004 -12.280 1.00 1.01 C ATOM 637 C ASN A 41 -0.440 4.484 -12.266 1.00 43.50 C ATOM 638 O ASN A 41 -0.806 3.830 -13.242 1.00 43.14 O ATOM 639 CB ASN A 41 -1.279 6.537 -13.454 1.00 54.35 C ATOM 640 CG ASN A 41 -2.750 6.152 -13.358 1.00 24.41 C ATOM 641 OD1 ASN A 41 -3.263 6.029 -12.141 1.00 62.24 O flip ATOM 642 ND2 ASN A 41 -3.425 5.979 -14.374 1.00 71.53 N flip ATOM 0 H ASN A 41 1.171 7.125 -11.548 1.00 51.40 H new ATOM 0 HA ASN A 41 -0.912 6.374 -11.368 1.00 1.01 H new ATOM 0 HB2 ASN A 41 -1.194 7.623 -13.490 1.00 54.35 H new ATOM 0 HB3 ASN A 41 -0.869 6.154 -14.388 1.00 54.35 H new ATOM 0 HD21 ASN A 41 -2.997 6.082 -15.294 1.00 71.53 H new ATOM 0 HD22 ASN A 41 -4.412 5.733 -14.295 1.00 71.53 H new ATOM 649 N LEU A 42 0.025 3.935 -11.158 1.00 13.43 N ATOM 650 CA LEU A 42 0.173 2.498 -11.013 1.00 40.41 C ATOM 651 C LEU A 42 -1.155 1.861 -10.647 1.00 74.54 C ATOM 652 O LEU A 42 -1.573 0.869 -11.247 1.00 41.50 O ATOM 653 CB LEU A 42 1.210 2.189 -9.933 1.00 45.01 C ATOM 654 CG LEU A 42 2.610 2.749 -10.193 1.00 25.50 C ATOM 655 CD1 LEU A 42 3.511 2.500 -8.995 1.00 2.42 C ATOM 656 CD2 LEU A 42 3.208 2.130 -11.446 1.00 74.23 C ATOM 0 H LEU A 42 0.309 4.470 -10.337 1.00 13.43 H new ATOM 0 HA LEU A 42 0.508 2.085 -11.964 1.00 40.41 H new ATOM 0 HB2 LEU A 42 0.850 2.583 -8.983 1.00 45.01 H new ATOM 0 HB3 LEU A 42 1.284 1.107 -9.822 1.00 45.01 H new ATOM 0 HG LEU A 42 2.528 3.825 -10.347 1.00 25.50 H new ATOM 0 HD11 LEU A 42 4.503 2.904 -9.196 1.00 2.42 H new ATOM 0 HD12 LEU A 42 3.091 2.989 -8.116 1.00 2.42 H new ATOM 0 HD13 LEU A 42 3.586 1.428 -8.813 1.00 2.42 H new ATOM 0 HD21 LEU A 42 4.204 2.540 -11.615 1.00 74.23 H new ATOM 0 HD22 LEU A 42 3.277 1.049 -11.321 1.00 74.23 H new ATOM 0 HD23 LEU A 42 2.572 2.356 -12.302 1.00 74.23 H new ATOM 668 N PHE A 43 -1.816 2.444 -9.661 1.00 61.30 N ATOM 669 CA PHE A 43 -3.059 1.901 -9.155 1.00 33.23 C ATOM 670 C PHE A 43 -4.243 2.622 -9.773 1.00 5.13 C ATOM 671 O PHE A 43 -4.367 3.844 -9.665 1.00 4.30 O ATOM 672 CB PHE A 43 -3.106 2.021 -7.632 1.00 51.23 C ATOM 673 CG PHE A 43 -1.925 1.396 -6.946 1.00 72.31 C ATOM 674 CD1 PHE A 43 -1.819 0.021 -6.844 1.00 41.34 C ATOM 675 CD2 PHE A 43 -0.924 2.184 -6.403 1.00 45.42 C ATOM 676 CE1 PHE A 43 -0.736 -0.558 -6.215 1.00 63.31 C ATOM 677 CE2 PHE A 43 0.161 1.611 -5.772 1.00 55.42 C ATOM 678 CZ PHE A 43 0.255 0.237 -5.678 1.00 3.35 C ATOM 0 H PHE A 43 -1.508 3.298 -9.195 1.00 61.30 H new ATOM 0 HA PHE A 43 -3.113 0.847 -9.427 1.00 33.23 H new ATOM 0 HB2 PHE A 43 -3.158 3.075 -7.360 1.00 51.23 H new ATOM 0 HB3 PHE A 43 -4.019 1.551 -7.266 1.00 51.23 H new ATOM 0 HD1 PHE A 43 -2.593 -0.607 -7.261 1.00 41.34 H new ATOM 0 HD2 PHE A 43 -0.993 3.259 -6.474 1.00 45.42 H new ATOM 0 HE1 PHE A 43 -0.664 -1.633 -6.143 1.00 63.31 H new ATOM 0 HE2 PHE A 43 0.935 2.236 -5.352 1.00 55.42 H new ATOM 0 HZ PHE A 43 1.103 -0.215 -5.185 1.00 3.35 H new ATOM 688 N GLU A 44 -5.107 1.865 -10.434 1.00 20.30 N ATOM 689 CA GLU A 44 -6.309 2.433 -11.019 1.00 60.20 C ATOM 690 C GLU A 44 -7.272 2.815 -9.905 1.00 74.32 C ATOM 691 O GLU A 44 -8.007 3.799 -10.003 1.00 4.05 O ATOM 692 CB GLU A 44 -6.954 1.447 -11.991 1.00 41.22 C ATOM 693 CG GLU A 44 -8.139 2.022 -12.742 1.00 25.43 C ATOM 694 CD GLU A 44 -8.619 1.109 -13.844 1.00 23.42 C ATOM 695 OE1 GLU A 44 -9.058 -0.017 -13.537 1.00 72.02 O ATOM 696 OE2 GLU A 44 -8.561 1.511 -15.022 1.00 51.34 O ATOM 0 H GLU A 44 -4.998 0.861 -10.577 1.00 20.30 H new ATOM 0 HA GLU A 44 -6.050 3.327 -11.586 1.00 60.20 H new ATOM 0 HB2 GLU A 44 -6.205 1.116 -12.710 1.00 41.22 H new ATOM 0 HB3 GLU A 44 -7.278 0.565 -11.439 1.00 41.22 H new ATOM 0 HG2 GLU A 44 -8.955 2.204 -12.043 1.00 25.43 H new ATOM 0 HG3 GLU A 44 -7.863 2.987 -13.167 1.00 25.43 H new ATOM 703 N ALA A 45 -7.248 2.030 -8.841 1.00 21.42 N ATOM 704 CA ALA A 45 -7.995 2.349 -7.640 1.00 64.23 C ATOM 705 C ALA A 45 -7.053 2.378 -6.442 1.00 11.21 C ATOM 706 O ALA A 45 -6.909 1.387 -5.728 1.00 64.15 O ATOM 707 CB ALA A 45 -9.123 1.348 -7.420 1.00 1.23 C ATOM 0 H ALA A 45 -6.715 1.162 -8.787 1.00 21.42 H new ATOM 0 HA ALA A 45 -8.446 3.334 -7.757 1.00 64.23 H new ATOM 0 HB1 ALA A 45 -9.669 1.608 -6.513 1.00 1.23 H new ATOM 0 HB2 ALA A 45 -9.802 1.372 -8.272 1.00 1.23 H new ATOM 0 HB3 ALA A 45 -8.706 0.346 -7.317 1.00 1.23 H new ATOM 713 N LEU A 46 -6.404 3.518 -6.240 1.00 10.55 N ATOM 714 CA LEU A 46 -5.384 3.657 -5.203 1.00 3.33 C ATOM 715 C LEU A 46 -5.950 3.365 -3.817 1.00 21.21 C ATOM 716 O LEU A 46 -5.464 2.475 -3.115 1.00 61.12 O ATOM 717 CB LEU A 46 -4.779 5.063 -5.232 1.00 64.30 C ATOM 718 CG LEU A 46 -3.745 5.352 -4.138 1.00 5.42 C ATOM 719 CD1 LEU A 46 -2.565 4.400 -4.248 1.00 54.33 C ATOM 720 CD2 LEU A 46 -3.275 6.794 -4.220 1.00 5.12 C ATOM 0 H LEU A 46 -6.566 4.366 -6.783 1.00 10.55 H new ATOM 0 HA LEU A 46 -4.604 2.925 -5.411 1.00 3.33 H new ATOM 0 HB2 LEU A 46 -4.310 5.219 -6.203 1.00 64.30 H new ATOM 0 HB3 LEU A 46 -5.586 5.790 -5.148 1.00 64.30 H new ATOM 0 HG LEU A 46 -4.219 5.197 -3.169 1.00 5.42 H new ATOM 0 HD11 LEU A 46 -1.843 4.623 -3.462 1.00 54.33 H new ATOM 0 HD12 LEU A 46 -2.914 3.373 -4.139 1.00 54.33 H new ATOM 0 HD13 LEU A 46 -2.090 4.520 -5.222 1.00 54.33 H new ATOM 0 HD21 LEU A 46 -2.541 6.983 -3.436 1.00 5.12 H new ATOM 0 HD22 LEU A 46 -2.820 6.974 -5.194 1.00 5.12 H new ATOM 0 HD23 LEU A 46 -4.126 7.462 -4.089 1.00 5.12 H new ATOM 732 N VAL A 47 -6.990 4.097 -3.432 1.00 32.20 N ATOM 733 CA VAL A 47 -7.570 3.931 -2.106 1.00 22.04 C ATOM 734 C VAL A 47 -8.250 2.574 -1.985 1.00 54.51 C ATOM 735 O VAL A 47 -8.232 1.959 -0.923 1.00 21.21 O ATOM 736 CB VAL A 47 -8.568 5.059 -1.746 1.00 53.45 C ATOM 737 CG1 VAL A 47 -7.894 6.418 -1.849 1.00 75.42 C ATOM 738 CG2 VAL A 47 -9.819 5.005 -2.614 1.00 32.32 C ATOM 0 H VAL A 47 -7.444 4.803 -4.012 1.00 32.20 H new ATOM 0 HA VAL A 47 -6.746 3.989 -1.395 1.00 22.04 H new ATOM 0 HB VAL A 47 -8.884 4.905 -0.714 1.00 53.45 H new ATOM 0 HG11 VAL A 47 -8.609 7.199 -1.593 1.00 75.42 H new ATOM 0 HG12 VAL A 47 -7.050 6.459 -1.160 1.00 75.42 H new ATOM 0 HG13 VAL A 47 -7.539 6.572 -2.868 1.00 75.42 H new ATOM 0 HG21 VAL A 47 -10.494 5.813 -2.330 1.00 32.32 H new ATOM 0 HG22 VAL A 47 -9.540 5.117 -3.662 1.00 32.32 H new ATOM 0 HG23 VAL A 47 -10.319 4.047 -2.472 1.00 32.32 H new ATOM 748 N GLY A 48 -8.823 2.100 -3.088 1.00 74.44 N ATOM 749 CA GLY A 48 -9.473 0.804 -3.084 1.00 41.41 C ATOM 750 C GLY A 48 -8.493 -0.312 -2.812 1.00 15.13 C ATOM 751 O GLY A 48 -8.791 -1.239 -2.063 1.00 65.34 O ATOM 0 H GLY A 48 -8.848 2.590 -3.982 1.00 74.44 H new ATOM 0 HA2 GLY A 48 -10.257 0.792 -2.327 1.00 41.41 H new ATOM 0 HA3 GLY A 48 -9.957 0.637 -4.046 1.00 41.41 H new ATOM 755 N THR A 49 -7.314 -0.210 -3.412 1.00 74.22 N ATOM 756 CA THR A 49 -6.244 -1.170 -3.189 1.00 30.20 C ATOM 757 C THR A 49 -5.854 -1.206 -1.708 1.00 34.53 C ATOM 758 O THR A 49 -5.678 -2.278 -1.125 1.00 21.20 O ATOM 759 CB THR A 49 -5.016 -0.814 -4.052 1.00 73.35 C ATOM 760 OG1 THR A 49 -5.393 -0.751 -5.432 1.00 41.05 O ATOM 761 CG2 THR A 49 -3.903 -1.834 -3.884 1.00 53.22 C ATOM 0 H THR A 49 -7.074 0.537 -4.064 1.00 74.22 H new ATOM 0 HA THR A 49 -6.603 -2.158 -3.478 1.00 30.20 H new ATOM 0 HB THR A 49 -4.647 0.156 -3.720 1.00 73.35 H new ATOM 0 HG1 THR A 49 -5.961 0.034 -5.580 1.00 41.05 H new ATOM 0 HG21 THR A 49 -3.054 -1.552 -4.506 1.00 53.22 H new ATOM 0 HG22 THR A 49 -3.593 -1.865 -2.840 1.00 53.22 H new ATOM 0 HG23 THR A 49 -4.263 -2.818 -4.185 1.00 53.22 H new ATOM 769 N LEU A 50 -5.752 -0.027 -1.100 1.00 40.13 N ATOM 770 CA LEU A 50 -5.406 0.085 0.316 1.00 15.04 C ATOM 771 C LEU A 50 -6.500 -0.523 1.190 1.00 40.40 C ATOM 772 O LEU A 50 -6.227 -1.343 2.068 1.00 11.45 O ATOM 773 CB LEU A 50 -5.190 1.552 0.698 1.00 41.23 C ATOM 774 CG LEU A 50 -4.022 2.243 -0.007 1.00 30.13 C ATOM 775 CD1 LEU A 50 -3.970 3.713 0.373 1.00 4.11 C ATOM 776 CD2 LEU A 50 -2.708 1.558 0.339 1.00 60.03 C ATOM 0 H LEU A 50 -5.904 0.867 -1.567 1.00 40.13 H new ATOM 0 HA LEU A 50 -4.480 -0.466 0.483 1.00 15.04 H new ATOM 0 HB2 LEU A 50 -6.103 2.106 0.481 1.00 41.23 H new ATOM 0 HB3 LEU A 50 -5.030 1.611 1.775 1.00 41.23 H new ATOM 0 HG LEU A 50 -4.176 2.168 -1.083 1.00 30.13 H new ATOM 0 HD11 LEU A 50 -3.134 4.191 -0.137 1.00 4.11 H new ATOM 0 HD12 LEU A 50 -4.900 4.198 0.078 1.00 4.11 H new ATOM 0 HD13 LEU A 50 -3.839 3.806 1.451 1.00 4.11 H new ATOM 0 HD21 LEU A 50 -1.889 2.064 -0.172 1.00 60.03 H new ATOM 0 HD22 LEU A 50 -2.547 1.603 1.416 1.00 60.03 H new ATOM 0 HD23 LEU A 50 -2.746 0.516 0.021 1.00 60.03 H new ATOM 788 N LYS A 51 -7.740 -0.120 0.934 1.00 1.30 N ATOM 789 CA LYS A 51 -8.890 -0.615 1.686 1.00 64.42 C ATOM 790 C LYS A 51 -9.030 -2.129 1.527 1.00 33.43 C ATOM 791 O LYS A 51 -9.398 -2.834 2.470 1.00 35.51 O ATOM 792 CB LYS A 51 -10.165 0.085 1.203 1.00 52.54 C ATOM 793 CG LYS A 51 -10.115 1.599 1.339 1.00 33.21 C ATOM 794 CD LYS A 51 -10.575 2.074 2.705 1.00 22.12 C ATOM 795 CE LYS A 51 -12.092 2.030 2.828 1.00 53.52 C ATOM 796 NZ LYS A 51 -12.568 2.581 4.125 1.00 74.43 N ATOM 0 H LYS A 51 -7.976 0.554 0.206 1.00 1.30 H new ATOM 0 HA LYS A 51 -8.736 -0.395 2.742 1.00 64.42 H new ATOM 0 HB2 LYS A 51 -10.338 -0.172 0.158 1.00 52.54 H new ATOM 0 HB3 LYS A 51 -11.015 -0.295 1.769 1.00 52.54 H new ATOM 0 HG2 LYS A 51 -9.096 1.943 1.162 1.00 33.21 H new ATOM 0 HG3 LYS A 51 -10.742 2.051 0.570 1.00 33.21 H new ATOM 0 HD2 LYS A 51 -10.128 1.450 3.478 1.00 22.12 H new ATOM 0 HD3 LYS A 51 -10.224 3.092 2.875 1.00 22.12 H new ATOM 0 HE2 LYS A 51 -12.537 2.596 2.010 1.00 53.52 H new ATOM 0 HE3 LYS A 51 -12.433 1.000 2.726 1.00 53.52 H new ATOM 0 HZ1 LYS A 51 -13.606 2.530 4.164 1.00 74.43 H new ATOM 0 HZ2 LYS A 51 -12.165 2.026 4.907 1.00 74.43 H new ATOM 0 HZ3 LYS A 51 -12.266 3.572 4.213 1.00 74.43 H new ATOM 810 N ALA A 52 -8.728 -2.621 0.330 1.00 34.15 N ATOM 811 CA ALA A 52 -8.793 -4.048 0.042 1.00 43.44 C ATOM 812 C ALA A 52 -7.752 -4.816 0.842 1.00 24.02 C ATOM 813 O ALA A 52 -8.077 -5.742 1.580 1.00 52.32 O ATOM 814 CB ALA A 52 -8.573 -4.294 -1.443 1.00 34.15 C ATOM 0 H ALA A 52 -8.434 -2.047 -0.461 1.00 34.15 H new ATOM 0 HA ALA A 52 -9.783 -4.402 0.328 1.00 43.44 H new ATOM 0 HB1 ALA A 52 -8.624 -5.364 -1.646 1.00 34.15 H new ATOM 0 HB2 ALA A 52 -9.345 -3.779 -2.015 1.00 34.15 H new ATOM 0 HB3 ALA A 52 -7.593 -3.916 -1.733 1.00 34.15 H new ATOM 820 N ALA A 53 -6.502 -4.398 0.710 1.00 34.53 N ATOM 821 CA ALA A 53 -5.391 -5.104 1.322 1.00 13.51 C ATOM 822 C ALA A 53 -5.424 -5.005 2.840 1.00 75.44 C ATOM 823 O ALA A 53 -5.058 -5.953 3.526 1.00 45.21 O ATOM 824 CB ALA A 53 -4.073 -4.576 0.787 1.00 61.51 C ATOM 0 H ALA A 53 -6.233 -3.568 0.181 1.00 34.53 H new ATOM 0 HA ALA A 53 -5.487 -6.158 1.060 1.00 13.51 H new ATOM 0 HB1 ALA A 53 -3.249 -5.114 1.255 1.00 61.51 H new ATOM 0 HB2 ALA A 53 -4.035 -4.720 -0.293 1.00 61.51 H new ATOM 0 HB3 ALA A 53 -3.988 -3.513 1.014 1.00 61.51 H new ATOM 830 N LYS A 54 -5.864 -3.868 3.364 1.00 34.40 N ATOM 831 CA LYS A 54 -5.940 -3.687 4.808 1.00 12.42 C ATOM 832 C LYS A 54 -6.958 -4.649 5.412 1.00 14.22 C ATOM 833 O LYS A 54 -6.692 -5.294 6.424 1.00 60.22 O ATOM 834 CB LYS A 54 -6.311 -2.248 5.169 1.00 3.41 C ATOM 835 CG LYS A 54 -6.317 -1.995 6.667 1.00 15.43 C ATOM 836 CD LYS A 54 -6.905 -0.638 7.008 1.00 21.23 C ATOM 837 CE LYS A 54 -7.012 -0.448 8.513 1.00 20.42 C ATOM 838 NZ LYS A 54 -7.755 0.790 8.866 1.00 13.44 N ATOM 0 H LYS A 54 -6.171 -3.064 2.817 1.00 34.40 H new ATOM 0 HA LYS A 54 -4.954 -3.901 5.220 1.00 12.42 H new ATOM 0 HB2 LYS A 54 -5.605 -1.567 4.694 1.00 3.41 H new ATOM 0 HB3 LYS A 54 -7.297 -2.020 4.764 1.00 3.41 H new ATOM 0 HG2 LYS A 54 -6.892 -2.776 7.165 1.00 15.43 H new ATOM 0 HG3 LYS A 54 -5.298 -2.056 7.050 1.00 15.43 H new ATOM 0 HD2 LYS A 54 -6.282 0.149 6.583 1.00 21.23 H new ATOM 0 HD3 LYS A 54 -7.892 -0.542 6.556 1.00 21.23 H new ATOM 0 HE2 LYS A 54 -7.514 -1.310 8.953 1.00 20.42 H new ATOM 0 HE3 LYS A 54 -6.012 -0.407 8.945 1.00 20.42 H new ATOM 0 HZ1 LYS A 54 -7.805 0.882 9.901 1.00 13.44 H new ATOM 0 HZ2 LYS A 54 -7.263 1.616 8.469 1.00 13.44 H new ATOM 0 HZ3 LYS A 54 -8.718 0.740 8.476 1.00 13.44 H new ATOM 852 N ARG A 55 -8.116 -4.757 4.776 1.00 63.24 N ATOM 853 CA ARG A 55 -9.169 -5.641 5.266 1.00 60.04 C ATOM 854 C ARG A 55 -8.795 -7.102 5.049 1.00 51.42 C ATOM 855 O ARG A 55 -9.265 -7.990 5.761 1.00 23.13 O ATOM 856 CB ARG A 55 -10.496 -5.318 4.588 1.00 43.04 C ATOM 857 CG ARG A 55 -11.078 -3.986 5.024 1.00 54.53 C ATOM 858 CD ARG A 55 -12.375 -3.689 4.301 1.00 54.30 C ATOM 859 NE ARG A 55 -12.170 -3.535 2.862 1.00 31.13 N ATOM 860 CZ ARG A 55 -13.155 -3.497 1.964 1.00 24.42 C ATOM 861 NH1 ARG A 55 -14.420 -3.625 2.348 1.00 23.22 N ATOM 862 NH2 ARG A 55 -12.873 -3.336 0.677 1.00 20.13 N ATOM 0 H ARG A 55 -8.351 -4.248 3.924 1.00 63.24 H new ATOM 0 HA ARG A 55 -9.281 -5.477 6.338 1.00 60.04 H new ATOM 0 HB2 ARG A 55 -10.352 -5.309 3.508 1.00 43.04 H new ATOM 0 HB3 ARG A 55 -11.212 -6.110 4.808 1.00 43.04 H new ATOM 0 HG2 ARG A 55 -11.253 -3.998 6.100 1.00 54.53 H new ATOM 0 HG3 ARG A 55 -10.359 -3.191 4.827 1.00 54.53 H new ATOM 0 HD2 ARG A 55 -13.086 -4.495 4.483 1.00 54.30 H new ATOM 0 HD3 ARG A 55 -12.816 -2.778 4.705 1.00 54.30 H new ATOM 0 HE ARG A 55 -11.212 -3.451 2.523 1.00 31.13 H new ATOM 0 HH11 ARG A 55 -14.643 -3.753 3.335 1.00 23.22 H new ATOM 0 HH12 ARG A 55 -15.169 -3.595 1.656 1.00 23.22 H new ATOM 0 HH21 ARG A 55 -11.903 -3.241 0.375 1.00 20.13 H new ATOM 0 HH22 ARG A 55 -13.626 -3.307 -0.010 1.00 20.13 H new ATOM 876 N ARG A 56 -7.924 -7.345 4.076 1.00 62.10 N ATOM 877 CA ARG A 56 -7.430 -8.691 3.811 1.00 1.10 C ATOM 878 C ARG A 56 -6.256 -9.027 4.717 1.00 31.52 C ATOM 879 O ARG A 56 -5.724 -10.135 4.661 1.00 33.23 O ATOM 880 CB ARG A 56 -6.968 -8.838 2.369 1.00 64.04 C ATOM 881 CG ARG A 56 -8.074 -8.871 1.335 1.00 12.31 C ATOM 882 CD ARG A 56 -7.497 -9.263 -0.011 1.00 11.01 C ATOM 883 NE ARG A 56 -8.498 -9.279 -1.078 1.00 44.00 N ATOM 884 CZ ARG A 56 -8.450 -10.098 -2.127 1.00 55.24 C ATOM 885 NH1 ARG A 56 -7.495 -11.014 -2.213 1.00 64.42 N ATOM 886 NH2 ARG A 56 -9.359 -10.015 -3.088 1.00 15.00 N ATOM 0 H ARG A 56 -7.545 -6.627 3.458 1.00 62.10 H new ATOM 0 HA ARG A 56 -8.259 -9.372 4.003 1.00 1.10 H new ATOM 0 HB2 ARG A 56 -6.298 -8.011 2.134 1.00 64.04 H new ATOM 0 HB3 ARG A 56 -6.385 -9.755 2.283 1.00 64.04 H new ATOM 0 HG2 ARG A 56 -8.844 -9.582 1.633 1.00 12.31 H new ATOM 0 HG3 ARG A 56 -8.552 -7.894 1.267 1.00 12.31 H new ATOM 0 HD2 ARG A 56 -6.702 -8.566 -0.276 1.00 11.01 H new ATOM 0 HD3 ARG A 56 -7.042 -10.250 0.068 1.00 11.01 H new ATOM 0 HE ARG A 56 -9.278 -8.625 -1.015 1.00 44.00 H new ATOM 0 HH11 ARG A 56 -6.795 -11.092 -1.475 1.00 64.42 H new ATOM 0 HH12 ARG A 56 -7.460 -11.640 -3.017 1.00 64.42 H new ATOM 0 HH21 ARG A 56 -10.103 -9.320 -3.028 1.00 15.00 H new ATOM 0 HH22 ARG A 56 -9.315 -10.646 -3.888 1.00 15.00 H new ATOM 900 N LYS A 57 -5.866 -8.065 5.547 1.00 45.34 N ATOM 901 CA LYS A 57 -4.690 -8.181 6.398 1.00 51.43 C ATOM 902 C LYS A 57 -3.432 -8.438 5.569 1.00 23.15 C ATOM 903 O LYS A 57 -2.477 -9.061 6.031 1.00 41.12 O ATOM 904 CB LYS A 57 -4.911 -9.274 7.437 1.00 44.00 C ATOM 905 CG LYS A 57 -6.121 -9.001 8.312 1.00 44.24 C ATOM 906 CD LYS A 57 -6.435 -10.180 9.200 1.00 74.21 C ATOM 907 CE LYS A 57 -7.653 -9.920 10.075 1.00 62.22 C ATOM 908 NZ LYS A 57 -8.900 -9.813 9.273 1.00 60.12 N ATOM 0 H LYS A 57 -6.361 -7.179 5.648 1.00 45.34 H new ATOM 0 HA LYS A 57 -4.538 -7.236 6.920 1.00 51.43 H new ATOM 0 HB2 LYS A 57 -5.039 -10.232 6.932 1.00 44.00 H new ATOM 0 HB3 LYS A 57 -4.024 -9.361 8.064 1.00 44.00 H new ATOM 0 HG2 LYS A 57 -5.936 -8.120 8.926 1.00 44.24 H new ATOM 0 HG3 LYS A 57 -6.983 -8.777 7.684 1.00 44.24 H new ATOM 0 HD2 LYS A 57 -6.611 -11.062 8.584 1.00 74.21 H new ATOM 0 HD3 LYS A 57 -5.574 -10.399 9.831 1.00 74.21 H new ATOM 0 HE2 LYS A 57 -7.757 -10.726 10.801 1.00 62.22 H new ATOM 0 HE3 LYS A 57 -7.504 -8.999 10.639 1.00 62.22 H new ATOM 0 HZ1 LYS A 57 -9.723 -9.806 9.909 1.00 60.12 H new ATOM 0 HZ2 LYS A 57 -8.883 -8.932 8.720 1.00 60.12 H new ATOM 0 HZ3 LYS A 57 -8.969 -10.626 8.628 1.00 60.12 H new ATOM 922 N ILE A 58 -3.446 -7.942 4.335 1.00 0.54 N ATOM 923 CA ILE A 58 -2.267 -7.966 3.482 1.00 2.13 C ATOM 924 C ILE A 58 -1.310 -6.902 3.976 1.00 12.32 C ATOM 925 O ILE A 58 -0.107 -7.123 4.093 1.00 21.43 O ATOM 926 CB ILE A 58 -2.607 -7.669 2.002 1.00 41.10 C ATOM 927 CG1 ILE A 58 -3.718 -8.591 1.490 1.00 13.33 C ATOM 928 CG2 ILE A 58 -1.362 -7.803 1.135 1.00 41.31 C ATOM 929 CD1 ILE A 58 -3.348 -10.056 1.467 1.00 34.45 C ATOM 0 H ILE A 58 -4.267 -7.517 3.904 1.00 0.54 H new ATOM 0 HA ILE A 58 -1.831 -8.964 3.530 1.00 2.13 H new ATOM 0 HB ILE A 58 -2.970 -6.643 1.940 1.00 41.10 H new ATOM 0 HG12 ILE A 58 -4.600 -8.461 2.117 1.00 13.33 H new ATOM 0 HG13 ILE A 58 -3.995 -8.282 0.482 1.00 13.33 H new ATOM 0 HG21 ILE A 58 -1.617 -7.591 0.097 1.00 41.31 H new ATOM 0 HG22 ILE A 58 -0.605 -7.096 1.474 1.00 41.31 H new ATOM 0 HG23 ILE A 58 -0.972 -8.818 1.213 1.00 41.31 H new ATOM 0 HD11 ILE A 58 -4.190 -10.638 1.092 1.00 34.45 H new ATOM 0 HD12 ILE A 58 -2.486 -10.203 0.816 1.00 34.45 H new ATOM 0 HD13 ILE A 58 -3.101 -10.385 2.476 1.00 34.45 H new ATOM 941 N VAL A 59 -1.885 -5.748 4.275 1.00 74.35 N ATOM 942 CA VAL A 59 -1.151 -4.613 4.807 1.00 3.35 C ATOM 943 C VAL A 59 -1.960 -3.982 5.931 1.00 44.43 C ATOM 944 O VAL A 59 -3.144 -4.278 6.088 1.00 21.25 O ATOM 945 CB VAL A 59 -0.879 -3.537 3.728 1.00 14.21 C ATOM 946 CG1 VAL A 59 -0.088 -4.112 2.567 1.00 61.14 C ATOM 947 CG2 VAL A 59 -2.180 -2.925 3.231 1.00 35.42 C ATOM 0 H VAL A 59 -2.882 -5.572 4.154 1.00 74.35 H new ATOM 0 HA VAL A 59 -0.190 -4.979 5.169 1.00 3.35 H new ATOM 0 HB VAL A 59 -0.282 -2.751 4.190 1.00 14.21 H new ATOM 0 HG11 VAL A 59 0.088 -3.333 1.825 1.00 61.14 H new ATOM 0 HG12 VAL A 59 0.868 -4.490 2.930 1.00 61.14 H new ATOM 0 HG13 VAL A 59 -0.651 -4.927 2.111 1.00 61.14 H new ATOM 0 HG21 VAL A 59 -1.962 -2.172 2.474 1.00 35.42 H new ATOM 0 HG22 VAL A 59 -2.807 -3.705 2.798 1.00 35.42 H new ATOM 0 HG23 VAL A 59 -2.705 -2.459 4.065 1.00 35.42 H new ATOM 957 N THR A 60 -1.332 -3.120 6.708 1.00 14.24 N ATOM 958 CA THR A 60 -2.034 -2.403 7.749 1.00 10.40 C ATOM 959 C THR A 60 -1.472 -0.993 7.889 1.00 22.23 C ATOM 960 O THR A 60 -0.292 -0.751 7.617 1.00 64.30 O ATOM 961 CB THR A 60 -1.952 -3.149 9.102 1.00 13.41 C ATOM 962 OG1 THR A 60 -2.882 -2.588 10.038 1.00 63.13 O ATOM 963 CG2 THR A 60 -0.544 -3.093 9.687 1.00 42.11 C ATOM 0 H THR A 60 -0.338 -2.901 6.636 1.00 14.24 H new ATOM 0 HA THR A 60 -3.084 -2.342 7.464 1.00 10.40 H new ATOM 0 HB THR A 60 -2.206 -4.193 8.916 1.00 13.41 H new ATOM 0 HG1 THR A 60 -2.821 -3.070 10.889 1.00 63.13 H new ATOM 0 HG21 THR A 60 -0.523 -3.627 10.637 1.00 42.11 H new ATOM 0 HG22 THR A 60 0.157 -3.558 8.994 1.00 42.11 H new ATOM 0 HG23 THR A 60 -0.258 -2.054 9.849 1.00 42.11 H new ATOM 971 N TYR A 61 -2.333 -0.071 8.281 1.00 11.21 N ATOM 972 CA TYR A 61 -1.953 1.312 8.498 1.00 53.33 C ATOM 973 C TYR A 61 -2.963 1.966 9.429 1.00 42.34 C ATOM 974 O TYR A 61 -4.151 1.631 9.387 1.00 63.41 O ATOM 975 CB TYR A 61 -1.862 2.081 7.166 1.00 2.13 C ATOM 976 CG TYR A 61 -3.123 2.038 6.322 1.00 31.11 C ATOM 977 CD1 TYR A 61 -3.344 1.000 5.424 1.00 73.25 C ATOM 978 CD2 TYR A 61 -4.086 3.038 6.417 1.00 41.40 C ATOM 979 CE1 TYR A 61 -4.486 0.958 4.648 1.00 74.34 C ATOM 980 CE2 TYR A 61 -5.231 3.001 5.644 1.00 3.24 C ATOM 981 CZ TYR A 61 -5.426 1.958 4.762 1.00 72.41 C ATOM 982 OH TYR A 61 -6.567 1.913 3.993 1.00 44.12 O ATOM 0 H TYR A 61 -3.319 -0.262 8.458 1.00 11.21 H new ATOM 0 HA TYR A 61 -0.965 1.340 8.957 1.00 53.33 H new ATOM 0 HB2 TYR A 61 -1.619 3.122 7.379 1.00 2.13 H new ATOM 0 HB3 TYR A 61 -1.036 1.674 6.582 1.00 2.13 H new ATOM 0 HD1 TYR A 61 -2.610 0.213 5.332 1.00 73.25 H new ATOM 0 HD2 TYR A 61 -3.936 3.856 7.106 1.00 41.40 H new ATOM 0 HE1 TYR A 61 -4.641 0.144 3.955 1.00 74.34 H new ATOM 0 HE2 TYR A 61 -5.969 3.784 5.730 1.00 3.24 H new ATOM 0 HH TYR A 61 -7.128 2.691 4.194 1.00 44.12 H new ATOM 992 N PRO A 62 -2.505 2.867 10.305 1.00 3.24 N ATOM 993 CA PRO A 62 -3.387 3.586 11.224 1.00 64.44 C ATOM 994 C PRO A 62 -4.396 4.442 10.472 1.00 43.15 C ATOM 995 O PRO A 62 -4.064 5.077 9.464 1.00 13.43 O ATOM 996 CB PRO A 62 -2.429 4.463 12.041 1.00 0.21 C ATOM 997 CG PRO A 62 -1.085 3.846 11.858 1.00 32.21 C ATOM 998 CD PRO A 62 -1.098 3.249 10.481 1.00 33.24 C ATOM 0 HA PRO A 62 -3.979 2.912 11.843 1.00 64.44 H new ATOM 0 HB2 PRO A 62 -2.441 5.494 11.688 1.00 0.21 H new ATOM 0 HB3 PRO A 62 -2.713 4.483 13.093 1.00 0.21 H new ATOM 0 HG2 PRO A 62 -0.295 4.591 11.955 1.00 32.21 H new ATOM 0 HG3 PRO A 62 -0.898 3.083 12.614 1.00 32.21 H new ATOM 0 HD2 PRO A 62 -0.776 3.966 9.726 1.00 33.24 H new ATOM 0 HD3 PRO A 62 -0.433 2.389 10.407 1.00 33.24 H new ATOM 1125 N HIS A 71 -0.803 12.720 5.066 1.00 13.24 N ATOM 1126 CA HIS A 71 -0.781 11.391 5.660 1.00 51.25 C ATOM 1127 C HIS A 71 0.551 10.703 5.348 1.00 53.34 C ATOM 1128 O HIS A 71 0.697 9.495 5.531 1.00 32.03 O ATOM 1129 CB HIS A 71 -1.957 10.556 5.135 1.00 73.53 C ATOM 1130 CG HIS A 71 -2.400 9.465 6.069 1.00 40.51 C ATOM 1131 ND1 HIS A 71 -2.308 8.122 5.767 1.00 74.41 N ATOM 1132 CD2 HIS A 71 -2.976 9.532 7.293 1.00 5.10 C ATOM 1133 CE1 HIS A 71 -2.810 7.414 6.766 1.00 63.42 C ATOM 1134 NE2 HIS A 71 -3.221 8.245 7.705 1.00 14.43 N ATOM 0 HA HIS A 71 -0.881 11.482 6.742 1.00 51.25 H new ATOM 0 HB2 HIS A 71 -2.801 11.218 4.941 1.00 73.53 H new ATOM 0 HB3 HIS A 71 -1.675 10.111 4.181 1.00 73.53 H new ATOM 0 HD2 HIS A 71 -3.201 10.433 7.844 1.00 5.10 H new ATOM 0 HE1 HIS A 71 -2.873 6.337 6.806 1.00 63.42 H new ATOM 0 HE2 HIS A 71 -3.650 7.976 8.591 1.00 14.43 H new ATOM 1143 N ASP A 72 1.519 11.493 4.882 1.00 63.55 N ATOM 1144 CA ASP A 72 2.864 10.999 4.573 1.00 20.33 C ATOM 1145 C ASP A 72 3.582 10.519 5.829 1.00 13.30 C ATOM 1146 O ASP A 72 4.484 9.692 5.763 1.00 24.01 O ATOM 1147 CB ASP A 72 3.691 12.101 3.896 1.00 45.41 C ATOM 1148 CG ASP A 72 5.176 11.782 3.842 1.00 1.50 C ATOM 1149 OD1 ASP A 72 5.593 10.990 2.975 1.00 35.21 O ATOM 1150 OD2 ASP A 72 5.937 12.334 4.668 1.00 14.04 O ATOM 0 H ASP A 72 1.395 12.490 4.708 1.00 63.55 H new ATOM 0 HA ASP A 72 2.759 10.153 3.894 1.00 20.33 H new ATOM 0 HB2 ASP A 72 3.321 12.254 2.882 1.00 45.41 H new ATOM 0 HB3 ASP A 72 3.546 13.038 4.433 1.00 45.41 H new ATOM 1155 N ASP A 73 3.133 10.997 6.978 1.00 31.42 N ATOM 1156 CA ASP A 73 3.800 10.703 8.242 1.00 25.14 C ATOM 1157 C ASP A 73 3.330 9.358 8.788 1.00 64.41 C ATOM 1158 O ASP A 73 3.714 8.929 9.877 1.00 14.23 O ATOM 1159 CB ASP A 73 3.504 11.829 9.240 1.00 15.51 C ATOM 1160 CG ASP A 73 4.249 11.679 10.550 1.00 73.52 C ATOM 1161 OD1 ASP A 73 5.496 11.665 10.534 1.00 72.44 O ATOM 1162 OD2 ASP A 73 3.587 11.593 11.606 1.00 3.01 O ATOM 0 H ASP A 73 2.309 11.591 7.065 1.00 31.42 H new ATOM 0 HA ASP A 73 4.876 10.642 8.082 1.00 25.14 H new ATOM 0 HB2 ASP A 73 3.768 12.785 8.787 1.00 15.51 H new ATOM 0 HB3 ASP A 73 2.433 11.856 9.440 1.00 15.51 H new ATOM 1167 N VAL A 74 2.511 8.684 8.001 1.00 15.43 N ATOM 1168 CA VAL A 74 2.001 7.376 8.360 1.00 73.10 C ATOM 1169 C VAL A 74 2.568 6.305 7.435 1.00 34.44 C ATOM 1170 O VAL A 74 2.465 6.410 6.207 1.00 64.55 O ATOM 1171 CB VAL A 74 0.462 7.353 8.306 1.00 44.11 C ATOM 1172 CG1 VAL A 74 -0.073 5.968 8.630 1.00 3.00 C ATOM 1173 CG2 VAL A 74 -0.113 8.384 9.264 1.00 2.13 C ATOM 0 H VAL A 74 2.182 9.028 7.099 1.00 15.43 H new ATOM 0 HA VAL A 74 2.317 7.163 9.381 1.00 73.10 H new ATOM 0 HB VAL A 74 0.151 7.605 7.292 1.00 44.11 H new ATOM 0 HG11 VAL A 74 -1.162 5.979 8.585 1.00 3.00 H new ATOM 0 HG12 VAL A 74 0.313 5.250 7.906 1.00 3.00 H new ATOM 0 HG13 VAL A 74 0.246 5.680 9.632 1.00 3.00 H new ATOM 0 HG21 VAL A 74 -1.202 8.358 9.216 1.00 2.13 H new ATOM 0 HG22 VAL A 74 0.211 8.158 10.280 1.00 2.13 H new ATOM 0 HG23 VAL A 74 0.239 9.377 8.984 1.00 2.13 H new ATOM 1183 N ASP A 75 3.172 5.288 8.031 1.00 23.23 N ATOM 1184 CA ASP A 75 3.756 4.188 7.275 1.00 23.34 C ATOM 1185 C ASP A 75 2.749 3.069 7.088 1.00 21.35 C ATOM 1186 O ASP A 75 2.031 2.703 8.022 1.00 23.03 O ATOM 1187 CB ASP A 75 4.991 3.631 7.984 1.00 42.23 C ATOM 1188 CG ASP A 75 6.174 4.572 7.953 1.00 13.51 C ATOM 1189 OD1 ASP A 75 6.253 5.465 8.825 1.00 41.13 O ATOM 1190 OD2 ASP A 75 7.047 4.409 7.073 1.00 30.43 O ATOM 0 H ASP A 75 3.271 5.201 9.042 1.00 23.23 H new ATOM 0 HA ASP A 75 4.047 4.581 6.301 1.00 23.34 H new ATOM 0 HB2 ASP A 75 4.738 3.411 9.021 1.00 42.23 H new ATOM 0 HB3 ASP A 75 5.274 2.687 7.518 1.00 42.23 H new ATOM 1195 N ILE A 76 2.699 2.535 5.880 1.00 54.35 N ATOM 1196 CA ILE A 76 1.861 1.387 5.579 1.00 35.11 C ATOM 1197 C ILE A 76 2.714 0.129 5.650 1.00 32.04 C ATOM 1198 O ILE A 76 3.715 0.007 4.935 1.00 41.15 O ATOM 1199 CB ILE A 76 1.191 1.493 4.179 1.00 71.54 C ATOM 1200 CG1 ILE A 76 0.117 2.592 4.161 1.00 45.43 C ATOM 1201 CG2 ILE A 76 0.575 0.154 3.774 1.00 52.11 C ATOM 1202 CD1 ILE A 76 0.649 4.003 4.288 1.00 61.53 C ATOM 0 H ILE A 76 3.235 2.882 5.084 1.00 54.35 H new ATOM 0 HA ILE A 76 1.057 1.351 6.314 1.00 35.11 H new ATOM 0 HB ILE A 76 1.966 1.757 3.459 1.00 71.54 H new ATOM 0 HG12 ILE A 76 -0.447 2.514 3.231 1.00 45.43 H new ATOM 0 HG13 ILE A 76 -0.584 2.409 4.975 1.00 45.43 H new ATOM 0 HG21 ILE A 76 0.111 0.249 2.792 1.00 52.11 H new ATOM 0 HG22 ILE A 76 1.354 -0.608 3.736 1.00 52.11 H new ATOM 0 HG23 ILE A 76 -0.180 -0.135 4.505 1.00 52.11 H new ATOM 0 HD11 ILE A 76 -0.182 4.708 4.265 1.00 61.53 H new ATOM 0 HD12 ILE A 76 1.187 4.106 5.231 1.00 61.53 H new ATOM 0 HD13 ILE A 76 1.326 4.213 3.460 1.00 61.53 H new ATOM 1214 N ILE A 77 2.329 -0.793 6.516 1.00 72.25 N ATOM 1215 CA ILE A 77 3.143 -1.966 6.790 1.00 45.54 C ATOM 1216 C ILE A 77 2.571 -3.210 6.118 1.00 5.15 C ATOM 1217 O ILE A 77 1.383 -3.505 6.239 1.00 1.30 O ATOM 1218 CB ILE A 77 3.258 -2.212 8.310 1.00 13.13 C ATOM 1219 CG1 ILE A 77 3.768 -0.950 9.015 1.00 15.14 C ATOM 1220 CG2 ILE A 77 4.180 -3.389 8.593 1.00 10.21 C ATOM 1221 CD1 ILE A 77 3.873 -1.088 10.522 1.00 54.34 C ATOM 0 H ILE A 77 1.456 -0.752 7.042 1.00 72.25 H new ATOM 0 HA ILE A 77 4.134 -1.772 6.381 1.00 45.54 H new ATOM 0 HB ILE A 77 2.268 -2.452 8.698 1.00 13.13 H new ATOM 0 HG12 ILE A 77 4.749 -0.693 8.614 1.00 15.14 H new ATOM 0 HG13 ILE A 77 3.101 -0.120 8.782 1.00 15.14 H new ATOM 0 HG21 ILE A 77 4.249 -3.547 9.669 1.00 10.21 H new ATOM 0 HG22 ILE A 77 3.781 -4.286 8.119 1.00 10.21 H new ATOM 0 HG23 ILE A 77 5.172 -3.178 8.193 1.00 10.21 H new ATOM 0 HD11 ILE A 77 4.241 -0.155 10.948 1.00 54.34 H new ATOM 0 HD12 ILE A 77 2.890 -1.314 10.936 1.00 54.34 H new ATOM 0 HD13 ILE A 77 4.564 -1.895 10.766 1.00 54.34 H new ATOM 1233 N LEU A 78 3.433 -3.927 5.410 1.00 31.30 N ATOM 1234 CA LEU A 78 3.068 -5.176 4.757 1.00 42.50 C ATOM 1235 C LEU A 78 3.074 -6.314 5.771 1.00 20.04 C ATOM 1236 O LEU A 78 4.052 -6.504 6.499 1.00 62.11 O ATOM 1237 CB LEU A 78 4.053 -5.481 3.621 1.00 2.11 C ATOM 1238 CG LEU A 78 3.713 -6.700 2.759 1.00 22.10 C ATOM 1239 CD1 LEU A 78 2.453 -6.445 1.950 1.00 74.31 C ATOM 1240 CD2 LEU A 78 4.877 -7.042 1.839 1.00 54.13 C ATOM 0 H LEU A 78 4.407 -3.658 5.272 1.00 31.30 H new ATOM 0 HA LEU A 78 2.066 -5.078 4.340 1.00 42.50 H new ATOM 0 HB2 LEU A 78 4.115 -4.606 2.973 1.00 2.11 H new ATOM 0 HB3 LEU A 78 5.043 -5.629 4.053 1.00 2.11 H new ATOM 0 HG LEU A 78 3.533 -7.549 3.418 1.00 22.10 H new ATOM 0 HD11 LEU A 78 2.226 -7.322 1.343 1.00 74.31 H new ATOM 0 HD12 LEU A 78 1.621 -6.246 2.625 1.00 74.31 H new ATOM 0 HD13 LEU A 78 2.606 -5.584 1.300 1.00 74.31 H new ATOM 0 HD21 LEU A 78 4.619 -7.911 1.233 1.00 54.13 H new ATOM 0 HD22 LEU A 78 5.087 -6.194 1.187 1.00 54.13 H new ATOM 0 HD23 LEU A 78 5.760 -7.266 2.437 1.00 54.13 H new ATOM 1252 N LEU A 79 1.977 -7.054 5.819 1.00 22.42 N ATOM 1253 CA LEU A 79 1.823 -8.160 6.755 1.00 5.34 C ATOM 1254 C LEU A 79 1.925 -9.497 6.033 1.00 42.14 C ATOM 1255 O LEU A 79 2.539 -10.443 6.533 1.00 64.41 O ATOM 1256 CB LEU A 79 0.474 -8.061 7.467 1.00 23.23 C ATOM 1257 CG LEU A 79 0.213 -6.735 8.180 1.00 63.10 C ATOM 1258 CD1 LEU A 79 -1.182 -6.725 8.783 1.00 32.33 C ATOM 1259 CD2 LEU A 79 1.266 -6.491 9.250 1.00 42.42 C ATOM 0 H LEU A 79 1.170 -6.907 5.213 1.00 22.42 H new ATOM 0 HA LEU A 79 2.625 -8.099 7.490 1.00 5.34 H new ATOM 0 HB2 LEU A 79 -0.318 -8.225 6.736 1.00 23.23 H new ATOM 0 HB3 LEU A 79 0.406 -8.868 8.197 1.00 23.23 H new ATOM 0 HG LEU A 79 0.276 -5.928 7.450 1.00 63.10 H new ATOM 0 HD11 LEU A 79 -1.353 -5.774 9.288 1.00 32.33 H new ATOM 0 HD12 LEU A 79 -1.921 -6.855 7.992 1.00 32.33 H new ATOM 0 HD13 LEU A 79 -1.273 -7.539 9.502 1.00 32.33 H new ATOM 0 HD21 LEU A 79 1.065 -5.542 9.748 1.00 42.42 H new ATOM 0 HD22 LEU A 79 1.235 -7.299 9.981 1.00 42.42 H new ATOM 0 HD23 LEU A 79 2.253 -6.457 8.788 1.00 42.42 H new ATOM 1271 N GLN A 80 1.311 -9.572 4.863 1.00 10.24 N ATOM 1272 CA GLN A 80 1.341 -10.784 4.061 1.00 54.23 C ATOM 1273 C GLN A 80 2.160 -10.569 2.800 1.00 13.04 C ATOM 1274 O GLN A 80 1.969 -9.583 2.092 1.00 2.22 O ATOM 1275 CB GLN A 80 -0.074 -11.203 3.660 1.00 33.04 C ATOM 1276 CG GLN A 80 -0.898 -11.807 4.784 1.00 74.14 C ATOM 1277 CD GLN A 80 -2.247 -12.299 4.290 1.00 3.42 C ATOM 1278 OE1 GLN A 80 -3.248 -11.435 4.326 1.00 14.32 O flip ATOM 1279 NE2 GLN A 80 -2.387 -13.448 3.870 1.00 64.43 N flip ATOM 0 H GLN A 80 0.784 -8.804 4.447 1.00 10.24 H new ATOM 0 HA GLN A 80 1.796 -11.568 4.666 1.00 54.23 H new ATOM 0 HB2 GLN A 80 -0.600 -10.332 3.270 1.00 33.04 H new ATOM 0 HB3 GLN A 80 -0.008 -11.926 2.847 1.00 33.04 H new ATOM 0 HG2 GLN A 80 -0.350 -12.636 5.232 1.00 74.14 H new ATOM 0 HG3 GLN A 80 -1.046 -11.063 5.567 1.00 74.14 H new ATOM 0 HE21 GLN A 80 -1.592 -14.087 3.857 1.00 64.43 H new ATOM 0 HE22 GLN A 80 -3.298 -13.761 3.535 1.00 64.43 H new ATOM 1288 N ASP A 81 3.052 -11.499 2.509 1.00 65.13 N ATOM 1289 CA ASP A 81 3.827 -11.437 1.281 1.00 4.34 C ATOM 1290 C ASP A 81 3.270 -12.438 0.279 1.00 25.35 C ATOM 1291 O ASP A 81 3.657 -13.609 0.263 1.00 13.44 O ATOM 1292 CB ASP A 81 5.308 -11.704 1.553 1.00 72.03 C ATOM 1293 CG ASP A 81 6.171 -11.515 0.321 1.00 13.21 C ATOM 1294 OD1 ASP A 81 6.084 -10.442 -0.309 1.00 72.12 O ATOM 1295 OD2 ASP A 81 6.943 -12.440 -0.015 1.00 73.12 O ATOM 0 H ASP A 81 3.258 -12.303 3.102 1.00 65.13 H new ATOM 0 HA ASP A 81 3.748 -10.433 0.863 1.00 4.34 H new ATOM 0 HB2 ASP A 81 5.655 -11.036 2.341 1.00 72.03 H new ATOM 0 HB3 ASP A 81 5.428 -12.722 1.923 1.00 72.03 H new