USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 798 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 1 MET CE :methyl -126:sc= -3.14! (180deg=-9.43!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.27 (180deg=1.18) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc=-0.00311 (180deg=-0.0413) USER MOD Single : A 4 TYR OH : rot 40:sc= 0.347 USER MOD Single : A 7 ASN : amide:sc= -2.8 K(o=-2.8,f=-5!) USER MOD Single : A 10 THR OG1 : rot -57:sc= 0.794 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.126) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.596 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -61:sc= 0 USER MOD Single : A 65 SER OG : rot 40:sc= -2.89! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -2.88 K(o=-2.9,f=-0.98) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.901 -0.678 0.496 1.00 63.50 N ATOM 2 CA MET A 1 1.734 -0.988 -0.661 1.00 32.44 C ATOM 3 C MET A 1 3.178 -0.558 -0.422 1.00 72.50 C ATOM 4 O MET A 1 3.436 0.438 0.254 1.00 63.33 O ATOM 5 CB MET A 1 1.184 -0.299 -1.911 1.00 21.01 C ATOM 6 CG MET A 1 1.881 -0.722 -3.194 1.00 73.10 C ATOM 7 SD MET A 1 1.417 -2.383 -3.721 1.00 22.01 S ATOM 8 CE MET A 1 1.183 -2.128 -5.478 1.00 54.31 C ATOM 0 H1 MET A 1 -0.012 -1.168 0.408 1.00 63.50 H new ATOM 0 H2 MET A 1 1.381 -0.993 1.363 1.00 63.50 H new ATOM 0 H3 MET A 1 0.740 0.348 0.543 1.00 63.50 H new ATOM 0 HA MET A 1 1.716 -2.067 -0.812 1.00 32.44 H new ATOM 0 HB2 MET A 1 0.119 -0.516 -1.997 1.00 21.01 H new ATOM 0 HB3 MET A 1 1.281 0.780 -1.793 1.00 21.01 H new ATOM 0 HG2 MET A 1 1.639 -0.013 -3.985 1.00 73.10 H new ATOM 0 HG3 MET A 1 2.960 -0.680 -3.048 1.00 73.10 H new ATOM 0 HE1 MET A 1 0.192 -2.478 -5.768 1.00 54.31 H new ATOM 0 HE2 MET A 1 1.274 -1.066 -5.707 1.00 54.31 H new ATOM 0 HE3 MET A 1 1.940 -2.685 -6.030 1.00 54.31 H new ATOM 18 N LYS A 2 4.116 -1.316 -0.980 1.00 52.14 N ATOM 19 CA LYS A 2 5.534 -1.013 -0.830 1.00 22.43 C ATOM 20 C LYS A 2 6.077 -0.315 -2.072 1.00 54.34 C ATOM 21 O LYS A 2 5.758 -0.695 -3.199 1.00 41.32 O ATOM 22 CB LYS A 2 6.325 -2.297 -0.567 1.00 3.21 C ATOM 23 CG LYS A 2 5.999 -2.950 0.765 1.00 64.31 C ATOM 24 CD LYS A 2 7.185 -3.730 1.308 1.00 0.14 C ATOM 25 CE LYS A 2 8.009 -2.891 2.273 1.00 13.23 C ATOM 26 NZ LYS A 2 9.193 -2.281 1.607 1.00 74.12 N ATOM 0 H LYS A 2 3.919 -2.145 -1.541 1.00 52.14 H new ATOM 0 HA LYS A 2 5.648 -0.341 0.021 1.00 22.43 H new ATOM 0 HB2 LYS A 2 6.125 -3.008 -1.369 1.00 3.21 H new ATOM 0 HB3 LYS A 2 7.391 -2.070 -0.600 1.00 3.21 H new ATOM 0 HG2 LYS A 2 5.705 -2.185 1.484 1.00 64.31 H new ATOM 0 HG3 LYS A 2 5.147 -3.619 0.645 1.00 64.31 H new ATOM 0 HD2 LYS A 2 6.830 -4.627 1.816 1.00 0.14 H new ATOM 0 HD3 LYS A 2 7.815 -4.059 0.481 1.00 0.14 H new ATOM 0 HE2 LYS A 2 7.384 -2.104 2.695 1.00 13.23 H new ATOM 0 HE3 LYS A 2 8.341 -3.514 3.104 1.00 13.23 H new ATOM 0 HZ1 LYS A 2 9.783 -1.802 2.317 1.00 74.12 H new ATOM 0 HZ2 LYS A 2 9.750 -3.025 1.139 1.00 74.12 H new ATOM 0 HZ3 LYS A 2 8.875 -1.589 0.898 1.00 74.12 H new ATOM 40 N VAL A 3 6.899 0.708 -1.860 1.00 33.14 N ATOM 41 CA VAL A 3 7.488 1.458 -2.963 1.00 34.24 C ATOM 42 C VAL A 3 8.972 1.712 -2.724 1.00 72.31 C ATOM 43 O VAL A 3 9.409 1.873 -1.585 1.00 4.14 O ATOM 44 CB VAL A 3 6.774 2.807 -3.168 1.00 53.13 C ATOM 45 CG1 VAL A 3 6.925 3.277 -4.607 1.00 12.51 C ATOM 46 CG2 VAL A 3 5.305 2.696 -2.786 1.00 44.13 C ATOM 0 H VAL A 3 7.172 1.036 -0.934 1.00 33.14 H new ATOM 0 HA VAL A 3 7.366 0.851 -3.860 1.00 34.24 H new ATOM 0 HB VAL A 3 7.240 3.548 -2.518 1.00 53.13 H new ATOM 0 HG11 VAL A 3 6.414 4.232 -4.733 1.00 12.51 H new ATOM 0 HG12 VAL A 3 7.983 3.397 -4.841 1.00 12.51 H new ATOM 0 HG13 VAL A 3 6.486 2.539 -5.279 1.00 12.51 H new ATOM 0 HG21 VAL A 3 4.816 3.658 -2.937 1.00 44.13 H new ATOM 0 HG22 VAL A 3 4.823 1.942 -3.409 1.00 44.13 H new ATOM 0 HG23 VAL A 3 5.222 2.408 -1.738 1.00 44.13 H new ATOM 56 N TYR A 4 9.742 1.746 -3.806 1.00 54.40 N ATOM 57 CA TYR A 4 11.178 1.979 -3.715 1.00 21.12 C ATOM 58 C TYR A 4 11.637 2.975 -4.776 1.00 22.52 C ATOM 59 O TYR A 4 11.486 2.737 -5.974 1.00 61.42 O ATOM 60 CB TYR A 4 11.940 0.662 -3.872 1.00 21.04 C ATOM 61 CG TYR A 4 13.084 0.738 -4.857 1.00 63.01 C ATOM 62 CD1 TYR A 4 14.285 1.346 -4.512 1.00 61.33 C ATOM 63 CD2 TYR A 4 12.965 0.201 -6.133 1.00 74.01 C ATOM 64 CE1 TYR A 4 15.333 1.418 -5.410 1.00 13.02 C ATOM 65 CE2 TYR A 4 14.007 0.267 -7.037 1.00 4.43 C ATOM 66 CZ TYR A 4 15.189 0.877 -6.671 1.00 1.34 C ATOM 67 OH TYR A 4 16.231 0.946 -7.567 1.00 52.11 O ATOM 0 H TYR A 4 9.395 1.615 -4.756 1.00 54.40 H new ATOM 0 HA TYR A 4 11.391 2.400 -2.732 1.00 21.12 H new ATOM 0 HB2 TYR A 4 12.328 0.359 -2.900 1.00 21.04 H new ATOM 0 HB3 TYR A 4 11.245 -0.114 -4.194 1.00 21.04 H new ATOM 0 HD1 TYR A 4 14.401 1.769 -3.525 1.00 61.33 H new ATOM 0 HD2 TYR A 4 12.041 -0.277 -6.423 1.00 74.01 H new ATOM 0 HE1 TYR A 4 16.259 1.895 -5.126 1.00 13.02 H new ATOM 0 HE2 TYR A 4 13.897 -0.156 -8.024 1.00 4.43 H new ATOM 0 HH TYR A 4 17.076 0.777 -7.100 1.00 52.11 H new ATOM 77 N VAL A 5 12.200 4.092 -4.326 1.00 32.44 N ATOM 78 CA VAL A 5 12.684 5.124 -5.234 1.00 75.05 C ATOM 79 C VAL A 5 14.198 5.269 -5.145 1.00 5.21 C ATOM 80 O VAL A 5 14.721 5.864 -4.203 1.00 40.14 O ATOM 81 CB VAL A 5 12.030 6.486 -4.936 1.00 13.15 C ATOM 82 CG1 VAL A 5 10.577 6.492 -5.387 1.00 21.11 C ATOM 83 CG2 VAL A 5 12.138 6.815 -3.454 1.00 74.22 C ATOM 0 H VAL A 5 12.332 4.305 -3.337 1.00 32.44 H new ATOM 0 HA VAL A 5 12.411 4.811 -6.242 1.00 75.05 H new ATOM 0 HB VAL A 5 12.562 7.255 -5.496 1.00 13.15 H new ATOM 0 HG11 VAL A 5 10.132 7.463 -5.168 1.00 21.11 H new ATOM 0 HG12 VAL A 5 10.528 6.304 -6.460 1.00 21.11 H new ATOM 0 HG13 VAL A 5 10.028 5.713 -4.857 1.00 21.11 H new ATOM 0 HG21 VAL A 5 11.671 7.781 -3.261 1.00 74.22 H new ATOM 0 HG22 VAL A 5 11.632 6.044 -2.872 1.00 74.22 H new ATOM 0 HG23 VAL A 5 13.188 6.856 -3.166 1.00 74.22 H new ATOM 93 N GLY A 6 14.900 4.721 -6.133 1.00 13.02 N ATOM 94 CA GLY A 6 16.349 4.801 -6.147 1.00 74.40 C ATOM 95 C GLY A 6 16.867 5.740 -7.218 1.00 2.03 C ATOM 96 O GLY A 6 16.091 6.439 -7.868 1.00 5.21 O ATOM 0 H GLY A 6 14.491 4.223 -6.924 1.00 13.02 H new ATOM 0 HA2 GLY A 6 16.701 5.138 -5.172 1.00 74.40 H new ATOM 0 HA3 GLY A 6 16.763 3.806 -6.309 1.00 74.40 H new ATOM 100 N ASN A 7 18.184 5.758 -7.400 1.00 74.54 N ATOM 101 CA ASN A 7 18.805 6.620 -8.398 1.00 43.34 C ATOM 102 C ASN A 7 18.527 8.090 -8.096 1.00 65.31 C ATOM 103 O ASN A 7 17.776 8.751 -8.814 1.00 4.40 O ATOM 104 CB ASN A 7 18.292 6.270 -9.797 1.00 22.24 C ATOM 105 CG ASN A 7 18.897 4.985 -10.329 1.00 43.32 C ATOM 106 OD1 ASN A 7 19.426 4.949 -11.440 1.00 45.32 O ATOM 107 ND2 ASN A 7 18.821 3.922 -9.537 1.00 2.53 N ATOM 0 H ASN A 7 18.841 5.186 -6.869 1.00 74.54 H new ATOM 0 HA ASN A 7 19.882 6.457 -8.362 1.00 43.34 H new ATOM 0 HB2 ASN A 7 17.207 6.173 -9.770 1.00 22.24 H new ATOM 0 HB3 ASN A 7 18.522 7.087 -10.481 1.00 22.24 H new ATOM 0 HD21 ASN A 7 19.210 3.030 -9.842 1.00 2.53 H new ATOM 0 HD22 ASN A 7 18.373 3.998 -8.624 1.00 2.53 H new ATOM 114 N LEU A 8 19.138 8.594 -7.030 1.00 3.31 N ATOM 115 CA LEU A 8 18.958 9.986 -6.632 1.00 50.21 C ATOM 116 C LEU A 8 20.296 10.631 -6.285 1.00 30.02 C ATOM 117 O LEU A 8 20.978 10.207 -5.353 1.00 33.24 O ATOM 118 CB LEU A 8 18.010 10.076 -5.435 1.00 55.44 C ATOM 119 CG LEU A 8 16.644 9.411 -5.610 1.00 14.51 C ATOM 120 CD1 LEU A 8 16.633 8.036 -4.961 1.00 14.22 C ATOM 121 CD2 LEU A 8 15.545 10.288 -5.026 1.00 23.14 C ATOM 0 H LEU A 8 19.762 8.060 -6.426 1.00 3.31 H new ATOM 0 HA LEU A 8 18.523 10.525 -7.474 1.00 50.21 H new ATOM 0 HB2 LEU A 8 18.502 9.627 -4.572 1.00 55.44 H new ATOM 0 HB3 LEU A 8 17.852 11.129 -5.200 1.00 55.44 H new ATOM 0 HG LEU A 8 16.455 9.288 -6.676 1.00 14.51 H new ATOM 0 HD11 LEU A 8 15.653 7.578 -5.096 1.00 14.22 H new ATOM 0 HD12 LEU A 8 17.394 7.408 -5.425 1.00 14.22 H new ATOM 0 HD13 LEU A 8 16.844 8.135 -3.896 1.00 14.22 H new ATOM 0 HD21 LEU A 8 14.580 9.799 -5.159 1.00 23.14 H new ATOM 0 HD22 LEU A 8 15.729 10.443 -3.963 1.00 23.14 H new ATOM 0 HD23 LEU A 8 15.538 11.251 -5.537 1.00 23.14 H new ATOM 133 N GLY A 9 20.665 11.661 -7.041 1.00 31.15 N ATOM 134 CA GLY A 9 21.919 12.349 -6.796 1.00 12.24 C ATOM 135 C GLY A 9 22.178 13.456 -7.799 1.00 23.25 C ATOM 136 O GLY A 9 23.143 13.399 -8.563 1.00 35.14 O ATOM 0 H GLY A 9 20.118 12.031 -7.818 1.00 31.15 H new ATOM 0 HA2 GLY A 9 21.909 12.769 -5.790 1.00 12.24 H new ATOM 0 HA3 GLY A 9 22.738 11.630 -6.833 1.00 12.24 H new ATOM 140 N THR A 10 21.315 14.467 -7.799 1.00 32.30 N ATOM 141 CA THR A 10 21.453 15.590 -8.717 1.00 63.23 C ATOM 142 C THR A 10 20.390 16.650 -8.454 1.00 3.15 C ATOM 143 O THR A 10 19.814 17.211 -9.385 1.00 21.42 O ATOM 144 CB THR A 10 21.352 15.132 -10.184 1.00 61.45 C ATOM 145 OG1 THR A 10 21.582 16.240 -11.061 1.00 11.30 O ATOM 146 CG2 THR A 10 19.985 14.528 -10.470 1.00 22.12 C ATOM 0 H THR A 10 20.512 14.531 -7.173 1.00 32.30 H new ATOM 0 HA THR A 10 22.440 16.019 -8.545 1.00 63.23 H new ATOM 0 HB THR A 10 22.112 14.370 -10.356 1.00 61.45 H new ATOM 0 HG1 THR A 10 20.940 16.953 -10.863 1.00 11.30 H new ATOM 0 HG21 THR A 10 19.938 14.212 -11.512 1.00 22.12 H new ATOM 0 HG22 THR A 10 19.825 13.666 -9.822 1.00 22.12 H new ATOM 0 HG23 THR A 10 19.212 15.272 -10.281 1.00 22.12 H new ATOM 154 N GLY A 11 20.135 16.921 -7.177 1.00 43.30 N ATOM 155 CA GLY A 11 19.142 17.915 -6.814 1.00 33.21 C ATOM 156 C GLY A 11 17.747 17.329 -6.710 1.00 43.45 C ATOM 157 O GLY A 11 16.765 18.063 -6.602 1.00 43.13 O ATOM 0 H GLY A 11 20.598 16.470 -6.388 1.00 43.30 H new ATOM 0 HA2 GLY A 11 19.415 18.366 -5.860 1.00 33.21 H new ATOM 0 HA3 GLY A 11 19.143 18.713 -7.556 1.00 33.21 H new ATOM 161 N ALA A 12 17.660 16.004 -6.745 1.00 73.33 N ATOM 162 CA ALA A 12 16.375 15.320 -6.654 1.00 44.43 C ATOM 163 C ALA A 12 16.408 14.229 -5.589 1.00 44.35 C ATOM 164 O ALA A 12 16.991 13.166 -5.795 1.00 24.54 O ATOM 165 CB ALA A 12 15.994 14.732 -8.004 1.00 61.44 C ATOM 0 H ALA A 12 18.463 15.382 -6.836 1.00 73.33 H new ATOM 0 HA ALA A 12 15.621 16.052 -6.363 1.00 44.43 H new ATOM 0 HB1 ALA A 12 15.033 14.224 -7.922 1.00 61.44 H new ATOM 0 HB2 ALA A 12 15.920 15.531 -8.741 1.00 61.44 H new ATOM 0 HB3 ALA A 12 16.756 14.018 -8.318 1.00 61.44 H new ATOM 171 N GLY A 13 15.779 14.501 -4.450 1.00 52.13 N ATOM 172 CA GLY A 13 15.749 13.533 -3.370 1.00 21.32 C ATOM 173 C GLY A 13 14.450 13.573 -2.590 1.00 53.33 C ATOM 174 O GLY A 13 13.370 13.413 -3.160 1.00 32.14 O ATOM 0 H GLY A 13 15.290 15.375 -4.256 1.00 52.13 H new ATOM 0 HA2 GLY A 13 15.893 12.533 -3.779 1.00 21.32 H new ATOM 0 HA3 GLY A 13 16.582 13.723 -2.693 1.00 21.32 H new ATOM 178 N LYS A 14 14.552 13.787 -1.283 1.00 23.41 N ATOM 179 CA LYS A 14 13.377 13.847 -0.423 1.00 12.55 C ATOM 180 C LYS A 14 12.337 14.809 -0.989 1.00 41.10 C ATOM 181 O LYS A 14 11.181 14.440 -1.191 1.00 10.10 O ATOM 182 CB LYS A 14 13.775 14.284 0.989 1.00 33.33 C ATOM 183 CG LYS A 14 12.769 13.885 2.055 1.00 14.53 C ATOM 184 CD LYS A 14 11.939 15.074 2.511 1.00 4.24 C ATOM 185 CE LYS A 14 10.479 14.695 2.701 1.00 54.02 C ATOM 186 NZ LYS A 14 10.321 13.538 3.625 1.00 63.11 N ATOM 0 H LYS A 14 15.438 13.922 -0.796 1.00 23.41 H new ATOM 0 HA LYS A 14 12.939 12.850 -0.379 1.00 12.55 H new ATOM 0 HB2 LYS A 14 14.744 13.850 1.235 1.00 33.33 H new ATOM 0 HB3 LYS A 14 13.898 15.367 1.004 1.00 33.33 H new ATOM 0 HG2 LYS A 14 12.111 13.109 1.663 1.00 14.53 H new ATOM 0 HG3 LYS A 14 13.293 13.457 2.909 1.00 14.53 H new ATOM 0 HD2 LYS A 14 12.340 15.461 3.448 1.00 4.24 H new ATOM 0 HD3 LYS A 14 12.015 15.875 1.776 1.00 4.24 H new ATOM 0 HE2 LYS A 14 9.930 15.551 3.094 1.00 54.02 H new ATOM 0 HE3 LYS A 14 10.039 14.450 1.734 1.00 54.02 H new ATOM 0 HZ1 LYS A 14 9.332 13.479 3.942 1.00 63.11 H new ATOM 0 HZ2 LYS A 14 10.579 12.661 3.130 1.00 63.11 H new ATOM 0 HZ3 LYS A 14 10.942 13.665 4.450 1.00 63.11 H new ATOM 200 N GLY A 15 12.757 16.044 -1.245 1.00 1.51 N ATOM 201 CA GLY A 15 11.850 17.039 -1.787 1.00 40.11 C ATOM 202 C GLY A 15 11.296 16.642 -3.141 1.00 65.02 C ATOM 203 O GLY A 15 10.115 16.844 -3.419 1.00 32.35 O ATOM 0 H GLY A 15 13.709 16.373 -1.087 1.00 1.51 H new ATOM 0 HA2 GLY A 15 11.025 17.192 -1.091 1.00 40.11 H new ATOM 0 HA3 GLY A 15 12.372 17.992 -1.877 1.00 40.11 H new ATOM 207 N GLU A 16 12.153 16.077 -3.987 1.00 0.34 N ATOM 208 CA GLU A 16 11.742 15.654 -5.320 1.00 62.21 C ATOM 209 C GLU A 16 10.670 14.571 -5.241 1.00 23.43 C ATOM 210 O GLU A 16 9.573 14.726 -5.779 1.00 3.01 O ATOM 211 CB GLU A 16 12.947 15.137 -6.109 1.00 42.52 C ATOM 212 CG GLU A 16 12.937 15.547 -7.572 1.00 45.33 C ATOM 213 CD GLU A 16 13.685 16.843 -7.820 1.00 64.12 C ATOM 214 OE1 GLU A 16 13.958 17.567 -6.840 1.00 23.54 O ATOM 215 OE2 GLU A 16 13.997 17.133 -8.994 1.00 3.31 O ATOM 0 H GLU A 16 13.135 15.902 -3.772 1.00 0.34 H new ATOM 0 HA GLU A 16 11.323 16.519 -5.835 1.00 62.21 H new ATOM 0 HB2 GLU A 16 13.861 15.505 -5.643 1.00 42.52 H new ATOM 0 HB3 GLU A 16 12.973 14.049 -6.045 1.00 42.52 H new ATOM 0 HG2 GLU A 16 13.384 14.754 -8.171 1.00 45.33 H new ATOM 0 HG3 GLU A 16 11.906 15.657 -7.908 1.00 45.33 H new ATOM 222 N LEU A 17 10.996 13.473 -4.567 1.00 13.13 N ATOM 223 CA LEU A 17 10.062 12.362 -4.416 1.00 52.45 C ATOM 224 C LEU A 17 8.834 12.788 -3.617 1.00 62.52 C ATOM 225 O LEU A 17 7.744 12.248 -3.803 1.00 50.23 O ATOM 226 CB LEU A 17 10.749 11.182 -3.728 1.00 2.01 C ATOM 227 CG LEU A 17 10.624 11.128 -2.205 1.00 33.50 C ATOM 228 CD1 LEU A 17 9.357 10.390 -1.800 1.00 13.42 C ATOM 229 CD2 LEU A 17 11.848 10.464 -1.592 1.00 62.54 C ATOM 0 H LEU A 17 11.900 13.328 -4.117 1.00 13.13 H new ATOM 0 HA LEU A 17 9.737 12.055 -5.410 1.00 52.45 H new ATOM 0 HB2 LEU A 17 10.340 10.259 -4.139 1.00 2.01 H new ATOM 0 HB3 LEU A 17 11.808 11.204 -3.985 1.00 2.01 H new ATOM 0 HG LEU A 17 10.563 12.149 -1.828 1.00 33.50 H new ATOM 0 HD11 LEU A 17 9.284 10.361 -0.713 1.00 13.42 H new ATOM 0 HD12 LEU A 17 8.489 10.907 -2.208 1.00 13.42 H new ATOM 0 HD13 LEU A 17 9.389 9.372 -2.189 1.00 13.42 H new ATOM 0 HD21 LEU A 17 11.741 10.435 -0.508 1.00 62.54 H new ATOM 0 HD22 LEU A 17 11.941 9.448 -1.975 1.00 62.54 H new ATOM 0 HD23 LEU A 17 12.740 11.033 -1.853 1.00 62.54 H new ATOM 241 N GLU A 18 9.020 13.759 -2.729 1.00 31.01 N ATOM 242 CA GLU A 18 7.926 14.257 -1.903 1.00 24.02 C ATOM 243 C GLU A 18 6.865 14.940 -2.760 1.00 14.33 C ATOM 244 O GLU A 18 5.684 14.597 -2.695 1.00 62.53 O ATOM 245 CB GLU A 18 8.456 15.235 -0.852 1.00 21.32 C ATOM 246 CG GLU A 18 7.361 15.918 -0.049 1.00 64.15 C ATOM 247 CD GLU A 18 6.471 14.931 0.680 1.00 13.22 C ATOM 248 OE1 GLU A 18 6.974 14.234 1.585 1.00 31.43 O ATOM 249 OE2 GLU A 18 5.270 14.857 0.346 1.00 53.34 O ATOM 0 H GLU A 18 9.917 14.216 -2.563 1.00 31.01 H new ATOM 0 HA GLU A 18 7.468 13.406 -1.399 1.00 24.02 H new ATOM 0 HB2 GLU A 18 9.115 14.699 -0.169 1.00 21.32 H new ATOM 0 HB3 GLU A 18 9.060 15.995 -1.347 1.00 21.32 H new ATOM 0 HG2 GLU A 18 7.815 16.595 0.674 1.00 64.15 H new ATOM 0 HG3 GLU A 18 6.752 16.527 -0.717 1.00 64.15 H new ATOM 256 N ARG A 19 7.293 15.910 -3.561 1.00 24.00 N ATOM 257 CA ARG A 19 6.380 16.643 -4.429 1.00 44.24 C ATOM 258 C ARG A 19 5.758 15.717 -5.470 1.00 34.34 C ATOM 259 O ARG A 19 4.572 15.826 -5.783 1.00 5.15 O ATOM 260 CB ARG A 19 7.116 17.789 -5.127 1.00 13.23 C ATOM 261 CG ARG A 19 6.214 18.654 -5.993 1.00 21.23 C ATOM 262 CD ARG A 19 7.021 19.614 -6.853 1.00 24.34 C ATOM 263 NE ARG A 19 7.969 20.393 -6.061 1.00 1.23 N ATOM 264 CZ ARG A 19 8.716 21.371 -6.562 1.00 14.24 C ATOM 265 NH1 ARG A 19 8.625 21.688 -7.846 1.00 34.02 N ATOM 266 NH2 ARG A 19 9.555 22.035 -5.777 1.00 61.10 N ATOM 0 H ARG A 19 8.267 16.207 -3.627 1.00 24.00 H new ATOM 0 HA ARG A 19 5.583 17.054 -3.810 1.00 44.24 H new ATOM 0 HB2 ARG A 19 7.592 18.416 -4.373 1.00 13.23 H new ATOM 0 HB3 ARG A 19 7.912 17.375 -5.746 1.00 13.23 H new ATOM 0 HG2 ARG A 19 5.602 18.017 -6.632 1.00 21.23 H new ATOM 0 HG3 ARG A 19 5.531 19.219 -5.358 1.00 21.23 H new ATOM 0 HD2 ARG A 19 7.561 19.052 -7.615 1.00 24.34 H new ATOM 0 HD3 ARG A 19 6.344 20.290 -7.375 1.00 24.34 H new ATOM 0 HE ARG A 19 8.063 20.174 -5.069 1.00 1.23 H new ATOM 0 HH11 ARG A 19 7.980 21.181 -8.452 1.00 34.02 H new ATOM 0 HH12 ARG A 19 9.200 22.439 -8.228 1.00 34.02 H new ATOM 0 HH21 ARG A 19 9.627 21.795 -4.788 1.00 61.10 H new ATOM 0 HH22 ARG A 19 10.128 22.786 -6.162 1.00 61.10 H new ATOM 280 N ALA A 20 6.565 14.805 -6.002 1.00 3.31 N ATOM 281 CA ALA A 20 6.093 13.859 -7.005 1.00 44.23 C ATOM 282 C ALA A 20 5.018 12.942 -6.432 1.00 42.14 C ATOM 283 O ALA A 20 3.859 12.995 -6.844 1.00 62.22 O ATOM 284 CB ALA A 20 7.256 13.040 -7.546 1.00 32.53 C ATOM 0 H ALA A 20 7.549 14.701 -5.755 1.00 3.31 H new ATOM 0 HA ALA A 20 5.650 14.426 -7.824 1.00 44.23 H new ATOM 0 HB1 ALA A 20 6.889 12.337 -8.294 1.00 32.53 H new ATOM 0 HB2 ALA A 20 7.989 13.706 -8.002 1.00 32.53 H new ATOM 0 HB3 ALA A 20 7.724 12.489 -6.730 1.00 32.53 H new ATOM 290 N PHE A 21 5.410 12.101 -5.481 1.00 11.23 N ATOM 291 CA PHE A 21 4.479 11.171 -4.852 1.00 64.34 C ATOM 292 C PHE A 21 3.228 11.897 -4.368 1.00 1.14 C ATOM 293 O PHE A 21 2.106 11.454 -4.612 1.00 40.03 O ATOM 294 CB PHE A 21 5.154 10.455 -3.680 1.00 10.50 C ATOM 295 CG PHE A 21 5.932 9.237 -4.088 1.00 50.35 C ATOM 296 CD1 PHE A 21 7.115 9.361 -4.799 1.00 21.32 C ATOM 297 CD2 PHE A 21 5.480 7.969 -3.763 1.00 33.24 C ATOM 298 CE1 PHE A 21 7.834 8.242 -5.176 1.00 33.20 C ATOM 299 CE2 PHE A 21 6.194 6.846 -4.137 1.00 1.43 C ATOM 300 CZ PHE A 21 7.372 6.983 -4.845 1.00 71.02 C ATOM 0 H PHE A 21 6.366 12.044 -5.129 1.00 11.23 H new ATOM 0 HA PHE A 21 4.183 10.433 -5.597 1.00 64.34 H new ATOM 0 HB2 PHE A 21 5.824 11.152 -3.176 1.00 10.50 H new ATOM 0 HB3 PHE A 21 4.393 10.164 -2.956 1.00 10.50 H new ATOM 0 HD1 PHE A 21 7.479 10.343 -5.062 1.00 21.32 H new ATOM 0 HD2 PHE A 21 4.559 7.856 -3.211 1.00 33.24 H new ATOM 0 HE1 PHE A 21 8.755 8.352 -5.728 1.00 33.20 H new ATOM 0 HE2 PHE A 21 5.831 5.863 -3.876 1.00 1.43 H new ATOM 0 HZ PHE A 21 7.931 6.107 -5.139 1.00 71.02 H new ATOM 310 N SER A 22 3.430 13.015 -3.678 1.00 50.41 N ATOM 311 CA SER A 22 2.319 13.802 -3.154 1.00 62.35 C ATOM 312 C SER A 22 1.409 14.275 -4.284 1.00 11.13 C ATOM 313 O SER A 22 0.184 14.243 -4.163 1.00 50.34 O ATOM 314 CB SER A 22 2.844 15.005 -2.369 1.00 21.01 C ATOM 315 OG SER A 22 1.800 15.641 -1.652 1.00 21.54 O ATOM 0 H SER A 22 4.353 13.396 -3.469 1.00 50.41 H new ATOM 0 HA SER A 22 1.739 13.166 -2.485 1.00 62.35 H new ATOM 0 HB2 SER A 22 3.620 14.680 -1.676 1.00 21.01 H new ATOM 0 HB3 SER A 22 3.305 15.717 -3.054 1.00 21.01 H new ATOM 0 HG SER A 22 2.162 16.406 -1.157 1.00 21.54 H new ATOM 321 N TYR A 23 2.017 14.714 -5.380 1.00 73.22 N ATOM 322 CA TYR A 23 1.263 15.197 -6.531 1.00 35.51 C ATOM 323 C TYR A 23 0.344 14.107 -7.077 1.00 4.04 C ATOM 324 O TYR A 23 -0.814 14.363 -7.407 1.00 44.23 O ATOM 325 CB TYR A 23 2.216 15.673 -7.628 1.00 75.25 C ATOM 326 CG TYR A 23 2.437 17.168 -7.631 1.00 1.50 C ATOM 327 CD1 TYR A 23 2.623 17.865 -6.444 1.00 2.25 C ATOM 328 CD2 TYR A 23 2.461 17.885 -8.821 1.00 61.25 C ATOM 329 CE1 TYR A 23 2.825 19.232 -6.441 1.00 61.23 C ATOM 330 CE2 TYR A 23 2.664 19.251 -8.829 1.00 11.31 C ATOM 331 CZ TYR A 23 2.845 19.920 -7.636 1.00 52.33 C ATOM 332 OH TYR A 23 3.047 21.281 -7.638 1.00 41.44 O ATOM 0 H TYR A 23 3.030 14.745 -5.496 1.00 73.22 H new ATOM 0 HA TYR A 23 0.648 16.036 -6.204 1.00 35.51 H new ATOM 0 HB2 TYR A 23 3.177 15.172 -7.506 1.00 75.25 H new ATOM 0 HB3 TYR A 23 1.820 15.371 -8.598 1.00 75.25 H new ATOM 0 HD1 TYR A 23 2.610 17.329 -5.507 1.00 2.25 H new ATOM 0 HD2 TYR A 23 2.318 17.365 -9.757 1.00 61.25 H new ATOM 0 HE1 TYR A 23 2.966 19.758 -5.509 1.00 61.23 H new ATOM 0 HE2 TYR A 23 2.681 19.792 -9.763 1.00 11.31 H new ATOM 0 HH TYR A 23 3.034 21.612 -8.560 1.00 41.44 H new ATOM 342 N TYR A 24 0.870 12.891 -7.167 1.00 61.50 N ATOM 343 CA TYR A 24 0.100 11.761 -7.674 1.00 31.11 C ATOM 344 C TYR A 24 -0.964 11.332 -6.668 1.00 61.31 C ATOM 345 O TYR A 24 -2.065 10.933 -7.044 1.00 73.12 O ATOM 346 CB TYR A 24 1.026 10.584 -7.987 1.00 2.54 C ATOM 347 CG TYR A 24 1.662 10.662 -9.356 1.00 70.22 C ATOM 348 CD1 TYR A 24 2.674 11.575 -9.623 1.00 65.14 C ATOM 349 CD2 TYR A 24 1.251 9.821 -10.383 1.00 34.20 C ATOM 350 CE1 TYR A 24 3.257 11.649 -10.874 1.00 5.44 C ATOM 351 CE2 TYR A 24 1.829 9.887 -11.636 1.00 10.22 C ATOM 352 CZ TYR A 24 2.832 10.803 -11.876 1.00 55.43 C ATOM 353 OH TYR A 24 3.411 10.874 -13.123 1.00 32.45 O ATOM 0 H TYR A 24 1.826 12.662 -6.896 1.00 61.50 H new ATOM 0 HA TYR A 24 -0.398 12.076 -8.591 1.00 31.11 H new ATOM 0 HB2 TYR A 24 1.812 10.540 -7.233 1.00 2.54 H new ATOM 0 HB3 TYR A 24 0.459 9.656 -7.911 1.00 2.54 H new ATOM 0 HD1 TYR A 24 3.011 12.238 -8.840 1.00 65.14 H new ATOM 0 HD2 TYR A 24 0.466 9.103 -10.198 1.00 34.20 H new ATOM 0 HE1 TYR A 24 4.042 12.366 -11.066 1.00 5.44 H new ATOM 0 HE2 TYR A 24 1.498 9.226 -12.423 1.00 10.22 H new ATOM 0 HH TYR A 24 4.341 11.170 -13.035 1.00 32.45 H new ATOM 363 N GLY A 25 -0.625 11.418 -5.385 1.00 72.31 N ATOM 364 CA GLY A 25 -1.561 11.036 -4.344 1.00 21.23 C ATOM 365 C GLY A 25 -0.903 10.932 -2.982 1.00 65.03 C ATOM 366 O GLY A 25 0.312 10.766 -2.867 1.00 70.14 O ATOM 0 H GLY A 25 0.281 11.745 -5.048 1.00 72.31 H new ATOM 0 HA2 GLY A 25 -2.368 11.767 -4.299 1.00 21.23 H new ATOM 0 HA3 GLY A 25 -2.013 10.078 -4.600 1.00 21.23 H new ATOM 370 N PRO A 26 -1.714 11.033 -1.919 1.00 60.40 N ATOM 371 CA PRO A 26 -1.225 10.953 -0.539 1.00 63.05 C ATOM 372 C PRO A 26 -0.755 9.550 -0.171 1.00 63.12 C ATOM 373 O PRO A 26 -1.556 8.619 -0.081 1.00 15.10 O ATOM 374 CB PRO A 26 -2.448 11.343 0.294 1.00 40.11 C ATOM 375 CG PRO A 26 -3.616 10.999 -0.564 1.00 72.21 C ATOM 376 CD PRO A 26 -3.172 11.231 -1.982 1.00 3.33 C ATOM 0 HA PRO A 26 -0.359 11.595 -0.376 1.00 63.05 H new ATOM 0 HB2 PRO A 26 -2.475 10.797 1.237 1.00 40.11 H new ATOM 0 HB3 PRO A 26 -2.437 12.405 0.541 1.00 40.11 H new ATOM 0 HG2 PRO A 26 -3.918 9.962 -0.414 1.00 72.21 H new ATOM 0 HG3 PRO A 26 -4.477 11.620 -0.318 1.00 72.21 H new ATOM 0 HD2 PRO A 26 -3.643 10.530 -2.671 1.00 3.33 H new ATOM 0 HD3 PRO A 26 -3.427 12.234 -2.324 1.00 3.33 H new ATOM 384 N LEU A 27 0.549 9.404 0.041 1.00 15.31 N ATOM 385 CA LEU A 27 1.126 8.114 0.401 1.00 73.33 C ATOM 386 C LEU A 27 1.081 7.899 1.910 1.00 32.41 C ATOM 387 O LEU A 27 0.583 8.745 2.653 1.00 23.21 O ATOM 388 CB LEU A 27 2.570 8.022 -0.096 1.00 55.32 C ATOM 389 CG LEU A 27 3.408 9.294 0.040 1.00 21.43 C ATOM 390 CD1 LEU A 27 3.421 9.772 1.484 1.00 52.33 C ATOM 391 CD2 LEU A 27 4.826 9.053 -0.456 1.00 63.12 C ATOM 0 H LEU A 27 1.226 10.163 -0.030 1.00 15.31 H new ATOM 0 HA LEU A 27 0.534 7.333 -0.076 1.00 73.33 H new ATOM 0 HB2 LEU A 27 3.070 7.221 0.448 1.00 55.32 H new ATOM 0 HB3 LEU A 27 2.554 7.732 -1.147 1.00 55.32 H new ATOM 0 HG LEU A 27 2.956 10.072 -0.575 1.00 21.43 H new ATOM 0 HD11 LEU A 27 4.022 10.678 1.562 1.00 52.33 H new ATOM 0 HD12 LEU A 27 2.402 9.984 1.806 1.00 52.33 H new ATOM 0 HD13 LEU A 27 3.849 8.997 2.120 1.00 52.33 H new ATOM 0 HD21 LEU A 27 5.408 9.968 -0.352 1.00 63.12 H new ATOM 0 HD22 LEU A 27 5.288 8.260 0.133 1.00 63.12 H new ATOM 0 HD23 LEU A 27 4.799 8.757 -1.505 1.00 63.12 H new ATOM 403 N ARG A 28 1.605 6.762 2.357 1.00 44.05 N ATOM 404 CA ARG A 28 1.626 6.436 3.777 1.00 1.34 C ATOM 405 C ARG A 28 2.802 7.114 4.474 1.00 45.44 C ATOM 406 O ARG A 28 2.636 7.767 5.504 1.00 1.54 O ATOM 407 CB ARG A 28 1.708 4.921 3.974 1.00 13.40 C ATOM 408 CG ARG A 28 0.553 4.349 4.779 1.00 31.35 C ATOM 409 CD ARG A 28 0.996 3.939 6.175 1.00 3.53 C ATOM 410 NE ARG A 28 0.079 4.422 7.204 1.00 5.54 N ATOM 411 CZ ARG A 28 -1.108 3.877 7.446 1.00 43.44 C ATOM 412 NH1 ARG A 28 -1.519 2.836 6.735 1.00 14.25 N ATOM 413 NH2 ARG A 28 -1.885 4.374 8.399 1.00 35.43 N ATOM 0 H ARG A 28 2.021 6.051 1.755 1.00 44.05 H new ATOM 0 HA ARG A 28 0.701 6.804 4.221 1.00 1.34 H new ATOM 0 HB2 ARG A 28 1.734 4.437 2.998 1.00 13.40 H new ATOM 0 HB3 ARG A 28 2.645 4.678 4.476 1.00 13.40 H new ATOM 0 HG2 ARG A 28 -0.243 5.090 4.852 1.00 31.35 H new ATOM 0 HG3 ARG A 28 0.138 3.485 4.259 1.00 31.35 H new ATOM 0 HD2 ARG A 28 1.062 2.852 6.230 1.00 3.53 H new ATOM 0 HD3 ARG A 28 1.995 4.330 6.368 1.00 3.53 H new ATOM 0 HE ARG A 28 0.366 5.222 7.768 1.00 5.54 H new ATOM 0 HH11 ARG A 28 -0.923 2.453 6.001 1.00 14.25 H new ATOM 0 HH12 ARG A 28 -2.431 2.419 6.922 1.00 14.25 H new ATOM 0 HH21 ARG A 28 -1.571 5.175 8.947 1.00 35.43 H new ATOM 0 HH22 ARG A 28 -2.796 3.955 8.584 1.00 35.43 H new ATOM 427 N THR A 29 3.993 6.955 3.904 1.00 71.33 N ATOM 428 CA THR A 29 5.197 7.549 4.470 1.00 42.34 C ATOM 429 C THR A 29 6.332 7.568 3.452 1.00 72.33 C ATOM 430 O THR A 29 6.272 6.887 2.428 1.00 53.24 O ATOM 431 CB THR A 29 5.662 6.789 5.726 1.00 61.01 C ATOM 432 OG1 THR A 29 5.173 5.444 5.693 1.00 21.53 O ATOM 433 CG2 THR A 29 5.173 7.481 6.989 1.00 0.12 C ATOM 0 H THR A 29 4.149 6.419 3.050 1.00 71.33 H new ATOM 0 HA THR A 29 4.944 8.572 4.747 1.00 42.34 H new ATOM 0 HB THR A 29 6.752 6.779 5.735 1.00 61.01 H new ATOM 0 HG1 THR A 29 5.474 4.967 6.494 1.00 21.53 H new ATOM 0 HG21 THR A 29 5.514 6.926 7.863 1.00 0.12 H new ATOM 0 HG22 THR A 29 5.571 8.495 7.025 1.00 0.12 H new ATOM 0 HG23 THR A 29 4.084 7.518 6.985 1.00 0.12 H new ATOM 441 N VAL A 30 7.367 8.351 3.740 1.00 33.41 N ATOM 442 CA VAL A 30 8.517 8.456 2.850 1.00 12.02 C ATOM 443 C VAL A 30 9.819 8.212 3.604 1.00 22.11 C ATOM 444 O VAL A 30 9.948 8.572 4.774 1.00 34.12 O ATOM 445 CB VAL A 30 8.579 9.839 2.175 1.00 71.13 C ATOM 446 CG1 VAL A 30 9.829 9.959 1.317 1.00 62.42 C ATOM 447 CG2 VAL A 30 7.328 10.083 1.345 1.00 75.31 C ATOM 0 H VAL A 30 7.432 8.922 4.583 1.00 33.41 H new ATOM 0 HA VAL A 30 8.396 7.691 2.083 1.00 12.02 H new ATOM 0 HB VAL A 30 8.626 10.601 2.952 1.00 71.13 H new ATOM 0 HG11 VAL A 30 9.855 10.943 0.848 1.00 62.42 H new ATOM 0 HG12 VAL A 30 10.713 9.831 1.942 1.00 62.42 H new ATOM 0 HG13 VAL A 30 9.816 9.189 0.545 1.00 62.42 H new ATOM 0 HG21 VAL A 30 7.389 11.065 0.875 1.00 75.31 H new ATOM 0 HG22 VAL A 30 7.247 9.316 0.574 1.00 75.31 H new ATOM 0 HG23 VAL A 30 6.450 10.043 1.990 1.00 75.31 H new ATOM 457 N TRP A 31 10.782 7.599 2.926 1.00 25.20 N ATOM 458 CA TRP A 31 12.077 7.307 3.532 1.00 34.31 C ATOM 459 C TRP A 31 13.192 7.375 2.494 1.00 14.44 C ATOM 460 O TRP A 31 12.969 7.112 1.312 1.00 15.14 O ATOM 461 CB TRP A 31 12.056 5.924 4.186 1.00 2.10 C ATOM 462 CG TRP A 31 12.948 5.821 5.386 1.00 44.31 C ATOM 463 CD1 TRP A 31 12.633 6.153 6.673 1.00 40.24 C ATOM 464 CD2 TRP A 31 14.303 5.357 5.410 1.00 75.04 C ATOM 465 NE1 TRP A 31 13.710 5.923 7.495 1.00 53.12 N ATOM 466 CE2 TRP A 31 14.746 5.434 6.744 1.00 31.34 C ATOM 467 CE3 TRP A 31 15.183 4.882 4.434 1.00 72.12 C ATOM 468 CZ2 TRP A 31 16.030 5.054 7.125 1.00 44.22 C ATOM 469 CZ3 TRP A 31 16.457 4.506 4.813 1.00 64.11 C ATOM 470 CH2 TRP A 31 16.871 4.593 6.149 1.00 64.12 C ATOM 0 H TRP A 31 10.691 7.294 1.957 1.00 25.20 H new ATOM 0 HA TRP A 31 12.271 8.060 4.296 1.00 34.31 H new ATOM 0 HB2 TRP A 31 11.034 5.685 4.480 1.00 2.10 H new ATOM 0 HB3 TRP A 31 12.359 5.178 3.452 1.00 2.10 H new ATOM 0 HD1 TRP A 31 11.678 6.539 6.997 1.00 40.24 H new ATOM 0 HE1 TRP A 31 13.734 6.089 8.501 1.00 53.12 H new ATOM 0 HE3 TRP A 31 14.873 4.810 3.402 1.00 72.12 H new ATOM 0 HZ2 TRP A 31 16.351 5.121 8.154 1.00 44.22 H new ATOM 0 HZ3 TRP A 31 17.146 4.139 4.067 1.00 64.11 H new ATOM 0 HH2 TRP A 31 17.873 4.290 6.413 1.00 64.12 H new ATOM 481 N ILE A 32 14.391 7.730 2.943 1.00 32.04 N ATOM 482 CA ILE A 32 15.540 7.831 2.053 1.00 41.43 C ATOM 483 C ILE A 32 16.793 7.256 2.704 1.00 31.41 C ATOM 484 O ILE A 32 17.013 7.421 3.903 1.00 22.04 O ATOM 485 CB ILE A 32 15.811 9.292 1.647 1.00 1.35 C ATOM 486 CG1 ILE A 32 14.679 9.817 0.763 1.00 53.54 C ATOM 487 CG2 ILE A 32 17.147 9.403 0.929 1.00 43.54 C ATOM 488 CD1 ILE A 32 13.946 11.000 1.357 1.00 22.00 C ATOM 0 H ILE A 32 14.592 7.952 3.918 1.00 32.04 H new ATOM 0 HA ILE A 32 15.299 7.253 1.161 1.00 41.43 H new ATOM 0 HB ILE A 32 15.854 9.902 2.549 1.00 1.35 H new ATOM 0 HG12 ILE A 32 15.089 10.103 -0.206 1.00 53.54 H new ATOM 0 HG13 ILE A 32 13.967 9.012 0.583 1.00 53.54 H new ATOM 0 HG21 ILE A 32 17.324 10.441 0.649 1.00 43.54 H new ATOM 0 HG22 ILE A 32 17.945 9.065 1.590 1.00 43.54 H new ATOM 0 HG23 ILE A 32 17.131 8.783 0.033 1.00 43.54 H new ATOM 0 HD11 ILE A 32 13.157 11.319 0.676 1.00 22.00 H new ATOM 0 HD12 ILE A 32 13.506 10.713 2.312 1.00 22.00 H new ATOM 0 HD13 ILE A 32 14.646 11.821 1.511 1.00 22.00 H new ATOM 500 N ALA A 33 17.612 6.580 1.904 1.00 12.14 N ATOM 501 CA ALA A 33 18.845 5.983 2.402 1.00 51.01 C ATOM 502 C ALA A 33 20.063 6.777 1.944 1.00 43.24 C ATOM 503 O ALA A 33 20.463 6.703 0.781 1.00 12.54 O ATOM 504 CB ALA A 33 18.953 4.536 1.944 1.00 11.10 C ATOM 0 H ALA A 33 17.444 6.432 0.909 1.00 12.14 H new ATOM 0 HA ALA A 33 18.817 6.007 3.491 1.00 51.01 H new ATOM 0 HB1 ALA A 33 19.878 4.103 2.323 1.00 11.10 H new ATOM 0 HB2 ALA A 33 18.104 3.969 2.326 1.00 11.10 H new ATOM 0 HB3 ALA A 33 18.954 4.498 0.855 1.00 11.10 H new ATOM 510 N ARG A 34 20.649 7.537 2.864 1.00 62.35 N ATOM 511 CA ARG A 34 21.821 8.346 2.553 1.00 41.24 C ATOM 512 C ARG A 34 23.067 7.474 2.427 1.00 33.20 C ATOM 513 O ARG A 34 24.034 7.847 1.765 1.00 51.51 O ATOM 514 CB ARG A 34 22.036 9.407 3.633 1.00 14.54 C ATOM 515 CG ARG A 34 22.041 10.830 3.098 1.00 62.24 C ATOM 516 CD ARG A 34 22.070 11.850 4.225 1.00 24.32 C ATOM 517 NE ARG A 34 21.941 13.217 3.730 1.00 53.43 N ATOM 518 CZ ARG A 34 21.611 14.249 4.498 1.00 1.44 C ATOM 519 NH1 ARG A 34 21.380 14.070 5.791 1.00 34.24 N ATOM 520 NH2 ARG A 34 21.513 15.464 3.974 1.00 41.31 N ATOM 0 H ARG A 34 20.331 7.609 3.830 1.00 62.35 H new ATOM 0 HA ARG A 34 21.646 8.840 1.597 1.00 41.24 H new ATOM 0 HB2 ARG A 34 21.251 9.313 4.384 1.00 14.54 H new ATOM 0 HB3 ARG A 34 22.983 9.214 4.136 1.00 14.54 H new ATOM 0 HG2 ARG A 34 22.908 10.974 2.453 1.00 62.24 H new ATOM 0 HG3 ARG A 34 21.156 10.991 2.483 1.00 62.24 H new ATOM 0 HD2 ARG A 34 21.261 11.640 4.925 1.00 24.32 H new ATOM 0 HD3 ARG A 34 23.004 11.752 4.779 1.00 24.32 H new ATOM 0 HE ARG A 34 22.114 13.389 2.740 1.00 53.43 H new ATOM 0 HH11 ARG A 34 21.456 13.138 6.198 1.00 34.24 H new ATOM 0 HH12 ARG A 34 21.127 14.864 6.379 1.00 34.24 H new ATOM 0 HH21 ARG A 34 21.691 15.607 2.980 1.00 41.31 H new ATOM 0 HH22 ARG A 34 21.259 16.255 4.565 1.00 41.31 H new ATOM 534 N ASN A 35 23.035 6.310 3.068 1.00 31.01 N ATOM 535 CA ASN A 35 24.162 5.385 3.029 1.00 34.20 C ATOM 536 C ASN A 35 24.633 5.161 1.595 1.00 14.42 C ATOM 537 O ASN A 35 25.774 5.453 1.238 1.00 41.12 O ATOM 538 CB ASN A 35 23.773 4.048 3.664 1.00 1.22 C ATOM 539 CG ASN A 35 24.465 3.817 4.994 1.00 62.14 C ATOM 540 OD1 ASN A 35 24.211 4.523 5.969 1.00 2.14 O ATOM 541 ND2 ASN A 35 25.346 2.824 5.037 1.00 33.31 N ATOM 0 H ASN A 35 22.241 5.985 3.620 1.00 31.01 H new ATOM 0 HA ASN A 35 24.981 5.826 3.597 1.00 34.20 H new ATOM 0 HB2 ASN A 35 22.693 4.018 3.809 1.00 1.22 H new ATOM 0 HB3 ASN A 35 24.025 3.237 2.981 1.00 1.22 H new ATOM 0 HD21 ASN A 35 25.844 2.621 5.904 1.00 33.31 H new ATOM 0 HD22 ASN A 35 25.525 2.264 4.203 1.00 33.31 H new ATOM 548 N PRO A 36 23.733 4.632 0.753 1.00 62.13 N ATOM 549 CA PRO A 36 24.033 4.359 -0.656 1.00 21.40 C ATOM 550 C PRO A 36 24.192 5.636 -1.473 1.00 41.12 C ATOM 551 O PRO A 36 23.873 6.735 -1.020 1.00 1.51 O ATOM 552 CB PRO A 36 22.812 3.568 -1.132 1.00 13.03 C ATOM 553 CG PRO A 36 21.710 3.989 -0.221 1.00 61.43 C ATOM 554 CD PRO A 36 22.354 4.260 1.110 1.00 20.22 C ATOM 0 HA PRO A 36 24.976 3.826 -0.776 1.00 21.40 H new ATOM 0 HB2 PRO A 36 22.575 3.794 -2.172 1.00 13.03 H new ATOM 0 HB3 PRO A 36 22.988 2.494 -1.071 1.00 13.03 H new ATOM 0 HG2 PRO A 36 21.209 4.879 -0.600 1.00 61.43 H new ATOM 0 HG3 PRO A 36 20.954 3.209 -0.137 1.00 61.43 H new ATOM 0 HD2 PRO A 36 21.847 5.063 1.645 1.00 20.22 H new ATOM 0 HD3 PRO A 36 22.329 3.381 1.755 1.00 20.22 H new ATOM 562 N PRO A 37 24.697 5.491 -2.708 1.00 15.05 N ATOM 563 CA PRO A 37 24.908 6.623 -3.614 1.00 42.24 C ATOM 564 C PRO A 37 23.596 7.218 -4.114 1.00 44.54 C ATOM 565 O PRO A 37 23.564 8.342 -4.613 1.00 52.54 O ATOM 566 CB PRO A 37 25.692 6.006 -4.775 1.00 42.12 C ATOM 567 CG PRO A 37 25.322 4.563 -4.758 1.00 11.22 C ATOM 568 CD PRO A 37 25.099 4.210 -3.313 1.00 54.42 C ATOM 0 HA PRO A 37 25.425 7.448 -3.123 1.00 42.24 H new ATOM 0 HB2 PRO A 37 25.426 6.472 -5.724 1.00 42.12 H new ATOM 0 HB3 PRO A 37 26.766 6.141 -4.644 1.00 42.12 H new ATOM 0 HG2 PRO A 37 24.422 4.384 -5.347 1.00 11.22 H new ATOM 0 HG3 PRO A 37 26.114 3.952 -5.191 1.00 11.22 H new ATOM 0 HD2 PRO A 37 24.325 3.451 -3.199 1.00 54.42 H new ATOM 0 HD3 PRO A 37 26.004 3.814 -2.852 1.00 54.42 H new ATOM 576 N GLY A 38 22.515 6.457 -3.977 1.00 23.34 N ATOM 577 CA GLY A 38 21.215 6.927 -4.419 1.00 24.51 C ATOM 578 C GLY A 38 20.147 5.855 -4.321 1.00 5.34 C ATOM 579 O GLY A 38 19.800 5.222 -5.317 1.00 73.24 O ATOM 0 H GLY A 38 22.516 5.523 -3.568 1.00 23.34 H new ATOM 0 HA2 GLY A 38 20.919 7.787 -3.818 1.00 24.51 H new ATOM 0 HA3 GLY A 38 21.288 7.270 -5.451 1.00 24.51 H new ATOM 583 N PHE A 39 19.626 5.650 -3.115 1.00 43.55 N ATOM 584 CA PHE A 39 18.593 4.646 -2.890 1.00 3.21 C ATOM 585 C PHE A 39 17.623 5.099 -1.803 1.00 31.22 C ATOM 586 O PHE A 39 18.023 5.362 -0.669 1.00 72.31 O ATOM 587 CB PHE A 39 19.228 3.310 -2.499 1.00 0.04 C ATOM 588 CG PHE A 39 19.107 2.255 -3.561 1.00 33.13 C ATOM 589 CD1 PHE A 39 19.879 2.317 -4.709 1.00 51.44 C ATOM 590 CD2 PHE A 39 18.220 1.201 -3.411 1.00 31.14 C ATOM 591 CE1 PHE A 39 19.770 1.348 -5.689 1.00 20.14 C ATOM 592 CE2 PHE A 39 18.107 0.228 -4.386 1.00 40.41 C ATOM 593 CZ PHE A 39 18.882 0.303 -5.527 1.00 20.40 C ATOM 0 H PHE A 39 19.902 6.166 -2.279 1.00 43.55 H new ATOM 0 HA PHE A 39 18.036 4.518 -3.818 1.00 3.21 H new ATOM 0 HB2 PHE A 39 20.283 3.470 -2.275 1.00 0.04 H new ATOM 0 HB3 PHE A 39 18.759 2.948 -1.584 1.00 0.04 H new ATOM 0 HD1 PHE A 39 20.575 3.132 -4.840 1.00 51.44 H new ATOM 0 HD2 PHE A 39 17.610 1.139 -2.522 1.00 31.14 H new ATOM 0 HE1 PHE A 39 20.378 1.408 -6.579 1.00 20.14 H new ATOM 0 HE2 PHE A 39 17.414 -0.590 -4.256 1.00 40.41 H new ATOM 0 HZ PHE A 39 18.794 -0.455 -6.291 1.00 20.40 H new ATOM 603 N ALA A 40 16.345 5.188 -2.158 1.00 64.32 N ATOM 604 CA ALA A 40 15.317 5.607 -1.214 1.00 22.12 C ATOM 605 C ALA A 40 14.122 4.660 -1.247 1.00 43.01 C ATOM 606 O ALA A 40 13.931 3.920 -2.212 1.00 71.40 O ATOM 607 CB ALA A 40 14.873 7.031 -1.515 1.00 22.24 C ATOM 0 H ALA A 40 15.997 4.975 -3.093 1.00 64.32 H new ATOM 0 HA ALA A 40 15.744 5.575 -0.212 1.00 22.12 H new ATOM 0 HB1 ALA A 40 14.105 7.331 -0.802 1.00 22.24 H new ATOM 0 HB2 ALA A 40 15.727 7.703 -1.433 1.00 22.24 H new ATOM 0 HB3 ALA A 40 14.469 7.080 -2.526 1.00 22.24 H new ATOM 613 N PHE A 41 13.321 4.688 -0.187 1.00 43.12 N ATOM 614 CA PHE A 41 12.145 3.831 -0.095 1.00 24.44 C ATOM 615 C PHE A 41 10.911 4.640 0.290 1.00 13.44 C ATOM 616 O PHE A 41 10.999 5.606 1.048 1.00 4.44 O ATOM 617 CB PHE A 41 12.379 2.718 0.929 1.00 31.22 C ATOM 618 CG PHE A 41 12.456 1.348 0.318 1.00 31.24 C ATOM 619 CD1 PHE A 41 13.651 0.869 -0.194 1.00 1.40 C ATOM 620 CD2 PHE A 41 11.333 0.539 0.256 1.00 31.51 C ATOM 621 CE1 PHE A 41 13.726 -0.391 -0.756 1.00 75.05 C ATOM 622 CE2 PHE A 41 11.401 -0.723 -0.305 1.00 4.22 C ATOM 623 CZ PHE A 41 12.599 -1.188 -0.813 1.00 12.42 C ATOM 0 H PHE A 41 13.465 5.295 0.620 1.00 43.12 H new ATOM 0 HA PHE A 41 11.974 3.385 -1.075 1.00 24.44 H new ATOM 0 HB2 PHE A 41 13.305 2.920 1.468 1.00 31.22 H new ATOM 0 HB3 PHE A 41 11.573 2.735 1.663 1.00 31.22 H new ATOM 0 HD1 PHE A 41 14.535 1.488 -0.153 1.00 1.40 H new ATOM 0 HD2 PHE A 41 10.394 0.898 0.650 1.00 31.51 H new ATOM 0 HE1 PHE A 41 14.664 -0.752 -1.150 1.00 75.05 H new ATOM 0 HE2 PHE A 41 10.519 -1.345 -0.346 1.00 4.22 H new ATOM 0 HZ PHE A 41 12.654 -2.172 -1.254 1.00 12.42 H new ATOM 633 N VAL A 42 9.759 4.239 -0.238 1.00 51.54 N ATOM 634 CA VAL A 42 8.505 4.926 0.049 1.00 4.42 C ATOM 635 C VAL A 42 7.371 3.931 0.268 1.00 41.53 C ATOM 636 O VAL A 42 7.352 2.856 -0.331 1.00 1.44 O ATOM 637 CB VAL A 42 8.118 5.888 -1.090 1.00 60.20 C ATOM 638 CG1 VAL A 42 6.790 6.565 -0.789 1.00 10.43 C ATOM 639 CG2 VAL A 42 9.214 6.919 -1.312 1.00 50.20 C ATOM 0 H VAL A 42 9.668 3.441 -0.867 1.00 51.54 H new ATOM 0 HA VAL A 42 8.661 5.501 0.962 1.00 4.42 H new ATOM 0 HB VAL A 42 8.004 5.310 -2.007 1.00 60.20 H new ATOM 0 HG11 VAL A 42 6.533 7.241 -1.605 1.00 10.43 H new ATOM 0 HG12 VAL A 42 6.012 5.809 -0.685 1.00 10.43 H new ATOM 0 HG13 VAL A 42 6.872 7.131 0.139 1.00 10.43 H new ATOM 0 HG21 VAL A 42 8.924 7.590 -2.120 1.00 50.20 H new ATOM 0 HG22 VAL A 42 9.363 7.494 -0.398 1.00 50.20 H new ATOM 0 HG23 VAL A 42 10.142 6.412 -1.577 1.00 50.20 H new ATOM 649 N GLU A 43 6.427 4.298 1.129 1.00 50.44 N ATOM 650 CA GLU A 43 5.289 3.437 1.426 1.00 33.10 C ATOM 651 C GLU A 43 3.980 4.102 1.010 1.00 32.20 C ATOM 652 O GLU A 43 3.645 5.189 1.482 1.00 30.52 O ATOM 653 CB GLU A 43 5.251 3.101 2.918 1.00 1.14 C ATOM 654 CG GLU A 43 4.450 1.851 3.241 1.00 70.11 C ATOM 655 CD GLU A 43 4.010 1.798 4.691 1.00 21.01 C ATOM 656 OE1 GLU A 43 4.557 2.570 5.506 1.00 14.01 O ATOM 657 OE2 GLU A 43 3.118 0.984 5.010 1.00 24.15 O ATOM 0 H GLU A 43 6.428 5.185 1.633 1.00 50.44 H new ATOM 0 HA GLU A 43 5.405 2.515 0.856 1.00 33.10 H new ATOM 0 HB2 GLU A 43 6.271 2.971 3.279 1.00 1.14 H new ATOM 0 HB3 GLU A 43 4.826 3.945 3.461 1.00 1.14 H new ATOM 0 HG2 GLU A 43 3.571 1.811 2.597 1.00 70.11 H new ATOM 0 HG3 GLU A 43 5.051 0.970 3.015 1.00 70.11 H new ATOM 664 N PHE A 44 3.244 3.442 0.122 1.00 35.54 N ATOM 665 CA PHE A 44 1.972 3.968 -0.359 1.00 51.23 C ATOM 666 C PHE A 44 0.800 3.263 0.317 1.00 11.34 C ATOM 667 O PHE A 44 0.657 2.045 0.222 1.00 73.03 O ATOM 668 CB PHE A 44 1.871 3.807 -1.878 1.00 20.25 C ATOM 669 CG PHE A 44 1.788 5.113 -2.615 1.00 34.40 C ATOM 670 CD1 PHE A 44 0.832 6.056 -2.274 1.00 12.10 C ATOM 671 CD2 PHE A 44 2.665 5.397 -3.649 1.00 23.13 C ATOM 672 CE1 PHE A 44 0.753 7.258 -2.952 1.00 15.04 C ATOM 673 CE2 PHE A 44 2.591 6.598 -4.330 1.00 20.54 C ATOM 674 CZ PHE A 44 1.634 7.530 -3.980 1.00 30.42 C ATOM 0 H PHE A 44 3.507 2.542 -0.279 1.00 35.54 H new ATOM 0 HA PHE A 44 1.928 5.028 -0.109 1.00 51.23 H new ATOM 0 HB2 PHE A 44 2.739 3.252 -2.235 1.00 20.25 H new ATOM 0 HB3 PHE A 44 0.991 3.209 -2.114 1.00 20.25 H new ATOM 0 HD1 PHE A 44 0.141 5.850 -1.470 1.00 12.10 H new ATOM 0 HD2 PHE A 44 3.415 4.672 -3.927 1.00 23.13 H new ATOM 0 HE1 PHE A 44 0.002 7.984 -2.678 1.00 15.04 H new ATOM 0 HE2 PHE A 44 3.281 6.807 -5.134 1.00 20.54 H new ATOM 0 HZ PHE A 44 1.575 8.470 -4.509 1.00 30.42 H new ATOM 684 N GLU A 45 -0.035 4.040 1.001 1.00 22.45 N ATOM 685 CA GLU A 45 -1.193 3.489 1.695 1.00 13.44 C ATOM 686 C GLU A 45 -2.013 2.600 0.765 1.00 23.41 C ATOM 687 O GLU A 45 -2.599 1.606 1.196 1.00 41.31 O ATOM 688 CB GLU A 45 -2.070 4.617 2.244 1.00 52.14 C ATOM 689 CG GLU A 45 -2.794 5.405 1.165 1.00 71.34 C ATOM 690 CD GLU A 45 -3.498 6.632 1.711 1.00 64.03 C ATOM 691 OE1 GLU A 45 -2.931 7.290 2.609 1.00 64.45 O ATOM 692 OE2 GLU A 45 -4.614 6.935 1.241 1.00 33.42 O ATOM 0 H GLU A 45 0.069 5.051 1.089 1.00 22.45 H new ATOM 0 HA GLU A 45 -0.832 2.881 2.525 1.00 13.44 H new ATOM 0 HB2 GLU A 45 -2.805 4.194 2.928 1.00 52.14 H new ATOM 0 HB3 GLU A 45 -1.449 5.299 2.825 1.00 52.14 H new ATOM 0 HG2 GLU A 45 -2.078 5.711 0.402 1.00 71.34 H new ATOM 0 HG3 GLU A 45 -3.524 4.759 0.677 1.00 71.34 H new ATOM 699 N ASP A 46 -2.049 2.964 -0.512 1.00 22.31 N ATOM 700 CA ASP A 46 -2.795 2.199 -1.504 1.00 55.12 C ATOM 701 C ASP A 46 -1.900 1.810 -2.677 1.00 14.23 C ATOM 702 O ASP A 46 -0.969 2.527 -3.043 1.00 54.53 O ATOM 703 CB ASP A 46 -3.993 3.007 -2.007 1.00 1.34 C ATOM 704 CG ASP A 46 -5.224 2.815 -1.143 1.00 53.24 C ATOM 705 OD1 ASP A 46 -5.379 1.719 -0.566 1.00 31.34 O ATOM 706 OD2 ASP A 46 -6.033 3.762 -1.045 1.00 23.41 O ATOM 0 H ASP A 46 -1.570 3.784 -0.885 1.00 22.31 H new ATOM 0 HA ASP A 46 -3.155 1.287 -1.027 1.00 55.12 H new ATOM 0 HB2 ASP A 46 -3.730 4.065 -2.030 1.00 1.34 H new ATOM 0 HB3 ASP A 46 -4.222 2.713 -3.031 1.00 1.34 H new ATOM 711 N PRO A 47 -2.186 0.647 -3.279 1.00 75.44 N ATOM 712 CA PRO A 47 -1.419 0.136 -4.419 1.00 23.42 C ATOM 713 C PRO A 47 -1.641 0.958 -5.683 1.00 75.15 C ATOM 714 O PRO A 47 -0.694 1.278 -6.402 1.00 33.11 O ATOM 715 CB PRO A 47 -1.959 -1.285 -4.602 1.00 53.34 C ATOM 716 CG PRO A 47 -3.335 -1.243 -4.031 1.00 64.43 C ATOM 717 CD PRO A 47 -3.282 -0.260 -2.895 1.00 42.43 C ATOM 0 HA PRO A 47 -0.345 0.178 -4.239 1.00 23.42 H new ATOM 0 HB2 PRO A 47 -1.975 -1.570 -5.654 1.00 53.34 H new ATOM 0 HB3 PRO A 47 -1.337 -2.015 -4.084 1.00 53.34 H new ATOM 0 HG2 PRO A 47 -4.060 -0.932 -4.783 1.00 64.43 H new ATOM 0 HG3 PRO A 47 -3.642 -2.228 -3.680 1.00 64.43 H new ATOM 0 HD2 PRO A 47 -4.225 0.275 -2.782 1.00 42.43 H new ATOM 0 HD3 PRO A 47 -3.080 -0.754 -1.945 1.00 42.43 H new ATOM 725 N ARG A 48 -2.899 1.297 -5.949 1.00 44.24 N ATOM 726 CA ARG A 48 -3.245 2.082 -7.128 1.00 71.02 C ATOM 727 C ARG A 48 -2.363 3.322 -7.234 1.00 44.24 C ATOM 728 O ARG A 48 -1.820 3.621 -8.298 1.00 62.13 O ATOM 729 CB ARG A 48 -4.718 2.493 -7.078 1.00 43.54 C ATOM 730 CG ARG A 48 -5.189 3.222 -8.326 1.00 41.41 C ATOM 731 CD ARG A 48 -6.578 3.812 -8.136 1.00 4.02 C ATOM 732 NE ARG A 48 -7.525 2.827 -7.622 1.00 21.45 N ATOM 733 CZ ARG A 48 -8.803 3.093 -7.378 1.00 11.44 C ATOM 734 NH1 ARG A 48 -9.284 4.309 -7.601 1.00 33.45 N ATOM 735 NH2 ARG A 48 -9.603 2.143 -6.910 1.00 40.53 N ATOM 0 H ARG A 48 -3.694 1.040 -5.364 1.00 44.24 H new ATOM 0 HA ARG A 48 -3.077 1.462 -8.009 1.00 71.02 H new ATOM 0 HB2 ARG A 48 -5.330 1.603 -6.935 1.00 43.54 H new ATOM 0 HB3 ARG A 48 -4.879 3.133 -6.211 1.00 43.54 H new ATOM 0 HG2 ARG A 48 -4.485 4.017 -8.572 1.00 41.41 H new ATOM 0 HG3 ARG A 48 -5.198 2.532 -9.170 1.00 41.41 H new ATOM 0 HD2 ARG A 48 -6.523 4.655 -7.448 1.00 4.02 H new ATOM 0 HD3 ARG A 48 -6.940 4.201 -9.088 1.00 4.02 H new ATOM 0 HE ARG A 48 -7.186 1.882 -7.440 1.00 21.45 H new ATOM 0 HH11 ARG A 48 -8.672 5.042 -7.960 1.00 33.45 H new ATOM 0 HH12 ARG A 48 -10.266 4.511 -7.413 1.00 33.45 H new ATOM 0 HH21 ARG A 48 -9.236 1.207 -6.737 1.00 40.53 H new ATOM 0 HH22 ARG A 48 -10.584 2.349 -6.723 1.00 40.53 H new ATOM 749 N ASP A 49 -2.225 4.040 -6.125 1.00 43.43 N ATOM 750 CA ASP A 49 -1.408 5.248 -6.093 1.00 41.01 C ATOM 751 C ASP A 49 0.051 4.926 -6.400 1.00 22.40 C ATOM 752 O ASP A 49 0.750 5.713 -7.038 1.00 20.52 O ATOM 753 CB ASP A 49 -1.517 5.927 -4.727 1.00 23.43 C ATOM 754 CG ASP A 49 -2.954 6.082 -4.270 1.00 70.02 C ATOM 755 OD1 ASP A 49 -3.851 6.124 -5.138 1.00 65.23 O ATOM 756 OD2 ASP A 49 -3.182 6.163 -3.045 1.00 34.31 O ATOM 0 H ASP A 49 -2.668 3.807 -5.236 1.00 43.43 H new ATOM 0 HA ASP A 49 -1.780 5.929 -6.859 1.00 41.01 H new ATOM 0 HB2 ASP A 49 -0.965 5.344 -3.990 1.00 23.43 H new ATOM 0 HB3 ASP A 49 -1.046 6.909 -4.774 1.00 23.43 H new ATOM 761 N ALA A 50 0.504 3.764 -5.941 1.00 24.24 N ATOM 762 CA ALA A 50 1.880 3.337 -6.167 1.00 13.12 C ATOM 763 C ALA A 50 2.108 2.974 -7.630 1.00 61.21 C ATOM 764 O ALA A 50 3.159 3.274 -8.196 1.00 73.42 O ATOM 765 CB ALA A 50 2.221 2.157 -5.269 1.00 13.24 C ATOM 0 H ALA A 50 -0.062 3.101 -5.410 1.00 24.24 H new ATOM 0 HA ALA A 50 2.538 4.170 -5.919 1.00 13.12 H new ATOM 0 HB1 ALA A 50 3.251 1.849 -5.448 1.00 13.24 H new ATOM 0 HB2 ALA A 50 2.106 2.449 -4.225 1.00 13.24 H new ATOM 0 HB3 ALA A 50 1.550 1.326 -5.489 1.00 13.24 H new ATOM 771 N GLU A 51 1.118 2.326 -8.236 1.00 12.11 N ATOM 772 CA GLU A 51 1.213 1.921 -9.633 1.00 62.14 C ATOM 773 C GLU A 51 1.251 3.139 -10.552 1.00 11.24 C ATOM 774 O GLU A 51 2.076 3.219 -11.462 1.00 24.35 O ATOM 775 CB GLU A 51 0.033 1.022 -10.009 1.00 1.14 C ATOM 776 CG GLU A 51 0.429 -0.187 -10.838 1.00 60.55 C ATOM 777 CD GLU A 51 0.131 -1.499 -10.138 1.00 2.35 C ATOM 778 OE1 GLU A 51 0.622 -1.690 -9.005 1.00 61.22 O ATOM 779 OE2 GLU A 51 -0.592 -2.333 -10.721 1.00 20.03 O ATOM 0 H GLU A 51 0.241 2.071 -7.781 1.00 12.11 H new ATOM 0 HA GLU A 51 2.141 1.363 -9.759 1.00 62.14 H new ATOM 0 HB2 GLU A 51 -0.458 0.682 -9.098 1.00 1.14 H new ATOM 0 HB3 GLU A 51 -0.698 1.610 -10.565 1.00 1.14 H new ATOM 0 HG2 GLU A 51 -0.101 -0.159 -11.790 1.00 60.55 H new ATOM 0 HG3 GLU A 51 1.494 -0.134 -11.064 1.00 60.55 H new ATOM 786 N ASP A 52 0.351 4.085 -10.306 1.00 42.35 N ATOM 787 CA ASP A 52 0.281 5.300 -11.110 1.00 51.21 C ATOM 788 C ASP A 52 1.486 6.197 -10.846 1.00 23.01 C ATOM 789 O ASP A 52 1.984 6.867 -11.750 1.00 71.03 O ATOM 790 CB ASP A 52 -1.012 6.061 -10.811 1.00 2.02 C ATOM 791 CG ASP A 52 -2.164 5.612 -11.687 1.00 72.43 C ATOM 792 OD1 ASP A 52 -2.777 4.569 -11.374 1.00 65.25 O ATOM 793 OD2 ASP A 52 -2.454 6.303 -12.686 1.00 14.03 O ATOM 0 H ASP A 52 -0.340 4.034 -9.557 1.00 42.35 H new ATOM 0 HA ASP A 52 0.289 5.011 -12.161 1.00 51.21 H new ATOM 0 HB2 ASP A 52 -1.279 5.920 -9.764 1.00 2.02 H new ATOM 0 HB3 ASP A 52 -0.844 7.128 -10.956 1.00 2.02 H new ATOM 798 N ALA A 53 1.950 6.205 -9.600 1.00 70.24 N ATOM 799 CA ALA A 53 3.097 7.018 -9.218 1.00 2.35 C ATOM 800 C ALA A 53 4.390 6.448 -9.790 1.00 63.03 C ATOM 801 O ALA A 53 5.152 7.153 -10.452 1.00 5.35 O ATOM 802 CB ALA A 53 3.189 7.121 -7.702 1.00 41.23 C ATOM 0 H ALA A 53 1.549 5.657 -8.839 1.00 70.24 H new ATOM 0 HA ALA A 53 2.957 8.016 -9.632 1.00 2.35 H new ATOM 0 HB1 ALA A 53 4.050 7.731 -7.430 1.00 41.23 H new ATOM 0 HB2 ALA A 53 2.281 7.581 -7.313 1.00 41.23 H new ATOM 0 HB3 ALA A 53 3.302 6.124 -7.276 1.00 41.23 H new ATOM 808 N VAL A 54 4.632 5.167 -9.532 1.00 23.24 N ATOM 809 CA VAL A 54 5.833 4.501 -10.022 1.00 4.41 C ATOM 810 C VAL A 54 5.887 4.517 -11.545 1.00 45.54 C ATOM 811 O VAL A 54 6.934 4.782 -12.137 1.00 25.52 O ATOM 812 CB VAL A 54 5.907 3.043 -9.532 1.00 10.12 C ATOM 813 CG1 VAL A 54 7.011 2.290 -10.259 1.00 1.44 C ATOM 814 CG2 VAL A 54 6.121 2.998 -8.026 1.00 60.55 C ATOM 0 H VAL A 54 4.012 4.569 -8.986 1.00 23.24 H new ATOM 0 HA VAL A 54 6.685 5.053 -9.625 1.00 4.41 H new ATOM 0 HB VAL A 54 4.959 2.554 -9.756 1.00 10.12 H new ATOM 0 HG11 VAL A 54 7.048 1.262 -9.899 1.00 1.44 H new ATOM 0 HG12 VAL A 54 6.809 2.293 -11.330 1.00 1.44 H new ATOM 0 HG13 VAL A 54 7.968 2.775 -10.069 1.00 1.44 H new ATOM 0 HG21 VAL A 54 6.171 1.960 -7.696 1.00 60.55 H new ATOM 0 HG22 VAL A 54 7.054 3.503 -7.776 1.00 60.55 H new ATOM 0 HG23 VAL A 54 5.292 3.498 -7.526 1.00 60.55 H new ATOM 824 N ARG A 55 4.752 4.234 -12.175 1.00 62.33 N ATOM 825 CA ARG A 55 4.670 4.215 -13.631 1.00 21.32 C ATOM 826 C ARG A 55 4.849 5.618 -14.204 1.00 24.53 C ATOM 827 O ARG A 55 5.453 5.795 -15.261 1.00 22.12 O ATOM 828 CB ARG A 55 3.327 3.637 -14.080 1.00 34.24 C ATOM 829 CG ARG A 55 2.178 4.628 -13.992 1.00 35.22 C ATOM 830 CD ARG A 55 0.869 4.006 -14.455 1.00 2.15 C ATOM 831 NE ARG A 55 0.920 3.606 -15.858 1.00 73.21 N ATOM 832 CZ ARG A 55 0.940 4.468 -16.868 1.00 53.41 C ATOM 833 NH1 ARG A 55 0.914 5.773 -16.631 1.00 61.40 N ATOM 834 NH2 ARG A 55 0.986 4.027 -18.119 1.00 20.35 N ATOM 0 H ARG A 55 3.876 4.015 -11.700 1.00 62.33 H new ATOM 0 HA ARG A 55 5.474 3.582 -14.007 1.00 21.32 H new ATOM 0 HB2 ARG A 55 3.417 3.288 -15.109 1.00 34.24 H new ATOM 0 HB3 ARG A 55 3.093 2.766 -13.467 1.00 34.24 H new ATOM 0 HG2 ARG A 55 2.074 4.975 -12.964 1.00 35.22 H new ATOM 0 HG3 ARG A 55 2.403 5.502 -14.603 1.00 35.22 H new ATOM 0 HD2 ARG A 55 0.643 3.136 -13.838 1.00 2.15 H new ATOM 0 HD3 ARG A 55 0.058 4.719 -14.311 1.00 2.15 H new ATOM 0 HE ARG A 55 0.941 2.609 -16.074 1.00 73.21 H new ATOM 0 HH11 ARG A 55 0.879 6.116 -15.671 1.00 61.40 H new ATOM 0 HH12 ARG A 55 0.929 6.433 -17.409 1.00 61.40 H new ATOM 0 HH21 ARG A 55 1.006 3.024 -18.306 1.00 20.35 H new ATOM 0 HH22 ARG A 55 1.001 4.691 -18.893 1.00 20.35 H new ATOM 848 N GLY A 56 4.320 6.612 -13.498 1.00 34.02 N ATOM 849 CA GLY A 56 4.431 7.986 -13.952 1.00 22.21 C ATOM 850 C GLY A 56 5.828 8.546 -13.768 1.00 33.34 C ATOM 851 O GLY A 56 6.361 9.210 -14.657 1.00 52.32 O ATOM 0 H GLY A 56 3.816 6.491 -12.619 1.00 34.02 H new ATOM 0 HA2 GLY A 56 4.157 8.041 -15.006 1.00 22.21 H new ATOM 0 HA3 GLY A 56 3.720 8.605 -13.405 1.00 22.21 H new ATOM 855 N LEU A 57 6.422 8.279 -12.610 1.00 1.12 N ATOM 856 CA LEU A 57 7.765 8.763 -12.310 1.00 65.43 C ATOM 857 C LEU A 57 8.811 8.002 -13.120 1.00 11.03 C ATOM 858 O LEU A 57 9.709 8.601 -13.712 1.00 55.30 O ATOM 859 CB LEU A 57 8.058 8.620 -10.816 1.00 5.43 C ATOM 860 CG LEU A 57 7.104 9.353 -9.872 1.00 31.20 C ATOM 861 CD1 LEU A 57 7.189 8.771 -8.469 1.00 60.15 C ATOM 862 CD2 LEU A 57 7.412 10.843 -9.853 1.00 31.13 C ATOM 0 H LEU A 57 5.995 7.730 -11.864 1.00 1.12 H new ATOM 0 HA LEU A 57 7.815 9.817 -12.584 1.00 65.43 H new ATOM 0 HB2 LEU A 57 8.044 7.560 -10.563 1.00 5.43 H new ATOM 0 HB3 LEU A 57 9.070 8.979 -10.629 1.00 5.43 H new ATOM 0 HG LEU A 57 6.086 9.218 -10.238 1.00 31.20 H new ATOM 0 HD11 LEU A 57 6.503 9.305 -7.811 1.00 60.15 H new ATOM 0 HD12 LEU A 57 6.918 7.716 -8.496 1.00 60.15 H new ATOM 0 HD13 LEU A 57 8.207 8.875 -8.093 1.00 60.15 H new ATOM 0 HD21 LEU A 57 6.723 11.348 -9.176 1.00 31.13 H new ATOM 0 HD22 LEU A 57 8.436 10.999 -9.512 1.00 31.13 H new ATOM 0 HD23 LEU A 57 7.298 11.251 -10.857 1.00 31.13 H new ATOM 874 N ASP A 58 8.687 6.680 -13.142 1.00 60.40 N ATOM 875 CA ASP A 58 9.619 5.837 -13.882 1.00 23.33 C ATOM 876 C ASP A 58 9.378 5.948 -15.384 1.00 32.41 C ATOM 877 O ASP A 58 10.305 5.826 -16.183 1.00 24.33 O ATOM 878 CB ASP A 58 9.485 4.379 -13.437 1.00 42.33 C ATOM 879 CG ASP A 58 10.786 3.612 -13.570 1.00 32.32 C ATOM 880 OD1 ASP A 58 11.760 4.182 -14.103 1.00 44.43 O ATOM 881 OD2 ASP A 58 10.829 2.440 -13.139 1.00 45.52 O ATOM 0 H ASP A 58 7.950 6.169 -12.656 1.00 60.40 H new ATOM 0 HA ASP A 58 10.631 6.182 -13.669 1.00 23.33 H new ATOM 0 HB2 ASP A 58 9.152 4.348 -12.399 1.00 42.33 H new ATOM 0 HB3 ASP A 58 8.715 3.889 -14.033 1.00 42.33 H new ATOM 886 N GLY A 59 8.124 6.179 -15.761 1.00 71.33 N ATOM 887 CA GLY A 59 7.783 6.301 -17.167 1.00 33.25 C ATOM 888 C GLY A 59 7.945 7.717 -17.682 1.00 11.24 C ATOM 889 O GLY A 59 8.025 7.942 -18.889 1.00 64.45 O ATOM 0 H GLY A 59 7.339 6.284 -15.119 1.00 71.33 H new ATOM 0 HA2 GLY A 59 8.415 5.631 -17.750 1.00 33.25 H new ATOM 0 HA3 GLY A 59 6.753 5.979 -17.317 1.00 33.25 H new ATOM 893 N LYS A 60 7.991 8.677 -16.764 1.00 3.01 N ATOM 894 CA LYS A 60 8.144 10.080 -17.131 1.00 23.15 C ATOM 895 C LYS A 60 8.817 10.865 -16.009 1.00 51.10 C ATOM 896 O LYS A 60 8.282 10.972 -14.905 1.00 40.44 O ATOM 897 CB LYS A 60 6.781 10.696 -17.452 1.00 72.01 C ATOM 898 CG LYS A 60 6.844 12.179 -17.774 1.00 0.14 C ATOM 899 CD LYS A 60 7.748 12.454 -18.963 1.00 63.24 C ATOM 900 CE LYS A 60 7.804 13.938 -19.290 1.00 50.22 C ATOM 901 NZ LYS A 60 7.313 14.222 -20.667 1.00 63.23 N ATOM 0 H LYS A 60 7.924 8.509 -15.760 1.00 3.01 H new ATOM 0 HA LYS A 60 8.777 10.131 -18.017 1.00 23.15 H new ATOM 0 HB2 LYS A 60 6.343 10.167 -18.299 1.00 72.01 H new ATOM 0 HB3 LYS A 60 6.115 10.545 -16.603 1.00 72.01 H new ATOM 0 HG2 LYS A 60 5.841 12.549 -17.985 1.00 0.14 H new ATOM 0 HG3 LYS A 60 7.209 12.726 -16.904 1.00 0.14 H new ATOM 0 HD2 LYS A 60 8.753 12.089 -18.749 1.00 63.24 H new ATOM 0 HD3 LYS A 60 7.387 11.903 -19.831 1.00 63.24 H new ATOM 0 HE2 LYS A 60 7.203 14.492 -18.569 1.00 50.22 H new ATOM 0 HE3 LYS A 60 8.830 14.293 -19.190 1.00 50.22 H new ATOM 0 HZ1 LYS A 60 7.367 15.244 -20.851 1.00 63.23 H new ATOM 0 HZ2 LYS A 60 7.902 13.714 -21.357 1.00 63.23 H new ATOM 0 HZ3 LYS A 60 6.326 13.906 -20.756 1.00 63.23 H new ATOM 915 N VAL A 61 9.992 11.414 -16.299 1.00 63.14 N ATOM 916 CA VAL A 61 10.737 12.192 -15.316 1.00 74.31 C ATOM 917 C VAL A 61 9.840 13.219 -14.635 1.00 53.31 C ATOM 918 O VAL A 61 8.881 13.713 -15.230 1.00 61.52 O ATOM 919 CB VAL A 61 11.931 12.918 -15.962 1.00 65.45 C ATOM 920 CG1 VAL A 61 12.769 11.945 -16.778 1.00 44.15 C ATOM 921 CG2 VAL A 61 11.449 14.073 -16.826 1.00 74.01 C ATOM 0 H VAL A 61 10.449 11.334 -17.207 1.00 63.14 H new ATOM 0 HA VAL A 61 11.110 11.488 -14.572 1.00 74.31 H new ATOM 0 HB VAL A 61 12.558 13.325 -15.169 1.00 65.45 H new ATOM 0 HG11 VAL A 61 13.608 12.476 -17.227 1.00 44.15 H new ATOM 0 HG12 VAL A 61 13.145 11.155 -16.128 1.00 44.15 H new ATOM 0 HG13 VAL A 61 12.155 11.506 -17.564 1.00 44.15 H new ATOM 0 HG21 VAL A 61 12.307 14.574 -17.274 1.00 74.01 H new ATOM 0 HG22 VAL A 61 10.799 13.692 -17.613 1.00 74.01 H new ATOM 0 HG23 VAL A 61 10.895 14.782 -16.210 1.00 74.01 H new ATOM 931 N ILE A 62 10.158 13.538 -13.385 1.00 34.10 N ATOM 932 CA ILE A 62 9.381 14.508 -12.623 1.00 43.45 C ATOM 933 C ILE A 62 10.232 15.716 -12.243 1.00 33.54 C ATOM 934 O ILE A 62 11.291 15.573 -11.631 1.00 43.12 O ATOM 935 CB ILE A 62 8.797 13.882 -11.344 1.00 13.23 C ATOM 936 CG1 ILE A 62 8.132 14.957 -10.481 1.00 53.15 C ATOM 937 CG2 ILE A 62 9.886 13.165 -10.560 1.00 12.44 C ATOM 938 CD1 ILE A 62 9.025 15.488 -9.383 1.00 1.45 C ATOM 0 H ILE A 62 10.948 13.139 -12.878 1.00 34.10 H new ATOM 0 HA ILE A 62 8.562 14.831 -13.265 1.00 43.45 H new ATOM 0 HB ILE A 62 8.040 13.151 -11.628 1.00 13.23 H new ATOM 0 HG12 ILE A 62 7.824 15.785 -11.120 1.00 53.15 H new ATOM 0 HG13 ILE A 62 7.227 14.545 -10.035 1.00 53.15 H new ATOM 0 HG21 ILE A 62 9.457 12.728 -9.658 1.00 12.44 H new ATOM 0 HG22 ILE A 62 10.318 12.376 -11.176 1.00 12.44 H new ATOM 0 HG23 ILE A 62 10.664 13.877 -10.283 1.00 12.44 H new ATOM 0 HD11 ILE A 62 8.488 16.246 -8.812 1.00 1.45 H new ATOM 0 HD12 ILE A 62 9.313 14.671 -8.721 1.00 1.45 H new ATOM 0 HD13 ILE A 62 9.919 15.931 -9.823 1.00 1.45 H new ATOM 950 N CYS A 63 9.760 16.903 -12.606 1.00 70.23 N ATOM 951 CA CYS A 63 10.477 18.136 -12.302 1.00 13.22 C ATOM 952 C CYS A 63 11.952 18.013 -12.670 1.00 33.15 C ATOM 953 O CYS A 63 12.826 18.465 -11.932 1.00 10.24 O ATOM 954 CB CYS A 63 10.335 18.480 -10.818 1.00 64.33 C ATOM 955 SG CYS A 63 10.326 20.254 -10.469 1.00 25.31 S ATOM 0 H CYS A 63 8.884 17.038 -13.111 1.00 70.23 H new ATOM 0 HA CYS A 63 10.040 18.938 -12.897 1.00 13.22 H new ATOM 0 HB2 CYS A 63 9.411 18.042 -10.441 1.00 64.33 H new ATOM 0 HB3 CYS A 63 11.155 18.017 -10.269 1.00 64.33 H new ATOM 0 HG CYS A 63 11.447 20.780 -10.865 1.00 25.31 H new ATOM 961 N GLY A 64 12.221 17.395 -13.816 1.00 1.22 N ATOM 962 CA GLY A 64 13.592 17.221 -14.261 1.00 15.53 C ATOM 963 C GLY A 64 14.339 16.184 -13.446 1.00 14.53 C ATOM 964 O GLY A 64 15.546 16.301 -13.238 1.00 22.32 O ATOM 0 H GLY A 64 11.515 17.012 -14.444 1.00 1.22 H new ATOM 0 HA2 GLY A 64 13.595 16.925 -15.310 1.00 15.53 H new ATOM 0 HA3 GLY A 64 14.115 18.175 -14.197 1.00 15.53 H new ATOM 968 N SER A 65 13.619 15.168 -12.981 1.00 52.04 N ATOM 969 CA SER A 65 14.220 14.109 -12.180 1.00 21.24 C ATOM 970 C SER A 65 13.900 12.737 -12.764 1.00 72.53 C ATOM 971 O SER A 65 12.808 12.204 -12.565 1.00 53.31 O ATOM 972 CB SER A 65 13.723 14.189 -10.735 1.00 52.00 C ATOM 973 OG SER A 65 14.394 13.251 -9.912 1.00 32.22 O ATOM 0 H SER A 65 12.619 15.056 -13.145 1.00 52.04 H new ATOM 0 HA SER A 65 15.301 14.247 -12.194 1.00 21.24 H new ATOM 0 HB2 SER A 65 13.881 15.196 -10.348 1.00 52.00 H new ATOM 0 HB3 SER A 65 12.650 14.001 -10.705 1.00 52.00 H new ATOM 0 HG SER A 65 15.342 13.218 -10.160 1.00 32.22 H new ATOM 979 N ARG A 66 14.860 12.169 -13.487 1.00 3.42 N ATOM 980 CA ARG A 66 14.681 10.860 -14.102 1.00 64.21 C ATOM 981 C ARG A 66 15.077 9.747 -13.136 1.00 71.22 C ATOM 982 O ARG A 66 15.828 8.839 -13.492 1.00 43.15 O ATOM 983 CB ARG A 66 15.511 10.757 -15.383 1.00 63.10 C ATOM 984 CG ARG A 66 17.008 10.878 -15.150 1.00 64.31 C ATOM 985 CD ARG A 66 17.758 9.682 -15.716 1.00 45.00 C ATOM 986 NE ARG A 66 18.246 9.933 -17.070 1.00 23.54 N ATOM 987 CZ ARG A 66 19.296 10.700 -17.342 1.00 55.23 C ATOM 988 NH1 ARG A 66 19.964 11.289 -16.360 1.00 33.11 N ATOM 989 NH2 ARG A 66 19.679 10.880 -18.600 1.00 34.01 N ATOM 0 H ARG A 66 15.770 12.596 -13.661 1.00 3.42 H new ATOM 0 HA ARG A 66 13.626 10.744 -14.350 1.00 64.21 H new ATOM 0 HB2 ARG A 66 15.303 9.802 -15.865 1.00 63.10 H new ATOM 0 HB3 ARG A 66 15.195 11.538 -16.074 1.00 63.10 H new ATOM 0 HG2 ARG A 66 17.377 11.793 -15.614 1.00 64.31 H new ATOM 0 HG3 ARG A 66 17.206 10.960 -14.081 1.00 64.31 H new ATOM 0 HD2 ARG A 66 18.599 9.441 -15.066 1.00 45.00 H new ATOM 0 HD3 ARG A 66 17.101 8.812 -15.723 1.00 45.00 H new ATOM 0 HE ARG A 66 17.754 9.496 -17.849 1.00 23.54 H new ATOM 0 HH11 ARG A 66 19.672 11.154 -15.392 1.00 33.11 H new ATOM 0 HH12 ARG A 66 20.770 11.877 -16.572 1.00 33.11 H new ATOM 0 HH21 ARG A 66 19.167 10.429 -19.358 1.00 34.01 H new ATOM 0 HH22 ARG A 66 20.485 11.469 -18.808 1.00 34.01 H new ATOM 1003 N VAL A 67 14.566 9.824 -11.911 1.00 70.34 N ATOM 1004 CA VAL A 67 14.865 8.823 -10.894 1.00 50.10 C ATOM 1005 C VAL A 67 14.349 7.449 -11.306 1.00 54.11 C ATOM 1006 O VAL A 67 13.604 7.320 -12.278 1.00 10.40 O ATOM 1007 CB VAL A 67 14.250 9.204 -9.534 1.00 71.03 C ATOM 1008 CG1 VAL A 67 14.979 10.396 -8.933 1.00 50.03 C ATOM 1009 CG2 VAL A 67 12.765 9.498 -9.685 1.00 71.52 C ATOM 0 H VAL A 67 13.943 10.569 -11.599 1.00 70.34 H new ATOM 0 HA VAL A 67 15.950 8.786 -10.796 1.00 50.10 H new ATOM 0 HB VAL A 67 14.363 8.359 -8.854 1.00 71.03 H new ATOM 0 HG11 VAL A 67 14.530 10.650 -7.973 1.00 50.03 H new ATOM 0 HG12 VAL A 67 16.030 10.144 -8.788 1.00 50.03 H new ATOM 0 HG13 VAL A 67 14.900 11.249 -9.608 1.00 50.03 H new ATOM 0 HG21 VAL A 67 12.347 9.765 -8.715 1.00 71.52 H new ATOM 0 HG22 VAL A 67 12.627 10.326 -10.380 1.00 71.52 H new ATOM 0 HG23 VAL A 67 12.256 8.614 -10.068 1.00 71.52 H new ATOM 1019 N ARG A 68 14.749 6.425 -10.560 1.00 74.41 N ATOM 1020 CA ARG A 68 14.327 5.059 -10.848 1.00 52.11 C ATOM 1021 C ARG A 68 13.509 4.488 -9.694 1.00 33.23 C ATOM 1022 O ARG A 68 14.055 4.120 -8.654 1.00 3.33 O ATOM 1023 CB ARG A 68 15.544 4.172 -11.113 1.00 25.45 C ATOM 1024 CG ARG A 68 15.538 3.523 -12.487 1.00 63.11 C ATOM 1025 CD ARG A 68 15.451 4.563 -13.593 1.00 63.44 C ATOM 1026 NE ARG A 68 16.395 5.659 -13.390 1.00 32.41 N ATOM 1027 CZ ARG A 68 17.683 5.587 -13.705 1.00 3.11 C ATOM 1028 NH1 ARG A 68 18.179 4.478 -14.235 1.00 71.34 N ATOM 1029 NH2 ARG A 68 18.479 6.627 -13.490 1.00 12.14 N ATOM 0 H ARG A 68 15.365 6.515 -9.752 1.00 74.41 H new ATOM 0 HA ARG A 68 13.700 5.079 -11.739 1.00 52.11 H new ATOM 0 HB2 ARG A 68 16.449 4.770 -11.007 1.00 25.45 H new ATOM 0 HB3 ARG A 68 15.587 3.392 -10.353 1.00 25.45 H new ATOM 0 HG2 ARG A 68 16.443 2.929 -12.614 1.00 63.11 H new ATOM 0 HG3 ARG A 68 14.694 2.837 -12.563 1.00 63.11 H new ATOM 0 HD2 ARG A 68 15.649 4.088 -14.554 1.00 63.44 H new ATOM 0 HD3 ARG A 68 14.437 4.961 -13.637 1.00 63.44 H new ATOM 0 HE ARG A 68 16.046 6.527 -12.984 1.00 32.41 H new ATOM 0 HH11 ARG A 68 17.571 3.676 -14.402 1.00 71.34 H new ATOM 0 HH12 ARG A 68 19.169 4.426 -14.476 1.00 71.34 H new ATOM 0 HH21 ARG A 68 18.102 7.482 -13.082 1.00 12.14 H new ATOM 0 HH22 ARG A 68 19.468 6.571 -13.732 1.00 12.14 H new ATOM 1043 N VAL A 69 12.195 4.417 -9.884 1.00 60.24 N ATOM 1044 CA VAL A 69 11.301 3.890 -8.860 1.00 2.00 C ATOM 1045 C VAL A 69 10.716 2.546 -9.280 1.00 14.44 C ATOM 1046 O VAL A 69 10.405 2.333 -10.451 1.00 25.40 O ATOM 1047 CB VAL A 69 10.150 4.869 -8.562 1.00 71.04 C ATOM 1048 CG1 VAL A 69 9.469 5.301 -9.852 1.00 61.22 C ATOM 1049 CG2 VAL A 69 9.149 4.238 -7.606 1.00 54.35 C ATOM 0 H VAL A 69 11.726 4.718 -10.738 1.00 60.24 H new ATOM 0 HA VAL A 69 11.897 3.757 -7.957 1.00 2.00 H new ATOM 0 HB VAL A 69 10.565 5.756 -8.084 1.00 71.04 H new ATOM 0 HG11 VAL A 69 8.658 5.992 -9.622 1.00 61.22 H new ATOM 0 HG12 VAL A 69 10.194 5.795 -10.499 1.00 61.22 H new ATOM 0 HG13 VAL A 69 9.066 4.426 -10.361 1.00 61.22 H new ATOM 0 HG21 VAL A 69 8.342 4.943 -7.406 1.00 54.35 H new ATOM 0 HG22 VAL A 69 8.738 3.334 -8.055 1.00 54.35 H new ATOM 0 HG23 VAL A 69 9.649 3.984 -6.671 1.00 54.35 H new ATOM 1059 N GLU A 70 10.567 1.644 -8.314 1.00 51.44 N ATOM 1060 CA GLU A 70 10.018 0.321 -8.585 1.00 24.32 C ATOM 1061 C GLU A 70 9.153 -0.157 -7.422 1.00 71.45 C ATOM 1062 O GLU A 70 9.196 0.406 -6.328 1.00 42.52 O ATOM 1063 CB GLU A 70 11.147 -0.681 -8.841 1.00 14.24 C ATOM 1064 CG GLU A 70 10.928 -1.542 -10.073 1.00 31.31 C ATOM 1065 CD GLU A 70 12.229 -1.994 -10.707 1.00 61.03 C ATOM 1066 OE1 GLU A 70 12.862 -2.923 -10.163 1.00 44.13 O ATOM 1067 OE2 GLU A 70 12.614 -1.419 -11.747 1.00 21.14 O ATOM 0 H GLU A 70 10.818 1.805 -7.339 1.00 51.44 H new ATOM 0 HA GLU A 70 9.394 0.390 -9.476 1.00 24.32 H new ATOM 0 HB2 GLU A 70 12.086 -0.138 -8.950 1.00 14.24 H new ATOM 0 HB3 GLU A 70 11.252 -1.328 -7.970 1.00 14.24 H new ATOM 0 HG2 GLU A 70 10.338 -2.417 -9.800 1.00 31.31 H new ATOM 0 HG3 GLU A 70 10.347 -0.981 -10.805 1.00 31.31 H new ATOM 1074 N LEU A 71 8.367 -1.200 -7.668 1.00 10.13 N ATOM 1075 CA LEU A 71 7.490 -1.755 -6.643 1.00 0.15 C ATOM 1076 C LEU A 71 8.002 -3.109 -6.163 1.00 21.23 C ATOM 1077 O LEU A 71 7.962 -4.095 -6.898 1.00 61.34 O ATOM 1078 CB LEU A 71 6.066 -1.898 -7.184 1.00 5.21 C ATOM 1079 CG LEU A 71 5.210 -0.631 -7.164 1.00 4.03 C ATOM 1080 CD1 LEU A 71 4.682 -0.321 -8.556 1.00 21.52 C ATOM 1081 CD2 LEU A 71 4.062 -0.779 -6.176 1.00 61.02 C ATOM 0 H LEU A 71 8.319 -1.678 -8.568 1.00 10.13 H new ATOM 0 HA LEU A 71 7.483 -1.069 -5.796 1.00 0.15 H new ATOM 0 HB2 LEU A 71 6.123 -2.257 -8.211 1.00 5.21 H new ATOM 0 HB3 LEU A 71 5.554 -2.667 -6.605 1.00 5.21 H new ATOM 0 HG LEU A 71 5.835 0.202 -6.842 1.00 4.03 H new ATOM 0 HD11 LEU A 71 4.075 0.584 -8.522 1.00 21.52 H new ATOM 0 HD12 LEU A 71 5.519 -0.171 -9.238 1.00 21.52 H new ATOM 0 HD13 LEU A 71 4.073 -1.153 -8.908 1.00 21.52 H new ATOM 0 HD21 LEU A 71 3.463 0.132 -6.175 1.00 61.02 H new ATOM 0 HD22 LEU A 71 3.437 -1.623 -6.468 1.00 61.02 H new ATOM 0 HD23 LEU A 71 4.462 -0.952 -5.177 1.00 61.02 H new ATOM 1093 N SER A 72 8.481 -3.150 -4.924 1.00 3.34 N ATOM 1094 CA SER A 72 9.003 -4.383 -4.346 1.00 12.24 C ATOM 1095 C SER A 72 7.893 -5.416 -4.177 1.00 52.15 C ATOM 1096 O SER A 72 8.146 -6.621 -4.167 1.00 33.15 O ATOM 1097 CB SER A 72 9.660 -4.099 -2.994 1.00 21.24 C ATOM 1098 OG SER A 72 10.972 -4.632 -2.943 1.00 22.04 O ATOM 0 H SER A 72 8.518 -2.343 -4.301 1.00 3.34 H new ATOM 0 HA SER A 72 9.751 -4.787 -5.028 1.00 12.24 H new ATOM 0 HB2 SER A 72 9.694 -3.023 -2.821 1.00 21.24 H new ATOM 0 HB3 SER A 72 9.057 -4.531 -2.195 1.00 21.24 H new ATOM 0 HG SER A 72 11.371 -4.436 -2.070 1.00 22.04 H new ATOM 1104 N THR A 73 6.660 -4.935 -4.046 1.00 62.04 N ATOM 1105 CA THR A 73 5.511 -5.815 -3.877 1.00 54.35 C ATOM 1106 C THR A 73 4.257 -5.205 -4.493 1.00 54.14 C ATOM 1107 O THR A 73 3.979 -4.020 -4.315 1.00 13.11 O ATOM 1108 CB THR A 73 5.245 -6.113 -2.390 1.00 2.13 C ATOM 1109 OG1 THR A 73 6.454 -5.962 -1.637 1.00 33.23 O ATOM 1110 CG2 THR A 73 4.701 -7.522 -2.209 1.00 23.01 C ATOM 0 H THR A 73 6.432 -3.941 -4.054 1.00 62.04 H new ATOM 0 HA THR A 73 5.749 -6.747 -4.390 1.00 54.35 H new ATOM 0 HB THR A 73 4.500 -5.404 -2.027 1.00 2.13 H new ATOM 0 HG1 THR A 73 6.277 -6.152 -0.692 1.00 33.23 H new ATOM 0 HG21 THR A 73 4.521 -7.709 -1.150 1.00 23.01 H new ATOM 0 HG22 THR A 73 3.766 -7.625 -2.760 1.00 23.01 H new ATOM 0 HG23 THR A 73 5.426 -8.243 -2.587 1.00 23.01 H new ATOM 1118 N GLY A 74 3.501 -6.024 -5.219 1.00 41.44 N ATOM 1119 CA GLY A 74 2.285 -5.546 -5.850 1.00 75.24 C ATOM 1120 C GLY A 74 2.498 -5.154 -7.299 1.00 2.42 C ATOM 1121 O GLY A 74 1.751 -4.343 -7.846 1.00 34.52 O ATOM 0 H GLY A 74 3.709 -7.009 -5.381 1.00 41.44 H new ATOM 0 HA2 GLY A 74 1.522 -6.322 -5.795 1.00 75.24 H new ATOM 0 HA3 GLY A 74 1.906 -4.687 -5.297 1.00 75.24 H new ATOM 1125 N MET A 75 3.523 -5.728 -7.921 1.00 15.10 N ATOM 1126 CA MET A 75 3.832 -5.432 -9.315 1.00 64.40 C ATOM 1127 C MET A 75 4.032 -6.718 -10.112 1.00 2.32 C ATOM 1128 O MET A 75 5.149 -7.213 -10.267 1.00 34.12 O ATOM 1129 CB MET A 75 5.087 -4.561 -9.407 1.00 74.23 C ATOM 1130 CG MET A 75 5.592 -4.372 -10.828 1.00 61.34 C ATOM 1131 SD MET A 75 5.841 -2.638 -11.252 1.00 54.55 S ATOM 1132 CE MET A 75 6.171 -2.762 -13.008 1.00 62.24 C ATOM 0 H MET A 75 4.153 -6.400 -7.482 1.00 15.10 H new ATOM 0 HA MET A 75 2.989 -4.888 -9.741 1.00 64.40 H new ATOM 0 HB2 MET A 75 4.874 -3.584 -8.973 1.00 74.23 H new ATOM 0 HB3 MET A 75 5.877 -5.012 -8.806 1.00 74.23 H new ATOM 0 HG2 MET A 75 6.532 -4.910 -10.950 1.00 61.34 H new ATOM 0 HG3 MET A 75 4.879 -4.813 -11.524 1.00 61.34 H new ATOM 0 HE1 MET A 75 6.346 -1.767 -13.416 1.00 62.24 H new ATOM 0 HE2 MET A 75 7.054 -3.381 -13.170 1.00 62.24 H new ATOM 0 HE3 MET A 75 5.314 -3.214 -13.508 1.00 62.24 H new ATOM 1142 N PRO A 76 2.926 -7.272 -10.630 1.00 20.14 N ATOM 1143 CA PRO A 76 2.955 -8.507 -11.419 1.00 54.11 C ATOM 1144 C PRO A 76 3.611 -8.309 -12.781 1.00 63.01 C ATOM 1145 O PRO A 76 3.141 -7.518 -13.598 1.00 53.34 O ATOM 1146 CB PRO A 76 1.474 -8.856 -11.585 1.00 75.13 C ATOM 1147 CG PRO A 76 0.761 -7.554 -11.459 1.00 51.12 C ATOM 1148 CD PRO A 76 1.562 -6.736 -10.485 1.00 2.04 C ATOM 0 HA PRO A 76 3.540 -9.288 -10.933 1.00 54.11 H new ATOM 0 HB2 PRO A 76 1.283 -9.320 -12.553 1.00 75.13 H new ATOM 0 HB3 PRO A 76 1.146 -9.562 -10.822 1.00 75.13 H new ATOM 0 HG2 PRO A 76 0.691 -7.053 -12.424 1.00 51.12 H new ATOM 0 HG3 PRO A 76 -0.258 -7.700 -11.101 1.00 51.12 H new ATOM 0 HD2 PRO A 76 1.520 -5.673 -10.723 1.00 2.04 H new ATOM 0 HD3 PRO A 76 1.192 -6.849 -9.466 1.00 2.04 H new ATOM 1156 N ARG A 77 4.700 -9.033 -13.019 1.00 21.14 N ATOM 1157 CA ARG A 77 5.422 -8.936 -14.282 1.00 35.02 C ATOM 1158 C ARG A 77 5.964 -10.298 -14.704 1.00 62.20 C ATOM 1159 O ARG A 77 5.875 -11.272 -13.956 1.00 51.00 O ATOM 1160 CB ARG A 77 6.570 -7.933 -14.162 1.00 10.50 C ATOM 1161 CG ARG A 77 6.419 -6.723 -15.069 1.00 52.35 C ATOM 1162 CD ARG A 77 7.641 -6.534 -15.954 1.00 51.05 C ATOM 1163 NE ARG A 77 8.627 -5.647 -15.344 1.00 3.13 N ATOM 1164 CZ ARG A 77 9.610 -5.063 -16.021 1.00 15.20 C ATOM 1165 NH1 ARG A 77 9.735 -5.271 -17.324 1.00 43.44 N ATOM 1166 NH2 ARG A 77 10.468 -4.269 -15.394 1.00 41.54 N ATOM 0 H ARG A 77 5.102 -9.693 -12.353 1.00 21.14 H new ATOM 0 HA ARG A 77 4.725 -8.590 -15.045 1.00 35.02 H new ATOM 0 HB2 ARG A 77 6.639 -7.595 -13.128 1.00 10.50 H new ATOM 0 HB3 ARG A 77 7.508 -8.437 -14.396 1.00 10.50 H new ATOM 0 HG2 ARG A 77 5.532 -6.842 -15.692 1.00 52.35 H new ATOM 0 HG3 ARG A 77 6.265 -5.830 -14.463 1.00 52.35 H new ATOM 0 HD2 ARG A 77 8.099 -7.503 -16.152 1.00 51.05 H new ATOM 0 HD3 ARG A 77 7.332 -6.125 -16.916 1.00 51.05 H new ATOM 0 HE ARG A 77 8.558 -5.465 -14.343 1.00 3.13 H new ATOM 0 HH11 ARG A 77 9.076 -5.880 -17.809 1.00 43.44 H new ATOM 0 HH12 ARG A 77 10.490 -4.822 -17.842 1.00 43.44 H new ATOM 0 HH21 ARG A 77 10.373 -4.106 -14.391 1.00 41.54 H new ATOM 0 HH22 ARG A 77 11.222 -3.821 -15.914 1.00 41.54 H new ATOM 1180 N ARG A 78 6.526 -10.359 -15.907 1.00 52.30 N ATOM 1181 CA ARG A 78 7.081 -11.601 -16.429 1.00 60.44 C ATOM 1182 C ARG A 78 8.565 -11.718 -16.093 1.00 13.14 C ATOM 1183 O ARG A 78 9.033 -12.772 -15.662 1.00 50.14 O ATOM 1184 CB ARG A 78 6.884 -11.676 -17.945 1.00 13.14 C ATOM 1185 CG ARG A 78 7.522 -10.521 -18.699 1.00 75.03 C ATOM 1186 CD ARG A 78 7.130 -10.532 -20.169 1.00 13.34 C ATOM 1187 NE ARG A 78 5.785 -10.003 -20.380 1.00 72.12 N ATOM 1188 CZ ARG A 78 5.166 -10.018 -21.556 1.00 10.45 C ATOM 1189 NH1 ARG A 78 5.768 -10.532 -22.619 1.00 50.41 N ATOM 1190 NH2 ARG A 78 3.942 -9.518 -21.669 1.00 1.45 N ATOM 0 H ARG A 78 6.609 -9.562 -16.538 1.00 52.30 H new ATOM 0 HA ARG A 78 6.553 -12.430 -15.959 1.00 60.44 H new ATOM 0 HB2 ARG A 78 7.302 -12.613 -18.311 1.00 13.14 H new ATOM 0 HB3 ARG A 78 5.816 -11.696 -18.164 1.00 13.14 H new ATOM 0 HG2 ARG A 78 7.217 -9.577 -18.247 1.00 75.03 H new ATOM 0 HG3 ARG A 78 8.607 -10.582 -18.610 1.00 75.03 H new ATOM 0 HD2 ARG A 78 7.846 -9.941 -20.740 1.00 13.34 H new ATOM 0 HD3 ARG A 78 7.183 -11.552 -20.551 1.00 13.34 H new ATOM 0 HE ARG A 78 5.294 -9.600 -19.582 1.00 72.12 H new ATOM 0 HH11 ARG A 78 6.709 -10.917 -22.536 1.00 50.41 H new ATOM 0 HH12 ARG A 78 5.291 -10.542 -23.520 1.00 50.41 H new ATOM 0 HH21 ARG A 78 3.476 -9.122 -20.853 1.00 1.45 H new ATOM 0 HH22 ARG A 78 3.468 -9.530 -22.572 1.00 1.45 H new ATOM 1204 N SER A 79 9.299 -10.628 -16.292 1.00 11.11 N ATOM 1205 CA SER A 79 10.730 -10.609 -16.014 1.00 2.14 C ATOM 1206 C SER A 79 11.095 -9.426 -15.122 1.00 54.53 C ATOM 1207 O SER A 79 10.219 -8.744 -14.588 1.00 45.24 O ATOM 1208 CB SER A 79 11.524 -10.542 -17.320 1.00 3.15 C ATOM 1209 OG SER A 79 11.138 -11.579 -18.205 1.00 3.11 O ATOM 0 H SER A 79 8.926 -9.747 -16.645 1.00 11.11 H new ATOM 0 HA SER A 79 10.985 -11.530 -15.489 1.00 2.14 H new ATOM 0 HB2 SER A 79 11.365 -9.575 -17.797 1.00 3.15 H new ATOM 0 HB3 SER A 79 12.590 -10.620 -17.106 1.00 3.15 H new ATOM 0 HG SER A 79 11.659 -11.513 -19.033 1.00 3.11 H new ATOM 1215 N ARG A 80 12.393 -9.188 -14.966 1.00 71.13 N ATOM 1216 CA ARG A 80 12.875 -8.088 -14.139 1.00 75.51 C ATOM 1217 C ARG A 80 12.239 -8.132 -12.753 1.00 31.35 C ATOM 1218 O ARG A 80 12.063 -7.100 -12.106 1.00 11.52 O ATOM 1219 CB ARG A 80 12.571 -6.747 -14.809 1.00 35.11 C ATOM 1220 CG ARG A 80 13.421 -6.474 -16.039 1.00 74.20 C ATOM 1221 CD ARG A 80 14.386 -5.323 -15.805 1.00 11.32 C ATOM 1222 NE ARG A 80 15.298 -5.135 -16.930 1.00 75.12 N ATOM 1223 CZ ARG A 80 16.105 -4.088 -17.055 1.00 24.11 C ATOM 1224 NH1 ARG A 80 16.115 -3.140 -16.128 1.00 41.13 N ATOM 1225 NH2 ARG A 80 16.906 -3.988 -18.108 1.00 64.41 N ATOM 0 H ARG A 80 13.130 -9.742 -15.402 1.00 71.13 H new ATOM 0 HA ARG A 80 13.954 -8.195 -14.029 1.00 75.51 H new ATOM 0 HB2 ARG A 80 11.519 -6.722 -15.092 1.00 35.11 H new ATOM 0 HB3 ARG A 80 12.725 -5.946 -14.086 1.00 35.11 H new ATOM 0 HG2 ARG A 80 13.981 -7.372 -16.302 1.00 74.20 H new ATOM 0 HG3 ARG A 80 12.774 -6.242 -16.885 1.00 74.20 H new ATOM 0 HD2 ARG A 80 13.822 -4.405 -15.639 1.00 11.32 H new ATOM 0 HD3 ARG A 80 14.962 -5.512 -14.899 1.00 11.32 H new ATOM 0 HE ARG A 80 15.316 -5.847 -17.660 1.00 75.12 H new ATOM 0 HH11 ARG A 80 15.502 -3.214 -15.316 1.00 41.13 H new ATOM 0 HH12 ARG A 80 16.736 -2.337 -16.227 1.00 41.13 H new ATOM 0 HH21 ARG A 80 16.902 -4.716 -18.823 1.00 64.41 H new ATOM 0 HH22 ARG A 80 17.525 -3.183 -18.203 1.00 64.41 H new ATOM 1239 N PHE A 81 11.896 -9.335 -12.302 1.00 40.33 N ATOM 1240 CA PHE A 81 11.279 -9.513 -10.993 1.00 75.44 C ATOM 1241 C PHE A 81 12.161 -10.367 -10.087 1.00 44.44 C ATOM 1242 O PHE A 81 12.607 -11.446 -10.476 1.00 25.55 O ATOM 1243 CB PHE A 81 9.901 -10.163 -11.140 1.00 51.32 C ATOM 1244 CG PHE A 81 9.960 -11.639 -11.410 1.00 32.23 C ATOM 1245 CD1 PHE A 81 10.043 -12.117 -12.708 1.00 33.03 C ATOM 1246 CD2 PHE A 81 9.933 -12.549 -10.365 1.00 72.13 C ATOM 1247 CE1 PHE A 81 10.096 -13.475 -12.958 1.00 61.14 C ATOM 1248 CE2 PHE A 81 9.986 -13.909 -10.610 1.00 4.52 C ATOM 1249 CZ PHE A 81 10.069 -14.372 -11.908 1.00 43.12 C ATOM 0 H PHE A 81 12.035 -10.200 -12.824 1.00 40.33 H new ATOM 0 HA PHE A 81 11.164 -8.530 -10.537 1.00 75.44 H new ATOM 0 HB2 PHE A 81 9.328 -9.991 -10.229 1.00 51.32 H new ATOM 0 HB3 PHE A 81 9.362 -9.674 -11.952 1.00 51.32 H new ATOM 0 HD1 PHE A 81 10.067 -11.421 -13.533 1.00 33.03 H new ATOM 0 HD2 PHE A 81 9.870 -12.192 -9.348 1.00 72.13 H new ATOM 0 HE1 PHE A 81 10.159 -13.835 -13.974 1.00 61.14 H new ATOM 0 HE2 PHE A 81 9.962 -14.608 -9.787 1.00 4.52 H new ATOM 0 HZ PHE A 81 10.113 -15.434 -12.102 1.00 43.12 H new ATOM 1259 N ASP A 82 12.410 -9.874 -8.879 1.00 53.30 N ATOM 1260 CA ASP A 82 13.239 -10.590 -7.917 1.00 13.04 C ATOM 1261 C ASP A 82 12.384 -11.479 -7.018 1.00 50.43 C ATOM 1262 O ASP A 82 12.724 -12.635 -6.768 1.00 71.12 O ATOM 1263 CB ASP A 82 14.039 -9.602 -7.066 1.00 34.44 C ATOM 1264 CG ASP A 82 14.814 -10.288 -5.958 1.00 35.14 C ATOM 1265 OD1 ASP A 82 15.153 -11.478 -6.121 1.00 25.41 O ATOM 1266 OD2 ASP A 82 15.079 -9.635 -4.927 1.00 3.32 O ATOM 0 H ASP A 82 12.049 -8.981 -8.543 1.00 53.30 H new ATOM 0 HA ASP A 82 13.931 -11.224 -8.472 1.00 13.04 H new ATOM 0 HB2 ASP A 82 14.732 -9.054 -7.705 1.00 34.44 H new ATOM 0 HB3 ASP A 82 13.360 -8.869 -6.631 1.00 34.44 H new ATOM 1271 N ARG A 83 11.274 -10.930 -6.535 1.00 40.14 N ATOM 1272 CA ARG A 83 10.372 -11.672 -5.663 1.00 10.00 C ATOM 1273 C ARG A 83 8.941 -11.620 -6.190 1.00 71.21 C ATOM 1274 O ARG A 83 8.582 -10.766 -7.001 1.00 5.11 O ATOM 1275 CB ARG A 83 10.424 -11.108 -4.242 1.00 20.22 C ATOM 1276 CG ARG A 83 11.272 -11.935 -3.289 1.00 61.03 C ATOM 1277 CD ARG A 83 11.646 -11.143 -2.046 1.00 62.21 C ATOM 1278 NE ARG A 83 12.898 -11.609 -1.456 1.00 62.53 N ATOM 1279 CZ ARG A 83 12.993 -12.693 -0.693 1.00 53.32 C ATOM 1280 NH1 ARG A 83 11.914 -13.418 -0.429 1.00 44.33 N ATOM 1281 NH2 ARG A 83 14.168 -13.053 -0.193 1.00 14.11 N ATOM 0 H ARG A 83 10.978 -9.974 -6.733 1.00 40.14 H new ATOM 0 HA ARG A 83 10.697 -12.712 -5.646 1.00 10.00 H new ATOM 0 HB2 ARG A 83 10.818 -10.092 -4.277 1.00 20.22 H new ATOM 0 HB3 ARG A 83 9.410 -11.043 -3.849 1.00 20.22 H new ATOM 0 HG2 ARG A 83 10.725 -12.832 -2.999 1.00 61.03 H new ATOM 0 HG3 ARG A 83 12.178 -12.264 -3.798 1.00 61.03 H new ATOM 0 HD2 ARG A 83 11.737 -10.088 -2.303 1.00 62.21 H new ATOM 0 HD3 ARG A 83 10.846 -11.224 -1.310 1.00 62.21 H new ATOM 0 HE ARG A 83 13.746 -11.073 -1.640 1.00 62.53 H new ATOM 0 HH11 ARG A 83 11.009 -13.144 -0.812 1.00 44.33 H new ATOM 0 HH12 ARG A 83 11.989 -14.250 0.157 1.00 44.33 H new ATOM 0 HH21 ARG A 83 15.000 -12.498 -0.394 1.00 14.11 H new ATOM 0 HH22 ARG A 83 14.240 -13.885 0.392 1.00 14.11 H new ATOM 1295 N PRO A 84 8.103 -12.556 -5.720 1.00 53.01 N ATOM 1296 CA PRO A 84 6.698 -12.638 -6.130 1.00 72.24 C ATOM 1297 C PRO A 84 5.867 -11.481 -5.587 1.00 54.02 C ATOM 1298 O PRO A 84 6.017 -11.062 -4.439 1.00 62.13 O ATOM 1299 CB PRO A 84 6.229 -13.964 -5.525 1.00 53.24 C ATOM 1300 CG PRO A 84 7.132 -14.190 -4.363 1.00 23.51 C ATOM 1301 CD PRO A 84 8.462 -13.605 -4.752 1.00 31.54 C ATOM 0 HA PRO A 84 6.586 -12.584 -7.213 1.00 72.24 H new ATOM 0 HB2 PRO A 84 5.186 -13.909 -5.212 1.00 53.24 H new ATOM 0 HB3 PRO A 84 6.302 -14.777 -6.248 1.00 53.24 H new ATOM 0 HG2 PRO A 84 6.742 -13.709 -3.466 1.00 23.51 H new ATOM 0 HG3 PRO A 84 7.223 -15.253 -4.141 1.00 23.51 H new ATOM 0 HD2 PRO A 84 8.988 -13.194 -3.890 1.00 31.54 H new ATOM 0 HD3 PRO A 84 9.116 -14.355 -5.196 1.00 31.54 H new ATOM 1309 N PRO A 85 4.967 -10.951 -6.429 1.00 43.24 N ATOM 1310 CA PRO A 85 4.094 -9.835 -6.055 1.00 15.04 C ATOM 1311 C PRO A 85 3.040 -10.243 -5.031 1.00 12.54 C ATOM 1312 O PRO A 85 2.687 -11.417 -4.922 1.00 44.43 O ATOM 1313 CB PRO A 85 3.430 -9.444 -7.378 1.00 23.03 C ATOM 1314 CG PRO A 85 3.471 -10.684 -8.203 1.00 13.14 C ATOM 1315 CD PRO A 85 4.734 -11.400 -7.812 1.00 71.11 C ATOM 0 HA PRO A 85 4.649 -9.023 -5.585 1.00 15.04 H new ATOM 0 HB2 PRO A 85 2.406 -9.106 -7.222 1.00 23.03 H new ATOM 0 HB3 PRO A 85 3.965 -8.628 -7.863 1.00 23.03 H new ATOM 0 HG2 PRO A 85 2.596 -11.306 -8.016 1.00 13.14 H new ATOM 0 HG3 PRO A 85 3.471 -10.445 -9.267 1.00 13.14 H new ATOM 0 HD2 PRO A 85 4.616 -12.482 -7.869 1.00 71.11 H new ATOM 0 HD3 PRO A 85 5.565 -11.135 -8.466 1.00 71.11 H new ATOM 1323 N ALA A 86 2.540 -9.265 -4.281 1.00 62.14 N ATOM 1324 CA ALA A 86 1.525 -9.522 -3.268 1.00 33.31 C ATOM 1325 C ALA A 86 0.122 -9.422 -3.858 1.00 2.40 C ATOM 1326 O ALA A 86 -0.752 -8.761 -3.296 1.00 43.14 O ATOM 1327 CB ALA A 86 1.681 -8.553 -2.106 1.00 3.41 C ATOM 0 H ALA A 86 2.822 -8.288 -4.357 1.00 62.14 H new ATOM 0 HA ALA A 86 1.664 -10.539 -2.900 1.00 33.31 H new ATOM 0 HB1 ALA A 86 0.916 -8.757 -1.357 1.00 3.41 H new ATOM 0 HB2 ALA A 86 2.668 -8.676 -1.660 1.00 3.41 H new ATOM 0 HB3 ALA A 86 1.571 -7.531 -2.468 1.00 3.41 H new ATOM 1333 N ARG A 87 -0.086 -10.080 -4.993 1.00 63.24 N ATOM 1334 CA ARG A 87 -1.382 -10.063 -5.660 1.00 40.24 C ATOM 1335 C ARG A 87 -2.178 -11.324 -5.335 1.00 44.42 C ATOM 1336 O ARG A 87 -3.298 -11.249 -4.829 1.00 64.54 O ATOM 1337 CB ARG A 87 -1.199 -9.939 -7.174 1.00 41.31 C ATOM 1338 CG ARG A 87 -0.337 -8.757 -7.589 1.00 32.15 C ATOM 1339 CD ARG A 87 -1.125 -7.457 -7.562 1.00 51.30 C ATOM 1340 NE ARG A 87 -2.226 -7.464 -8.522 1.00 21.03 N ATOM 1341 CZ ARG A 87 -2.818 -6.362 -8.969 1.00 61.44 C ATOM 1342 NH1 ARG A 87 -2.417 -5.172 -8.547 1.00 5.53 N ATOM 1343 NH2 ARG A 87 -3.813 -6.451 -9.842 1.00 54.43 N ATOM 0 H ARG A 87 0.627 -10.632 -5.470 1.00 63.24 H new ATOM 0 HA ARG A 87 -1.938 -9.199 -5.296 1.00 40.24 H new ATOM 0 HB2 ARG A 87 -0.749 -10.857 -7.553 1.00 41.31 H new ATOM 0 HB3 ARG A 87 -2.178 -9.846 -7.643 1.00 41.31 H new ATOM 0 HG2 ARG A 87 0.520 -8.678 -6.921 1.00 32.15 H new ATOM 0 HG3 ARG A 87 0.055 -8.925 -8.592 1.00 32.15 H new ATOM 0 HD2 ARG A 87 -1.520 -7.293 -6.559 1.00 51.30 H new ATOM 0 HD3 ARG A 87 -0.457 -6.624 -7.782 1.00 51.30 H new ATOM 0 HE ARG A 87 -2.558 -8.364 -8.868 1.00 21.03 H new ATOM 0 HH11 ARG A 87 -1.651 -5.100 -7.877 1.00 5.53 H new ATOM 0 HH12 ARG A 87 -2.874 -4.328 -8.892 1.00 5.53 H new ATOM 0 HH21 ARG A 87 -4.123 -7.366 -10.170 1.00 54.43 H new ATOM 0 HH22 ARG A 87 -4.268 -5.605 -10.185 1.00 54.43 H new ATOM 1357 N ARG A 88 -1.591 -12.479 -5.630 1.00 34.43 N ATOM 1358 CA ARG A 88 -2.246 -13.756 -5.370 1.00 51.04 C ATOM 1359 C ARG A 88 -3.602 -13.823 -6.068 1.00 22.25 C ATOM 1360 O ARG A 88 -3.991 -12.899 -6.782 1.00 73.52 O ATOM 1361 CB ARG A 88 -2.424 -13.966 -3.865 1.00 44.05 C ATOM 1362 CG ARG A 88 -1.142 -14.361 -3.150 1.00 42.23 C ATOM 1363 CD ARG A 88 -0.960 -13.577 -1.860 1.00 30.43 C ATOM 1364 NE ARG A 88 -0.186 -14.323 -0.871 1.00 32.30 N ATOM 1365 CZ ARG A 88 0.189 -13.821 0.300 1.00 12.11 C ATOM 1366 NH1 ARG A 88 -0.138 -12.578 0.627 1.00 22.33 N ATOM 1367 NH2 ARG A 88 0.892 -14.562 1.147 1.00 34.20 N ATOM 0 H ARG A 88 -0.664 -12.557 -6.049 1.00 34.43 H new ATOM 0 HA ARG A 88 -1.612 -14.549 -5.767 1.00 51.04 H new ATOM 0 HB2 ARG A 88 -2.809 -13.048 -3.422 1.00 44.05 H new ATOM 0 HB3 ARG A 88 -3.175 -14.739 -3.701 1.00 44.05 H new ATOM 0 HG2 ARG A 88 -1.161 -15.428 -2.929 1.00 42.23 H new ATOM 0 HG3 ARG A 88 -0.289 -14.187 -3.806 1.00 42.23 H new ATOM 0 HD2 ARG A 88 -0.458 -12.634 -2.077 1.00 30.43 H new ATOM 0 HD3 ARG A 88 -1.937 -13.330 -1.445 1.00 30.43 H new ATOM 0 HE ARG A 88 0.081 -15.282 -1.092 1.00 32.30 H new ATOM 0 HH11 ARG A 88 -0.679 -12.005 -0.021 1.00 22.33 H new ATOM 0 HH12 ARG A 88 0.151 -12.195 1.527 1.00 22.33 H new ATOM 0 HH21 ARG A 88 1.145 -15.518 0.899 1.00 34.20 H new ATOM 0 HH22 ARG A 88 1.179 -14.175 2.046 1.00 34.20 H new ATOM 1381 N LYS A 89 -4.316 -14.923 -5.855 1.00 75.02 N ATOM 1382 CA LYS A 89 -5.629 -15.112 -6.462 1.00 21.14 C ATOM 1383 C LYS A 89 -6.595 -14.016 -6.022 1.00 24.43 C ATOM 1384 O LYS A 89 -6.215 -13.094 -5.298 1.00 75.42 O ATOM 1385 CB LYS A 89 -6.193 -16.485 -6.088 1.00 14.55 C ATOM 1386 CG LYS A 89 -6.955 -17.157 -7.216 1.00 74.03 C ATOM 1387 CD LYS A 89 -6.140 -18.269 -7.854 1.00 72.34 C ATOM 1388 CE LYS A 89 -6.030 -18.086 -9.360 1.00 41.13 C ATOM 1389 NZ LYS A 89 -5.721 -19.367 -10.054 1.00 34.11 N ATOM 0 H LYS A 89 -4.008 -15.697 -5.267 1.00 75.02 H new ATOM 0 HA LYS A 89 -5.513 -15.056 -7.544 1.00 21.14 H new ATOM 0 HB2 LYS A 89 -5.373 -17.133 -5.778 1.00 14.55 H new ATOM 0 HB3 LYS A 89 -6.855 -16.375 -5.229 1.00 14.55 H new ATOM 0 HG2 LYS A 89 -7.890 -17.564 -6.832 1.00 74.03 H new ATOM 0 HG3 LYS A 89 -7.216 -16.416 -7.972 1.00 74.03 H new ATOM 0 HD2 LYS A 89 -5.143 -18.288 -7.415 1.00 72.34 H new ATOM 0 HD3 LYS A 89 -6.603 -19.232 -7.636 1.00 72.34 H new ATOM 0 HE2 LYS A 89 -6.965 -17.681 -9.746 1.00 41.13 H new ATOM 0 HE3 LYS A 89 -5.251 -17.356 -9.581 1.00 41.13 H new ATOM 0 HZ1 LYS A 89 -5.654 -19.200 -11.078 1.00 34.11 H new ATOM 0 HZ2 LYS A 89 -4.816 -19.741 -9.705 1.00 34.11 H new ATOM 0 HZ3 LYS A 89 -6.477 -20.056 -9.864 1.00 34.11 H new ATOM 1403 N LEU A 90 -7.844 -14.124 -6.461 1.00 44.42 N ATOM 1404 CA LEU A 90 -8.865 -13.142 -6.111 1.00 63.22 C ATOM 1405 C LEU A 90 -8.427 -11.736 -6.507 1.00 4.21 C ATOM 1406 O LEU A 90 -8.681 -10.769 -5.787 1.00 63.10 O ATOM 1407 CB LEU A 90 -9.157 -13.194 -4.611 1.00 31.44 C ATOM 1408 CG LEU A 90 -10.625 -13.047 -4.207 1.00 64.32 C ATOM 1409 CD1 LEU A 90 -11.230 -11.805 -4.841 1.00 14.40 C ATOM 1410 CD2 LEU A 90 -11.413 -14.288 -4.602 1.00 10.34 C ATOM 0 H LEU A 90 -8.174 -14.881 -7.060 1.00 44.42 H new ATOM 0 HA LEU A 90 -9.774 -13.387 -6.661 1.00 63.22 H new ATOM 0 HB2 LEU A 90 -8.787 -14.143 -4.222 1.00 31.44 H new ATOM 0 HB3 LEU A 90 -8.586 -12.405 -4.122 1.00 31.44 H new ATOM 0 HG LEU A 90 -10.676 -12.938 -3.124 1.00 64.32 H new ATOM 0 HD11 LEU A 90 -12.275 -11.716 -4.543 1.00 14.40 H new ATOM 0 HD12 LEU A 90 -10.682 -10.923 -4.509 1.00 14.40 H new ATOM 0 HD13 LEU A 90 -11.168 -11.884 -5.926 1.00 14.40 H new ATOM 0 HD21 LEU A 90 -12.455 -14.166 -4.307 1.00 10.34 H new ATOM 0 HD22 LEU A 90 -11.355 -14.427 -5.682 1.00 10.34 H new ATOM 0 HD23 LEU A 90 -10.994 -15.160 -4.101 1.00 10.34 H new ATOM 1422 N LEU A 91 -7.769 -11.628 -7.656 1.00 72.12 N ATOM 1423 CA LEU A 91 -7.297 -10.339 -8.150 1.00 14.12 C ATOM 1424 C LEU A 91 -6.622 -10.490 -9.509 1.00 74.33 C ATOM 1425 O LEU A 91 -6.837 -9.683 -10.412 1.00 54.25 O ATOM 1426 CB LEU A 91 -6.323 -9.714 -7.150 1.00 44.45 C ATOM 1427 CG LEU A 91 -6.448 -8.203 -6.946 1.00 23.50 C ATOM 1428 CD1 LEU A 91 -6.282 -7.470 -8.268 1.00 32.20 C ATOM 1429 CD2 LEU A 91 -7.786 -7.861 -6.308 1.00 11.21 C ATOM 0 H LEU A 91 -7.550 -12.418 -8.263 1.00 72.12 H new ATOM 0 HA LEU A 91 -8.160 -9.684 -8.266 1.00 14.12 H new ATOM 0 HB2 LEU A 91 -6.460 -10.203 -6.186 1.00 44.45 H new ATOM 0 HB3 LEU A 91 -5.307 -9.933 -7.477 1.00 44.45 H new ATOM 0 HG LEU A 91 -5.654 -7.879 -6.273 1.00 23.50 H new ATOM 0 HD11 LEU A 91 -6.374 -6.397 -8.103 1.00 32.20 H new ATOM 0 HD12 LEU A 91 -5.299 -7.690 -8.685 1.00 32.20 H new ATOM 0 HD13 LEU A 91 -7.054 -7.797 -8.965 1.00 32.20 H new ATOM 0 HD21 LEU A 91 -7.858 -6.782 -6.170 1.00 11.21 H new ATOM 0 HD22 LEU A 91 -8.595 -8.199 -6.956 1.00 11.21 H new ATOM 0 HD23 LEU A 91 -7.865 -8.357 -5.340 1.00 11.21 H new ATOM 1441 N GLU A 92 -5.807 -11.531 -9.647 1.00 32.41 N ATOM 1442 CA GLU A 92 -5.102 -11.789 -10.897 1.00 53.32 C ATOM 1443 C GLU A 92 -6.075 -12.221 -11.991 1.00 43.51 C ATOM 1444 O GLU A 92 -5.815 -12.030 -13.179 1.00 65.02 O ATOM 1445 CB GLU A 92 -4.035 -12.866 -10.694 1.00 43.12 C ATOM 1446 CG GLU A 92 -2.971 -12.881 -11.779 1.00 50.32 C ATOM 1447 CD GLU A 92 -2.184 -14.176 -11.807 1.00 22.44 C ATOM 1448 OE1 GLU A 92 -2.235 -14.924 -10.808 1.00 11.23 O ATOM 1449 OE2 GLU A 92 -1.516 -14.443 -12.828 1.00 53.31 O ATOM 0 H GLU A 92 -5.619 -12.209 -8.909 1.00 32.41 H new ATOM 0 HA GLU A 92 -4.618 -10.863 -11.209 1.00 53.32 H new ATOM 0 HB2 GLU A 92 -3.555 -12.712 -9.728 1.00 43.12 H new ATOM 0 HB3 GLU A 92 -4.518 -13.842 -10.657 1.00 43.12 H new ATOM 0 HG2 GLU A 92 -3.444 -12.727 -12.749 1.00 50.32 H new ATOM 0 HG3 GLU A 92 -2.286 -12.048 -11.623 1.00 50.32 H new ATOM 1456 N VAL A 93 -7.196 -12.804 -11.581 1.00 74.10 N ATOM 1457 CA VAL A 93 -8.209 -13.263 -12.525 1.00 24.03 C ATOM 1458 C VAL A 93 -9.296 -12.212 -12.719 1.00 22.03 C ATOM 1459 O VAL A 93 -9.580 -11.422 -11.817 1.00 25.41 O ATOM 1460 CB VAL A 93 -8.859 -14.578 -12.055 1.00 0.21 C ATOM 1461 CG1 VAL A 93 -9.750 -15.153 -13.146 1.00 5.23 C ATOM 1462 CG2 VAL A 93 -7.793 -15.581 -11.642 1.00 22.14 C ATOM 0 H VAL A 93 -7.426 -12.970 -10.601 1.00 74.10 H new ATOM 0 HA VAL A 93 -7.702 -13.436 -13.474 1.00 24.03 H new ATOM 0 HB VAL A 93 -9.481 -14.365 -11.186 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.201 -16.082 -12.796 1.00 5.23 H new ATOM 0 HG12 VAL A 93 -10.536 -14.438 -13.389 1.00 5.23 H new ATOM 0 HG13 VAL A 93 -9.153 -15.352 -14.036 1.00 5.23 H new ATOM 0 HG21 VAL A 93 -8.270 -16.504 -11.313 1.00 22.14 H new ATOM 0 HG22 VAL A 93 -7.143 -15.791 -12.491 1.00 22.14 H new ATOM 0 HG23 VAL A 93 -7.201 -15.167 -10.826 1.00 22.14 H new ATOM 1472 N LEU A 94 -9.902 -12.208 -13.901 1.00 12.53 N ATOM 1473 CA LEU A 94 -10.960 -11.253 -14.214 1.00 72.31 C ATOM 1474 C LEU A 94 -11.665 -11.629 -15.513 1.00 74.53 C ATOM 1475 O LEU A 94 -11.240 -12.543 -16.221 1.00 34.35 O ATOM 1476 CB LEU A 94 -10.384 -9.841 -14.324 1.00 1.41 C ATOM 1477 CG LEU A 94 -9.987 -9.385 -15.729 1.00 1.05 C ATOM 1478 CD1 LEU A 94 -11.062 -8.489 -16.323 1.00 12.21 C ATOM 1479 CD2 LEU A 94 -8.647 -8.664 -15.697 1.00 30.24 C ATOM 0 H LEU A 94 -9.679 -12.854 -14.658 1.00 12.53 H new ATOM 0 HA LEU A 94 -11.690 -11.279 -13.405 1.00 72.31 H new ATOM 0 HB2 LEU A 94 -11.119 -9.139 -13.930 1.00 1.41 H new ATOM 0 HB3 LEU A 94 -9.506 -9.777 -13.681 1.00 1.41 H new ATOM 0 HG LEU A 94 -9.888 -10.267 -16.362 1.00 1.05 H new ATOM 0 HD11 LEU A 94 -10.762 -8.174 -17.323 1.00 12.21 H new ATOM 0 HD12 LEU A 94 -12.002 -9.038 -16.382 1.00 12.21 H new ATOM 0 HD13 LEU A 94 -11.194 -7.611 -15.691 1.00 12.21 H new ATOM 0 HD21 LEU A 94 -8.380 -8.347 -16.705 1.00 30.24 H new ATOM 0 HD22 LEU A 94 -8.719 -7.791 -15.049 1.00 30.24 H new ATOM 0 HD23 LEU A 94 -7.880 -9.338 -15.314 1.00 30.24 H new ATOM 1491 N PHE A 95 -12.744 -10.918 -15.823 1.00 10.54 N ATOM 1492 CA PHE A 95 -13.508 -11.176 -17.038 1.00 1.33 C ATOM 1493 C PHE A 95 -12.611 -11.103 -18.270 1.00 3.22 C ATOM 1494 O PHE A 95 -11.407 -10.872 -18.162 1.00 13.05 O ATOM 1495 CB PHE A 95 -14.655 -10.171 -17.168 1.00 24.03 C ATOM 1496 CG PHE A 95 -15.654 -10.254 -16.050 1.00 32.42 C ATOM 1497 CD1 PHE A 95 -16.709 -11.151 -16.111 1.00 63.12 C ATOM 1498 CD2 PHE A 95 -15.539 -9.437 -14.937 1.00 51.43 C ATOM 1499 CE1 PHE A 95 -17.630 -11.229 -15.084 1.00 73.22 C ATOM 1500 CE2 PHE A 95 -16.458 -9.510 -13.907 1.00 25.51 C ATOM 1501 CZ PHE A 95 -17.504 -10.409 -13.980 1.00 41.22 C ATOM 0 H PHE A 95 -13.109 -10.158 -15.249 1.00 10.54 H new ATOM 0 HA PHE A 95 -13.922 -12.182 -16.970 1.00 1.33 H new ATOM 0 HB2 PHE A 95 -14.242 -9.163 -17.201 1.00 24.03 H new ATOM 0 HB3 PHE A 95 -15.167 -10.337 -18.116 1.00 24.03 H new ATOM 0 HD1 PHE A 95 -16.812 -11.796 -16.971 1.00 63.12 H new ATOM 0 HD2 PHE A 95 -14.721 -8.734 -14.873 1.00 51.43 H new ATOM 0 HE1 PHE A 95 -18.448 -11.931 -15.145 1.00 73.22 H new ATOM 0 HE2 PHE A 95 -16.358 -8.865 -13.046 1.00 25.51 H new ATOM 0 HZ PHE A 95 -18.222 -10.471 -13.175 1.00 41.22 H new ATOM 1511 N ASN A 96 -13.207 -11.302 -19.441 1.00 23.20 N ATOM 1512 CA ASN A 96 -12.462 -11.260 -20.694 1.00 72.53 C ATOM 1513 C ASN A 96 -13.339 -10.744 -21.831 1.00 71.10 C ATOM 1514 O ASN A 96 -13.101 -11.047 -22.999 1.00 52.14 O ATOM 1515 CB ASN A 96 -11.926 -12.651 -21.040 1.00 35.30 C ATOM 1516 CG ASN A 96 -10.752 -13.051 -20.169 1.00 25.34 C ATOM 1517 OD1 ASN A 96 -9.605 -13.054 -20.616 1.00 42.04 O ATOM 1518 ND2 ASN A 96 -11.033 -13.392 -18.916 1.00 61.13 N ATOM 0 H ASN A 96 -14.203 -11.494 -19.548 1.00 23.20 H new ATOM 0 HA ASN A 96 -11.623 -10.576 -20.566 1.00 72.53 H new ATOM 0 HB2 ASN A 96 -12.725 -13.384 -20.927 1.00 35.30 H new ATOM 0 HB3 ASN A 96 -11.622 -12.670 -22.086 1.00 35.30 H new ATOM 0 HD21 ASN A 96 -10.283 -13.670 -18.283 1.00 61.13 H new ATOM 0 HD22 ASN A 96 -11.998 -13.375 -18.587 1.00 61.13 H new ATOM 1525 N GLY A 97 -14.355 -9.962 -21.479 1.00 41.51 N ATOM 1526 CA GLY A 97 -15.252 -9.415 -22.481 1.00 2.14 C ATOM 1527 C GLY A 97 -16.187 -10.461 -23.054 1.00 11.10 C ATOM 1528 O GLY A 97 -16.056 -10.877 -24.205 1.00 74.23 O ATOM 0 H GLY A 97 -14.573 -9.697 -20.518 1.00 41.51 H new ATOM 0 HA2 GLY A 97 -15.839 -8.611 -22.038 1.00 2.14 H new ATOM 0 HA3 GLY A 97 -14.666 -8.975 -23.288 1.00 2.14 H new ATOM 1532 N PRO A 98 -17.156 -10.904 -22.239 1.00 54.15 N ATOM 1533 CA PRO A 98 -18.135 -11.914 -22.651 1.00 35.54 C ATOM 1534 C PRO A 98 -19.117 -11.382 -23.689 1.00 64.25 C ATOM 1535 O PRO A 98 -19.792 -12.153 -24.373 1.00 11.12 O ATOM 1536 CB PRO A 98 -18.866 -12.251 -21.348 1.00 60.13 C ATOM 1537 CG PRO A 98 -18.712 -11.035 -20.502 1.00 52.54 C ATOM 1538 CD PRO A 98 -17.371 -10.452 -20.855 1.00 15.14 C ATOM 0 HA PRO A 98 -17.659 -12.773 -23.125 1.00 35.54 H new ATOM 0 HB2 PRO A 98 -19.917 -12.476 -21.530 1.00 60.13 H new ATOM 0 HB3 PRO A 98 -18.432 -13.127 -20.865 1.00 60.13 H new ATOM 0 HG2 PRO A 98 -19.512 -10.320 -20.697 1.00 52.54 H new ATOM 0 HG3 PRO A 98 -18.761 -11.288 -19.443 1.00 52.54 H new ATOM 0 HD2 PRO A 98 -17.374 -9.364 -20.783 1.00 15.14 H new ATOM 0 HD3 PRO A 98 -16.588 -10.813 -20.188 1.00 15.14 H new ATOM 1546 N LEU A 99 -19.190 -10.061 -23.804 1.00 54.21 N ATOM 1547 CA LEU A 99 -20.089 -9.425 -24.761 1.00 53.20 C ATOM 1548 C LEU A 99 -19.412 -9.260 -26.118 1.00 32.31 C ATOM 1549 O LEU A 99 -18.479 -8.471 -26.265 1.00 33.45 O ATOM 1550 CB LEU A 99 -20.543 -8.062 -24.236 1.00 52.41 C ATOM 1551 CG LEU A 99 -21.926 -7.593 -24.691 1.00 62.45 C ATOM 1552 CD1 LEU A 99 -23.015 -8.414 -24.019 1.00 74.34 C ATOM 1553 CD2 LEU A 99 -22.112 -6.112 -24.395 1.00 62.51 C ATOM 0 H LEU A 99 -18.638 -9.409 -23.247 1.00 54.21 H new ATOM 0 HA LEU A 99 -20.960 -10.068 -24.886 1.00 53.20 H new ATOM 0 HB2 LEU A 99 -20.532 -8.093 -23.146 1.00 52.41 H new ATOM 0 HB3 LEU A 99 -19.810 -7.315 -24.541 1.00 52.41 H new ATOM 0 HG LEU A 99 -22.002 -7.739 -25.769 1.00 62.45 H new ATOM 0 HD11 LEU A 99 -23.992 -8.066 -24.355 1.00 74.34 H new ATOM 0 HD12 LEU A 99 -22.893 -9.465 -24.283 1.00 74.34 H new ATOM 0 HD13 LEU A 99 -22.941 -8.300 -22.937 1.00 74.34 H new ATOM 0 HD21 LEU A 99 -23.102 -5.796 -24.726 1.00 62.51 H new ATOM 0 HD22 LEU A 99 -22.016 -5.940 -23.323 1.00 62.51 H new ATOM 0 HD23 LEU A 99 -21.352 -5.537 -24.924 1.00 62.51 H new ATOM 1565 N GLU A 100 -19.890 -10.009 -27.107 1.00 14.11 N ATOM 1566 CA GLU A 100 -19.331 -9.944 -28.452 1.00 73.11 C ATOM 1567 C GLU A 100 -20.104 -8.951 -29.315 1.00 40.31 C ATOM 1568 O GLU A 100 -19.884 -8.859 -30.523 1.00 53.44 O ATOM 1569 CB GLU A 100 -19.353 -11.328 -29.105 1.00 1.04 C ATOM 1570 CG GLU A 100 -20.749 -11.813 -29.457 1.00 31.12 C ATOM 1571 CD GLU A 100 -20.923 -12.062 -30.943 1.00 24.15 C ATOM 1572 OE1 GLU A 100 -21.005 -11.075 -31.703 1.00 52.02 O ATOM 1573 OE2 GLU A 100 -20.976 -13.243 -31.344 1.00 71.14 O ATOM 0 H GLU A 100 -20.662 -10.667 -27.002 1.00 14.11 H new ATOM 0 HA GLU A 100 -18.299 -9.604 -28.372 1.00 73.11 H new ATOM 0 HB2 GLU A 100 -18.747 -11.303 -30.011 1.00 1.04 H new ATOM 0 HB3 GLU A 100 -18.887 -12.046 -28.430 1.00 1.04 H new ATOM 0 HG2 GLU A 100 -20.958 -12.733 -28.911 1.00 31.12 H new ATOM 0 HG3 GLU A 100 -21.480 -11.074 -29.128 1.00 31.12 H new ATOM 1580 N HIS A 101 -21.010 -8.209 -28.686 1.00 74.22 N ATOM 1581 CA HIS A 101 -21.816 -7.222 -29.396 1.00 34.12 C ATOM 1582 C HIS A 101 -22.622 -7.880 -30.512 1.00 51.32 C ATOM 1583 O HIS A 101 -23.218 -8.940 -30.319 1.00 21.03 O ATOM 1584 CB HIS A 101 -20.923 -6.124 -29.974 1.00 75.01 C ATOM 1585 CG HIS A 101 -21.635 -5.214 -30.928 1.00 3.15 C ATOM 1586 ND1 HIS A 101 -22.565 -4.279 -30.524 1.00 23.32 N ATOM 1587 CD2 HIS A 101 -21.546 -5.098 -32.273 1.00 54.42 C ATOM 1588 CE1 HIS A 101 -23.019 -3.629 -31.580 1.00 40.30 C ATOM 1589 NE2 HIS A 101 -22.417 -4.106 -32.654 1.00 45.02 N ATOM 0 H HIS A 101 -21.204 -8.272 -27.687 1.00 74.22 H new ATOM 0 HA HIS A 101 -22.511 -6.777 -28.684 1.00 34.12 H new ATOM 0 HB2 HIS A 101 -20.514 -5.531 -29.156 1.00 75.01 H new ATOM 0 HB3 HIS A 101 -20.079 -6.586 -30.486 1.00 75.01 H new ATOM 0 HD2 HIS A 101 -20.909 -5.677 -32.925 1.00 54.42 H new ATOM 0 HE1 HIS A 101 -23.757 -2.841 -31.567 1.00 40.30 H new ATOM 0 HE2 HIS A 101 -22.573 -3.789 -33.611 1.00 45.02 H new TER 1597 HIS A 101