USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot -77:sc= 1.09 USER MOD Set 1.2: A 70 TYR OH : rot 129:sc= 0.0233 USER MOD Set 2.1: A 55 GLN : amide:sc= 0.808 K(o=0.46,f=-8.8!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 143:sc= -0.349! (180deg=-2.06!) USER MOD Set 3.1: A 1 MET N :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 3.2: A 26 ASN : amide:sc= 0.0574 K(o=0.057,f=-3.3!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0931 (180deg=-0.675) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -97:sc= 0.0323 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 50:sc= 0.454 USER MOD Single : A 24 ASN : amide:sc= -0.894 K(o=-0.89,f=-7.3!) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.000449 F(o=-0.82,f=-0.00045) USER MOD Single : A 38 MET CE :methyl -171:sc= -0.663 (180deg=-0.998) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 47 ASN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.219) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.641 13.383 7.412 1.00 73.12 N ATOM 2 CA MET A 1 -4.067 13.350 6.040 1.00 11.15 C ATOM 3 C MET A 1 -4.915 12.477 5.107 1.00 24.13 C ATOM 4 O MET A 1 -4.986 11.258 5.278 1.00 13.44 O ATOM 5 CB MET A 1 -2.629 12.805 6.079 1.00 51.24 C ATOM 6 CG MET A 1 -1.908 12.861 4.734 1.00 43.25 C ATOM 7 SD MET A 1 -0.371 11.912 4.719 1.00 50.34 S ATOM 8 CE MET A 1 -1.005 10.234 4.723 1.00 63.15 C ATOM 0 H1 MET A 1 -4.108 14.059 7.995 1.00 73.12 H new ATOM 0 H2 MET A 1 -5.637 13.677 7.364 1.00 73.12 H new ATOM 0 H3 MET A 1 -4.580 12.436 7.837 1.00 73.12 H new ATOM 0 HA MET A 1 -4.062 14.370 5.656 1.00 11.15 H new ATOM 0 HB2 MET A 1 -2.056 13.373 6.811 1.00 51.24 H new ATOM 0 HB3 MET A 1 -2.652 11.772 6.425 1.00 51.24 H new ATOM 0 HG2 MET A 1 -2.571 12.481 3.956 1.00 43.25 H new ATOM 0 HG3 MET A 1 -1.690 13.900 4.488 1.00 43.25 H new ATOM 0 HE1 MET A 1 -0.234 9.553 4.364 1.00 63.15 H new ATOM 0 HE2 MET A 1 -1.291 9.956 5.737 1.00 63.15 H new ATOM 0 HE3 MET A 1 -1.876 10.173 4.070 1.00 63.15 H new ATOM 20 N ASP A 2 -5.557 13.104 4.125 1.00 35.23 N ATOM 21 CA ASP A 2 -6.329 12.377 3.112 1.00 4.41 C ATOM 22 C ASP A 2 -5.460 12.109 1.870 1.00 35.30 C ATOM 23 O ASP A 2 -4.432 12.762 1.668 1.00 63.53 O ATOM 24 CB ASP A 2 -7.588 13.172 2.743 1.00 20.23 C ATOM 25 CG ASP A 2 -8.517 12.401 1.820 1.00 11.40 C ATOM 26 OD1 ASP A 2 -8.786 11.213 2.101 1.00 63.31 O ATOM 27 OD2 ASP A 2 -8.987 12.980 0.821 1.00 73.04 O ATOM 0 H ASP A 2 -5.560 14.117 4.006 1.00 35.23 H new ATOM 0 HA ASP A 2 -6.639 11.415 3.520 1.00 4.41 H new ATOM 0 HB2 ASP A 2 -8.125 13.438 3.653 1.00 20.23 H new ATOM 0 HB3 ASP A 2 -7.296 14.105 2.261 1.00 20.23 H new ATOM 32 N VAL A 3 -5.867 11.148 1.042 1.00 43.11 N ATOM 33 CA VAL A 3 -5.049 10.715 -0.101 1.00 10.30 C ATOM 34 C VAL A 3 -5.827 10.728 -1.428 1.00 53.03 C ATOM 35 O VAL A 3 -6.868 10.081 -1.566 1.00 71.55 O ATOM 36 CB VAL A 3 -4.473 9.296 0.141 1.00 21.23 C ATOM 37 CG1 VAL A 3 -3.713 8.787 -1.087 1.00 30.22 C ATOM 38 CG2 VAL A 3 -3.573 9.292 1.377 1.00 34.44 C ATOM 0 H VAL A 3 -6.754 10.653 1.136 1.00 43.11 H new ATOM 0 HA VAL A 3 -4.236 11.436 -0.184 1.00 10.30 H new ATOM 0 HB VAL A 3 -5.308 8.617 0.316 1.00 21.23 H new ATOM 0 HG11 VAL A 3 -3.322 7.790 -0.885 1.00 30.22 H new ATOM 0 HG12 VAL A 3 -4.388 8.746 -1.942 1.00 30.22 H new ATOM 0 HG13 VAL A 3 -2.887 9.463 -1.310 1.00 30.22 H new ATOM 0 HG21 VAL A 3 -3.176 8.289 1.535 1.00 34.44 H new ATOM 0 HG22 VAL A 3 -2.749 9.990 1.229 1.00 34.44 H new ATOM 0 HG23 VAL A 3 -4.152 9.594 2.250 1.00 34.44 H new ATOM 48 N GLU A 4 -5.301 11.470 -2.403 1.00 4.43 N ATOM 49 CA GLU A 4 -5.860 11.505 -3.758 1.00 44.30 C ATOM 50 C GLU A 4 -5.226 10.417 -4.650 1.00 23.44 C ATOM 51 O GLU A 4 -4.105 9.970 -4.395 1.00 62.33 O ATOM 52 CB GLU A 4 -5.611 12.886 -4.379 1.00 32.31 C ATOM 53 CG GLU A 4 -6.212 14.041 -3.586 1.00 22.21 C ATOM 54 CD GLU A 4 -5.693 15.391 -4.051 1.00 1.14 C ATOM 55 OE1 GLU A 4 -6.295 15.981 -4.973 1.00 52.41 O ATOM 56 OE2 GLU A 4 -4.669 15.854 -3.508 1.00 41.31 O ATOM 0 H GLU A 4 -4.479 12.062 -2.279 1.00 4.43 H new ATOM 0 HA GLU A 4 -6.931 11.313 -3.692 1.00 44.30 H new ATOM 0 HB2 GLU A 4 -4.536 13.043 -4.471 1.00 32.31 H new ATOM 0 HB3 GLU A 4 -6.023 12.899 -5.388 1.00 32.31 H new ATOM 0 HG2 GLU A 4 -7.298 14.019 -3.682 1.00 22.21 H new ATOM 0 HG3 GLU A 4 -5.983 13.911 -2.528 1.00 22.21 H new ATOM 63 N PRO A 5 -5.929 9.973 -5.712 1.00 31.21 N ATOM 64 CA PRO A 5 -5.391 8.976 -6.659 1.00 62.54 C ATOM 65 C PRO A 5 -4.179 9.503 -7.461 1.00 23.24 C ATOM 66 O PRO A 5 -4.263 10.533 -8.137 1.00 1.50 O ATOM 67 CB PRO A 5 -6.579 8.684 -7.596 1.00 71.04 C ATOM 68 CG PRO A 5 -7.784 9.215 -6.886 1.00 3.44 C ATOM 69 CD PRO A 5 -7.297 10.382 -6.070 1.00 5.42 C ATOM 0 HA PRO A 5 -5.016 8.094 -6.141 1.00 62.54 H new ATOM 0 HB2 PRO A 5 -6.446 9.170 -8.562 1.00 71.04 H new ATOM 0 HB3 PRO A 5 -6.675 7.615 -7.788 1.00 71.04 H new ATOM 0 HG2 PRO A 5 -8.550 9.527 -7.596 1.00 3.44 H new ATOM 0 HG3 PRO A 5 -8.231 8.452 -6.249 1.00 3.44 H new ATOM 0 HD2 PRO A 5 -7.306 11.309 -6.643 1.00 5.42 H new ATOM 0 HD3 PRO A 5 -7.915 10.546 -5.188 1.00 5.42 H new ATOM 77 N GLY A 6 -3.060 8.784 -7.386 1.00 61.01 N ATOM 78 CA GLY A 6 -1.838 9.184 -8.087 1.00 0.12 C ATOM 79 C GLY A 6 -0.834 9.922 -7.198 1.00 52.12 C ATOM 80 O GLY A 6 0.169 10.447 -7.690 1.00 35.44 O ATOM 0 H GLY A 6 -2.973 7.922 -6.848 1.00 61.01 H new ATOM 0 HA2 GLY A 6 -1.360 8.296 -8.501 1.00 0.12 H new ATOM 0 HA3 GLY A 6 -2.105 9.824 -8.928 1.00 0.12 H new ATOM 84 N LYS A 7 -1.090 9.952 -5.888 1.00 21.53 N ATOM 85 CA LYS A 7 -0.248 10.706 -4.942 1.00 11.34 C ATOM 86 C LYS A 7 0.861 9.852 -4.301 1.00 51.32 C ATOM 87 O LYS A 7 0.787 8.623 -4.257 1.00 42.14 O ATOM 88 CB LYS A 7 -1.122 11.335 -3.847 1.00 0.44 C ATOM 89 CG LYS A 7 -1.995 12.479 -4.347 1.00 52.22 C ATOM 90 CD LYS A 7 -1.150 13.650 -4.837 1.00 23.34 C ATOM 91 CE LYS A 7 -2.003 14.792 -5.371 1.00 11.05 C ATOM 92 NZ LYS A 7 -1.165 15.924 -5.840 1.00 22.33 N ATOM 0 H LYS A 7 -1.873 9.464 -5.453 1.00 21.53 H new ATOM 0 HA LYS A 7 0.250 11.485 -5.520 1.00 11.34 H new ATOM 0 HB2 LYS A 7 -1.760 10.564 -3.415 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -0.479 11.702 -3.047 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -2.633 12.125 -5.157 1.00 52.22 H new ATOM 0 HG3 LYS A 7 -2.653 12.814 -3.545 1.00 52.22 H new ATOM 0 HD2 LYS A 7 -0.529 14.015 -4.019 1.00 23.34 H new ATOM 0 HD3 LYS A 7 -0.475 13.306 -5.621 1.00 23.34 H new ATOM 0 HE2 LYS A 7 -2.622 14.432 -6.192 1.00 11.05 H new ATOM 0 HE3 LYS A 7 -2.680 15.138 -4.590 1.00 11.05 H new ATOM 0 HZ1 LYS A 7 -1.778 16.685 -6.197 1.00 22.33 H new ATOM 0 HZ2 LYS A 7 -0.593 16.283 -5.049 1.00 22.33 H new ATOM 0 HZ3 LYS A 7 -0.537 15.598 -6.602 1.00 22.33 H new ATOM 106 N PHE A 8 1.884 10.538 -3.792 1.00 34.42 N ATOM 107 CA PHE A 8 3.045 9.892 -3.161 1.00 4.53 C ATOM 108 C PHE A 8 2.968 9.996 -1.626 1.00 54.23 C ATOM 109 O PHE A 8 2.897 11.100 -1.081 1.00 71.22 O ATOM 110 CB PHE A 8 4.340 10.566 -3.648 1.00 65.23 C ATOM 111 CG PHE A 8 4.545 10.529 -5.147 1.00 23.13 C ATOM 112 CD1 PHE A 8 3.731 11.268 -6.001 1.00 64.41 C ATOM 113 CD2 PHE A 8 5.560 9.763 -5.702 1.00 72.03 C ATOM 114 CE1 PHE A 8 3.927 11.235 -7.369 1.00 34.30 C ATOM 115 CE2 PHE A 8 5.758 9.731 -7.071 1.00 12.23 C ATOM 116 CZ PHE A 8 4.942 10.467 -7.904 1.00 42.14 C ATOM 0 H PHE A 8 1.936 11.557 -3.803 1.00 34.42 H new ATOM 0 HA PHE A 8 3.043 8.839 -3.441 1.00 4.53 H new ATOM 0 HB2 PHE A 8 4.338 11.606 -3.320 1.00 65.23 H new ATOM 0 HB3 PHE A 8 5.189 10.082 -3.166 1.00 65.23 H new ATOM 0 HD1 PHE A 8 2.937 11.874 -5.590 1.00 64.41 H new ATOM 0 HD2 PHE A 8 6.204 9.184 -5.057 1.00 72.03 H new ATOM 0 HE1 PHE A 8 3.286 11.811 -8.020 1.00 34.30 H new ATOM 0 HE2 PHE A 8 6.552 9.129 -7.487 1.00 12.23 H new ATOM 0 HZ PHE A 8 5.097 10.443 -8.973 1.00 42.14 H new ATOM 126 N TYR A 9 2.990 8.857 -0.929 1.00 34.35 N ATOM 127 CA TYR A 9 2.922 8.842 0.545 1.00 65.10 C ATOM 128 C TYR A 9 3.699 7.667 1.157 1.00 44.21 C ATOM 129 O TYR A 9 3.835 6.606 0.549 1.00 3.43 O ATOM 130 CB TYR A 9 1.465 8.766 1.030 1.00 31.13 C ATOM 131 CG TYR A 9 0.648 10.024 0.798 1.00 42.22 C ATOM 132 CD1 TYR A 9 0.806 11.139 1.617 1.00 41.11 C ATOM 133 CD2 TYR A 9 -0.284 10.097 -0.232 1.00 12.31 C ATOM 134 CE1 TYR A 9 0.059 12.283 1.418 1.00 31.04 C ATOM 135 CE2 TYR A 9 -1.033 11.240 -0.434 1.00 63.10 C ATOM 136 CZ TYR A 9 -0.855 12.329 0.392 1.00 12.21 C ATOM 137 OH TYR A 9 -1.600 13.467 0.192 1.00 5.24 O ATOM 0 H TYR A 9 3.054 7.932 -1.355 1.00 34.35 H new ATOM 0 HA TYR A 9 3.381 9.774 0.875 1.00 65.10 H new ATOM 0 HB2 TYR A 9 0.973 7.933 0.528 1.00 31.13 H new ATOM 0 HB3 TYR A 9 1.464 8.541 2.096 1.00 31.13 H new ATOM 0 HD1 TYR A 9 1.525 11.108 2.422 1.00 41.11 H new ATOM 0 HD2 TYR A 9 -0.424 9.247 -0.884 1.00 12.31 H new ATOM 0 HE1 TYR A 9 0.192 13.137 2.065 1.00 31.04 H new ATOM 0 HE2 TYR A 9 -1.755 11.280 -1.236 1.00 63.10 H new ATOM 0 HH TYR A 9 -2.477 13.363 0.616 1.00 5.24 H new ATOM 147 N LYS A 10 4.193 7.862 2.376 1.00 15.14 N ATOM 148 CA LYS A 10 4.802 6.772 3.140 1.00 52.35 C ATOM 149 C LYS A 10 3.750 6.109 4.041 1.00 42.43 C ATOM 150 O LYS A 10 3.042 6.789 4.789 1.00 40.20 O ATOM 151 CB LYS A 10 5.968 7.284 4.001 1.00 61.44 C ATOM 152 CG LYS A 10 6.719 6.166 4.729 1.00 55.01 C ATOM 153 CD LYS A 10 7.674 6.700 5.796 1.00 52.31 C ATOM 154 CE LYS A 10 8.731 7.636 5.222 1.00 21.44 C ATOM 155 NZ LYS A 10 9.710 8.057 6.260 1.00 34.14 N ATOM 0 H LYS A 10 4.185 8.761 2.857 1.00 15.14 H new ATOM 0 HA LYS A 10 5.190 6.040 2.432 1.00 52.35 H new ATOM 0 HB2 LYS A 10 6.667 7.829 3.367 1.00 61.44 H new ATOM 0 HB3 LYS A 10 5.585 7.993 4.735 1.00 61.44 H new ATOM 0 HG2 LYS A 10 5.999 5.493 5.195 1.00 55.01 H new ATOM 0 HG3 LYS A 10 7.282 5.579 4.004 1.00 55.01 H new ATOM 0 HD2 LYS A 10 7.102 7.228 6.559 1.00 52.31 H new ATOM 0 HD3 LYS A 10 8.166 5.862 6.290 1.00 52.31 H new ATOM 0 HE2 LYS A 10 9.256 7.137 4.407 1.00 21.44 H new ATOM 0 HE3 LYS A 10 8.247 8.516 4.799 1.00 21.44 H new ATOM 0 HZ1 LYS A 10 10.415 8.693 5.835 1.00 34.14 H new ATOM 0 HZ2 LYS A 10 9.212 8.554 7.026 1.00 34.14 H new ATOM 0 HZ3 LYS A 10 10.189 7.218 6.646 1.00 34.14 H new ATOM 169 N GLY A 11 3.650 4.789 3.969 1.00 23.31 N ATOM 170 CA GLY A 11 2.665 4.068 4.767 1.00 2.44 C ATOM 171 C GLY A 11 3.261 2.903 5.541 1.00 13.34 C ATOM 172 O GLY A 11 4.372 2.458 5.253 1.00 21.45 O ATOM 0 H GLY A 11 4.232 4.200 3.373 1.00 23.31 H new ATOM 0 HA2 GLY A 11 2.197 4.760 5.467 1.00 2.44 H new ATOM 0 HA3 GLY A 11 1.877 3.696 4.112 1.00 2.44 H new ATOM 176 N VAL A 12 2.519 2.399 6.522 1.00 71.40 N ATOM 177 CA VAL A 12 2.990 1.282 7.347 1.00 11.02 C ATOM 178 C VAL A 12 2.206 -0.013 7.064 1.00 71.43 C ATOM 179 O VAL A 12 0.974 -0.006 6.963 1.00 51.43 O ATOM 180 CB VAL A 12 2.908 1.631 8.856 1.00 51.54 C ATOM 181 CG1 VAL A 12 1.469 1.922 9.280 1.00 33.12 C ATOM 182 CG2 VAL A 12 3.521 0.515 9.699 1.00 45.31 C ATOM 0 H VAL A 12 1.591 2.742 6.768 1.00 71.40 H new ATOM 0 HA VAL A 12 4.033 1.110 7.080 1.00 11.02 H new ATOM 0 HB VAL A 12 3.486 2.539 9.026 1.00 51.54 H new ATOM 0 HG11 VAL A 12 1.445 2.163 10.343 1.00 33.12 H new ATOM 0 HG12 VAL A 12 1.085 2.766 8.707 1.00 33.12 H new ATOM 0 HG13 VAL A 12 0.850 1.045 9.093 1.00 33.12 H new ATOM 0 HG21 VAL A 12 3.454 0.778 10.755 1.00 45.31 H new ATOM 0 HG22 VAL A 12 2.980 -0.414 9.522 1.00 45.31 H new ATOM 0 HG23 VAL A 12 4.567 0.384 9.423 1.00 45.31 H new ATOM 192 N VAL A 13 2.933 -1.120 6.921 1.00 53.33 N ATOM 193 CA VAL A 13 2.324 -2.425 6.658 1.00 44.13 C ATOM 194 C VAL A 13 1.647 -2.996 7.915 1.00 52.24 C ATOM 195 O VAL A 13 2.313 -3.308 8.902 1.00 33.14 O ATOM 196 CB VAL A 13 3.374 -3.443 6.143 1.00 51.35 C ATOM 197 CG1 VAL A 13 2.723 -4.793 5.851 1.00 33.41 C ATOM 198 CG2 VAL A 13 4.090 -2.902 4.907 1.00 4.21 C ATOM 0 H VAL A 13 3.951 -1.140 6.983 1.00 53.33 H new ATOM 0 HA VAL A 13 1.568 -2.267 5.888 1.00 44.13 H new ATOM 0 HB VAL A 13 4.118 -3.591 6.926 1.00 51.35 H new ATOM 0 HG11 VAL A 13 3.479 -5.491 5.491 1.00 33.41 H new ATOM 0 HG12 VAL A 13 2.272 -5.185 6.763 1.00 33.41 H new ATOM 0 HG13 VAL A 13 1.952 -4.668 5.090 1.00 33.41 H new ATOM 0 HG21 VAL A 13 4.822 -3.632 4.562 1.00 4.21 H new ATOM 0 HG22 VAL A 13 3.362 -2.717 4.117 1.00 4.21 H new ATOM 0 HG23 VAL A 13 4.597 -1.971 5.159 1.00 4.21 H new ATOM 208 N THR A 14 0.325 -3.134 7.871 1.00 43.21 N ATOM 209 CA THR A 14 -0.436 -3.670 9.011 1.00 2.53 C ATOM 210 C THR A 14 -0.344 -5.199 9.087 1.00 14.30 C ATOM 211 O THR A 14 -0.206 -5.765 10.170 1.00 74.52 O ATOM 212 CB THR A 14 -1.927 -3.273 8.944 1.00 1.13 C ATOM 213 OG1 THR A 14 -2.553 -3.869 7.794 1.00 51.14 O ATOM 214 CG2 THR A 14 -2.079 -1.759 8.881 1.00 64.32 C ATOM 0 H THR A 14 -0.246 -2.885 7.064 1.00 43.21 H new ATOM 0 HA THR A 14 0.015 -3.234 9.903 1.00 2.53 H new ATOM 0 HB THR A 14 -2.415 -3.639 9.848 1.00 1.13 H new ATOM 0 HG1 THR A 14 -2.131 -3.528 6.978 1.00 51.14 H new ATOM 0 HG21 THR A 14 -3.137 -1.501 8.834 1.00 64.32 H new ATOM 0 HG22 THR A 14 -1.635 -1.311 9.770 1.00 64.32 H new ATOM 0 HG23 THR A 14 -1.574 -1.379 7.993 1.00 64.32 H new ATOM 222 N ARG A 15 -0.439 -5.863 7.936 1.00 53.25 N ATOM 223 CA ARG A 15 -0.333 -7.329 7.875 1.00 24.24 C ATOM 224 C ARG A 15 0.108 -7.813 6.484 1.00 3.10 C ATOM 225 O ARG A 15 -0.137 -7.149 5.472 1.00 0.53 O ATOM 226 CB ARG A 15 -1.668 -7.987 8.262 1.00 10.43 C ATOM 227 CG ARG A 15 -2.854 -7.550 7.409 1.00 51.22 C ATOM 228 CD ARG A 15 -4.128 -8.288 7.803 1.00 55.23 C ATOM 229 NE ARG A 15 -5.302 -7.790 7.086 1.00 40.44 N ATOM 230 CZ ARG A 15 -6.095 -8.538 6.365 1.00 10.32 C ATOM 231 NH1 ARG A 15 -5.817 -9.785 6.162 1.00 23.21 N ATOM 232 NH2 ARG A 15 -7.156 -8.030 5.822 1.00 12.35 N ATOM 0 H ARG A 15 -0.589 -5.415 7.032 1.00 53.25 H new ATOM 0 HA ARG A 15 0.432 -7.626 8.592 1.00 24.24 H new ATOM 0 HB2 ARG A 15 -1.561 -9.069 8.188 1.00 10.43 H new ATOM 0 HB3 ARG A 15 -1.883 -7.759 9.306 1.00 10.43 H new ATOM 0 HG2 ARG A 15 -3.006 -6.476 7.518 1.00 51.22 H new ATOM 0 HG3 ARG A 15 -2.635 -7.736 6.357 1.00 51.22 H new ATOM 0 HD2 ARG A 15 -4.006 -9.352 7.601 1.00 55.23 H new ATOM 0 HD3 ARG A 15 -4.289 -8.183 8.876 1.00 55.23 H new ATOM 0 HE ARG A 15 -5.515 -6.795 7.153 1.00 40.44 H new ATOM 0 HH11 ARG A 15 -4.973 -10.192 6.566 1.00 23.21 H new ATOM 0 HH12 ARG A 15 -6.442 -10.361 5.598 1.00 23.21 H new ATOM 0 HH21 ARG A 15 -7.375 -7.043 5.956 1.00 12.35 H new ATOM 0 HH22 ARG A 15 -7.772 -8.617 5.260 1.00 12.35 H new ATOM 246 N ILE A 16 0.754 -8.979 6.450 1.00 73.42 N ATOM 247 CA ILE A 16 1.244 -9.572 5.200 1.00 70.44 C ATOM 248 C ILE A 16 0.272 -10.640 4.666 1.00 45.21 C ATOM 249 O ILE A 16 -0.036 -11.620 5.352 1.00 0.10 O ATOM 250 CB ILE A 16 2.645 -10.211 5.393 1.00 31.14 C ATOM 251 CG1 ILE A 16 3.662 -9.155 5.868 1.00 13.41 C ATOM 252 CG2 ILE A 16 3.119 -10.875 4.099 1.00 34.43 C ATOM 253 CD1 ILE A 16 3.879 -8.026 4.881 1.00 44.40 C ATOM 0 H ILE A 16 0.953 -9.537 7.280 1.00 73.42 H new ATOM 0 HA ILE A 16 1.316 -8.762 4.474 1.00 70.44 H new ATOM 0 HB ILE A 16 2.567 -10.980 6.161 1.00 31.14 H new ATOM 0 HG12 ILE A 16 3.321 -8.736 6.815 1.00 13.41 H new ATOM 0 HG13 ILE A 16 4.617 -9.645 6.061 1.00 13.41 H new ATOM 0 HG21 ILE A 16 4.103 -11.317 4.256 1.00 34.43 H new ATOM 0 HG22 ILE A 16 2.413 -11.654 3.810 1.00 34.43 H new ATOM 0 HG23 ILE A 16 3.179 -10.128 3.307 1.00 34.43 H new ATOM 0 HD11 ILE A 16 4.607 -7.324 5.286 1.00 44.40 H new ATOM 0 HD12 ILE A 16 4.251 -8.432 3.940 1.00 44.40 H new ATOM 0 HD13 ILE A 16 2.935 -7.509 4.706 1.00 44.40 H new ATOM 265 N GLU A 17 -0.198 -10.447 3.437 1.00 51.33 N ATOM 266 CA GLU A 17 -1.134 -11.376 2.797 1.00 63.24 C ATOM 267 C GLU A 17 -0.493 -12.064 1.583 1.00 53.34 C ATOM 268 O GLU A 17 0.407 -11.523 0.943 1.00 20.21 O ATOM 269 CB GLU A 17 -2.399 -10.626 2.357 1.00 52.31 C ATOM 270 CG GLU A 17 -3.205 -10.027 3.506 1.00 74.14 C ATOM 271 CD GLU A 17 -3.870 -11.082 4.377 1.00 0.01 C ATOM 272 OE1 GLU A 17 -4.840 -11.709 3.913 1.00 74.14 O ATOM 273 OE2 GLU A 17 -3.430 -11.288 5.528 1.00 62.20 O ATOM 0 H GLU A 17 0.055 -9.648 2.856 1.00 51.33 H new ATOM 0 HA GLU A 17 -1.398 -12.143 3.525 1.00 63.24 H new ATOM 0 HB2 GLU A 17 -2.114 -9.827 1.673 1.00 52.31 H new ATOM 0 HB3 GLU A 17 -3.038 -11.311 1.799 1.00 52.31 H new ATOM 0 HG2 GLU A 17 -2.548 -9.415 4.124 1.00 74.14 H new ATOM 0 HG3 GLU A 17 -3.969 -9.364 3.100 1.00 74.14 H new ATOM 280 N LYS A 18 -0.989 -13.253 1.254 1.00 35.11 N ATOM 281 CA LYS A 18 -0.493 -14.016 0.100 1.00 15.33 C ATOM 282 C LYS A 18 -0.894 -13.361 -1.238 1.00 10.54 C ATOM 283 O LYS A 18 -0.508 -13.824 -2.315 1.00 44.13 O ATOM 284 CB LYS A 18 -1.019 -15.455 0.179 1.00 3.33 C ATOM 285 CG LYS A 18 -0.525 -16.213 1.412 1.00 1.22 C ATOM 286 CD LYS A 18 -1.205 -17.571 1.568 1.00 74.23 C ATOM 287 CE LYS A 18 -2.702 -17.429 1.819 1.00 71.55 C ATOM 288 NZ LYS A 18 -3.359 -18.739 2.070 1.00 53.15 N ATOM 0 H LYS A 18 -1.738 -13.716 1.770 1.00 35.11 H new ATOM 0 HA LYS A 18 0.596 -14.023 0.135 1.00 15.33 H new ATOM 0 HB2 LYS A 18 -2.109 -15.436 0.185 1.00 3.33 H new ATOM 0 HB3 LYS A 18 -0.715 -15.995 -0.717 1.00 3.33 H new ATOM 0 HG2 LYS A 18 0.553 -16.355 1.341 1.00 1.22 H new ATOM 0 HG3 LYS A 18 -0.709 -15.612 2.303 1.00 1.22 H new ATOM 0 HD2 LYS A 18 -1.042 -18.165 0.668 1.00 74.23 H new ATOM 0 HD3 LYS A 18 -0.748 -18.114 2.395 1.00 74.23 H new ATOM 0 HE2 LYS A 18 -2.864 -16.774 2.675 1.00 71.55 H new ATOM 0 HE3 LYS A 18 -3.169 -16.950 0.958 1.00 71.55 H new ATOM 0 HZ1 LYS A 18 -4.375 -18.592 2.235 1.00 53.15 H new ATOM 0 HZ2 LYS A 18 -3.228 -19.357 1.244 1.00 53.15 H new ATOM 0 HZ3 LYS A 18 -2.933 -19.186 2.907 1.00 53.15 H new ATOM 302 N TYR A 19 -1.673 -12.282 -1.160 1.00 44.02 N ATOM 303 CA TYR A 19 -2.075 -11.515 -2.349 1.00 41.55 C ATOM 304 C TYR A 19 -1.648 -10.039 -2.247 1.00 51.05 C ATOM 305 O TYR A 19 -2.068 -9.206 -3.051 1.00 32.15 O ATOM 306 CB TYR A 19 -3.596 -11.625 -2.561 1.00 20.42 C ATOM 307 CG TYR A 19 -4.431 -11.300 -1.332 1.00 20.10 C ATOM 308 CD1 TYR A 19 -4.747 -12.290 -0.404 1.00 20.03 C ATOM 309 CD2 TYR A 19 -4.909 -10.012 -1.102 1.00 33.43 C ATOM 310 CE1 TYR A 19 -5.513 -12.007 0.708 1.00 12.15 C ATOM 311 CE2 TYR A 19 -5.675 -9.724 0.012 1.00 4.21 C ATOM 312 CZ TYR A 19 -5.973 -10.725 0.915 1.00 44.01 C ATOM 313 OH TYR A 19 -6.738 -10.444 2.027 1.00 62.31 O ATOM 0 H TYR A 19 -2.042 -11.914 -0.283 1.00 44.02 H new ATOM 0 HA TYR A 19 -1.563 -11.943 -3.211 1.00 41.55 H new ATOM 0 HB2 TYR A 19 -3.887 -10.954 -3.369 1.00 20.42 H new ATOM 0 HB3 TYR A 19 -3.832 -12.638 -2.887 1.00 20.42 H new ATOM 0 HD1 TYR A 19 -4.386 -13.296 -0.558 1.00 20.03 H new ATOM 0 HD2 TYR A 19 -4.677 -9.226 -1.805 1.00 33.43 H new ATOM 0 HE1 TYR A 19 -5.751 -12.788 1.414 1.00 12.15 H new ATOM 0 HE2 TYR A 19 -6.039 -8.720 0.175 1.00 4.21 H new ATOM 0 HH TYR A 19 -6.290 -10.787 2.828 1.00 62.31 H new ATOM 323 N GLY A 20 -0.798 -9.725 -1.268 1.00 24.54 N ATOM 324 CA GLY A 20 -0.329 -8.353 -1.087 1.00 44.13 C ATOM 325 C GLY A 20 -0.163 -7.970 0.379 1.00 31.43 C ATOM 326 O GLY A 20 -0.188 -8.824 1.256 1.00 73.42 O ATOM 0 H GLY A 20 -0.424 -10.395 -0.596 1.00 24.54 H new ATOM 0 HA2 GLY A 20 0.625 -8.230 -1.599 1.00 44.13 H new ATOM 0 HA3 GLY A 20 -1.034 -7.668 -1.558 1.00 44.13 H new ATOM 330 N ALA A 21 0.018 -6.684 0.649 1.00 34.44 N ATOM 331 CA ALA A 21 0.140 -6.190 2.025 1.00 35.12 C ATOM 332 C ALA A 21 -0.779 -4.984 2.267 1.00 55.22 C ATOM 333 O ALA A 21 -0.733 -4.003 1.526 1.00 20.13 O ATOM 334 CB ALA A 21 1.591 -5.818 2.320 1.00 12.43 C ATOM 0 H ALA A 21 0.084 -5.958 -0.065 1.00 34.44 H new ATOM 0 HA ALA A 21 -0.169 -6.987 2.701 1.00 35.12 H new ATOM 0 HB1 ALA A 21 1.672 -5.452 3.344 1.00 12.43 H new ATOM 0 HB2 ALA A 21 2.224 -6.697 2.197 1.00 12.43 H new ATOM 0 HB3 ALA A 21 1.914 -5.039 1.630 1.00 12.43 H new ATOM 340 N PHE A 22 -1.614 -5.059 3.302 1.00 41.05 N ATOM 341 CA PHE A 22 -2.515 -3.952 3.643 1.00 30.31 C ATOM 342 C PHE A 22 -1.758 -2.830 4.362 1.00 74.11 C ATOM 343 O PHE A 22 -1.314 -2.989 5.503 1.00 14.01 O ATOM 344 CB PHE A 22 -3.688 -4.447 4.500 1.00 61.35 C ATOM 345 CG PHE A 22 -4.702 -5.244 3.719 1.00 43.14 C ATOM 346 CD1 PHE A 22 -5.736 -4.605 3.047 1.00 63.05 C ATOM 347 CD2 PHE A 22 -4.620 -6.627 3.651 1.00 34.43 C ATOM 348 CE1 PHE A 22 -6.666 -5.330 2.326 1.00 32.43 C ATOM 349 CE2 PHE A 22 -5.547 -7.355 2.931 1.00 5.00 C ATOM 350 CZ PHE A 22 -6.571 -6.706 2.268 1.00 53.22 C ATOM 0 H PHE A 22 -1.688 -5.869 3.918 1.00 41.05 H new ATOM 0 HA PHE A 22 -2.917 -3.549 2.713 1.00 30.31 H new ATOM 0 HB2 PHE A 22 -3.301 -5.061 5.313 1.00 61.35 H new ATOM 0 HB3 PHE A 22 -4.183 -3.590 4.956 1.00 61.35 H new ATOM 0 HD1 PHE A 22 -5.814 -3.529 3.088 1.00 63.05 H new ATOM 0 HD2 PHE A 22 -3.822 -7.140 4.167 1.00 34.43 H new ATOM 0 HE1 PHE A 22 -7.466 -4.821 1.809 1.00 32.43 H new ATOM 0 HE2 PHE A 22 -5.472 -8.431 2.886 1.00 5.00 H new ATOM 0 HZ PHE A 22 -7.296 -7.275 1.705 1.00 53.22 H new ATOM 360 N ILE A 23 -1.616 -1.696 3.689 1.00 14.01 N ATOM 361 CA ILE A 23 -0.832 -0.572 4.208 1.00 31.13 C ATOM 362 C ILE A 23 -1.721 0.625 4.577 1.00 21.51 C ATOM 363 O ILE A 23 -2.591 1.028 3.801 1.00 63.11 O ATOM 364 CB ILE A 23 0.226 -0.113 3.170 1.00 3.22 C ATOM 365 CG1 ILE A 23 1.227 -1.246 2.882 1.00 1.42 C ATOM 366 CG2 ILE A 23 0.953 1.146 3.645 1.00 12.04 C ATOM 367 CD1 ILE A 23 2.298 -0.876 1.878 1.00 52.32 C ATOM 0 H ILE A 23 -2.035 -1.525 2.775 1.00 14.01 H new ATOM 0 HA ILE A 23 -0.334 -0.927 5.110 1.00 31.13 H new ATOM 0 HB ILE A 23 -0.293 0.131 2.243 1.00 3.22 H new ATOM 0 HG12 ILE A 23 1.705 -1.542 3.816 1.00 1.42 H new ATOM 0 HG13 ILE A 23 0.682 -2.115 2.514 1.00 1.42 H new ATOM 0 HG21 ILE A 23 1.689 1.445 2.898 1.00 12.04 H new ATOM 0 HG22 ILE A 23 0.232 1.951 3.787 1.00 12.04 H new ATOM 0 HG23 ILE A 23 1.458 0.940 4.589 1.00 12.04 H new ATOM 0 HD11 ILE A 23 2.965 -1.725 1.728 1.00 52.32 H new ATOM 0 HD12 ILE A 23 1.831 -0.609 0.930 1.00 52.32 H new ATOM 0 HD13 ILE A 23 2.870 -0.027 2.253 1.00 52.32 H new ATOM 379 N ASN A 24 -1.495 1.187 5.764 1.00 54.44 N ATOM 380 CA ASN A 24 -2.180 2.414 6.183 1.00 62.04 C ATOM 381 C ASN A 24 -1.286 3.641 5.958 1.00 72.12 C ATOM 382 O ASN A 24 -0.212 3.757 6.556 1.00 45.33 O ATOM 383 CB ASN A 24 -2.580 2.356 7.666 1.00 11.52 C ATOM 384 CG ASN A 24 -3.607 1.284 7.977 1.00 22.22 C ATOM 385 OD1 ASN A 24 -4.375 0.865 7.123 1.00 53.44 O ATOM 386 ND2 ASN A 24 -3.652 0.852 9.220 1.00 5.02 N ATOM 0 H ASN A 24 -0.843 0.814 6.454 1.00 54.44 H new ATOM 0 HA ASN A 24 -3.081 2.500 5.575 1.00 62.04 H new ATOM 0 HB2 ASN A 24 -1.688 2.178 8.267 1.00 11.52 H new ATOM 0 HB3 ASN A 24 -2.978 3.326 7.964 1.00 11.52 H new ATOM 0 HD21 ASN A 24 -4.340 0.150 9.491 1.00 5.02 H new ATOM 0 HD22 ASN A 24 -2.999 1.220 9.912 1.00 5.02 H new ATOM 393 N LEU A 25 -1.718 4.547 5.085 1.00 0.22 N ATOM 394 CA LEU A 25 -1.047 5.845 4.932 1.00 52.40 C ATOM 395 C LEU A 25 -1.463 6.775 6.077 1.00 50.24 C ATOM 396 O LEU A 25 -0.708 7.651 6.504 1.00 22.13 O ATOM 397 CB LEU A 25 -1.407 6.494 3.588 1.00 55.21 C ATOM 398 CG LEU A 25 -1.064 5.673 2.336 1.00 34.34 C ATOM 399 CD1 LEU A 25 -1.460 6.441 1.079 1.00 64.24 C ATOM 400 CD2 LEU A 25 0.422 5.311 2.305 1.00 35.11 C ATOM 0 H LEU A 25 -2.524 4.413 4.474 1.00 0.22 H new ATOM 0 HA LEU A 25 0.030 5.682 4.959 1.00 52.40 H new ATOM 0 HB2 LEU A 25 -2.477 6.702 3.581 1.00 55.21 H new ATOM 0 HB3 LEU A 25 -0.896 7.454 3.521 1.00 55.21 H new ATOM 0 HG LEU A 25 -1.631 4.743 2.370 1.00 34.34 H new ATOM 0 HD11 LEU A 25 -1.212 5.849 0.198 1.00 64.24 H new ATOM 0 HD12 LEU A 25 -2.532 6.637 1.095 1.00 64.24 H new ATOM 0 HD13 LEU A 25 -0.919 7.387 1.045 1.00 64.24 H new ATOM 0 HD21 LEU A 25 0.636 4.730 1.408 1.00 35.11 H new ATOM 0 HD22 LEU A 25 1.019 6.223 2.298 1.00 35.11 H new ATOM 0 HD23 LEU A 25 0.671 4.721 3.187 1.00 35.11 H new ATOM 412 N ASN A 26 -2.684 6.561 6.555 1.00 30.43 N ATOM 413 CA ASN A 26 -3.249 7.310 7.676 1.00 32.44 C ATOM 414 C ASN A 26 -4.223 6.408 8.447 1.00 62.44 C ATOM 415 O ASN A 26 -4.685 5.400 7.912 1.00 11.44 O ATOM 416 CB ASN A 26 -3.970 8.569 7.160 1.00 54.33 C ATOM 417 CG ASN A 26 -4.561 9.417 8.272 1.00 74.13 C ATOM 418 OD1 ASN A 26 -4.056 9.443 9.389 1.00 71.21 O ATOM 419 ND2 ASN A 26 -5.636 10.123 7.980 1.00 53.20 N ATOM 0 H ASN A 26 -3.316 5.857 6.173 1.00 30.43 H new ATOM 0 HA ASN A 26 -2.449 7.625 8.346 1.00 32.44 H new ATOM 0 HB2 ASN A 26 -3.267 9.173 6.586 1.00 54.33 H new ATOM 0 HB3 ASN A 26 -4.766 8.270 6.477 1.00 54.33 H new ATOM 0 HD21 ASN A 26 -6.069 10.711 8.692 1.00 53.20 H new ATOM 0 HD22 ASN A 26 -6.034 10.081 7.042 1.00 53.20 H new ATOM 426 N GLU A 27 -4.542 6.766 9.687 1.00 52.43 N ATOM 427 CA GLU A 27 -5.452 5.963 10.517 1.00 53.23 C ATOM 428 C GLU A 27 -6.785 5.677 9.793 1.00 24.22 C ATOM 429 O GLU A 27 -7.396 4.624 9.980 1.00 24.14 O ATOM 430 CB GLU A 27 -5.723 6.681 11.847 1.00 44.10 C ATOM 431 CG GLU A 27 -6.617 5.895 12.803 1.00 12.40 C ATOM 432 CD GLU A 27 -6.908 6.649 14.090 1.00 54.12 C ATOM 433 OE1 GLU A 27 -7.893 7.417 14.123 1.00 24.03 O ATOM 434 OE2 GLU A 27 -6.156 6.478 15.073 1.00 72.44 O ATOM 0 H GLU A 27 -4.187 7.606 10.145 1.00 52.43 H new ATOM 0 HA GLU A 27 -4.966 5.007 10.710 1.00 53.23 H new ATOM 0 HB2 GLU A 27 -4.772 6.885 12.339 1.00 44.10 H new ATOM 0 HB3 GLU A 27 -6.188 7.645 11.640 1.00 44.10 H new ATOM 0 HG2 GLU A 27 -7.557 5.660 12.304 1.00 12.40 H new ATOM 0 HG3 GLU A 27 -6.138 4.946 13.044 1.00 12.40 H new ATOM 441 N GLN A 28 -7.229 6.622 8.964 1.00 2.53 N ATOM 442 CA GLN A 28 -8.492 6.478 8.221 1.00 72.34 C ATOM 443 C GLN A 28 -8.247 6.321 6.706 1.00 73.14 C ATOM 444 O GLN A 28 -9.146 6.542 5.892 1.00 53.43 O ATOM 445 CB GLN A 28 -9.384 7.697 8.496 1.00 11.52 C ATOM 446 CG GLN A 28 -9.693 7.914 9.980 1.00 63.35 C ATOM 447 CD GLN A 28 -10.570 6.820 10.575 1.00 21.43 C ATOM 448 OE1 GLN A 28 -9.959 5.754 11.055 1.00 5.01 O flip ATOM 449 NE2 GLN A 28 -11.793 6.928 10.598 1.00 52.24 N flip ATOM 0 H GLN A 28 -6.736 7.497 8.787 1.00 2.53 H new ATOM 0 HA GLN A 28 -8.992 5.572 8.563 1.00 72.34 H new ATOM 0 HB2 GLN A 28 -8.897 8.589 8.102 1.00 11.52 H new ATOM 0 HB3 GLN A 28 -10.322 7.580 7.953 1.00 11.52 H new ATOM 0 HG2 GLN A 28 -8.757 7.963 10.536 1.00 63.35 H new ATOM 0 HG3 GLN A 28 -10.189 8.877 10.105 1.00 63.35 H new ATOM 0 HE21 GLN A 28 -12.238 7.764 10.220 1.00 52.24 H new ATOM 0 HE22 GLN A 28 -12.363 6.182 10.996 1.00 52.24 H new ATOM 458 N VAL A 29 -7.027 5.924 6.338 1.00 14.42 N ATOM 459 CA VAL A 29 -6.651 5.719 4.928 1.00 13.41 C ATOM 460 C VAL A 29 -5.883 4.396 4.749 1.00 12.53 C ATOM 461 O VAL A 29 -4.696 4.305 5.085 1.00 11.51 O ATOM 462 CB VAL A 29 -5.777 6.887 4.394 1.00 13.45 C ATOM 463 CG1 VAL A 29 -5.305 6.612 2.968 1.00 11.13 C ATOM 464 CG2 VAL A 29 -6.532 8.212 4.463 1.00 30.13 C ATOM 0 H VAL A 29 -6.274 5.735 6.999 1.00 14.42 H new ATOM 0 HA VAL A 29 -7.578 5.682 4.356 1.00 13.41 H new ATOM 0 HB VAL A 29 -4.898 6.962 5.034 1.00 13.45 H new ATOM 0 HG11 VAL A 29 -4.695 7.446 2.619 1.00 11.13 H new ATOM 0 HG12 VAL A 29 -4.713 5.697 2.951 1.00 11.13 H new ATOM 0 HG13 VAL A 29 -6.170 6.497 2.314 1.00 11.13 H new ATOM 0 HG21 VAL A 29 -5.897 9.013 4.083 1.00 30.13 H new ATOM 0 HG22 VAL A 29 -7.436 8.148 3.858 1.00 30.13 H new ATOM 0 HG23 VAL A 29 -6.802 8.423 5.498 1.00 30.13 H new ATOM 474 N ARG A 30 -6.560 3.378 4.215 1.00 24.12 N ATOM 475 CA ARG A 30 -5.965 2.043 4.055 1.00 75.41 C ATOM 476 C ARG A 30 -6.027 1.555 2.598 1.00 23.44 C ATOM 477 O ARG A 30 -6.979 1.841 1.874 1.00 13.11 O ATOM 478 CB ARG A 30 -6.695 1.051 4.968 1.00 10.11 C ATOM 479 CG ARG A 30 -6.123 -0.363 4.944 1.00 71.01 C ATOM 480 CD ARG A 30 -6.813 -1.260 5.966 1.00 21.34 C ATOM 481 NE ARG A 30 -6.788 -0.674 7.306 1.00 70.13 N ATOM 482 CZ ARG A 30 -7.298 -1.239 8.368 1.00 74.52 C ATOM 483 NH1 ARG A 30 -7.826 -2.420 8.305 1.00 23.41 N ATOM 484 NH2 ARG A 30 -7.277 -0.619 9.498 1.00 73.22 N ATOM 0 H ARG A 30 -7.522 3.449 3.884 1.00 24.12 H new ATOM 0 HA ARG A 30 -4.913 2.107 4.333 1.00 75.41 H new ATOM 0 HB2 ARG A 30 -6.663 1.426 5.991 1.00 10.11 H new ATOM 0 HB3 ARG A 30 -7.744 1.011 4.676 1.00 10.11 H new ATOM 0 HG2 ARG A 30 -6.240 -0.788 3.947 1.00 71.01 H new ATOM 0 HG3 ARG A 30 -5.054 -0.328 5.152 1.00 71.01 H new ATOM 0 HD2 ARG A 30 -7.846 -1.430 5.662 1.00 21.34 H new ATOM 0 HD3 ARG A 30 -6.323 -2.233 5.985 1.00 21.34 H new ATOM 0 HE ARG A 30 -6.343 0.237 7.419 1.00 70.13 H new ATOM 0 HH11 ARG A 30 -7.848 -2.922 7.418 1.00 23.41 H new ATOM 0 HH12 ARG A 30 -8.220 -2.848 9.143 1.00 23.41 H new ATOM 0 HH21 ARG A 30 -6.863 0.311 9.562 1.00 73.22 H new ATOM 0 HH22 ARG A 30 -7.675 -1.058 10.328 1.00 73.22 H new ATOM 498 N GLY A 31 -5.008 0.809 2.176 1.00 43.04 N ATOM 499 CA GLY A 31 -4.992 0.245 0.831 1.00 24.00 C ATOM 500 C GLY A 31 -4.257 -1.089 0.752 1.00 21.44 C ATOM 501 O GLY A 31 -3.840 -1.640 1.773 1.00 0.23 O ATOM 0 H GLY A 31 -4.190 0.583 2.742 1.00 43.04 H new ATOM 0 HA2 GLY A 31 -6.018 0.109 0.488 1.00 24.00 H new ATOM 0 HA3 GLY A 31 -4.520 0.954 0.151 1.00 24.00 H new ATOM 505 N LEU A 32 -4.088 -1.608 -0.465 1.00 61.31 N ATOM 506 CA LEU A 32 -3.433 -2.905 -0.675 1.00 52.53 C ATOM 507 C LEU A 32 -2.244 -2.786 -1.643 1.00 44.23 C ATOM 508 O LEU A 32 -2.392 -2.330 -2.779 1.00 42.53 O ATOM 509 CB LEU A 32 -4.449 -3.924 -1.216 1.00 4.10 C ATOM 510 CG LEU A 32 -3.900 -5.342 -1.459 1.00 14.41 C ATOM 511 CD1 LEU A 32 -3.413 -5.972 -0.157 1.00 71.25 C ATOM 512 CD2 LEU A 32 -4.954 -6.222 -2.126 1.00 61.54 C ATOM 0 H LEU A 32 -4.395 -1.151 -1.323 1.00 61.31 H new ATOM 0 HA LEU A 32 -3.050 -3.247 0.287 1.00 52.53 H new ATOM 0 HB2 LEU A 32 -5.280 -3.990 -0.514 1.00 4.10 H new ATOM 0 HB3 LEU A 32 -4.854 -3.544 -2.154 1.00 4.10 H new ATOM 0 HG LEU A 32 -3.046 -5.262 -2.132 1.00 14.41 H new ATOM 0 HD11 LEU A 32 -3.031 -6.973 -0.358 1.00 71.25 H new ATOM 0 HD12 LEU A 32 -2.619 -5.359 0.269 1.00 71.25 H new ATOM 0 HD13 LEU A 32 -4.241 -6.035 0.549 1.00 71.25 H new ATOM 0 HD21 LEU A 32 -4.545 -7.219 -2.289 1.00 61.54 H new ATOM 0 HD22 LEU A 32 -5.831 -6.290 -1.483 1.00 61.54 H new ATOM 0 HD23 LEU A 32 -5.239 -5.786 -3.084 1.00 61.54 H new ATOM 524 N LEU A 33 -1.067 -3.194 -1.178 1.00 33.14 N ATOM 525 CA LEU A 33 0.134 -3.232 -2.015 1.00 71.25 C ATOM 526 C LEU A 33 0.347 -4.642 -2.587 1.00 1.33 C ATOM 527 O LEU A 33 0.619 -5.589 -1.849 1.00 75.34 O ATOM 528 CB LEU A 33 1.357 -2.800 -1.192 1.00 45.11 C ATOM 529 CG LEU A 33 2.696 -2.771 -1.949 1.00 33.40 C ATOM 530 CD1 LEU A 33 2.626 -1.820 -3.144 1.00 11.23 C ATOM 531 CD2 LEU A 33 3.833 -2.376 -1.009 1.00 43.22 C ATOM 0 H LEU A 33 -0.916 -3.506 -0.219 1.00 33.14 H new ATOM 0 HA LEU A 33 0.004 -2.541 -2.848 1.00 71.25 H new ATOM 0 HB2 LEU A 33 1.167 -1.805 -0.789 1.00 45.11 H new ATOM 0 HB3 LEU A 33 1.456 -3.475 -0.342 1.00 45.11 H new ATOM 0 HG LEU A 33 2.896 -3.773 -2.328 1.00 33.40 H new ATOM 0 HD11 LEU A 33 3.584 -1.817 -3.663 1.00 11.23 H new ATOM 0 HD12 LEU A 33 1.844 -2.151 -3.827 1.00 11.23 H new ATOM 0 HD13 LEU A 33 2.399 -0.813 -2.795 1.00 11.23 H new ATOM 0 HD21 LEU A 33 4.773 -2.361 -1.561 1.00 43.22 H new ATOM 0 HD22 LEU A 33 3.638 -1.386 -0.598 1.00 43.22 H new ATOM 0 HD23 LEU A 33 3.901 -3.099 -0.197 1.00 43.22 H new ATOM 543 N ARG A 34 0.219 -4.776 -3.901 1.00 10.21 N ATOM 544 CA ARG A 34 0.319 -6.082 -4.565 1.00 72.41 C ATOM 545 C ARG A 34 1.757 -6.370 -5.038 1.00 21.10 C ATOM 546 O ARG A 34 2.481 -5.457 -5.433 1.00 31.11 O ATOM 547 CB ARG A 34 -0.642 -6.126 -5.758 1.00 30.43 C ATOM 548 CG ARG A 34 -2.108 -5.929 -5.383 1.00 21.43 C ATOM 549 CD ARG A 34 -2.963 -5.619 -6.608 1.00 12.13 C ATOM 550 NE ARG A 34 -2.520 -4.398 -7.281 1.00 41.22 N ATOM 551 CZ ARG A 34 -3.240 -3.316 -7.392 1.00 71.53 C ATOM 552 NH1 ARG A 34 -4.457 -3.291 -6.948 1.00 72.52 N ATOM 553 NH2 ARG A 34 -2.743 -2.266 -7.963 1.00 44.34 N ATOM 0 H ARG A 34 0.045 -3.997 -4.535 1.00 10.21 H new ATOM 0 HA ARG A 34 0.047 -6.851 -3.842 1.00 72.41 H new ATOM 0 HB2 ARG A 34 -0.354 -5.355 -6.472 1.00 30.43 H new ATOM 0 HB3 ARG A 34 -0.533 -7.085 -6.264 1.00 30.43 H new ATOM 0 HG2 ARG A 34 -2.483 -6.828 -4.894 1.00 21.43 H new ATOM 0 HG3 ARG A 34 -2.194 -5.115 -4.663 1.00 21.43 H new ATOM 0 HD2 ARG A 34 -2.918 -6.456 -7.305 1.00 12.13 H new ATOM 0 HD3 ARG A 34 -4.005 -5.511 -6.307 1.00 12.13 H new ATOM 0 HE ARG A 34 -1.586 -4.392 -7.691 1.00 41.22 H new ATOM 0 HH11 ARG A 34 -4.857 -4.120 -6.509 1.00 72.52 H new ATOM 0 HH12 ARG A 34 -5.015 -2.442 -7.038 1.00 72.52 H new ATOM 0 HH21 ARG A 34 -1.790 -2.286 -8.325 1.00 44.34 H new ATOM 0 HH22 ARG A 34 -3.305 -1.419 -8.051 1.00 44.34 H new ATOM 567 N PRO A 35 2.177 -7.654 -5.038 1.00 75.40 N ATOM 568 CA PRO A 35 3.552 -8.041 -5.419 1.00 32.40 C ATOM 569 C PRO A 35 3.898 -7.670 -6.870 1.00 44.21 C ATOM 570 O PRO A 35 5.042 -7.343 -7.187 1.00 21.12 O ATOM 571 CB PRO A 35 3.560 -9.569 -5.235 1.00 60.14 C ATOM 572 CG PRO A 35 2.123 -9.970 -5.292 1.00 10.33 C ATOM 573 CD PRO A 35 1.359 -8.829 -4.678 1.00 65.25 C ATOM 0 HA PRO A 35 4.296 -7.520 -4.816 1.00 32.40 H new ATOM 0 HB2 PRO A 35 4.138 -10.058 -6.019 1.00 60.14 H new ATOM 0 HB3 PRO A 35 4.011 -9.850 -4.283 1.00 60.14 H new ATOM 0 HG2 PRO A 35 1.806 -10.146 -6.320 1.00 10.33 H new ATOM 0 HG3 PRO A 35 1.953 -10.896 -4.743 1.00 10.33 H new ATOM 0 HD2 PRO A 35 0.348 -8.756 -5.080 1.00 65.25 H new ATOM 0 HD3 PRO A 35 1.265 -8.940 -3.598 1.00 65.25 H new ATOM 581 N ARG A 36 2.894 -7.706 -7.742 1.00 41.31 N ATOM 582 CA ARG A 36 3.086 -7.421 -9.168 1.00 24.44 C ATOM 583 C ARG A 36 3.272 -5.914 -9.426 1.00 63.53 C ATOM 584 O ARG A 36 3.750 -5.506 -10.486 1.00 31.10 O ATOM 585 CB ARG A 36 1.886 -7.963 -9.957 1.00 54.42 C ATOM 586 CG ARG A 36 1.591 -9.429 -9.654 1.00 54.22 C ATOM 587 CD ARG A 36 0.386 -9.958 -10.425 1.00 1.42 C ATOM 588 NE ARG A 36 0.099 -11.350 -10.073 1.00 44.53 N ATOM 589 CZ ARG A 36 -0.468 -12.215 -10.871 1.00 4.13 C ATOM 590 NH1 ARG A 36 -0.829 -11.880 -12.067 1.00 51.13 N ATOM 591 NH2 ARG A 36 -0.673 -13.427 -10.469 1.00 12.24 N ATOM 0 H ARG A 36 1.932 -7.931 -7.487 1.00 41.31 H new ATOM 0 HA ARG A 36 3.997 -7.917 -9.502 1.00 24.44 H new ATOM 0 HB2 ARG A 36 1.005 -7.365 -9.725 1.00 54.42 H new ATOM 0 HB3 ARG A 36 2.077 -7.849 -11.024 1.00 54.42 H new ATOM 0 HG2 ARG A 36 2.467 -10.030 -9.899 1.00 54.22 H new ATOM 0 HG3 ARG A 36 1.413 -9.546 -8.585 1.00 54.22 H new ATOM 0 HD2 ARG A 36 -0.486 -9.339 -10.211 1.00 1.42 H new ATOM 0 HD3 ARG A 36 0.575 -9.883 -11.496 1.00 1.42 H new ATOM 0 HE ARG A 36 0.360 -11.667 -9.139 1.00 44.53 H new ATOM 0 HH11 ARG A 36 -0.672 -10.929 -12.399 1.00 51.13 H new ATOM 0 HH12 ARG A 36 -1.271 -12.567 -12.678 1.00 51.13 H new ATOM 0 HH21 ARG A 36 -0.392 -13.707 -9.529 1.00 12.24 H new ATOM 0 HH22 ARG A 36 -1.116 -14.103 -11.092 1.00 12.24 H new ATOM 605 N ASP A 37 2.897 -5.099 -8.444 1.00 74.33 N ATOM 606 CA ASP A 37 3.052 -3.643 -8.525 1.00 42.12 C ATOM 607 C ASP A 37 4.359 -3.189 -7.844 1.00 31.13 C ATOM 608 O ASP A 37 4.633 -1.992 -7.715 1.00 55.41 O ATOM 609 CB ASP A 37 1.843 -2.963 -7.865 1.00 42.32 C ATOM 610 CG ASP A 37 0.522 -3.427 -8.459 1.00 55.44 C ATOM 611 OD1 ASP A 37 0.200 -4.627 -8.340 1.00 72.32 O ATOM 612 OD2 ASP A 37 -0.205 -2.603 -9.051 1.00 22.54 O ATOM 0 H ASP A 37 2.479 -5.424 -7.572 1.00 74.33 H new ATOM 0 HA ASP A 37 3.103 -3.353 -9.575 1.00 42.12 H new ATOM 0 HB2 ASP A 37 1.851 -3.172 -6.795 1.00 42.32 H new ATOM 0 HB3 ASP A 37 1.930 -1.882 -7.979 1.00 42.32 H new ATOM 617 N MET A 38 5.167 -4.160 -7.419 1.00 25.31 N ATOM 618 CA MET A 38 6.429 -3.886 -6.722 1.00 33.23 C ATOM 619 C MET A 38 7.630 -3.925 -7.683 1.00 42.12 C ATOM 620 O MET A 38 7.598 -4.606 -8.708 1.00 23.53 O ATOM 621 CB MET A 38 6.633 -4.908 -5.599 1.00 75.13 C ATOM 622 CG MET A 38 5.529 -4.892 -4.551 1.00 31.12 C ATOM 623 SD MET A 38 5.464 -3.340 -3.638 1.00 51.15 S ATOM 624 CE MET A 38 6.957 -3.451 -2.657 1.00 23.21 C ATOM 0 H MET A 38 4.970 -5.153 -7.546 1.00 25.31 H new ATOM 0 HA MET A 38 6.368 -2.882 -6.303 1.00 33.23 H new ATOM 0 HB2 MET A 38 6.695 -5.906 -6.034 1.00 75.13 H new ATOM 0 HB3 MET A 38 7.588 -4.713 -5.111 1.00 75.13 H new ATOM 0 HG2 MET A 38 4.569 -5.064 -5.037 1.00 31.12 H new ATOM 0 HG3 MET A 38 5.684 -5.714 -3.852 1.00 31.12 H new ATOM 0 HE1 MET A 38 6.973 -2.643 -1.926 1.00 23.21 H new ATOM 0 HE2 MET A 38 6.981 -4.409 -2.139 1.00 23.21 H new ATOM 0 HE3 MET A 38 7.827 -3.369 -3.308 1.00 23.21 H new ATOM 634 N ILE A 39 8.690 -3.189 -7.341 1.00 71.44 N ATOM 635 CA ILE A 39 9.916 -3.165 -8.154 1.00 34.51 C ATOM 636 C ILE A 39 11.061 -3.935 -7.467 1.00 42.43 C ATOM 637 O ILE A 39 11.406 -5.047 -7.867 1.00 12.41 O ATOM 638 CB ILE A 39 10.372 -1.709 -8.443 1.00 61.30 C ATOM 639 CG1 ILE A 39 9.239 -0.908 -9.113 1.00 24.01 C ATOM 640 CG2 ILE A 39 11.632 -1.695 -9.314 1.00 2.55 C ATOM 641 CD1 ILE A 39 8.774 -1.476 -10.441 1.00 3.31 C ATOM 0 H ILE A 39 8.728 -2.601 -6.508 1.00 71.44 H new ATOM 0 HA ILE A 39 9.680 -3.655 -9.098 1.00 34.51 H new ATOM 0 HB ILE A 39 10.612 -1.234 -7.492 1.00 61.30 H new ATOM 0 HG12 ILE A 39 8.389 -0.864 -8.432 1.00 24.01 H new ATOM 0 HG13 ILE A 39 9.577 0.117 -9.268 1.00 24.01 H new ATOM 0 HG21 ILE A 39 11.932 -0.664 -9.503 1.00 2.55 H new ATOM 0 HG22 ILE A 39 12.437 -2.219 -8.798 1.00 2.55 H new ATOM 0 HG23 ILE A 39 11.425 -2.192 -10.262 1.00 2.55 H new ATOM 0 HD11 ILE A 39 7.976 -0.853 -10.844 1.00 3.31 H new ATOM 0 HD12 ILE A 39 9.609 -1.494 -11.141 1.00 3.31 H new ATOM 0 HD13 ILE A 39 8.403 -2.490 -10.293 1.00 3.31 H new ATOM 653 N SER A 40 11.643 -3.341 -6.426 1.00 3.31 N ATOM 654 CA SER A 40 12.756 -3.966 -5.693 1.00 21.11 C ATOM 655 C SER A 40 12.255 -4.895 -4.579 1.00 44.03 C ATOM 656 O SER A 40 12.659 -6.055 -4.491 1.00 41.22 O ATOM 657 CB SER A 40 13.656 -2.887 -5.082 1.00 1.44 C ATOM 658 OG SER A 40 12.924 -2.075 -4.180 1.00 61.25 O ATOM 0 H SER A 40 11.366 -2.427 -6.067 1.00 3.31 H new ATOM 0 HA SER A 40 13.321 -4.563 -6.408 1.00 21.11 H new ATOM 0 HB2 SER A 40 14.491 -3.355 -4.561 1.00 1.44 H new ATOM 0 HB3 SER A 40 14.080 -2.269 -5.874 1.00 1.44 H new ATOM 0 HG SER A 40 12.369 -1.444 -4.684 1.00 61.25 H new ATOM 664 N LEU A 41 11.369 -4.374 -3.733 1.00 71.42 N ATOM 665 CA LEU A 41 10.859 -5.123 -2.578 1.00 74.33 C ATOM 666 C LEU A 41 9.760 -6.123 -2.972 1.00 12.32 C ATOM 667 O LEU A 41 8.781 -5.765 -3.618 1.00 62.53 O ATOM 668 CB LEU A 41 10.308 -4.148 -1.524 1.00 22.31 C ATOM 669 CG LEU A 41 11.352 -3.252 -0.838 1.00 55.25 C ATOM 670 CD1 LEU A 41 10.683 -2.307 0.159 1.00 23.21 C ATOM 671 CD2 LEU A 41 12.412 -4.101 -0.142 1.00 32.24 C ATOM 0 H LEU A 41 10.986 -3.433 -3.823 1.00 71.42 H new ATOM 0 HA LEU A 41 11.694 -5.691 -2.167 1.00 74.33 H new ATOM 0 HB2 LEU A 41 9.564 -3.509 -2.000 1.00 22.31 H new ATOM 0 HB3 LEU A 41 9.790 -4.724 -0.757 1.00 22.31 H new ATOM 0 HG LEU A 41 11.840 -2.650 -1.604 1.00 55.25 H new ATOM 0 HD11 LEU A 41 11.440 -1.682 0.633 1.00 23.21 H new ATOM 0 HD12 LEU A 41 9.966 -1.674 -0.364 1.00 23.21 H new ATOM 0 HD13 LEU A 41 10.165 -2.889 0.921 1.00 23.21 H new ATOM 0 HD21 LEU A 41 13.142 -3.450 0.338 1.00 32.24 H new ATOM 0 HD22 LEU A 41 11.937 -4.731 0.611 1.00 32.24 H new ATOM 0 HD23 LEU A 41 12.914 -4.730 -0.877 1.00 32.24 H new ATOM 683 N ARG A 42 9.941 -7.383 -2.581 1.00 4.11 N ATOM 684 CA ARG A 42 8.910 -8.418 -2.748 1.00 35.42 C ATOM 685 C ARG A 42 8.208 -8.691 -1.409 1.00 2.31 C ATOM 686 O ARG A 42 8.755 -8.386 -0.349 1.00 31.22 O ATOM 687 CB ARG A 42 9.547 -9.715 -3.271 1.00 51.41 C ATOM 688 CG ARG A 42 10.241 -9.572 -4.622 1.00 63.44 C ATOM 689 CD ARG A 42 9.257 -9.279 -5.749 1.00 70.23 C ATOM 690 NE ARG A 42 9.927 -9.191 -7.045 1.00 53.51 N ATOM 691 CZ ARG A 42 9.525 -9.803 -8.125 1.00 42.11 C ATOM 692 NH1 ARG A 42 8.469 -10.550 -8.112 1.00 32.11 N ATOM 693 NH2 ARG A 42 10.187 -9.667 -9.224 1.00 20.45 N ATOM 0 H ARG A 42 10.798 -7.719 -2.142 1.00 4.11 H new ATOM 0 HA ARG A 42 8.174 -8.063 -3.469 1.00 35.42 H new ATOM 0 HB2 ARG A 42 10.272 -10.071 -2.539 1.00 51.41 H new ATOM 0 HB3 ARG A 42 8.774 -10.479 -3.352 1.00 51.41 H new ATOM 0 HG2 ARG A 42 10.977 -8.770 -4.567 1.00 63.44 H new ATOM 0 HG3 ARG A 42 10.786 -10.489 -4.847 1.00 63.44 H new ATOM 0 HD2 ARG A 42 8.500 -10.063 -5.784 1.00 70.23 H new ATOM 0 HD3 ARG A 42 8.738 -8.343 -5.544 1.00 70.23 H new ATOM 0 HE ARG A 42 10.765 -8.613 -7.109 1.00 53.51 H new ATOM 0 HH11 ARG A 42 7.938 -10.667 -7.249 1.00 32.11 H new ATOM 0 HH12 ARG A 42 8.168 -11.022 -8.965 1.00 32.11 H new ATOM 0 HH21 ARG A 42 11.022 -9.082 -9.247 1.00 20.45 H new ATOM 0 HH22 ARG A 42 9.875 -10.144 -10.070 1.00 20.45 H new ATOM 707 N LEU A 43 7.008 -9.281 -1.455 1.00 5.52 N ATOM 708 CA LEU A 43 6.266 -9.623 -0.224 1.00 53.34 C ATOM 709 C LEU A 43 7.127 -10.463 0.737 1.00 42.23 C ATOM 710 O LEU A 43 7.003 -10.360 1.957 1.00 73.02 O ATOM 711 CB LEU A 43 4.981 -10.398 -0.558 1.00 53.33 C ATOM 712 CG LEU A 43 3.942 -9.654 -1.416 1.00 74.23 C ATOM 713 CD1 LEU A 43 2.700 -10.521 -1.620 1.00 43.13 C ATOM 714 CD2 LEU A 43 3.567 -8.315 -0.782 1.00 32.04 C ATOM 0 H LEU A 43 6.529 -9.532 -2.320 1.00 5.52 H new ATOM 0 HA LEU A 43 6.007 -8.684 0.265 1.00 53.34 H new ATOM 0 HB2 LEU A 43 5.259 -11.316 -1.076 1.00 53.33 H new ATOM 0 HB3 LEU A 43 4.505 -10.692 0.378 1.00 53.33 H new ATOM 0 HG LEU A 43 4.387 -9.451 -2.390 1.00 74.23 H new ATOM 0 HD11 LEU A 43 1.975 -9.981 -2.229 1.00 43.13 H new ATOM 0 HD12 LEU A 43 2.980 -11.445 -2.125 1.00 43.13 H new ATOM 0 HD13 LEU A 43 2.258 -10.756 -0.652 1.00 43.13 H new ATOM 0 HD21 LEU A 43 2.832 -7.809 -1.408 1.00 32.04 H new ATOM 0 HD22 LEU A 43 3.144 -8.487 0.208 1.00 32.04 H new ATOM 0 HD23 LEU A 43 4.457 -7.692 -0.693 1.00 32.04 H new ATOM 726 N GLU A 44 8.009 -11.275 0.162 1.00 22.24 N ATOM 727 CA GLU A 44 8.897 -12.158 0.929 1.00 62.02 C ATOM 728 C GLU A 44 9.813 -11.373 1.886 1.00 62.55 C ATOM 729 O GLU A 44 10.289 -11.913 2.885 1.00 72.41 O ATOM 730 CB GLU A 44 9.748 -12.991 -0.042 1.00 54.30 C ATOM 731 CG GLU A 44 8.929 -13.684 -1.128 1.00 61.14 C ATOM 732 CD GLU A 44 9.784 -14.505 -2.079 1.00 65.44 C ATOM 733 OE1 GLU A 44 10.363 -13.922 -3.020 1.00 71.24 O ATOM 734 OE2 GLU A 44 9.890 -15.738 -1.888 1.00 21.24 O ATOM 0 H GLU A 44 8.132 -11.343 -0.848 1.00 22.24 H new ATOM 0 HA GLU A 44 8.273 -12.810 1.540 1.00 62.02 H new ATOM 0 HB2 GLU A 44 10.487 -12.343 -0.513 1.00 54.30 H new ATOM 0 HB3 GLU A 44 10.298 -13.743 0.523 1.00 54.30 H new ATOM 0 HG2 GLU A 44 8.189 -14.333 -0.660 1.00 61.14 H new ATOM 0 HG3 GLU A 44 8.380 -12.934 -1.697 1.00 61.14 H new ATOM 741 N ASN A 45 10.056 -10.100 1.574 1.00 22.12 N ATOM 742 CA ASN A 45 10.953 -9.259 2.378 1.00 22.15 C ATOM 743 C ASN A 45 10.180 -8.240 3.231 1.00 4.41 C ATOM 744 O ASN A 45 10.781 -7.448 3.959 1.00 22.05 O ATOM 745 CB ASN A 45 11.938 -8.523 1.461 1.00 60.43 C ATOM 746 CG ASN A 45 12.664 -9.468 0.521 1.00 32.12 C ATOM 747 OD1 ASN A 45 12.881 -10.631 0.840 1.00 23.14 O ATOM 748 ND2 ASN A 45 13.068 -8.974 -0.630 1.00 73.13 N ATOM 0 H ASN A 45 9.645 -9.625 0.770 1.00 22.12 H new ATOM 0 HA ASN A 45 11.496 -9.916 3.058 1.00 22.15 H new ATOM 0 HB2 ASN A 45 11.400 -7.776 0.878 1.00 60.43 H new ATOM 0 HB3 ASN A 45 12.667 -7.988 2.069 1.00 60.43 H new ATOM 0 HD21 ASN A 45 13.578 -9.564 -1.287 1.00 73.13 H new ATOM 0 HD22 ASN A 45 12.871 -8.001 -0.865 1.00 73.13 H new ATOM 755 N LEU A 46 8.853 -8.259 3.144 1.00 5.31 N ATOM 756 CA LEU A 46 8.018 -7.296 3.876 1.00 14.15 C ATOM 757 C LEU A 46 7.520 -7.889 5.203 1.00 51.21 C ATOM 758 O LEU A 46 7.132 -9.059 5.268 1.00 31.12 O ATOM 759 CB LEU A 46 6.826 -6.853 3.012 1.00 1.43 C ATOM 760 CG LEU A 46 7.184 -6.341 1.604 1.00 43.23 C ATOM 761 CD1 LEU A 46 5.950 -5.779 0.899 1.00 32.35 C ATOM 762 CD2 LEU A 46 8.304 -5.300 1.664 1.00 70.22 C ATOM 0 H LEU A 46 8.329 -8.926 2.577 1.00 5.31 H new ATOM 0 HA LEU A 46 8.633 -6.425 4.103 1.00 14.15 H new ATOM 0 HB2 LEU A 46 6.140 -7.694 2.911 1.00 1.43 H new ATOM 0 HB3 LEU A 46 6.289 -6.066 3.541 1.00 1.43 H new ATOM 0 HG LEU A 46 7.548 -7.188 1.022 1.00 43.23 H new ATOM 0 HD11 LEU A 46 6.228 -5.424 -0.093 1.00 32.35 H new ATOM 0 HD12 LEU A 46 5.196 -6.561 0.806 1.00 32.35 H new ATOM 0 HD13 LEU A 46 5.544 -4.951 1.480 1.00 32.35 H new ATOM 0 HD21 LEU A 46 8.536 -4.956 0.656 1.00 70.22 H new ATOM 0 HD22 LEU A 46 7.982 -4.454 2.271 1.00 70.22 H new ATOM 0 HD23 LEU A 46 9.193 -5.747 2.108 1.00 70.22 H new ATOM 774 N ASN A 47 7.533 -7.078 6.262 1.00 73.22 N ATOM 775 CA ASN A 47 7.124 -7.535 7.597 1.00 62.54 C ATOM 776 C ASN A 47 6.059 -6.609 8.204 1.00 2.44 C ATOM 777 O ASN A 47 5.870 -5.474 7.753 1.00 53.33 O ATOM 778 CB ASN A 47 8.341 -7.597 8.527 1.00 65.52 C ATOM 779 CG ASN A 47 9.502 -8.346 7.903 1.00 13.32 C ATOM 780 OD1 ASN A 47 9.623 -9.557 8.032 1.00 61.21 O ATOM 781 ND2 ASN A 47 10.374 -7.624 7.230 1.00 32.10 N ATOM 0 H ASN A 47 7.822 -6.101 6.224 1.00 73.22 H new ATOM 0 HA ASN A 47 6.692 -8.530 7.491 1.00 62.54 H new ATOM 0 HB2 ASN A 47 8.657 -6.584 8.777 1.00 65.52 H new ATOM 0 HB3 ASN A 47 8.058 -8.082 9.461 1.00 65.52 H new ATOM 0 HD21 ASN A 47 11.181 -8.072 6.797 1.00 32.10 H new ATOM 0 HD22 ASN A 47 10.242 -6.616 7.142 1.00 32.10 H new ATOM 788 N VAL A 48 5.373 -7.092 9.234 1.00 12.22 N ATOM 789 CA VAL A 48 4.349 -6.303 9.923 1.00 61.23 C ATOM 790 C VAL A 48 4.980 -5.140 10.707 1.00 31.11 C ATOM 791 O VAL A 48 5.698 -5.353 11.689 1.00 34.44 O ATOM 792 CB VAL A 48 3.523 -7.190 10.894 1.00 74.45 C ATOM 793 CG1 VAL A 48 2.468 -6.365 11.631 1.00 32.34 C ATOM 794 CG2 VAL A 48 2.875 -8.356 10.144 1.00 3.31 C ATOM 0 H VAL A 48 5.506 -8.029 9.614 1.00 12.22 H new ATOM 0 HA VAL A 48 3.686 -5.897 9.159 1.00 61.23 H new ATOM 0 HB VAL A 48 4.206 -7.600 11.638 1.00 74.45 H new ATOM 0 HG11 VAL A 48 1.905 -7.012 12.304 1.00 32.34 H new ATOM 0 HG12 VAL A 48 2.957 -5.580 12.207 1.00 32.34 H new ATOM 0 HG13 VAL A 48 1.788 -5.914 10.908 1.00 32.34 H new ATOM 0 HG21 VAL A 48 2.301 -8.964 10.843 1.00 3.31 H new ATOM 0 HG22 VAL A 48 2.211 -7.968 9.371 1.00 3.31 H new ATOM 0 HG23 VAL A 48 3.650 -8.968 9.682 1.00 3.31 H new ATOM 804 N GLY A 49 4.703 -3.912 10.275 1.00 51.24 N ATOM 805 CA GLY A 49 5.254 -2.732 10.941 1.00 20.12 C ATOM 806 C GLY A 49 6.201 -1.912 10.063 1.00 25.03 C ATOM 807 O GLY A 49 6.529 -0.774 10.403 1.00 51.15 O ATOM 0 H GLY A 49 4.106 -3.708 9.474 1.00 51.24 H new ATOM 0 HA2 GLY A 49 4.433 -2.094 11.267 1.00 20.12 H new ATOM 0 HA3 GLY A 49 5.787 -3.048 11.837 1.00 20.12 H new ATOM 811 N ASP A 50 6.645 -2.475 8.936 1.00 73.31 N ATOM 812 CA ASP A 50 7.544 -1.751 8.022 1.00 62.35 C ATOM 813 C ASP A 50 6.867 -0.509 7.409 1.00 70.53 C ATOM 814 O ASP A 50 5.802 -0.609 6.794 1.00 21.01 O ATOM 815 CB ASP A 50 8.037 -2.672 6.893 1.00 2.24 C ATOM 816 CG ASP A 50 9.173 -3.588 7.318 1.00 52.04 C ATOM 817 OD1 ASP A 50 10.183 -3.077 7.847 1.00 74.40 O ATOM 818 OD2 ASP A 50 9.090 -4.810 7.075 1.00 54.43 O ATOM 0 H ASP A 50 6.402 -3.418 8.634 1.00 73.31 H new ATOM 0 HA ASP A 50 8.394 -1.419 8.618 1.00 62.35 H new ATOM 0 HB2 ASP A 50 7.204 -3.278 6.538 1.00 2.24 H new ATOM 0 HB3 ASP A 50 8.367 -2.061 6.053 1.00 2.24 H new ATOM 823 N GLU A 51 7.486 0.661 7.590 1.00 44.34 N ATOM 824 CA GLU A 51 7.033 1.889 6.926 1.00 22.31 C ATOM 825 C GLU A 51 7.706 2.038 5.554 1.00 2.31 C ATOM 826 O GLU A 51 8.902 2.333 5.455 1.00 64.52 O ATOM 827 CB GLU A 51 7.324 3.122 7.795 1.00 31.43 C ATOM 828 CG GLU A 51 6.458 3.217 9.048 1.00 13.44 C ATOM 829 CD GLU A 51 6.764 4.449 9.888 1.00 22.01 C ATOM 830 OE1 GLU A 51 6.662 5.578 9.364 1.00 72.43 O ATOM 831 OE2 GLU A 51 7.130 4.297 11.074 1.00 42.55 O ATOM 0 H GLU A 51 8.302 0.785 8.190 1.00 44.34 H new ATOM 0 HA GLU A 51 5.955 1.817 6.783 1.00 22.31 H new ATOM 0 HB2 GLU A 51 8.373 3.106 8.091 1.00 31.43 H new ATOM 0 HB3 GLU A 51 7.176 4.020 7.195 1.00 31.43 H new ATOM 0 HG2 GLU A 51 5.408 3.234 8.757 1.00 13.44 H new ATOM 0 HG3 GLU A 51 6.607 2.324 9.655 1.00 13.44 H new ATOM 838 N ILE A 52 6.930 1.821 4.499 1.00 5.22 N ATOM 839 CA ILE A 52 7.449 1.852 3.127 1.00 10.51 C ATOM 840 C ILE A 52 6.922 3.067 2.344 1.00 61.14 C ATOM 841 O ILE A 52 5.761 3.459 2.489 1.00 41.14 O ATOM 842 CB ILE A 52 7.072 0.554 2.366 1.00 61.03 C ATOM 843 CG1 ILE A 52 7.553 -0.681 3.150 1.00 72.45 C ATOM 844 CG2 ILE A 52 7.661 0.557 0.954 1.00 74.04 C ATOM 845 CD1 ILE A 52 7.165 -2.001 2.514 1.00 22.03 C ATOM 0 H ILE A 52 5.932 1.620 4.563 1.00 5.22 H new ATOM 0 HA ILE A 52 8.534 1.931 3.201 1.00 10.51 H new ATOM 0 HB ILE A 52 5.986 0.512 2.277 1.00 61.03 H new ATOM 0 HG12 ILE A 52 8.638 -0.639 3.244 1.00 72.45 H new ATOM 0 HG13 ILE A 52 7.143 -0.641 4.159 1.00 72.45 H new ATOM 0 HG21 ILE A 52 7.382 -0.364 0.442 1.00 74.04 H new ATOM 0 HG22 ILE A 52 7.274 1.412 0.400 1.00 74.04 H new ATOM 0 HG23 ILE A 52 8.747 0.625 1.013 1.00 74.04 H new ATOM 0 HD11 ILE A 52 7.539 -2.823 3.124 1.00 22.03 H new ATOM 0 HD12 ILE A 52 6.079 -2.066 2.444 1.00 22.03 H new ATOM 0 HD13 ILE A 52 7.597 -2.065 1.515 1.00 22.03 H new ATOM 857 N ILE A 53 7.784 3.664 1.524 1.00 21.14 N ATOM 858 CA ILE A 53 7.389 4.782 0.662 1.00 32.43 C ATOM 859 C ILE A 53 6.754 4.265 -0.641 1.00 63.41 C ATOM 860 O ILE A 53 7.439 3.708 -1.501 1.00 64.32 O ATOM 861 CB ILE A 53 8.601 5.690 0.324 1.00 53.35 C ATOM 862 CG1 ILE A 53 9.255 6.221 1.614 1.00 11.21 C ATOM 863 CG2 ILE A 53 8.172 6.848 -0.582 1.00 13.40 C ATOM 864 CD1 ILE A 53 10.467 7.101 1.373 1.00 63.31 C ATOM 0 H ILE A 53 8.764 3.393 1.436 1.00 21.14 H new ATOM 0 HA ILE A 53 6.655 5.373 1.210 1.00 32.43 H new ATOM 0 HB ILE A 53 9.338 5.093 -0.213 1.00 53.35 H new ATOM 0 HG12 ILE A 53 8.514 6.787 2.179 1.00 11.21 H new ATOM 0 HG13 ILE A 53 9.550 5.375 2.234 1.00 11.21 H new ATOM 0 HG21 ILE A 53 9.036 7.473 -0.807 1.00 13.40 H new ATOM 0 HG22 ILE A 53 7.760 6.451 -1.509 1.00 13.40 H new ATOM 0 HG23 ILE A 53 7.415 7.446 -0.075 1.00 13.40 H new ATOM 0 HD11 ILE A 53 10.870 7.435 2.329 1.00 63.31 H new ATOM 0 HD12 ILE A 53 11.228 6.534 0.837 1.00 63.31 H new ATOM 0 HD13 ILE A 53 10.175 7.968 0.780 1.00 63.31 H new ATOM 876 N VAL A 54 5.444 4.446 -0.778 1.00 70.52 N ATOM 877 CA VAL A 54 4.711 3.940 -1.944 1.00 11.44 C ATOM 878 C VAL A 54 3.888 5.042 -2.624 1.00 30.30 C ATOM 879 O VAL A 54 3.752 6.155 -2.110 1.00 52.52 O ATOM 880 CB VAL A 54 3.764 2.768 -1.559 1.00 32.31 C ATOM 881 CG1 VAL A 54 4.560 1.562 -1.061 1.00 73.24 C ATOM 882 CG2 VAL A 54 2.745 3.219 -0.510 1.00 33.03 C ATOM 0 H VAL A 54 4.864 4.939 -0.099 1.00 70.52 H new ATOM 0 HA VAL A 54 5.465 3.579 -2.643 1.00 11.44 H new ATOM 0 HB VAL A 54 3.221 2.464 -2.454 1.00 32.31 H new ATOM 0 HG11 VAL A 54 3.874 0.757 -0.798 1.00 73.24 H new ATOM 0 HG12 VAL A 54 5.235 1.222 -1.846 1.00 73.24 H new ATOM 0 HG13 VAL A 54 5.139 1.846 -0.182 1.00 73.24 H new ATOM 0 HG21 VAL A 54 2.092 2.384 -0.255 1.00 33.03 H new ATOM 0 HG22 VAL A 54 3.269 3.557 0.384 1.00 33.03 H new ATOM 0 HG23 VAL A 54 2.147 4.037 -0.912 1.00 33.03 H new ATOM 892 N GLN A 55 3.349 4.726 -3.793 1.00 62.25 N ATOM 893 CA GLN A 55 2.488 5.656 -4.521 1.00 51.21 C ATOM 894 C GLN A 55 1.078 5.084 -4.684 1.00 65.15 C ATOM 895 O GLN A 55 0.902 3.951 -5.141 1.00 71.32 O ATOM 896 CB GLN A 55 3.086 5.962 -5.898 1.00 63.50 C ATOM 897 CG GLN A 55 2.251 6.932 -6.731 1.00 62.42 C ATOM 898 CD GLN A 55 2.847 7.185 -8.103 1.00 4.44 C ATOM 899 OE1 GLN A 55 3.506 6.325 -8.672 1.00 64.34 O ATOM 900 NE2 GLN A 55 2.607 8.359 -8.654 1.00 21.23 N ATOM 0 H GLN A 55 3.491 3.831 -4.261 1.00 62.25 H new ATOM 0 HA GLN A 55 2.422 6.578 -3.944 1.00 51.21 H new ATOM 0 HB2 GLN A 55 4.085 6.378 -5.766 1.00 63.50 H new ATOM 0 HB3 GLN A 55 3.200 5.029 -6.450 1.00 63.50 H new ATOM 0 HG2 GLN A 55 1.243 6.533 -6.845 1.00 62.42 H new ATOM 0 HG3 GLN A 55 2.161 7.878 -6.198 1.00 62.42 H new ATOM 0 HE21 GLN A 55 2.054 9.054 -8.153 1.00 21.23 H new ATOM 0 HE22 GLN A 55 2.975 8.572 -9.581 1.00 21.23 H new ATOM 909 N ALA A 56 0.077 5.870 -4.305 1.00 51.55 N ATOM 910 CA ALA A 56 -1.319 5.472 -4.470 1.00 3.20 C ATOM 911 C ALA A 56 -1.731 5.539 -5.942 1.00 10.45 C ATOM 912 O ALA A 56 -1.913 6.621 -6.486 1.00 34.14 O ATOM 913 CB ALA A 56 -2.228 6.364 -3.628 1.00 61.52 C ATOM 0 H ALA A 56 0.205 6.789 -3.880 1.00 51.55 H new ATOM 0 HA ALA A 56 -1.423 4.442 -4.129 1.00 3.20 H new ATOM 0 HB1 ALA A 56 -3.265 6.056 -3.761 1.00 61.52 H new ATOM 0 HB2 ALA A 56 -1.954 6.273 -2.577 1.00 61.52 H new ATOM 0 HB3 ALA A 56 -2.114 7.401 -3.944 1.00 61.52 H new ATOM 919 N ILE A 57 -1.849 4.384 -6.588 1.00 73.05 N ATOM 920 CA ILE A 57 -2.269 4.323 -7.991 1.00 73.41 C ATOM 921 C ILE A 57 -3.670 4.931 -8.167 1.00 51.24 C ATOM 922 O ILE A 57 -3.827 6.018 -8.726 1.00 45.42 O ATOM 923 CB ILE A 57 -2.294 2.864 -8.520 1.00 52.33 C ATOM 924 CG1 ILE A 57 -0.964 2.149 -8.234 1.00 40.32 C ATOM 925 CG2 ILE A 57 -2.599 2.842 -10.018 1.00 15.22 C ATOM 926 CD1 ILE A 57 -0.954 0.692 -8.662 1.00 44.23 C ATOM 0 H ILE A 57 -1.661 3.475 -6.166 1.00 73.05 H new ATOM 0 HA ILE A 57 -1.539 4.896 -8.563 1.00 73.41 H new ATOM 0 HB ILE A 57 -3.085 2.330 -7.994 1.00 52.33 H new ATOM 0 HG12 ILE A 57 -0.160 2.676 -8.748 1.00 40.32 H new ATOM 0 HG13 ILE A 57 -0.752 2.207 -7.166 1.00 40.32 H new ATOM 0 HG21 ILE A 57 -2.612 1.811 -10.371 1.00 15.22 H new ATOM 0 HG22 ILE A 57 -3.572 3.300 -10.198 1.00 15.22 H new ATOM 0 HG23 ILE A 57 -1.831 3.399 -10.554 1.00 15.22 H new ATOM 0 HD11 ILE A 57 0.015 0.251 -8.430 1.00 44.23 H new ATOM 0 HD12 ILE A 57 -1.736 0.151 -8.129 1.00 44.23 H new ATOM 0 HD13 ILE A 57 -1.135 0.627 -9.735 1.00 44.23 H new ATOM 938 N ASP A 58 -4.681 4.220 -7.665 1.00 41.31 N ATOM 939 CA ASP A 58 -6.073 4.670 -7.747 1.00 33.14 C ATOM 940 C ASP A 58 -6.784 4.507 -6.395 1.00 23.24 C ATOM 941 O ASP A 58 -6.501 3.576 -5.637 1.00 31.00 O ATOM 942 CB ASP A 58 -6.832 3.882 -8.828 1.00 70.04 C ATOM 943 CG ASP A 58 -6.236 4.063 -10.214 1.00 63.45 C ATOM 944 OD1 ASP A 58 -6.207 5.212 -10.706 1.00 74.55 O ATOM 945 OD2 ASP A 58 -5.807 3.061 -10.826 1.00 52.32 O ATOM 0 H ASP A 58 -4.561 3.323 -7.194 1.00 41.31 H new ATOM 0 HA ASP A 58 -6.066 5.727 -8.013 1.00 33.14 H new ATOM 0 HB2 ASP A 58 -6.827 2.823 -8.570 1.00 70.04 H new ATOM 0 HB3 ASP A 58 -7.874 4.202 -8.841 1.00 70.04 H new ATOM 950 N VAL A 59 -7.695 5.425 -6.091 1.00 45.14 N ATOM 951 CA VAL A 59 -8.503 5.346 -4.869 1.00 62.53 C ATOM 952 C VAL A 59 -9.958 5.018 -5.216 1.00 53.30 C ATOM 953 O VAL A 59 -10.596 5.743 -5.978 1.00 24.54 O ATOM 954 CB VAL A 59 -8.458 6.673 -4.068 1.00 2.05 C ATOM 955 CG1 VAL A 59 -9.322 6.581 -2.809 1.00 61.02 C ATOM 956 CG2 VAL A 59 -7.019 7.044 -3.711 1.00 72.01 C ATOM 0 H VAL A 59 -7.896 6.238 -6.674 1.00 45.14 H new ATOM 0 HA VAL A 59 -8.081 4.554 -4.250 1.00 62.53 H new ATOM 0 HB VAL A 59 -8.865 7.462 -4.701 1.00 2.05 H new ATOM 0 HG11 VAL A 59 -9.274 7.524 -2.265 1.00 61.02 H new ATOM 0 HG12 VAL A 59 -10.355 6.377 -3.091 1.00 61.02 H new ATOM 0 HG13 VAL A 59 -8.954 5.776 -2.173 1.00 61.02 H new ATOM 0 HG21 VAL A 59 -7.013 7.978 -3.149 1.00 72.01 H new ATOM 0 HG22 VAL A 59 -6.579 6.253 -3.104 1.00 72.01 H new ATOM 0 HG23 VAL A 59 -6.437 7.166 -4.625 1.00 72.01 H new ATOM 966 N ARG A 60 -10.478 3.925 -4.660 1.00 65.41 N ATOM 967 CA ARG A 60 -11.838 3.468 -4.976 1.00 53.11 C ATOM 968 C ARG A 60 -12.836 3.869 -3.870 1.00 1.22 C ATOM 969 O ARG A 60 -12.946 3.175 -2.858 1.00 50.51 O ATOM 970 CB ARG A 60 -11.849 1.941 -5.129 1.00 72.03 C ATOM 971 CG ARG A 60 -10.752 1.393 -6.037 1.00 10.02 C ATOM 972 CD ARG A 60 -10.785 -0.130 -6.092 1.00 40.02 C ATOM 973 NE ARG A 60 -9.584 -0.691 -6.705 1.00 71.34 N ATOM 974 CZ ARG A 60 -9.579 -1.733 -7.484 1.00 73.14 C ATOM 975 NH1 ARG A 60 -10.690 -2.294 -7.851 1.00 73.24 N ATOM 976 NH2 ARG A 60 -8.454 -2.205 -7.907 1.00 2.24 N ATOM 0 H ARG A 60 -9.982 3.338 -3.989 1.00 65.41 H new ATOM 0 HA ARG A 60 -12.142 3.943 -5.909 1.00 53.11 H new ATOM 0 HB2 ARG A 60 -11.748 1.488 -4.143 1.00 72.03 H new ATOM 0 HB3 ARG A 60 -12.818 1.634 -5.523 1.00 72.03 H new ATOM 0 HG2 ARG A 60 -10.873 1.798 -7.042 1.00 10.02 H new ATOM 0 HG3 ARG A 60 -9.779 1.725 -5.675 1.00 10.02 H new ATOM 0 HD2 ARG A 60 -10.892 -0.525 -5.082 1.00 40.02 H new ATOM 0 HD3 ARG A 60 -11.661 -0.452 -6.655 1.00 40.02 H new ATOM 0 HE ARG A 60 -8.692 -0.237 -6.510 1.00 71.34 H new ATOM 0 HH11 ARG A 60 -11.582 -1.918 -7.528 1.00 73.24 H new ATOM 0 HH12 ARG A 60 -10.672 -3.110 -8.462 1.00 73.24 H new ATOM 0 HH21 ARG A 60 -7.578 -1.761 -7.630 1.00 2.24 H new ATOM 0 HH22 ARG A 60 -8.441 -3.022 -8.518 1.00 2.24 H new ATOM 990 N PRO A 61 -13.592 4.974 -4.044 1.00 53.04 N ATOM 991 CA PRO A 61 -14.584 5.420 -3.042 1.00 12.03 C ATOM 992 C PRO A 61 -15.674 4.363 -2.801 1.00 15.23 C ATOM 993 O PRO A 61 -16.187 4.214 -1.691 1.00 50.23 O ATOM 994 CB PRO A 61 -15.190 6.687 -3.669 1.00 1.04 C ATOM 995 CG PRO A 61 -14.198 7.129 -4.693 1.00 11.32 C ATOM 996 CD PRO A 61 -13.549 5.874 -5.208 1.00 10.20 C ATOM 0 HA PRO A 61 -14.130 5.594 -2.066 1.00 12.03 H new ATOM 0 HB2 PRO A 61 -16.158 6.477 -4.123 1.00 1.04 H new ATOM 0 HB3 PRO A 61 -15.351 7.460 -2.918 1.00 1.04 H new ATOM 0 HG2 PRO A 61 -14.687 7.675 -5.500 1.00 11.32 H new ATOM 0 HG3 PRO A 61 -13.458 7.800 -4.256 1.00 11.32 H new ATOM 0 HD2 PRO A 61 -14.091 5.460 -6.058 1.00 10.20 H new ATOM 0 HD3 PRO A 61 -12.527 6.056 -5.540 1.00 10.20 H new ATOM 1004 N GLU A 62 -16.009 3.633 -3.865 1.00 12.02 N ATOM 1005 CA GLU A 62 -16.982 2.536 -3.812 1.00 23.30 C ATOM 1006 C GLU A 62 -16.567 1.434 -2.816 1.00 43.24 C ATOM 1007 O GLU A 62 -17.398 0.900 -2.082 1.00 21.43 O ATOM 1008 CB GLU A 62 -17.133 1.928 -5.215 1.00 45.33 C ATOM 1009 CG GLU A 62 -15.802 1.500 -5.835 1.00 75.12 C ATOM 1010 CD GLU A 62 -15.953 0.835 -7.194 1.00 14.24 C ATOM 1011 OE1 GLU A 62 -15.942 1.551 -8.218 1.00 21.43 O ATOM 1012 OE2 GLU A 62 -16.077 -0.406 -7.244 1.00 14.01 O ATOM 0 H GLU A 62 -15.613 3.785 -4.793 1.00 12.02 H new ATOM 0 HA GLU A 62 -17.930 2.948 -3.467 1.00 23.30 H new ATOM 0 HB2 GLU A 62 -17.795 1.064 -5.160 1.00 45.33 H new ATOM 0 HB3 GLU A 62 -17.613 2.656 -5.869 1.00 45.33 H new ATOM 0 HG2 GLU A 62 -15.159 2.375 -5.937 1.00 75.12 H new ATOM 0 HG3 GLU A 62 -15.299 0.812 -5.156 1.00 75.12 H new ATOM 1019 N LYS A 63 -15.278 1.092 -2.802 1.00 60.54 N ATOM 1020 CA LYS A 63 -14.776 -0.014 -1.973 1.00 12.44 C ATOM 1021 C LYS A 63 -14.012 0.484 -0.736 1.00 20.21 C ATOM 1022 O LYS A 63 -13.773 -0.285 0.194 1.00 60.42 O ATOM 1023 CB LYS A 63 -13.853 -0.922 -2.805 1.00 11.34 C ATOM 1024 CG LYS A 63 -14.534 -1.606 -3.991 1.00 33.53 C ATOM 1025 CD LYS A 63 -15.635 -2.575 -3.558 1.00 32.41 C ATOM 1026 CE LYS A 63 -15.104 -3.689 -2.659 1.00 43.40 C ATOM 1027 NZ LYS A 63 -14.001 -4.449 -3.303 1.00 23.42 N ATOM 0 H LYS A 63 -14.560 1.562 -3.353 1.00 60.54 H new ATOM 0 HA LYS A 63 -15.646 -0.574 -1.628 1.00 12.44 H new ATOM 0 HB2 LYS A 63 -13.018 -0.327 -3.176 1.00 11.34 H new ATOM 0 HB3 LYS A 63 -13.434 -1.688 -2.152 1.00 11.34 H new ATOM 0 HG2 LYS A 63 -14.960 -0.847 -4.647 1.00 33.53 H new ATOM 0 HG3 LYS A 63 -13.787 -2.147 -4.572 1.00 33.53 H new ATOM 0 HD2 LYS A 63 -16.414 -2.025 -3.030 1.00 32.41 H new ATOM 0 HD3 LYS A 63 -16.098 -3.014 -4.442 1.00 32.41 H new ATOM 0 HE2 LYS A 63 -14.749 -3.260 -1.722 1.00 43.40 H new ATOM 0 HE3 LYS A 63 -15.917 -4.371 -2.410 1.00 43.40 H new ATOM 0 HZ1 LYS A 63 -14.048 -5.446 -3.009 1.00 23.42 H new ATOM 0 HZ2 LYS A 63 -14.095 -4.388 -4.337 1.00 23.42 H new ATOM 0 HZ3 LYS A 63 -13.087 -4.046 -3.014 1.00 23.42 H new ATOM 1041 N ARG A 64 -13.638 1.767 -0.735 1.00 44.22 N ATOM 1042 CA ARG A 64 -12.778 2.348 0.315 1.00 74.25 C ATOM 1043 C ARG A 64 -11.363 1.740 0.281 1.00 22.31 C ATOM 1044 O ARG A 64 -10.577 1.902 1.216 1.00 55.21 O ATOM 1045 CB ARG A 64 -13.410 2.164 1.705 1.00 62.50 C ATOM 1046 CG ARG A 64 -14.749 2.878 1.875 1.00 52.23 C ATOM 1047 CD ARG A 64 -15.429 2.489 3.181 1.00 12.44 C ATOM 1048 NE ARG A 64 -15.736 1.059 3.223 1.00 53.11 N ATOM 1049 CZ ARG A 64 -15.778 0.346 4.313 1.00 52.22 C ATOM 1050 NH1 ARG A 64 -15.530 0.878 5.467 1.00 25.55 N ATOM 1051 NH2 ARG A 64 -16.070 -0.908 4.243 1.00 30.22 N ATOM 0 H ARG A 64 -13.918 2.433 -1.455 1.00 44.22 H new ATOM 0 HA ARG A 64 -12.690 3.416 0.114 1.00 74.25 H new ATOM 0 HB2 ARG A 64 -13.551 1.099 1.891 1.00 62.50 H new ATOM 0 HB3 ARG A 64 -12.715 2.531 2.461 1.00 62.50 H new ATOM 0 HG2 ARG A 64 -14.592 3.956 1.853 1.00 52.23 H new ATOM 0 HG3 ARG A 64 -15.402 2.633 1.037 1.00 52.23 H new ATOM 0 HD2 ARG A 64 -14.783 2.748 4.020 1.00 12.44 H new ATOM 0 HD3 ARG A 64 -16.348 3.063 3.298 1.00 12.44 H new ATOM 0 HE ARG A 64 -15.930 0.588 2.339 1.00 53.11 H new ATOM 0 HH11 ARG A 64 -15.298 1.869 5.532 1.00 25.55 H new ATOM 0 HH12 ARG A 64 -15.567 0.306 6.311 1.00 25.55 H new ATOM 0 HH21 ARG A 64 -16.266 -1.336 3.338 1.00 30.22 H new ATOM 0 HH22 ARG A 64 -16.105 -1.472 5.092 1.00 30.22 H new ATOM 1065 N GLU A 65 -11.045 1.059 -0.821 1.00 41.14 N ATOM 1066 CA GLU A 65 -9.737 0.420 -1.007 1.00 72.30 C ATOM 1067 C GLU A 65 -8.847 1.253 -1.942 1.00 21.22 C ATOM 1068 O GLU A 65 -9.312 1.771 -2.964 1.00 43.15 O ATOM 1069 CB GLU A 65 -9.918 -0.993 -1.589 1.00 42.23 C ATOM 1070 CG GLU A 65 -10.753 -1.927 -0.715 1.00 3.11 C ATOM 1071 CD GLU A 65 -10.982 -3.286 -1.364 1.00 71.14 C ATOM 1072 OE1 GLU A 65 -11.767 -3.360 -2.333 1.00 20.21 O ATOM 1073 OE2 GLU A 65 -10.389 -4.288 -0.905 1.00 22.43 O ATOM 0 H GLU A 65 -11.682 0.934 -1.608 1.00 41.14 H new ATOM 0 HA GLU A 65 -9.251 0.353 -0.034 1.00 72.30 H new ATOM 0 HB2 GLU A 65 -10.389 -0.913 -2.569 1.00 42.23 H new ATOM 0 HB3 GLU A 65 -8.935 -1.439 -1.743 1.00 42.23 H new ATOM 0 HG2 GLU A 65 -10.253 -2.066 0.244 1.00 3.11 H new ATOM 0 HG3 GLU A 65 -11.716 -1.460 -0.508 1.00 3.11 H new ATOM 1080 N ILE A 66 -7.574 1.388 -1.586 1.00 71.14 N ATOM 1081 CA ILE A 66 -6.611 2.126 -2.412 1.00 33.41 C ATOM 1082 C ILE A 66 -5.553 1.188 -3.018 1.00 43.35 C ATOM 1083 O ILE A 66 -4.981 0.345 -2.324 1.00 61.14 O ATOM 1084 CB ILE A 66 -5.903 3.232 -1.592 1.00 44.12 C ATOM 1085 CG1 ILE A 66 -6.941 4.185 -0.971 1.00 55.05 C ATOM 1086 CG2 ILE A 66 -4.920 4.005 -2.471 1.00 40.42 C ATOM 1087 CD1 ILE A 66 -6.337 5.297 -0.138 1.00 63.41 C ATOM 0 H ILE A 66 -7.180 0.997 -0.730 1.00 71.14 H new ATOM 0 HA ILE A 66 -7.177 2.587 -3.221 1.00 33.41 H new ATOM 0 HB ILE A 66 -5.342 2.760 -0.785 1.00 44.12 H new ATOM 0 HG12 ILE A 66 -7.537 4.626 -1.770 1.00 55.05 H new ATOM 0 HG13 ILE A 66 -7.622 3.607 -0.347 1.00 55.05 H new ATOM 0 HG21 ILE A 66 -4.432 4.778 -1.878 1.00 40.42 H new ATOM 0 HG22 ILE A 66 -4.168 3.321 -2.865 1.00 40.42 H new ATOM 0 HG23 ILE A 66 -5.458 4.468 -3.298 1.00 40.42 H new ATOM 0 HD11 ILE A 66 -7.133 5.924 0.264 1.00 63.41 H new ATOM 0 HD12 ILE A 66 -5.765 4.866 0.684 1.00 63.41 H new ATOM 0 HD13 ILE A 66 -5.678 5.902 -0.761 1.00 63.41 H new ATOM 1099 N ASP A 67 -5.299 1.342 -4.314 1.00 63.30 N ATOM 1100 CA ASP A 67 -4.279 0.553 -5.012 1.00 63.31 C ATOM 1101 C ASP A 67 -2.891 1.205 -4.859 1.00 53.11 C ATOM 1102 O ASP A 67 -2.726 2.386 -5.151 1.00 42.11 O ATOM 1103 CB ASP A 67 -4.640 0.454 -6.500 1.00 61.32 C ATOM 1104 CG ASP A 67 -6.031 -0.119 -6.730 1.00 0.15 C ATOM 1105 OD1 ASP A 67 -6.225 -1.326 -6.506 1.00 40.14 O ATOM 1106 OD2 ASP A 67 -6.932 0.633 -7.156 1.00 33.34 O ATOM 0 H ASP A 67 -5.788 2.011 -4.909 1.00 63.30 H new ATOM 0 HA ASP A 67 -4.245 -0.444 -4.573 1.00 63.31 H new ATOM 0 HB2 ASP A 67 -4.581 1.445 -6.951 1.00 61.32 H new ATOM 0 HB3 ASP A 67 -3.905 -0.172 -7.007 1.00 61.32 H new ATOM 1111 N PHE A 68 -1.897 0.443 -4.396 1.00 11.43 N ATOM 1112 CA PHE A 68 -0.536 0.980 -4.214 1.00 54.21 C ATOM 1113 C PHE A 68 0.467 0.406 -5.228 1.00 33.23 C ATOM 1114 O PHE A 68 0.303 -0.705 -5.726 1.00 22.24 O ATOM 1115 CB PHE A 68 -0.025 0.700 -2.793 1.00 45.45 C ATOM 1116 CG PHE A 68 -0.762 1.445 -1.711 1.00 52.54 C ATOM 1117 CD1 PHE A 68 -0.996 2.808 -1.827 1.00 63.14 C ATOM 1118 CD2 PHE A 68 -1.200 0.790 -0.570 1.00 13.35 C ATOM 1119 CE1 PHE A 68 -1.655 3.499 -0.829 1.00 64.14 C ATOM 1120 CE2 PHE A 68 -1.861 1.479 0.429 1.00 31.31 C ATOM 1121 CZ PHE A 68 -2.089 2.832 0.300 1.00 74.22 C ATOM 0 H PHE A 68 -2.002 -0.539 -4.141 1.00 11.43 H new ATOM 0 HA PHE A 68 -0.608 2.055 -4.380 1.00 54.21 H new ATOM 0 HB2 PHE A 68 -0.100 -0.370 -2.597 1.00 45.45 H new ATOM 0 HB3 PHE A 68 1.032 0.960 -2.742 1.00 45.45 H new ATOM 0 HD1 PHE A 68 -0.659 3.334 -2.708 1.00 63.14 H new ATOM 0 HD2 PHE A 68 -1.023 -0.270 -0.461 1.00 13.35 H new ATOM 0 HE1 PHE A 68 -1.831 4.560 -0.931 1.00 64.14 H new ATOM 0 HE2 PHE A 68 -2.199 0.957 1.312 1.00 31.31 H new ATOM 0 HZ PHE A 68 -2.606 3.370 1.081 1.00 74.22 H new ATOM 1131 N LYS A 69 1.511 1.185 -5.517 1.00 63.13 N ATOM 1132 CA LYS A 69 2.627 0.736 -6.360 1.00 30.13 C ATOM 1133 C LYS A 69 3.962 1.142 -5.723 1.00 51.02 C ATOM 1134 O LYS A 69 4.061 2.208 -5.109 1.00 64.44 O ATOM 1135 CB LYS A 69 2.536 1.345 -7.773 1.00 54.14 C ATOM 1136 CG LYS A 69 3.577 0.785 -8.742 1.00 12.42 C ATOM 1137 CD LYS A 69 3.523 1.432 -10.131 1.00 65.13 C ATOM 1138 CE LYS A 69 4.123 2.841 -10.157 1.00 15.31 C ATOM 1139 NZ LYS A 69 3.170 3.887 -9.700 1.00 53.23 N ATOM 0 H LYS A 69 1.609 2.141 -5.176 1.00 63.13 H new ATOM 0 HA LYS A 69 2.569 -0.349 -6.441 1.00 30.13 H new ATOM 0 HB2 LYS A 69 1.540 1.163 -8.176 1.00 54.14 H new ATOM 0 HB3 LYS A 69 2.659 2.426 -7.704 1.00 54.14 H new ATOM 0 HG2 LYS A 69 4.571 0.930 -8.320 1.00 12.42 H new ATOM 0 HG3 LYS A 69 3.428 -0.290 -8.844 1.00 12.42 H new ATOM 0 HD2 LYS A 69 4.059 0.802 -10.841 1.00 65.13 H new ATOM 0 HD3 LYS A 69 2.486 1.478 -10.465 1.00 65.13 H new ATOM 0 HE2 LYS A 69 5.010 2.864 -9.524 1.00 15.31 H new ATOM 0 HE3 LYS A 69 4.449 3.072 -11.171 1.00 15.31 H new ATOM 0 HZ1 LYS A 69 3.683 4.610 -9.155 1.00 53.23 H new ATOM 0 HZ2 LYS A 69 2.719 4.331 -10.526 1.00 53.23 H new ATOM 0 HZ3 LYS A 69 2.441 3.453 -9.099 1.00 53.23 H new ATOM 1153 N TYR A 70 4.987 0.307 -5.875 1.00 50.43 N ATOM 1154 CA TYR A 70 6.318 0.636 -5.359 1.00 41.53 C ATOM 1155 C TYR A 70 7.131 1.408 -6.408 1.00 25.44 C ATOM 1156 O TYR A 70 7.152 1.045 -7.584 1.00 33.42 O ATOM 1157 CB TYR A 70 7.077 -0.632 -4.946 1.00 22.33 C ATOM 1158 CG TYR A 70 8.427 -0.348 -4.303 1.00 21.32 C ATOM 1159 CD1 TYR A 70 8.537 -0.159 -2.927 1.00 72.21 C ATOM 1160 CD2 TYR A 70 9.587 -0.259 -5.069 1.00 61.10 C ATOM 1161 CE1 TYR A 70 9.758 0.111 -2.339 1.00 32.31 C ATOM 1162 CE2 TYR A 70 10.810 0.012 -4.487 1.00 65.33 C ATOM 1163 CZ TYR A 70 10.892 0.196 -3.123 1.00 42.01 C ATOM 1164 OH TYR A 70 12.113 0.467 -2.541 1.00 53.23 O ATOM 0 H TYR A 70 4.926 -0.595 -6.347 1.00 50.43 H new ATOM 0 HA TYR A 70 6.185 1.265 -4.479 1.00 41.53 H new ATOM 0 HB2 TYR A 70 6.464 -1.202 -4.248 1.00 22.33 H new ATOM 0 HB3 TYR A 70 7.227 -1.259 -5.825 1.00 22.33 H new ATOM 0 HD1 TYR A 70 7.653 -0.225 -2.310 1.00 72.21 H new ATOM 0 HD2 TYR A 70 9.529 -0.405 -6.138 1.00 61.10 H new ATOM 0 HE1 TYR A 70 9.825 0.255 -1.271 1.00 32.31 H new ATOM 0 HE2 TYR A 70 11.698 0.079 -5.098 1.00 65.33 H new ATOM 0 HH TYR A 70 12.769 -0.200 -2.832 1.00 53.23 H new ATOM 1174 N ILE A 71 7.797 2.472 -5.971 1.00 44.24 N ATOM 1175 CA ILE A 71 8.611 3.306 -6.862 1.00 64.13 C ATOM 1176 C ILE A 71 9.996 3.596 -6.257 1.00 52.11 C ATOM 1177 O ILE A 71 10.121 3.817 -5.052 1.00 11.10 O ATOM 1178 CB ILE A 71 7.898 4.650 -7.166 1.00 2.13 C ATOM 1179 CG1 ILE A 71 7.457 5.323 -5.856 1.00 52.40 C ATOM 1180 CG2 ILE A 71 6.705 4.433 -8.096 1.00 32.41 C ATOM 1181 CD1 ILE A 71 6.786 6.664 -6.052 1.00 12.53 C ATOM 0 H ILE A 71 7.791 2.782 -4.999 1.00 44.24 H new ATOM 0 HA ILE A 71 8.743 2.746 -7.788 1.00 64.13 H new ATOM 0 HB ILE A 71 8.601 5.310 -7.674 1.00 2.13 H new ATOM 0 HG12 ILE A 71 6.772 4.658 -5.330 1.00 52.40 H new ATOM 0 HG13 ILE A 71 8.329 5.454 -5.215 1.00 52.40 H new ATOM 0 HG21 ILE A 71 6.220 5.389 -8.295 1.00 32.41 H new ATOM 0 HG22 ILE A 71 7.049 3.998 -9.034 1.00 32.41 H new ATOM 0 HG23 ILE A 71 5.993 3.757 -7.623 1.00 32.41 H new ATOM 0 HD11 ILE A 71 6.504 7.075 -5.083 1.00 12.53 H new ATOM 0 HD12 ILE A 71 7.475 7.347 -6.549 1.00 12.53 H new ATOM 0 HD13 ILE A 71 5.894 6.538 -6.666 1.00 12.53 H new ATOM 1193 N PRO A 72 11.063 3.581 -7.082 1.00 71.42 N ATOM 1194 CA PRO A 72 12.413 3.954 -6.632 1.00 24.44 C ATOM 1195 C PRO A 72 12.597 5.481 -6.527 1.00 34.24 C ATOM 1196 O PRO A 72 12.098 6.239 -7.363 1.00 24.40 O ATOM 1197 CB PRO A 72 13.311 3.369 -7.729 1.00 24.04 C ATOM 1198 CG PRO A 72 12.468 3.406 -8.962 1.00 32.42 C ATOM 1199 CD PRO A 72 11.044 3.180 -8.506 1.00 71.53 C ATOM 0 HA PRO A 72 12.636 3.581 -5.632 1.00 24.44 H new ATOM 0 HB2 PRO A 72 14.221 3.957 -7.852 1.00 24.04 H new ATOM 0 HB3 PRO A 72 13.619 2.351 -7.489 1.00 24.04 H new ATOM 0 HG2 PRO A 72 12.566 4.364 -9.472 1.00 32.42 H new ATOM 0 HG3 PRO A 72 12.777 2.636 -9.668 1.00 32.42 H new ATOM 0 HD2 PRO A 72 10.339 3.780 -9.082 1.00 71.53 H new ATOM 0 HD3 PRO A 72 10.746 2.138 -8.625 1.00 71.53 H new ATOM 1207 N LEU A 73 13.325 5.928 -5.504 1.00 14.14 N ATOM 1208 CA LEU A 73 13.531 7.364 -5.267 1.00 50.42 C ATOM 1209 C LEU A 73 15.030 7.680 -5.156 1.00 65.21 C ATOM 1210 O LEU A 73 15.769 6.996 -4.444 1.00 2.45 O ATOM 1211 CB LEU A 73 12.780 7.788 -3.986 1.00 41.30 C ATOM 1212 CG LEU A 73 12.541 9.304 -3.788 1.00 0.25 C ATOM 1213 CD1 LEU A 73 11.501 9.542 -2.694 1.00 43.15 C ATOM 1214 CD2 LEU A 73 13.836 10.042 -3.444 1.00 13.54 C ATOM 0 H LEU A 73 13.783 5.320 -4.825 1.00 14.14 H new ATOM 0 HA LEU A 73 13.133 7.929 -6.110 1.00 50.42 H new ATOM 0 HB2 LEU A 73 11.812 7.287 -3.978 1.00 41.30 H new ATOM 0 HB3 LEU A 73 13.338 7.417 -3.126 1.00 41.30 H new ATOM 0 HG LEU A 73 12.169 9.701 -4.732 1.00 0.25 H new ATOM 0 HD11 LEU A 73 11.345 10.613 -2.567 1.00 43.15 H new ATOM 0 HD12 LEU A 73 10.561 9.069 -2.977 1.00 43.15 H new ATOM 0 HD13 LEU A 73 11.855 9.114 -1.756 1.00 43.15 H new ATOM 0 HD21 LEU A 73 13.626 11.104 -3.313 1.00 13.54 H new ATOM 0 HD22 LEU A 73 14.251 9.637 -2.521 1.00 13.54 H new ATOM 0 HD23 LEU A 73 14.555 9.912 -4.253 1.00 13.54 H new ATOM 1226 N GLU A 74 15.474 8.720 -5.858 1.00 11.04 N ATOM 1227 CA GLU A 74 16.883 9.136 -5.825 1.00 12.14 C ATOM 1228 C GLU A 74 17.031 10.656 -5.604 1.00 11.34 C ATOM 1229 O GLU A 74 17.967 11.068 -4.881 1.00 38.65 O ATOM 1230 CB GLU A 74 17.594 8.709 -7.116 1.00 5.44 C ATOM 1231 CG GLU A 74 17.056 9.361 -8.385 1.00 23.12 C ATOM 1232 CD GLU A 74 17.783 8.885 -9.632 1.00 33.10 C ATOM 1233 OE1 GLU A 74 18.999 9.157 -9.756 1.00 50.32 O ATOM 1234 OE2 GLU A 74 17.148 8.239 -10.490 1.00 41.25 O ATOM 0 H GLU A 74 14.882 9.294 -6.458 1.00 11.04 H new ATOM 0 HA GLU A 74 17.353 8.638 -4.977 1.00 12.14 H new ATOM 0 HB2 GLU A 74 18.655 8.943 -7.025 1.00 5.44 H new ATOM 0 HB3 GLU A 74 17.514 7.627 -7.218 1.00 5.44 H new ATOM 0 HG2 GLU A 74 15.993 9.141 -8.481 1.00 23.12 H new ATOM 0 HG3 GLU A 74 17.151 10.444 -8.303 1.00 23.12 H new TER 1241 GLU A 74