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 55 GLN : amide:sc= 1.72 K(o=2.9,f=-5.8) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 150:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -154:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 ASN : amide:sc= -0.0483 K(o=-0.048,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 135:sc= -0.339 (180deg=-1.76) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -87:sc= 1.21 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.684 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 152:sc= 0.795 USER MOD Single : A 24 ASN : amide:sc= 0.133 K(o=0.13,f=-6.4!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0145 F(o=-0.71,f=-0.015) USER MOD Single : A 38 MET CE :methyl -167:sc= -0.75 (180deg=-1.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 47 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0.43 (180deg=0.33) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.907 13.570 6.848 1.00 13.15 N ATOM 2 CA MET A 1 -4.255 13.558 5.511 1.00 32.25 C ATOM 3 C MET A 1 -5.138 12.869 4.463 1.00 73.21 C ATOM 4 O MET A 1 -5.523 11.713 4.631 1.00 41.02 O ATOM 5 CB MET A 1 -2.899 12.843 5.590 1.00 63.04 C ATOM 6 CG MET A 1 -2.144 12.804 4.266 1.00 5.44 C ATOM 7 SD MET A 1 -0.583 11.906 4.383 1.00 34.04 S ATOM 8 CE MET A 1 -1.170 10.244 4.705 1.00 54.32 C ATOM 0 H1 MET A 1 -4.547 14.372 7.403 1.00 13.15 H new ATOM 0 H2 MET A 1 -5.936 13.664 6.732 1.00 13.15 H new ATOM 0 H3 MET A 1 -4.695 12.682 7.346 1.00 13.15 H new ATOM 0 HA MET A 1 -4.106 14.594 5.206 1.00 32.25 H new ATOM 0 HB2 MET A 1 -2.280 13.341 6.336 1.00 63.04 H new ATOM 0 HB3 MET A 1 -3.057 11.822 5.937 1.00 63.04 H new ATOM 0 HG2 MET A 1 -2.772 12.336 3.508 1.00 5.44 H new ATOM 0 HG3 MET A 1 -1.948 13.823 3.933 1.00 5.44 H new ATOM 0 HE1 MET A 1 -0.625 9.538 4.079 1.00 54.32 H new ATOM 0 HE2 MET A 1 -1.009 9.998 5.755 1.00 54.32 H new ATOM 0 HE3 MET A 1 -2.234 10.184 4.478 1.00 54.32 H new ATOM 20 N ASP A 2 -5.441 13.580 3.380 1.00 70.00 N ATOM 21 CA ASP A 2 -6.241 13.028 2.283 1.00 41.53 C ATOM 22 C ASP A 2 -5.343 12.365 1.220 1.00 73.45 C ATOM 23 O ASP A 2 -4.165 12.698 1.091 1.00 2.40 O ATOM 24 CB ASP A 2 -7.092 14.140 1.655 1.00 33.42 C ATOM 25 CG ASP A 2 -7.892 13.660 0.458 1.00 53.13 C ATOM 26 OD1 ASP A 2 -8.702 12.722 0.618 1.00 41.44 O ATOM 27 OD2 ASP A 2 -7.717 14.215 -0.648 1.00 71.31 O ATOM 0 H ASP A 2 -5.144 14.545 3.236 1.00 70.00 H new ATOM 0 HA ASP A 2 -6.899 12.258 2.685 1.00 41.53 H new ATOM 0 HB2 ASP A 2 -7.774 14.538 2.406 1.00 33.42 H new ATOM 0 HB3 ASP A 2 -6.442 14.959 1.348 1.00 33.42 H new ATOM 32 N VAL A 3 -5.907 11.420 0.466 1.00 13.04 N ATOM 33 CA VAL A 3 -5.161 10.705 -0.580 1.00 24.41 C ATOM 34 C VAL A 3 -5.887 10.760 -1.936 1.00 20.30 C ATOM 35 O VAL A 3 -7.087 10.498 -2.026 1.00 15.40 O ATOM 36 CB VAL A 3 -4.925 9.222 -0.190 1.00 10.32 C ATOM 37 CG1 VAL A 3 -4.204 8.467 -1.307 1.00 64.32 C ATOM 38 CG2 VAL A 3 -4.139 9.131 1.115 1.00 24.22 C ATOM 0 H VAL A 3 -6.880 11.129 0.558 1.00 13.04 H new ATOM 0 HA VAL A 3 -4.199 11.209 -0.675 1.00 24.41 H new ATOM 0 HB VAL A 3 -5.898 8.753 -0.042 1.00 10.32 H new ATOM 0 HG11 VAL A 3 -4.052 7.430 -1.006 1.00 64.32 H new ATOM 0 HG12 VAL A 3 -4.807 8.497 -2.214 1.00 64.32 H new ATOM 0 HG13 VAL A 3 -3.238 8.935 -1.498 1.00 64.32 H new ATOM 0 HG21 VAL A 3 -3.983 8.084 1.373 1.00 24.22 H new ATOM 0 HG22 VAL A 3 -3.174 9.623 0.993 1.00 24.22 H new ATOM 0 HG23 VAL A 3 -4.698 9.622 1.912 1.00 24.22 H new ATOM 48 N GLU A 4 -5.141 11.097 -2.988 1.00 44.20 N ATOM 49 CA GLU A 4 -5.679 11.148 -4.355 1.00 41.51 C ATOM 50 C GLU A 4 -4.911 10.189 -5.286 1.00 31.42 C ATOM 51 O GLU A 4 -3.720 9.934 -5.083 1.00 10.14 O ATOM 52 CB GLU A 4 -5.591 12.583 -4.900 1.00 43.13 C ATOM 53 CG GLU A 4 -6.435 13.594 -4.128 1.00 10.45 C ATOM 54 CD GLU A 4 -6.185 15.029 -4.569 1.00 54.24 C ATOM 55 OE1 GLU A 4 -5.260 15.669 -4.023 1.00 23.22 O ATOM 56 OE2 GLU A 4 -6.904 15.522 -5.465 1.00 42.11 O ATOM 0 H GLU A 4 -4.153 11.341 -2.922 1.00 44.20 H new ATOM 0 HA GLU A 4 -6.723 10.835 -4.323 1.00 41.51 H new ATOM 0 HB2 GLU A 4 -4.550 12.905 -4.881 1.00 43.13 H new ATOM 0 HB3 GLU A 4 -5.906 12.584 -5.944 1.00 43.13 H new ATOM 0 HG2 GLU A 4 -7.490 13.356 -4.261 1.00 10.45 H new ATOM 0 HG3 GLU A 4 -6.219 13.503 -3.063 1.00 10.45 H new ATOM 63 N PRO A 5 -5.583 9.641 -6.320 1.00 32.52 N ATOM 64 CA PRO A 5 -4.942 8.741 -7.297 1.00 3.21 C ATOM 65 C PRO A 5 -3.746 9.395 -8.023 1.00 60.13 C ATOM 66 O PRO A 5 -3.920 10.224 -8.918 1.00 64.25 O ATOM 67 CB PRO A 5 -6.076 8.419 -8.288 1.00 52.53 C ATOM 68 CG PRO A 5 -7.336 8.698 -7.536 1.00 51.51 C ATOM 69 CD PRO A 5 -7.015 9.843 -6.614 1.00 75.22 C ATOM 0 HA PRO A 5 -4.518 7.860 -6.815 1.00 3.21 H new ATOM 0 HB2 PRO A 5 -6.005 9.037 -9.183 1.00 52.53 H new ATOM 0 HB3 PRO A 5 -6.032 7.380 -8.614 1.00 52.53 H new ATOM 0 HG2 PRO A 5 -8.148 8.958 -8.215 1.00 51.51 H new ATOM 0 HG3 PRO A 5 -7.659 7.822 -6.974 1.00 51.51 H new ATOM 0 HD2 PRO A 5 -7.197 10.807 -7.089 1.00 75.22 H new ATOM 0 HD3 PRO A 5 -7.621 9.814 -5.708 1.00 75.22 H new ATOM 77 N GLY A 6 -2.530 9.026 -7.614 1.00 65.35 N ATOM 78 CA GLY A 6 -1.320 9.571 -8.229 1.00 13.42 C ATOM 79 C GLY A 6 -0.414 10.312 -7.247 1.00 4.03 C ATOM 80 O GLY A 6 0.581 10.917 -7.653 1.00 3.24 O ATOM 0 H GLY A 6 -2.359 8.356 -6.864 1.00 65.35 H new ATOM 0 HA2 GLY A 6 -0.757 8.757 -8.686 1.00 13.42 H new ATOM 0 HA3 GLY A 6 -1.605 10.252 -9.031 1.00 13.42 H new ATOM 84 N LYS A 7 -0.748 10.270 -5.957 1.00 3.41 N ATOM 85 CA LYS A 7 0.038 10.973 -4.928 1.00 44.23 C ATOM 86 C LYS A 7 0.995 10.021 -4.183 1.00 43.03 C ATOM 87 O LYS A 7 0.740 8.819 -4.078 1.00 65.10 O ATOM 88 CB LYS A 7 -0.901 11.653 -3.922 1.00 65.31 C ATOM 89 CG LYS A 7 -1.929 12.589 -4.556 1.00 74.04 C ATOM 90 CD LYS A 7 -1.274 13.719 -5.350 1.00 50.33 C ATOM 91 CE LYS A 7 -2.315 14.640 -5.979 1.00 4.34 C ATOM 92 NZ LYS A 7 -1.692 15.739 -6.760 1.00 2.34 N ATOM 0 H LYS A 7 -1.554 9.760 -5.595 1.00 3.41 H new ATOM 0 HA LYS A 7 0.643 11.724 -5.436 1.00 44.23 H new ATOM 0 HB2 LYS A 7 -1.427 10.884 -3.356 1.00 65.31 H new ATOM 0 HB3 LYS A 7 -0.302 12.219 -3.209 1.00 65.31 H new ATOM 0 HG2 LYS A 7 -2.581 12.016 -5.215 1.00 74.04 H new ATOM 0 HG3 LYS A 7 -2.559 13.015 -3.775 1.00 74.04 H new ATOM 0 HD2 LYS A 7 -0.625 14.298 -4.693 1.00 50.33 H new ATOM 0 HD3 LYS A 7 -0.642 13.297 -6.131 1.00 50.33 H new ATOM 0 HE2 LYS A 7 -2.967 14.058 -6.630 1.00 4.34 H new ATOM 0 HE3 LYS A 7 -2.943 15.064 -5.196 1.00 4.34 H new ATOM 0 HZ1 LYS A 7 -2.436 16.339 -7.169 1.00 2.34 H new ATOM 0 HZ2 LYS A 7 -1.090 16.312 -6.134 1.00 2.34 H new ATOM 0 HZ3 LYS A 7 -1.113 15.337 -7.524 1.00 2.34 H new ATOM 106 N PHE A 8 2.091 10.576 -3.661 1.00 50.05 N ATOM 107 CA PHE A 8 3.102 9.797 -2.922 1.00 20.32 C ATOM 108 C PHE A 8 2.905 9.912 -1.400 1.00 64.14 C ATOM 109 O PHE A 8 2.757 11.015 -0.869 1.00 73.31 O ATOM 110 CB PHE A 8 4.511 10.291 -3.272 1.00 34.22 C ATOM 111 CG PHE A 8 4.856 10.193 -4.735 1.00 52.05 C ATOM 112 CD1 PHE A 8 5.255 8.987 -5.283 1.00 13.53 C ATOM 113 CD2 PHE A 8 4.789 11.308 -5.558 1.00 72.12 C ATOM 114 CE1 PHE A 8 5.582 8.891 -6.621 1.00 11.52 C ATOM 115 CE2 PHE A 8 5.118 11.217 -6.897 1.00 20.22 C ATOM 116 CZ PHE A 8 5.514 10.007 -7.428 1.00 1.22 C ATOM 0 H PHE A 8 2.307 11.570 -3.735 1.00 50.05 H new ATOM 0 HA PHE A 8 2.983 8.754 -3.215 1.00 20.32 H new ATOM 0 HB2 PHE A 8 4.608 11.330 -2.957 1.00 34.22 H new ATOM 0 HB3 PHE A 8 5.238 9.715 -2.700 1.00 34.22 H new ATOM 0 HD1 PHE A 8 5.311 8.109 -4.656 1.00 13.53 H new ATOM 0 HD2 PHE A 8 4.476 12.257 -5.148 1.00 72.12 H new ATOM 0 HE1 PHE A 8 5.891 7.943 -7.035 1.00 11.52 H new ATOM 0 HE2 PHE A 8 5.065 12.092 -7.527 1.00 20.22 H new ATOM 0 HZ PHE A 8 5.770 9.934 -8.475 1.00 1.22 H new ATOM 126 N TYR A 9 2.927 8.775 -0.697 1.00 20.22 N ATOM 127 CA TYR A 9 2.781 8.769 0.769 1.00 70.35 C ATOM 128 C TYR A 9 3.623 7.667 1.432 1.00 15.20 C ATOM 129 O TYR A 9 3.824 6.589 0.871 1.00 21.21 O ATOM 130 CB TYR A 9 1.304 8.602 1.162 1.00 72.14 C ATOM 131 CG TYR A 9 0.439 9.790 0.781 1.00 13.21 C ATOM 132 CD1 TYR A 9 0.585 11.005 1.434 1.00 41.53 C ATOM 133 CD2 TYR A 9 -0.502 9.703 -0.240 1.00 11.24 C ATOM 134 CE1 TYR A 9 -0.181 12.098 1.086 1.00 11.45 C ATOM 135 CE2 TYR A 9 -1.269 10.797 -0.596 1.00 24.24 C ATOM 136 CZ TYR A 9 -1.106 11.990 0.073 1.00 71.01 C ATOM 137 OH TYR A 9 -1.857 13.088 -0.285 1.00 12.14 O ATOM 0 H TYR A 9 3.044 7.851 -1.113 1.00 20.22 H new ATOM 0 HA TYR A 9 3.148 9.730 1.129 1.00 70.35 H new ATOM 0 HB2 TYR A 9 0.908 7.706 0.684 1.00 72.14 H new ATOM 0 HB3 TYR A 9 1.238 8.445 2.239 1.00 72.14 H new ATOM 0 HD1 TYR A 9 1.311 11.097 2.228 1.00 41.53 H new ATOM 0 HD2 TYR A 9 -0.635 8.767 -0.762 1.00 11.24 H new ATOM 0 HE1 TYR A 9 -0.055 13.036 1.607 1.00 11.45 H new ATOM 0 HE2 TYR A 9 -1.992 10.717 -1.394 1.00 24.24 H new ATOM 0 HH TYR A 9 -2.657 13.135 0.279 1.00 12.14 H new ATOM 147 N LYS A 10 4.116 7.953 2.637 1.00 23.21 N ATOM 148 CA LYS A 10 4.881 6.980 3.426 1.00 3.14 C ATOM 149 C LYS A 10 3.958 6.262 4.422 1.00 41.43 C ATOM 150 O LYS A 10 3.415 6.886 5.336 1.00 13.42 O ATOM 151 CB LYS A 10 6.021 7.695 4.171 1.00 73.43 C ATOM 152 CG LYS A 10 6.889 6.774 5.032 1.00 33.20 C ATOM 153 CD LYS A 10 7.984 7.550 5.770 1.00 13.04 C ATOM 154 CE LYS A 10 8.985 8.182 4.805 1.00 55.45 C ATOM 155 NZ LYS A 10 9.973 9.047 5.504 1.00 41.32 N ATOM 0 H LYS A 10 3.999 8.858 3.093 1.00 23.21 H new ATOM 0 HA LYS A 10 5.310 6.236 2.755 1.00 3.14 H new ATOM 0 HB2 LYS A 10 6.657 8.196 3.442 1.00 73.43 H new ATOM 0 HB3 LYS A 10 5.593 8.470 4.807 1.00 73.43 H new ATOM 0 HG2 LYS A 10 6.261 6.255 5.756 1.00 33.20 H new ATOM 0 HG3 LYS A 10 7.346 6.011 4.401 1.00 33.20 H new ATOM 0 HD2 LYS A 10 7.528 8.329 6.381 1.00 13.04 H new ATOM 0 HD3 LYS A 10 8.509 6.879 6.449 1.00 13.04 H new ATOM 0 HE2 LYS A 10 9.512 7.396 4.265 1.00 55.45 H new ATOM 0 HE3 LYS A 10 8.448 8.773 4.063 1.00 55.45 H new ATOM 0 HZ1 LYS A 10 10.631 9.454 4.809 1.00 41.32 H new ATOM 0 HZ2 LYS A 10 9.474 9.814 5.999 1.00 41.32 H new ATOM 0 HZ3 LYS A 10 10.505 8.479 6.194 1.00 41.32 H new ATOM 169 N GLY A 11 3.772 4.958 4.238 1.00 34.33 N ATOM 170 CA GLY A 11 2.860 4.204 5.093 1.00 65.11 C ATOM 171 C GLY A 11 3.514 3.004 5.769 1.00 25.33 C ATOM 172 O GLY A 11 4.636 2.624 5.434 1.00 24.32 O ATOM 0 H GLY A 11 4.234 4.407 3.514 1.00 34.33 H new ATOM 0 HA2 GLY A 11 2.459 4.868 5.858 1.00 65.11 H new ATOM 0 HA3 GLY A 11 2.016 3.859 4.496 1.00 65.11 H new ATOM 176 N VAL A 12 2.805 2.394 6.715 1.00 54.14 N ATOM 177 CA VAL A 12 3.333 1.244 7.457 1.00 64.03 C ATOM 178 C VAL A 12 2.558 -0.050 7.138 1.00 14.02 C ATOM 179 O VAL A 12 1.334 -0.035 6.982 1.00 21.00 O ATOM 180 CB VAL A 12 3.303 1.510 8.985 1.00 43.55 C ATOM 181 CG1 VAL A 12 1.869 1.663 9.494 1.00 43.04 C ATOM 182 CG2 VAL A 12 4.042 0.407 9.738 1.00 24.31 C ATOM 0 H VAL A 12 1.863 2.674 6.989 1.00 54.14 H new ATOM 0 HA VAL A 12 4.366 1.108 7.138 1.00 64.03 H new ATOM 0 HB VAL A 12 3.818 2.452 9.173 1.00 43.55 H new ATOM 0 HG11 VAL A 12 1.882 1.848 10.568 1.00 43.04 H new ATOM 0 HG12 VAL A 12 1.390 2.501 8.987 1.00 43.04 H new ATOM 0 HG13 VAL A 12 1.311 0.749 9.290 1.00 43.04 H new ATOM 0 HG21 VAL A 12 4.009 0.612 10.808 1.00 24.31 H new ATOM 0 HG22 VAL A 12 3.565 -0.553 9.538 1.00 24.31 H new ATOM 0 HG23 VAL A 12 5.080 0.373 9.407 1.00 24.31 H new ATOM 192 N VAL A 13 3.285 -1.164 7.034 1.00 11.14 N ATOM 193 CA VAL A 13 2.684 -2.471 6.736 1.00 74.33 C ATOM 194 C VAL A 13 1.931 -3.040 7.954 1.00 30.42 C ATOM 195 O VAL A 13 2.476 -3.112 9.060 1.00 21.44 O ATOM 196 CB VAL A 13 3.761 -3.492 6.281 1.00 21.14 C ATOM 197 CG1 VAL A 13 3.130 -4.842 5.936 1.00 12.41 C ATOM 198 CG2 VAL A 13 4.557 -2.948 5.095 1.00 43.44 C ATOM 0 H VAL A 13 4.298 -1.189 7.152 1.00 11.14 H new ATOM 0 HA VAL A 13 1.973 -2.312 5.925 1.00 74.33 H new ATOM 0 HB VAL A 13 4.449 -3.646 7.113 1.00 21.14 H new ATOM 0 HG11 VAL A 13 3.908 -5.537 5.621 1.00 12.41 H new ATOM 0 HG12 VAL A 13 2.621 -5.241 6.814 1.00 12.41 H new ATOM 0 HG13 VAL A 13 2.411 -4.711 5.128 1.00 12.41 H new ATOM 0 HG21 VAL A 13 5.306 -3.680 4.793 1.00 43.44 H new ATOM 0 HG22 VAL A 13 3.882 -2.755 4.261 1.00 43.44 H new ATOM 0 HG23 VAL A 13 5.052 -2.021 5.384 1.00 43.44 H new ATOM 208 N THR A 14 0.680 -3.446 7.738 1.00 14.21 N ATOM 209 CA THR A 14 -0.169 -3.994 8.811 1.00 73.11 C ATOM 210 C THR A 14 -0.081 -5.523 8.894 1.00 5.03 C ATOM 211 O THR A 14 0.188 -6.079 9.957 1.00 35.34 O ATOM 212 CB THR A 14 -1.653 -3.613 8.611 1.00 15.51 C ATOM 213 OG1 THR A 14 -2.147 -4.189 7.391 1.00 24.31 O ATOM 214 CG2 THR A 14 -1.826 -2.100 8.562 1.00 30.43 C ATOM 0 H THR A 14 0.224 -3.408 6.826 1.00 14.21 H new ATOM 0 HA THR A 14 0.208 -3.558 9.736 1.00 73.11 H new ATOM 0 HB THR A 14 -2.219 -4.002 9.457 1.00 15.51 H new ATOM 0 HG1 THR A 14 -1.768 -3.709 6.625 1.00 24.31 H new ATOM 0 HG21 THR A 14 -2.879 -1.859 8.421 1.00 30.43 H new ATOM 0 HG22 THR A 14 -1.476 -1.663 9.497 1.00 30.43 H new ATOM 0 HG23 THR A 14 -1.246 -1.694 7.733 1.00 30.43 H new ATOM 222 N ARG A 15 -0.337 -6.199 7.775 1.00 21.43 N ATOM 223 CA ARG A 15 -0.279 -7.666 7.724 1.00 30.30 C ATOM 224 C ARG A 15 0.054 -8.161 6.305 1.00 33.13 C ATOM 225 O ARG A 15 -0.187 -7.461 5.319 1.00 64.52 O ATOM 226 CB ARG A 15 -1.616 -8.271 8.189 1.00 43.45 C ATOM 227 CG ARG A 15 -2.768 -8.065 7.207 1.00 20.12 C ATOM 228 CD ARG A 15 -4.087 -8.618 7.744 1.00 4.13 C ATOM 229 NE ARG A 15 -5.017 -8.938 6.662 1.00 34.05 N ATOM 230 CZ ARG A 15 -6.228 -8.468 6.551 1.00 53.22 C ATOM 231 NH1 ARG A 15 -6.699 -7.639 7.428 1.00 34.22 N ATOM 232 NH2 ARG A 15 -6.964 -8.837 5.554 1.00 62.44 N ATOM 0 H ARG A 15 -0.587 -5.758 6.890 1.00 21.43 H new ATOM 0 HA ARG A 15 0.515 -7.992 8.396 1.00 30.30 H new ATOM 0 HB2 ARG A 15 -1.481 -9.340 8.355 1.00 43.45 H new ATOM 0 HB3 ARG A 15 -1.888 -7.831 9.149 1.00 43.45 H new ATOM 0 HG2 ARG A 15 -2.880 -7.001 6.998 1.00 20.12 H new ATOM 0 HG3 ARG A 15 -2.529 -8.552 6.262 1.00 20.12 H new ATOM 0 HD2 ARG A 15 -3.893 -9.513 8.335 1.00 4.13 H new ATOM 0 HD3 ARG A 15 -4.543 -7.888 8.412 1.00 4.13 H new ATOM 0 HE ARG A 15 -4.693 -9.579 5.938 1.00 34.05 H new ATOM 0 HH11 ARG A 15 -6.121 -7.347 8.216 1.00 34.22 H new ATOM 0 HH12 ARG A 15 -7.648 -7.278 7.330 1.00 34.22 H new ATOM 0 HH21 ARG A 15 -6.596 -9.490 4.863 1.00 62.44 H new ATOM 0 HH22 ARG A 15 -7.913 -8.475 5.459 1.00 62.44 H new ATOM 246 N ILE A 16 0.598 -9.373 6.209 1.00 33.02 N ATOM 247 CA ILE A 16 0.990 -9.951 4.916 1.00 63.00 C ATOM 248 C ILE A 16 -0.092 -10.899 4.364 1.00 13.43 C ATOM 249 O ILE A 16 -0.452 -11.888 5.003 1.00 63.14 O ATOM 250 CB ILE A 16 2.331 -10.722 5.033 1.00 51.41 C ATOM 251 CG1 ILE A 16 3.446 -9.797 5.563 1.00 60.10 C ATOM 252 CG2 ILE A 16 2.731 -11.336 3.689 1.00 71.30 C ATOM 253 CD1 ILE A 16 3.738 -8.605 4.672 1.00 12.13 C ATOM 0 H ILE A 16 0.779 -9.978 7.010 1.00 33.02 H new ATOM 0 HA ILE A 16 1.111 -9.118 4.224 1.00 63.00 H new ATOM 0 HB ILE A 16 2.191 -11.535 5.746 1.00 51.41 H new ATOM 0 HG12 ILE A 16 3.165 -9.437 6.553 1.00 60.10 H new ATOM 0 HG13 ILE A 16 4.360 -10.379 5.684 1.00 60.10 H new ATOM 0 HG21 ILE A 16 3.674 -11.871 3.800 1.00 71.30 H new ATOM 0 HG22 ILE A 16 1.957 -12.030 3.361 1.00 71.30 H new ATOM 0 HG23 ILE A 16 2.847 -10.545 2.948 1.00 71.30 H new ATOM 0 HD11 ILE A 16 4.533 -8.006 5.115 1.00 12.13 H new ATOM 0 HD12 ILE A 16 4.052 -8.954 3.688 1.00 12.13 H new ATOM 0 HD13 ILE A 16 2.839 -7.997 4.571 1.00 12.13 H new ATOM 265 N GLU A 17 -0.597 -10.590 3.172 1.00 42.12 N ATOM 266 CA GLU A 17 -1.635 -11.405 2.518 1.00 35.31 C ATOM 267 C GLU A 17 -1.050 -12.263 1.382 1.00 65.11 C ATOM 268 O GLU A 17 0.114 -12.116 1.008 1.00 53.44 O ATOM 269 CB GLU A 17 -2.738 -10.498 1.946 1.00 72.33 C ATOM 270 CG GLU A 17 -3.467 -9.656 2.989 1.00 75.24 C ATOM 271 CD GLU A 17 -4.355 -10.478 3.911 1.00 64.44 C ATOM 272 OE1 GLU A 17 -3.849 -11.002 4.922 1.00 12.31 O ATOM 273 OE2 GLU A 17 -5.570 -10.589 3.635 1.00 41.20 O ATOM 0 H GLU A 17 -0.306 -9.776 2.631 1.00 42.12 H new ATOM 0 HA GLU A 17 -2.053 -12.070 3.274 1.00 35.31 H new ATOM 0 HB2 GLU A 17 -2.296 -9.833 1.204 1.00 72.33 H new ATOM 0 HB3 GLU A 17 -3.467 -11.118 1.424 1.00 72.33 H new ATOM 0 HG2 GLU A 17 -2.733 -9.117 3.588 1.00 75.24 H new ATOM 0 HG3 GLU A 17 -4.076 -8.908 2.481 1.00 75.24 H new ATOM 280 N LYS A 18 -1.875 -13.153 0.826 1.00 15.42 N ATOM 281 CA LYS A 18 -1.469 -13.974 -0.325 1.00 15.23 C ATOM 282 C LYS A 18 -1.504 -13.163 -1.632 1.00 55.21 C ATOM 283 O LYS A 18 -0.869 -13.523 -2.621 1.00 62.20 O ATOM 284 CB LYS A 18 -2.386 -15.201 -0.454 1.00 21.20 C ATOM 285 CG LYS A 18 -2.377 -16.115 0.770 1.00 64.34 C ATOM 286 CD LYS A 18 -3.260 -17.346 0.568 1.00 62.01 C ATOM 287 CE LYS A 18 -4.723 -16.972 0.347 1.00 63.42 C ATOM 288 NZ LYS A 18 -5.558 -18.163 0.047 1.00 43.11 N ATOM 0 H LYS A 18 -2.826 -13.326 1.151 1.00 15.42 H new ATOM 0 HA LYS A 18 -0.444 -14.303 -0.152 1.00 15.23 H new ATOM 0 HB2 LYS A 18 -3.406 -14.862 -0.634 1.00 21.20 H new ATOM 0 HB3 LYS A 18 -2.083 -15.778 -1.328 1.00 21.20 H new ATOM 0 HG2 LYS A 18 -1.355 -16.431 0.979 1.00 64.34 H new ATOM 0 HG3 LYS A 18 -2.723 -15.559 1.641 1.00 64.34 H new ATOM 0 HD2 LYS A 18 -2.898 -17.915 -0.289 1.00 62.01 H new ATOM 0 HD3 LYS A 18 -3.180 -17.996 1.439 1.00 62.01 H new ATOM 0 HE2 LYS A 18 -5.109 -16.472 1.236 1.00 63.42 H new ATOM 0 HE3 LYS A 18 -4.796 -16.261 -0.476 1.00 63.42 H new ATOM 0 HZ1 LYS A 18 -6.545 -17.868 -0.097 1.00 43.11 H new ATOM 0 HZ2 LYS A 18 -5.206 -18.626 -0.815 1.00 43.11 H new ATOM 0 HZ3 LYS A 18 -5.509 -18.831 0.843 1.00 43.11 H new ATOM 302 N TYR A 19 -2.257 -12.063 -1.623 1.00 61.12 N ATOM 303 CA TYR A 19 -2.425 -11.212 -2.811 1.00 63.31 C ATOM 304 C TYR A 19 -1.752 -9.837 -2.638 1.00 23.02 C ATOM 305 O TYR A 19 -1.946 -8.934 -3.453 1.00 64.33 O ATOM 306 CB TYR A 19 -3.923 -11.038 -3.116 1.00 74.43 C ATOM 307 CG TYR A 19 -4.753 -10.604 -1.916 1.00 73.43 C ATOM 308 CD1 TYR A 19 -5.269 -11.544 -1.027 1.00 22.13 C ATOM 309 CD2 TYR A 19 -5.024 -9.260 -1.673 1.00 75.15 C ATOM 310 CE1 TYR A 19 -6.023 -11.158 0.064 1.00 65.40 C ATOM 311 CE2 TYR A 19 -5.780 -8.869 -0.582 1.00 53.01 C ATOM 312 CZ TYR A 19 -6.276 -9.821 0.283 1.00 41.51 C ATOM 313 OH TYR A 19 -7.024 -9.437 1.375 1.00 25.34 O ATOM 0 H TYR A 19 -2.765 -11.735 -0.802 1.00 61.12 H new ATOM 0 HA TYR A 19 -1.935 -11.708 -3.649 1.00 63.31 H new ATOM 0 HB2 TYR A 19 -4.038 -10.301 -3.910 1.00 74.43 H new ATOM 0 HB3 TYR A 19 -4.318 -11.980 -3.496 1.00 74.43 H new ATOM 0 HD1 TYR A 19 -5.076 -12.593 -1.194 1.00 22.13 H new ATOM 0 HD2 TYR A 19 -4.638 -8.510 -2.347 1.00 75.15 H new ATOM 0 HE1 TYR A 19 -6.413 -11.902 0.743 1.00 65.40 H new ATOM 0 HE2 TYR A 19 -5.981 -7.822 -0.409 1.00 53.01 H new ATOM 0 HH TYR A 19 -6.759 -8.535 1.653 1.00 25.34 H new ATOM 323 N GLY A 20 -0.953 -9.690 -1.583 1.00 75.34 N ATOM 324 CA GLY A 20 -0.279 -8.422 -1.316 1.00 30.43 C ATOM 325 C GLY A 20 -0.158 -8.117 0.173 1.00 40.32 C ATOM 326 O GLY A 20 -0.138 -9.028 0.997 1.00 54.24 O ATOM 0 H GLY A 20 -0.758 -10.426 -0.905 1.00 75.34 H new ATOM 0 HA2 GLY A 20 0.717 -8.445 -1.759 1.00 30.43 H new ATOM 0 HA3 GLY A 20 -0.826 -7.615 -1.804 1.00 30.43 H new ATOM 330 N ALA A 21 -0.063 -6.840 0.522 1.00 32.43 N ATOM 331 CA ALA A 21 -0.006 -6.419 1.927 1.00 62.10 C ATOM 332 C ALA A 21 -0.801 -5.125 2.151 1.00 73.14 C ATOM 333 O ALA A 21 -0.731 -4.197 1.346 1.00 43.53 O ATOM 334 CB ALA A 21 1.445 -6.230 2.358 1.00 13.24 C ATOM 0 H ALA A 21 -0.023 -6.071 -0.147 1.00 32.43 H new ATOM 0 HA ALA A 21 -0.460 -7.201 2.535 1.00 62.10 H new ATOM 0 HB1 ALA A 21 1.477 -5.918 3.402 1.00 13.24 H new ATOM 0 HB2 ALA A 21 1.984 -7.171 2.244 1.00 13.24 H new ATOM 0 HB3 ALA A 21 1.913 -5.466 1.736 1.00 13.24 H new ATOM 340 N PHE A 22 -1.562 -5.066 3.244 1.00 34.30 N ATOM 341 CA PHE A 22 -2.330 -3.861 3.586 1.00 24.32 C ATOM 342 C PHE A 22 -1.449 -2.818 4.287 1.00 53.13 C ATOM 343 O PHE A 22 -0.780 -3.116 5.280 1.00 31.13 O ATOM 344 CB PHE A 22 -3.535 -4.216 4.471 1.00 40.23 C ATOM 345 CG PHE A 22 -4.642 -4.931 3.732 1.00 61.43 C ATOM 346 CD1 PHE A 22 -5.579 -4.213 3.002 1.00 64.31 C ATOM 347 CD2 PHE A 22 -4.744 -6.314 3.765 1.00 54.24 C ATOM 348 CE1 PHE A 22 -6.595 -4.860 2.326 1.00 45.02 C ATOM 349 CE2 PHE A 22 -5.760 -6.963 3.090 1.00 1.33 C ATOM 350 CZ PHE A 22 -6.686 -6.236 2.369 1.00 34.23 C ATOM 0 H PHE A 22 -1.665 -5.834 3.908 1.00 34.30 H new ATOM 0 HA PHE A 22 -2.694 -3.428 2.654 1.00 24.32 H new ATOM 0 HB2 PHE A 22 -3.197 -4.843 5.296 1.00 40.23 H new ATOM 0 HB3 PHE A 22 -3.935 -3.301 4.909 1.00 40.23 H new ATOM 0 HD1 PHE A 22 -5.513 -3.136 2.962 1.00 64.31 H new ATOM 0 HD2 PHE A 22 -4.021 -6.890 4.324 1.00 54.24 H new ATOM 0 HE1 PHE A 22 -7.318 -4.289 1.764 1.00 45.02 H new ATOM 0 HE2 PHE A 22 -5.830 -8.040 3.126 1.00 1.33 H new ATOM 0 HZ PHE A 22 -7.479 -6.743 1.840 1.00 34.23 H new ATOM 360 N ILE A 23 -1.463 -1.593 3.774 1.00 10.45 N ATOM 361 CA ILE A 23 -0.635 -0.510 4.315 1.00 4.31 C ATOM 362 C ILE A 23 -1.493 0.671 4.797 1.00 1.32 C ATOM 363 O ILE A 23 -2.410 1.109 4.100 1.00 54.34 O ATOM 364 CB ILE A 23 0.378 -0.005 3.254 1.00 73.44 C ATOM 365 CG1 ILE A 23 1.355 -1.128 2.866 1.00 64.44 C ATOM 366 CG2 ILE A 23 1.139 1.217 3.765 1.00 62.41 C ATOM 367 CD1 ILE A 23 2.380 -0.716 1.829 1.00 22.32 C ATOM 0 H ILE A 23 -2.041 -1.319 2.979 1.00 10.45 H new ATOM 0 HA ILE A 23 -0.093 -0.920 5.167 1.00 4.31 H new ATOM 0 HB ILE A 23 -0.179 0.291 2.365 1.00 73.44 H new ATOM 0 HG12 ILE A 23 1.875 -1.470 3.761 1.00 64.44 H new ATOM 0 HG13 ILE A 23 0.786 -1.976 2.484 1.00 64.44 H new ATOM 0 HG21 ILE A 23 1.843 1.552 3.003 1.00 62.41 H new ATOM 0 HG22 ILE A 23 0.434 2.019 3.985 1.00 62.41 H new ATOM 0 HG23 ILE A 23 1.684 0.953 4.672 1.00 62.41 H new ATOM 0 HD11 ILE A 23 3.033 -1.560 1.607 1.00 22.32 H new ATOM 0 HD12 ILE A 23 1.870 -0.402 0.918 1.00 22.32 H new ATOM 0 HD13 ILE A 23 2.976 0.111 2.215 1.00 22.32 H new ATOM 379 N ASN A 24 -1.192 1.176 5.994 1.00 3.23 N ATOM 380 CA ASN A 24 -1.855 2.376 6.520 1.00 14.25 C ATOM 381 C ASN A 24 -1.015 3.629 6.235 1.00 34.13 C ATOM 382 O ASN A 24 0.117 3.747 6.707 1.00 13.42 O ATOM 383 CB ASN A 24 -2.091 2.264 8.036 1.00 1.11 C ATOM 384 CG ASN A 24 -3.029 1.134 8.416 1.00 22.02 C ATOM 385 OD1 ASN A 24 -3.878 0.717 7.636 1.00 15.35 O ATOM 386 ND2 ASN A 24 -2.903 0.642 9.632 1.00 64.21 N ATOM 0 H ASN A 24 -0.494 0.775 6.620 1.00 3.23 H new ATOM 0 HA ASN A 24 -2.818 2.460 6.017 1.00 14.25 H new ATOM 0 HB2 ASN A 24 -1.134 2.116 8.536 1.00 1.11 H new ATOM 0 HB3 ASN A 24 -2.500 3.205 8.403 1.00 1.11 H new ATOM 0 HD21 ASN A 24 -3.521 -0.106 9.946 1.00 64.21 H new ATOM 0 HD22 ASN A 24 -2.187 1.009 10.259 1.00 64.21 H new ATOM 393 N LEU A 25 -1.563 4.552 5.448 1.00 41.34 N ATOM 394 CA LEU A 25 -0.914 5.850 5.213 1.00 42.44 C ATOM 395 C LEU A 25 -1.239 6.815 6.360 1.00 53.54 C ATOM 396 O LEU A 25 -0.462 7.711 6.692 1.00 50.53 O ATOM 397 CB LEU A 25 -1.383 6.452 3.881 1.00 60.41 C ATOM 398 CG LEU A 25 -1.152 5.579 2.638 1.00 53.20 C ATOM 399 CD1 LEU A 25 -1.656 6.288 1.383 1.00 34.14 C ATOM 400 CD2 LEU A 25 0.326 5.212 2.499 1.00 33.33 C ATOM 0 H LEU A 25 -2.451 4.431 4.962 1.00 41.34 H new ATOM 0 HA LEU A 25 0.164 5.694 5.168 1.00 42.44 H new ATOM 0 HB2 LEU A 25 -2.448 6.670 3.957 1.00 60.41 H new ATOM 0 HB3 LEU A 25 -0.873 7.404 3.734 1.00 60.41 H new ATOM 0 HG LEU A 25 -1.718 4.656 2.759 1.00 53.20 H new ATOM 0 HD11 LEU A 25 -1.484 5.654 0.513 1.00 34.14 H new ATOM 0 HD12 LEU A 25 -2.723 6.487 1.481 1.00 34.14 H new ATOM 0 HD13 LEU A 25 -1.121 7.230 1.258 1.00 34.14 H new ATOM 0 HD21 LEU A 25 0.466 4.594 1.612 1.00 33.33 H new ATOM 0 HD22 LEU A 25 0.919 6.121 2.404 1.00 33.33 H new ATOM 0 HD23 LEU A 25 0.648 4.659 3.381 1.00 33.33 H new ATOM 412 N ASN A 26 -2.407 6.612 6.956 1.00 3.31 N ATOM 413 CA ASN A 26 -2.882 7.425 8.075 1.00 41.10 C ATOM 414 C ASN A 26 -3.883 6.614 8.911 1.00 73.53 C ATOM 415 O ASN A 26 -4.405 5.602 8.438 1.00 1.31 O ATOM 416 CB ASN A 26 -3.543 8.709 7.546 1.00 20.34 C ATOM 417 CG ASN A 26 -3.919 9.676 8.654 1.00 11.41 C ATOM 418 OD1 ASN A 26 -3.251 9.754 9.677 1.00 71.35 O ATOM 419 ND2 ASN A 26 -4.992 10.415 8.471 1.00 20.34 N ATOM 0 H ASN A 26 -3.056 5.876 6.678 1.00 3.31 H new ATOM 0 HA ASN A 26 -2.037 7.703 8.705 1.00 41.10 H new ATOM 0 HB2 ASN A 26 -2.862 9.204 6.853 1.00 20.34 H new ATOM 0 HB3 ASN A 26 -4.437 8.446 6.981 1.00 20.34 H new ATOM 0 HD21 ASN A 26 -5.286 11.074 9.192 1.00 20.34 H new ATOM 0 HD22 ASN A 26 -5.529 10.329 7.608 1.00 20.34 H new ATOM 426 N GLU A 27 -4.157 7.055 10.137 1.00 0.15 N ATOM 427 CA GLU A 27 -5.121 6.374 11.016 1.00 32.22 C ATOM 428 C GLU A 27 -6.427 6.015 10.276 1.00 21.35 C ATOM 429 O GLU A 27 -6.918 4.890 10.368 1.00 22.51 O ATOM 430 CB GLU A 27 -5.438 7.261 12.231 1.00 2.42 C ATOM 431 CG GLU A 27 -6.439 6.642 13.198 1.00 3.34 C ATOM 432 CD GLU A 27 -6.781 7.561 14.360 1.00 63.44 C ATOM 433 OE1 GLU A 27 -6.094 7.500 15.398 1.00 44.35 O ATOM 434 OE2 GLU A 27 -7.747 8.344 14.241 1.00 63.32 O ATOM 0 H GLU A 27 -3.727 7.882 10.550 1.00 0.15 H new ATOM 0 HA GLU A 27 -4.662 5.442 11.347 1.00 32.22 H new ATOM 0 HB2 GLU A 27 -4.512 7.472 12.766 1.00 2.42 H new ATOM 0 HB3 GLU A 27 -5.829 8.216 11.880 1.00 2.42 H new ATOM 0 HG2 GLU A 27 -7.352 6.392 12.658 1.00 3.34 H new ATOM 0 HG3 GLU A 27 -6.032 5.708 13.587 1.00 3.34 H new ATOM 441 N GLN A 28 -6.974 6.975 9.534 1.00 65.13 N ATOM 442 CA GLN A 28 -8.239 6.777 8.808 1.00 23.24 C ATOM 443 C GLN A 28 -8.022 6.334 7.345 1.00 4.43 C ATOM 444 O GLN A 28 -8.986 6.150 6.602 1.00 52.33 O ATOM 445 CB GLN A 28 -9.060 8.075 8.836 1.00 51.32 C ATOM 446 CG GLN A 28 -9.491 8.515 10.236 1.00 72.33 C ATOM 447 CD GLN A 28 -10.483 7.558 10.880 1.00 52.10 C ATOM 448 OE1 GLN A 28 -9.988 6.591 11.625 1.00 20.20 O flip ATOM 449 NE2 GLN A 28 -11.692 7.693 10.714 1.00 65.32 N flip ATOM 0 H GLN A 28 -6.565 7.902 9.416 1.00 65.13 H new ATOM 0 HA GLN A 28 -8.778 5.975 9.313 1.00 23.24 H new ATOM 0 HB2 GLN A 28 -8.473 8.873 8.381 1.00 51.32 H new ATOM 0 HB3 GLN A 28 -9.949 7.943 8.219 1.00 51.32 H new ATOM 0 HG2 GLN A 28 -8.610 8.599 10.872 1.00 72.33 H new ATOM 0 HG3 GLN A 28 -9.937 9.508 10.178 1.00 72.33 H new ATOM 0 HE21 GLN A 28 -12.045 8.452 10.131 1.00 65.32 H new ATOM 0 HE22 GLN A 28 -12.343 7.046 11.159 1.00 65.32 H new ATOM 458 N VAL A 29 -6.765 6.143 6.937 1.00 2.33 N ATOM 459 CA VAL A 29 -6.447 5.832 5.531 1.00 14.22 C ATOM 460 C VAL A 29 -5.664 4.514 5.385 1.00 2.00 C ATOM 461 O VAL A 29 -4.499 4.421 5.781 1.00 11.35 O ATOM 462 CB VAL A 29 -5.631 6.973 4.872 1.00 14.15 C ATOM 463 CG1 VAL A 29 -5.309 6.643 3.415 1.00 15.42 C ATOM 464 CG2 VAL A 29 -6.374 8.306 4.975 1.00 14.30 C ATOM 0 H VAL A 29 -5.952 6.197 7.551 1.00 2.33 H new ATOM 0 HA VAL A 29 -7.406 5.725 5.024 1.00 14.22 H new ATOM 0 HB VAL A 29 -4.690 7.068 5.413 1.00 14.15 H new ATOM 0 HG11 VAL A 29 -4.736 7.459 2.975 1.00 15.42 H new ATOM 0 HG12 VAL A 29 -4.724 5.724 3.371 1.00 15.42 H new ATOM 0 HG13 VAL A 29 -6.237 6.510 2.858 1.00 15.42 H new ATOM 0 HG21 VAL A 29 -5.781 9.091 4.505 1.00 14.30 H new ATOM 0 HG22 VAL A 29 -7.336 8.226 4.469 1.00 14.30 H new ATOM 0 HG23 VAL A 29 -6.536 8.552 6.024 1.00 14.30 H new ATOM 474 N ARG A 30 -6.307 3.511 4.783 1.00 10.33 N ATOM 475 CA ARG A 30 -5.688 2.198 4.555 1.00 65.00 C ATOM 476 C ARG A 30 -5.835 1.757 3.085 1.00 31.42 C ATOM 477 O ARG A 30 -6.812 2.101 2.420 1.00 54.30 O ATOM 478 CB ARG A 30 -6.327 1.151 5.482 1.00 45.24 C ATOM 479 CG ARG A 30 -5.755 -0.256 5.327 1.00 42.03 C ATOM 480 CD ARG A 30 -6.424 -1.248 6.275 1.00 23.54 C ATOM 481 NE ARG A 30 -6.248 -0.875 7.680 1.00 52.42 N ATOM 482 CZ ARG A 30 -6.672 -1.585 8.691 1.00 45.40 C ATOM 483 NH1 ARG A 30 -7.309 -2.694 8.499 1.00 60.25 N ATOM 484 NH2 ARG A 30 -6.475 -1.168 9.896 1.00 61.33 N ATOM 0 H ARG A 30 -7.265 3.582 4.441 1.00 10.33 H new ATOM 0 HA ARG A 30 -4.624 2.282 4.778 1.00 65.00 H new ATOM 0 HB2 ARG A 30 -6.198 1.471 6.516 1.00 45.24 H new ATOM 0 HB3 ARG A 30 -7.399 1.118 5.289 1.00 45.24 H new ATOM 0 HG2 ARG A 30 -5.887 -0.591 4.298 1.00 42.03 H new ATOM 0 HG3 ARG A 30 -4.682 -0.236 5.520 1.00 42.03 H new ATOM 0 HD2 ARG A 30 -7.488 -1.305 6.047 1.00 23.54 H new ATOM 0 HD3 ARG A 30 -6.009 -2.242 6.110 1.00 23.54 H new ATOM 0 HE ARG A 30 -5.761 -0.002 7.883 1.00 52.42 H new ATOM 0 HH11 ARG A 30 -7.485 -3.023 7.550 1.00 60.25 H new ATOM 0 HH12 ARG A 30 -7.635 -3.240 9.297 1.00 60.25 H new ATOM 0 HH21 ARG A 30 -5.989 -0.286 10.057 1.00 61.33 H new ATOM 0 HH22 ARG A 30 -6.805 -1.721 10.687 1.00 61.33 H new ATOM 498 N GLY A 31 -4.861 0.994 2.586 1.00 11.41 N ATOM 499 CA GLY A 31 -4.919 0.491 1.213 1.00 72.25 C ATOM 500 C GLY A 31 -4.196 -0.843 1.027 1.00 3.22 C ATOM 501 O GLY A 31 -3.783 -1.476 2.001 1.00 13.22 O ATOM 0 H GLY A 31 -4.030 0.713 3.106 1.00 11.41 H new ATOM 0 HA2 GLY A 31 -5.962 0.375 0.920 1.00 72.25 H new ATOM 0 HA3 GLY A 31 -4.480 1.231 0.543 1.00 72.25 H new ATOM 505 N LEU A 32 -4.027 -1.262 -0.228 1.00 40.30 N ATOM 506 CA LEU A 32 -3.421 -2.563 -0.548 1.00 13.44 C ATOM 507 C LEU A 32 -2.250 -2.425 -1.539 1.00 12.13 C ATOM 508 O LEU A 32 -2.356 -1.735 -2.555 1.00 64.44 O ATOM 509 CB LEU A 32 -4.489 -3.500 -1.135 1.00 34.51 C ATOM 510 CG LEU A 32 -3.995 -4.900 -1.545 1.00 5.13 C ATOM 511 CD1 LEU A 32 -3.520 -5.693 -0.328 1.00 64.33 C ATOM 512 CD2 LEU A 32 -5.089 -5.657 -2.295 1.00 71.12 C ATOM 0 H LEU A 32 -4.302 -0.718 -1.046 1.00 40.30 H new ATOM 0 HA LEU A 32 -3.024 -2.981 0.377 1.00 13.44 H new ATOM 0 HB2 LEU A 32 -5.287 -3.617 -0.402 1.00 34.51 H new ATOM 0 HB3 LEU A 32 -4.928 -3.019 -2.009 1.00 34.51 H new ATOM 0 HG LEU A 32 -3.144 -4.776 -2.215 1.00 5.13 H new ATOM 0 HD11 LEU A 32 -3.177 -6.677 -0.646 1.00 64.33 H new ATOM 0 HD12 LEU A 32 -2.700 -5.162 0.155 1.00 64.33 H new ATOM 0 HD13 LEU A 32 -4.344 -5.806 0.377 1.00 64.33 H new ATOM 0 HD21 LEU A 32 -4.721 -6.644 -2.576 1.00 71.12 H new ATOM 0 HD22 LEU A 32 -5.963 -5.765 -1.652 1.00 71.12 H new ATOM 0 HD23 LEU A 32 -5.365 -5.103 -3.192 1.00 71.12 H new ATOM 524 N LEU A 33 -1.140 -3.094 -1.236 1.00 24.23 N ATOM 525 CA LEU A 33 0.045 -3.105 -2.108 1.00 4.11 C ATOM 526 C LEU A 33 0.288 -4.516 -2.680 1.00 61.23 C ATOM 527 O LEU A 33 0.374 -5.488 -1.931 1.00 14.52 O ATOM 528 CB LEU A 33 1.270 -2.631 -1.311 1.00 64.41 C ATOM 529 CG LEU A 33 2.602 -2.583 -2.080 1.00 13.44 C ATOM 530 CD1 LEU A 33 2.498 -1.682 -3.310 1.00 71.00 C ATOM 531 CD2 LEU A 33 3.729 -2.114 -1.160 1.00 32.22 C ATOM 0 H LEU A 33 -1.031 -3.644 -0.384 1.00 24.23 H new ATOM 0 HA LEU A 33 -0.124 -2.428 -2.945 1.00 4.11 H new ATOM 0 HB2 LEU A 33 1.062 -1.634 -0.923 1.00 64.41 H new ATOM 0 HB3 LEU A 33 1.394 -3.288 -0.450 1.00 64.41 H new ATOM 0 HG LEU A 33 2.831 -3.591 -2.426 1.00 13.44 H new ATOM 0 HD11 LEU A 33 3.454 -1.668 -3.833 1.00 71.00 H new ATOM 0 HD12 LEU A 33 1.725 -2.065 -3.977 1.00 71.00 H new ATOM 0 HD13 LEU A 33 2.240 -0.670 -2.999 1.00 71.00 H new ATOM 0 HD21 LEU A 33 4.665 -2.085 -1.717 1.00 32.22 H new ATOM 0 HD22 LEU A 33 3.500 -1.117 -0.783 1.00 32.22 H new ATOM 0 HD23 LEU A 33 3.827 -2.805 -0.323 1.00 32.22 H new ATOM 543 N ARG A 34 0.400 -4.625 -4.007 1.00 51.32 N ATOM 544 CA ARG A 34 0.520 -5.933 -4.676 1.00 1.43 C ATOM 545 C ARG A 34 1.955 -6.203 -5.174 1.00 14.51 C ATOM 546 O ARG A 34 2.671 -5.278 -5.552 1.00 74.21 O ATOM 547 CB ARG A 34 -0.458 -5.997 -5.857 1.00 51.13 C ATOM 548 CG ARG A 34 -1.891 -5.640 -5.477 1.00 65.21 C ATOM 549 CD ARG A 34 -2.818 -5.615 -6.688 1.00 45.05 C ATOM 550 NE ARG A 34 -4.102 -4.993 -6.373 1.00 62.12 N ATOM 551 CZ ARG A 34 -5.222 -5.640 -6.222 1.00 24.44 C ATOM 552 NH1 ARG A 34 -5.270 -6.926 -6.361 1.00 22.34 N ATOM 553 NH2 ARG A 34 -6.299 -4.988 -5.934 1.00 73.21 N ATOM 0 H ARG A 34 0.411 -3.827 -4.642 1.00 51.32 H new ATOM 0 HA ARG A 34 0.277 -6.703 -3.943 1.00 1.43 H new ATOM 0 HB2 ARG A 34 -0.117 -5.318 -6.638 1.00 51.13 H new ATOM 0 HB3 ARG A 34 -0.441 -7.002 -6.279 1.00 51.13 H new ATOM 0 HG2 ARG A 34 -2.264 -6.363 -4.751 1.00 65.21 H new ATOM 0 HG3 ARG A 34 -1.904 -4.664 -4.991 1.00 65.21 H new ATOM 0 HD2 ARG A 34 -2.339 -5.070 -7.501 1.00 45.05 H new ATOM 0 HD3 ARG A 34 -2.984 -6.633 -7.041 1.00 45.05 H new ATOM 0 HE ARG A 34 -4.123 -3.979 -6.263 1.00 62.12 H new ATOM 0 HH11 ARG A 34 -4.423 -7.446 -6.592 1.00 22.34 H new ATOM 0 HH12 ARG A 34 -6.154 -7.419 -6.240 1.00 22.34 H new ATOM 0 HH21 ARG A 34 -6.268 -3.974 -5.827 1.00 73.21 H new ATOM 0 HH22 ARG A 34 -7.181 -5.487 -5.814 1.00 73.21 H new ATOM 567 N PRO A 35 2.382 -7.487 -5.209 1.00 53.22 N ATOM 568 CA PRO A 35 3.751 -7.865 -5.621 1.00 23.41 C ATOM 569 C PRO A 35 4.096 -7.451 -7.065 1.00 14.10 C ATOM 570 O PRO A 35 5.254 -7.174 -7.378 1.00 52.01 O ATOM 571 CB PRO A 35 3.766 -9.397 -5.474 1.00 41.51 C ATOM 572 CG PRO A 35 2.328 -9.802 -5.485 1.00 31.43 C ATOM 573 CD PRO A 35 1.577 -8.669 -4.843 1.00 31.24 C ATOM 0 HA PRO A 35 4.499 -7.356 -5.013 1.00 23.41 H new ATOM 0 HB2 PRO A 35 4.314 -9.866 -6.291 1.00 41.51 H new ATOM 0 HB3 PRO A 35 4.254 -9.700 -4.547 1.00 41.51 H new ATOM 0 HG2 PRO A 35 1.979 -9.975 -6.503 1.00 31.43 H new ATOM 0 HG3 PRO A 35 2.179 -10.731 -4.934 1.00 31.43 H new ATOM 0 HD2 PRO A 35 0.557 -8.595 -5.221 1.00 31.24 H new ATOM 0 HD3 PRO A 35 1.508 -8.792 -3.762 1.00 31.24 H new ATOM 581 N ARG A 36 3.090 -7.403 -7.938 1.00 53.40 N ATOM 582 CA ARG A 36 3.292 -6.994 -9.338 1.00 73.41 C ATOM 583 C ARG A 36 3.643 -5.498 -9.448 1.00 34.13 C ATOM 584 O ARG A 36 4.190 -5.047 -10.456 1.00 63.32 O ATOM 585 CB ARG A 36 2.031 -7.295 -10.165 1.00 1.21 C ATOM 586 CG ARG A 36 1.681 -8.781 -10.239 1.00 21.55 C ATOM 587 CD ARG A 36 0.385 -9.020 -11.008 1.00 61.42 C ATOM 588 NE ARG A 36 0.033 -10.440 -11.067 1.00 71.43 N ATOM 589 CZ ARG A 36 -1.149 -10.917 -10.776 1.00 33.14 C ATOM 590 NH1 ARG A 36 -2.110 -10.123 -10.416 1.00 10.44 N ATOM 591 NH2 ARG A 36 -1.371 -12.190 -10.853 1.00 21.23 N ATOM 0 H ARG A 36 2.126 -7.641 -7.706 1.00 53.40 H new ATOM 0 HA ARG A 36 4.132 -7.567 -9.731 1.00 73.41 H new ATOM 0 HB2 ARG A 36 1.188 -6.754 -9.735 1.00 1.21 H new ATOM 0 HB3 ARG A 36 2.172 -6.914 -11.176 1.00 1.21 H new ATOM 0 HG2 ARG A 36 2.495 -9.323 -10.721 1.00 21.55 H new ATOM 0 HG3 ARG A 36 1.584 -9.182 -9.230 1.00 21.55 H new ATOM 0 HD2 ARG A 36 -0.425 -8.466 -10.534 1.00 61.42 H new ATOM 0 HD3 ARG A 36 0.488 -8.630 -12.021 1.00 61.42 H new ATOM 0 HE ARG A 36 0.756 -11.099 -11.354 1.00 71.43 H new ATOM 0 HH11 ARG A 36 -1.946 -9.118 -10.358 1.00 10.44 H new ATOM 0 HH12 ARG A 36 -3.029 -10.504 -10.191 1.00 10.44 H new ATOM 0 HH21 ARG A 36 -0.624 -12.822 -11.141 1.00 21.23 H new ATOM 0 HH22 ARG A 36 -2.293 -12.561 -10.626 1.00 21.23 H new ATOM 605 N ASP A 37 3.323 -4.735 -8.406 1.00 15.41 N ATOM 606 CA ASP A 37 3.611 -3.296 -8.365 1.00 0.22 C ATOM 607 C ASP A 37 4.875 -3.003 -7.538 1.00 4.10 C ATOM 608 O ASP A 37 5.214 -1.845 -7.276 1.00 54.05 O ATOM 609 CB ASP A 37 2.409 -2.554 -7.776 1.00 64.52 C ATOM 610 CG ASP A 37 1.134 -2.843 -8.546 1.00 72.23 C ATOM 611 OD1 ASP A 37 0.493 -3.881 -8.276 1.00 42.11 O ATOM 612 OD2 ASP A 37 0.773 -2.044 -9.436 1.00 52.45 O ATOM 0 H ASP A 37 2.860 -5.090 -7.569 1.00 15.41 H new ATOM 0 HA ASP A 37 3.793 -2.949 -9.382 1.00 0.22 H new ATOM 0 HB2 ASP A 37 2.278 -2.845 -6.734 1.00 64.52 H new ATOM 0 HB3 ASP A 37 2.604 -1.482 -7.785 1.00 64.52 H new ATOM 617 N MET A 38 5.574 -4.064 -7.136 1.00 24.01 N ATOM 618 CA MET A 38 6.783 -3.945 -6.316 1.00 34.24 C ATOM 619 C MET A 38 8.054 -4.063 -7.168 1.00 53.11 C ATOM 620 O MET A 38 8.281 -5.077 -7.829 1.00 31.22 O ATOM 621 CB MET A 38 6.775 -5.020 -5.227 1.00 53.24 C ATOM 622 CG MET A 38 5.588 -4.909 -4.283 1.00 75.12 C ATOM 623 SD MET A 38 5.561 -3.346 -3.388 1.00 41.12 S ATOM 624 CE MET A 38 6.955 -3.555 -2.284 1.00 74.12 C ATOM 0 H MET A 38 5.322 -5.025 -7.367 1.00 24.01 H new ATOM 0 HA MET A 38 6.785 -2.958 -5.854 1.00 34.24 H new ATOM 0 HB2 MET A 38 6.766 -6.004 -5.697 1.00 53.24 H new ATOM 0 HB3 MET A 38 7.697 -4.950 -4.650 1.00 53.24 H new ATOM 0 HG2 MET A 38 4.664 -5.014 -4.852 1.00 75.12 H new ATOM 0 HG3 MET A 38 5.618 -5.732 -3.569 1.00 75.12 H new ATOM 0 HE1 MET A 38 6.930 -2.782 -1.516 1.00 74.12 H new ATOM 0 HE2 MET A 38 6.902 -4.537 -1.813 1.00 74.12 H new ATOM 0 HE3 MET A 38 7.883 -3.473 -2.850 1.00 74.12 H new ATOM 634 N ILE A 39 8.882 -3.020 -7.144 1.00 71.24 N ATOM 635 CA ILE A 39 10.109 -2.983 -7.949 1.00 65.42 C ATOM 636 C ILE A 39 11.236 -3.834 -7.327 1.00 62.02 C ATOM 637 O ILE A 39 11.746 -4.760 -7.957 1.00 3.43 O ATOM 638 CB ILE A 39 10.608 -1.525 -8.134 1.00 11.31 C ATOM 639 CG1 ILE A 39 9.481 -0.639 -8.695 1.00 24.23 C ATOM 640 CG2 ILE A 39 11.833 -1.477 -9.048 1.00 41.05 C ATOM 641 CD1 ILE A 39 8.941 -1.097 -10.038 1.00 5.25 C ATOM 0 H ILE A 39 8.728 -2.187 -6.576 1.00 71.24 H new ATOM 0 HA ILE A 39 9.857 -3.407 -8.921 1.00 65.42 H new ATOM 0 HB ILE A 39 10.901 -1.140 -7.157 1.00 11.31 H new ATOM 0 HG12 ILE A 39 8.662 -0.613 -7.976 1.00 24.23 H new ATOM 0 HG13 ILE A 39 9.851 0.382 -8.793 1.00 24.23 H new ATOM 0 HG21 ILE A 39 12.162 -0.444 -9.161 1.00 41.05 H new ATOM 0 HG22 ILE A 39 12.637 -2.068 -8.610 1.00 41.05 H new ATOM 0 HG23 ILE A 39 11.574 -1.884 -10.025 1.00 41.05 H new ATOM 0 HD11 ILE A 39 8.151 -0.420 -10.363 1.00 5.25 H new ATOM 0 HD12 ILE A 39 9.746 -1.095 -10.773 1.00 5.25 H new ATOM 0 HD13 ILE A 39 8.538 -2.105 -9.943 1.00 5.25 H new ATOM 653 N SER A 40 11.630 -3.511 -6.093 1.00 3.35 N ATOM 654 CA SER A 40 12.726 -4.233 -5.411 1.00 43.03 C ATOM 655 C SER A 40 12.219 -5.154 -4.290 1.00 62.12 C ATOM 656 O SER A 40 12.676 -6.290 -4.150 1.00 13.53 O ATOM 657 CB SER A 40 13.738 -3.239 -4.824 1.00 24.40 C ATOM 658 OG SER A 40 14.765 -3.906 -4.106 1.00 20.01 O ATOM 0 H SER A 40 11.214 -2.760 -5.542 1.00 3.35 H new ATOM 0 HA SER A 40 13.204 -4.856 -6.167 1.00 43.03 H new ATOM 0 HB2 SER A 40 14.179 -2.649 -5.628 1.00 24.40 H new ATOM 0 HB3 SER A 40 13.223 -2.542 -4.162 1.00 24.40 H new ATOM 0 HG SER A 40 15.394 -3.246 -3.746 1.00 20.01 H new ATOM 664 N LEU A 41 11.278 -4.660 -3.490 1.00 62.32 N ATOM 665 CA LEU A 41 10.798 -5.397 -2.312 1.00 14.52 C ATOM 666 C LEU A 41 9.678 -6.396 -2.652 1.00 63.34 C ATOM 667 O LEU A 41 8.608 -6.015 -3.111 1.00 25.41 O ATOM 668 CB LEU A 41 10.306 -4.409 -1.243 1.00 33.54 C ATOM 669 CG LEU A 41 11.401 -3.561 -0.573 1.00 72.21 C ATOM 670 CD1 LEU A 41 10.792 -2.605 0.454 1.00 71.43 C ATOM 671 CD2 LEU A 41 12.454 -4.458 0.078 1.00 33.30 C ATOM 0 H LEU A 41 10.830 -3.755 -3.631 1.00 62.32 H new ATOM 0 HA LEU A 41 11.640 -5.975 -1.931 1.00 14.52 H new ATOM 0 HB2 LEU A 41 9.579 -3.738 -1.700 1.00 33.54 H new ATOM 0 HB3 LEU A 41 9.780 -4.969 -0.470 1.00 33.54 H new ATOM 0 HG LEU A 41 11.891 -2.964 -1.343 1.00 72.21 H new ATOM 0 HD11 LEU A 41 11.584 -2.015 0.916 1.00 71.43 H new ATOM 0 HD12 LEU A 41 10.086 -1.939 -0.042 1.00 71.43 H new ATOM 0 HD13 LEU A 41 10.272 -3.178 1.221 1.00 71.43 H new ATOM 0 HD21 LEU A 41 13.220 -3.839 0.546 1.00 33.30 H new ATOM 0 HD22 LEU A 41 11.981 -5.085 0.834 1.00 33.30 H new ATOM 0 HD23 LEU A 41 12.913 -5.090 -0.682 1.00 33.30 H new ATOM 683 N ARG A 42 9.937 -7.680 -2.418 1.00 45.14 N ATOM 684 CA ARG A 42 8.904 -8.720 -2.525 1.00 64.11 C ATOM 685 C ARG A 42 8.179 -8.917 -1.184 1.00 22.52 C ATOM 686 O ARG A 42 8.721 -8.585 -0.128 1.00 15.10 O ATOM 687 CB ARG A 42 9.525 -10.054 -2.977 1.00 3.22 C ATOM 688 CG ARG A 42 9.960 -10.085 -4.439 1.00 21.22 C ATOM 689 CD ARG A 42 8.753 -10.037 -5.371 1.00 60.34 C ATOM 690 NE ARG A 42 9.111 -10.269 -6.769 1.00 14.13 N ATOM 691 CZ ARG A 42 8.512 -11.138 -7.543 1.00 65.45 C ATOM 692 NH1 ARG A 42 7.594 -11.921 -7.072 1.00 62.25 N ATOM 693 NH2 ARG A 42 8.843 -11.239 -8.786 1.00 21.54 N ATOM 0 H ARG A 42 10.857 -8.032 -2.151 1.00 45.14 H new ATOM 0 HA ARG A 42 8.179 -8.392 -3.270 1.00 64.11 H new ATOM 0 HB2 ARG A 42 10.390 -10.269 -2.349 1.00 3.22 H new ATOM 0 HB3 ARG A 42 8.802 -10.852 -2.809 1.00 3.22 H new ATOM 0 HG2 ARG A 42 10.616 -9.239 -4.645 1.00 21.22 H new ATOM 0 HG3 ARG A 42 10.536 -10.990 -4.631 1.00 21.22 H new ATOM 0 HD2 ARG A 42 8.026 -10.786 -5.057 1.00 60.34 H new ATOM 0 HD3 ARG A 42 8.268 -9.065 -5.281 1.00 60.34 H new ATOM 0 HE ARG A 42 9.874 -9.720 -7.165 1.00 14.13 H new ATOM 0 HH11 ARG A 42 7.331 -11.864 -6.088 1.00 62.25 H new ATOM 0 HH12 ARG A 42 7.134 -12.594 -7.685 1.00 62.25 H new ATOM 0 HH21 ARG A 42 9.574 -10.640 -9.169 1.00 21.54 H new ATOM 0 HH22 ARG A 42 8.373 -11.918 -9.385 1.00 21.54 H new ATOM 707 N LEU A 43 6.966 -9.477 -1.228 1.00 3.14 N ATOM 708 CA LEU A 43 6.182 -9.741 -0.007 1.00 22.23 C ATOM 709 C LEU A 43 6.978 -10.606 0.979 1.00 3.24 C ATOM 710 O LEU A 43 6.878 -10.446 2.196 1.00 22.11 O ATOM 711 CB LEU A 43 4.863 -10.447 -0.356 1.00 11.31 C ATOM 712 CG LEU A 43 3.933 -9.688 -1.319 1.00 41.11 C ATOM 713 CD1 LEU A 43 2.691 -10.519 -1.632 1.00 63.34 C ATOM 714 CD2 LEU A 43 3.546 -8.327 -0.740 1.00 52.33 C ATOM 0 H LEU A 43 6.502 -9.758 -2.092 1.00 3.14 H new ATOM 0 HA LEU A 43 5.964 -8.781 0.462 1.00 22.23 H new ATOM 0 HB2 LEU A 43 5.097 -11.417 -0.795 1.00 11.31 H new ATOM 0 HB3 LEU A 43 4.319 -10.639 0.569 1.00 11.31 H new ATOM 0 HG LEU A 43 4.472 -9.516 -2.251 1.00 41.11 H new ATOM 0 HD11 LEU A 43 2.046 -9.966 -2.314 1.00 63.34 H new ATOM 0 HD12 LEU A 43 2.990 -11.459 -2.097 1.00 63.34 H new ATOM 0 HD13 LEU A 43 2.150 -10.727 -0.709 1.00 63.34 H new ATOM 0 HD21 LEU A 43 2.889 -7.808 -1.438 1.00 52.33 H new ATOM 0 HD22 LEU A 43 3.029 -8.469 0.209 1.00 52.33 H new ATOM 0 HD23 LEU A 43 4.445 -7.732 -0.578 1.00 52.33 H new ATOM 726 N GLU A 44 7.782 -11.505 0.427 1.00 63.32 N ATOM 727 CA GLU A 44 8.606 -12.426 1.216 1.00 20.24 C ATOM 728 C GLU A 44 9.641 -11.676 2.076 1.00 70.43 C ATOM 729 O GLU A 44 10.165 -12.217 3.049 1.00 24.42 O ATOM 730 CB GLU A 44 9.317 -13.401 0.265 1.00 1.40 C ATOM 731 CG GLU A 44 8.374 -14.047 -0.745 1.00 15.43 C ATOM 732 CD GLU A 44 9.078 -14.986 -1.711 1.00 50.44 C ATOM 733 OE1 GLU A 44 9.788 -14.500 -2.614 1.00 1.13 O ATOM 734 OE2 GLU A 44 8.906 -16.218 -1.584 1.00 31.50 O ATOM 0 H GLU A 44 7.885 -11.620 -0.581 1.00 63.32 H new ATOM 0 HA GLU A 44 7.954 -12.973 1.898 1.00 20.24 H new ATOM 0 HB2 GLU A 44 10.103 -12.869 -0.270 1.00 1.40 H new ATOM 0 HB3 GLU A 44 9.802 -14.182 0.851 1.00 1.40 H new ATOM 0 HG2 GLU A 44 7.603 -14.600 -0.209 1.00 15.43 H new ATOM 0 HG3 GLU A 44 7.870 -13.265 -1.312 1.00 15.43 H new ATOM 741 N ASN A 45 9.925 -10.428 1.708 1.00 0.32 N ATOM 742 CA ASN A 45 10.917 -9.611 2.416 1.00 22.24 C ATOM 743 C ASN A 45 10.247 -8.549 3.307 1.00 43.21 C ATOM 744 O ASN A 45 10.922 -7.845 4.062 1.00 2.05 O ATOM 745 CB ASN A 45 11.850 -8.926 1.408 1.00 32.31 C ATOM 746 CG ASN A 45 12.418 -9.898 0.388 1.00 41.22 C ATOM 747 OD1 ASN A 45 12.606 -11.076 0.668 1.00 65.32 O ATOM 748 ND2 ASN A 45 12.721 -9.406 -0.795 1.00 41.22 N ATOM 0 H ASN A 45 9.481 -9.956 0.920 1.00 0.32 H new ATOM 0 HA ASN A 45 11.494 -10.275 3.059 1.00 22.24 H new ATOM 0 HB2 ASN A 45 11.304 -8.138 0.889 1.00 32.31 H new ATOM 0 HB3 ASN A 45 12.669 -8.446 1.944 1.00 32.31 H new ATOM 0 HD21 ASN A 45 13.125 -10.010 -1.510 1.00 41.22 H new ATOM 0 HD22 ASN A 45 12.552 -8.420 -0.996 1.00 41.22 H new ATOM 755 N LEU A 46 8.922 -8.435 3.219 1.00 4.03 N ATOM 756 CA LEU A 46 8.180 -7.415 3.973 1.00 53.32 C ATOM 757 C LEU A 46 7.813 -7.909 5.383 1.00 30.34 C ATOM 758 O LEU A 46 7.433 -9.066 5.571 1.00 2.14 O ATOM 759 CB LEU A 46 6.904 -7.005 3.220 1.00 41.42 C ATOM 760 CG LEU A 46 7.104 -6.552 1.762 1.00 21.04 C ATOM 761 CD1 LEU A 46 5.799 -6.013 1.178 1.00 50.14 C ATOM 762 CD2 LEU A 46 8.221 -5.515 1.658 1.00 31.34 C ATOM 0 H LEU A 46 8.338 -9.034 2.635 1.00 4.03 H new ATOM 0 HA LEU A 46 8.833 -6.548 4.073 1.00 53.32 H new ATOM 0 HB2 LEU A 46 6.213 -7.848 3.227 1.00 41.42 H new ATOM 0 HB3 LEU A 46 6.424 -6.195 3.770 1.00 41.42 H new ATOM 0 HG LEU A 46 7.402 -7.422 1.176 1.00 21.04 H new ATOM 0 HD11 LEU A 46 5.964 -5.699 0.147 1.00 50.14 H new ATOM 0 HD12 LEU A 46 5.039 -6.794 1.202 1.00 50.14 H new ATOM 0 HD13 LEU A 46 5.461 -5.161 1.767 1.00 50.14 H new ATOM 0 HD21 LEU A 46 8.341 -5.213 0.618 1.00 31.34 H new ATOM 0 HD22 LEU A 46 7.966 -4.644 2.262 1.00 31.34 H new ATOM 0 HD23 LEU A 46 9.154 -5.947 2.020 1.00 31.34 H new ATOM 774 N ASN A 47 7.925 -7.019 6.364 1.00 62.35 N ATOM 775 CA ASN A 47 7.612 -7.342 7.759 1.00 24.42 C ATOM 776 C ASN A 47 6.503 -6.429 8.297 1.00 5.54 C ATOM 777 O ASN A 47 6.393 -5.263 7.903 1.00 64.34 O ATOM 778 CB ASN A 47 8.862 -7.177 8.634 1.00 70.54 C ATOM 779 CG ASN A 47 10.066 -7.920 8.092 1.00 62.44 C ATOM 780 OD1 ASN A 47 10.312 -9.074 8.434 1.00 22.35 O ATOM 781 ND2 ASN A 47 10.834 -7.262 7.253 1.00 43.14 N ATOM 0 H ASN A 47 8.233 -6.057 6.220 1.00 62.35 H new ATOM 0 HA ASN A 47 7.270 -8.376 7.794 1.00 24.42 H new ATOM 0 HB2 ASN A 47 9.103 -6.117 8.717 1.00 70.54 H new ATOM 0 HB3 ASN A 47 8.644 -7.534 9.640 1.00 70.54 H new ATOM 0 HD21 ASN A 47 11.664 -7.709 6.864 1.00 43.14 H new ATOM 0 HD22 ASN A 47 10.600 -6.305 6.991 1.00 43.14 H new ATOM 788 N VAL A 48 5.685 -6.955 9.199 1.00 70.34 N ATOM 789 CA VAL A 48 4.682 -6.139 9.879 1.00 52.11 C ATOM 790 C VAL A 48 5.364 -5.050 10.723 1.00 24.15 C ATOM 791 O VAL A 48 6.041 -5.340 11.713 1.00 62.54 O ATOM 792 CB VAL A 48 3.765 -7.004 10.780 1.00 5.02 C ATOM 793 CG1 VAL A 48 2.782 -6.128 11.560 1.00 50.52 C ATOM 794 CG2 VAL A 48 3.022 -8.047 9.940 1.00 52.33 C ATOM 0 H VAL A 48 5.694 -7.936 9.477 1.00 70.34 H new ATOM 0 HA VAL A 48 4.063 -5.669 9.114 1.00 52.11 H new ATOM 0 HB VAL A 48 4.390 -7.528 11.503 1.00 5.02 H new ATOM 0 HG11 VAL A 48 2.150 -6.759 12.185 1.00 50.52 H new ATOM 0 HG12 VAL A 48 3.336 -5.432 12.190 1.00 50.52 H new ATOM 0 HG13 VAL A 48 2.160 -5.569 10.861 1.00 50.52 H new ATOM 0 HG21 VAL A 48 2.382 -8.647 10.587 1.00 52.33 H new ATOM 0 HG22 VAL A 48 2.411 -7.543 9.191 1.00 52.33 H new ATOM 0 HG23 VAL A 48 3.744 -8.695 9.443 1.00 52.33 H new ATOM 804 N GLY A 49 5.186 -3.794 10.322 1.00 51.13 N ATOM 805 CA GLY A 49 5.849 -2.686 11.006 1.00 34.24 C ATOM 806 C GLY A 49 6.852 -1.937 10.130 1.00 24.44 C ATOM 807 O GLY A 49 7.417 -0.926 10.556 1.00 54.32 O ATOM 0 H GLY A 49 4.596 -3.519 9.537 1.00 51.13 H new ATOM 0 HA2 GLY A 49 5.093 -1.984 11.360 1.00 34.24 H new ATOM 0 HA3 GLY A 49 6.364 -3.070 11.886 1.00 34.24 H new ATOM 811 N ASP A 50 7.103 -2.439 8.917 1.00 21.34 N ATOM 812 CA ASP A 50 7.970 -1.732 7.967 1.00 40.05 C ATOM 813 C ASP A 50 7.278 -0.482 7.401 1.00 30.15 C ATOM 814 O ASP A 50 6.092 -0.506 7.062 1.00 52.43 O ATOM 815 CB ASP A 50 8.404 -2.650 6.814 1.00 1.10 C ATOM 816 CG ASP A 50 9.456 -3.667 7.225 1.00 43.31 C ATOM 817 OD1 ASP A 50 10.251 -3.378 8.142 1.00 61.21 O ATOM 818 OD2 ASP A 50 9.519 -4.746 6.603 1.00 20.45 O ATOM 0 H ASP A 50 6.724 -3.321 8.572 1.00 21.34 H new ATOM 0 HA ASP A 50 8.857 -1.421 8.518 1.00 40.05 H new ATOM 0 HB2 ASP A 50 7.531 -3.175 6.428 1.00 1.10 H new ATOM 0 HB3 ASP A 50 8.795 -2.040 6.000 1.00 1.10 H new ATOM 823 N GLU A 51 8.036 0.602 7.300 1.00 44.20 N ATOM 824 CA GLU A 51 7.525 1.876 6.788 1.00 25.25 C ATOM 825 C GLU A 51 7.999 2.113 5.344 1.00 64.04 C ATOM 826 O GLU A 51 9.165 2.435 5.106 1.00 42.22 O ATOM 827 CB GLU A 51 8.001 3.012 7.699 1.00 2.34 C ATOM 828 CG GLU A 51 7.558 2.858 9.153 1.00 4.22 C ATOM 829 CD GLU A 51 8.295 3.796 10.092 1.00 74.23 C ATOM 830 OE1 GLU A 51 8.008 5.012 10.073 1.00 34.25 O ATOM 831 OE2 GLU A 51 9.181 3.329 10.836 1.00 44.23 O ATOM 0 H GLU A 51 9.020 0.628 7.569 1.00 44.20 H new ATOM 0 HA GLU A 51 6.435 1.847 6.782 1.00 25.25 H new ATOM 0 HB2 GLU A 51 9.089 3.063 7.663 1.00 2.34 H new ATOM 0 HB3 GLU A 51 7.624 3.959 7.312 1.00 2.34 H new ATOM 0 HG2 GLU A 51 6.487 3.047 9.224 1.00 4.22 H new ATOM 0 HG3 GLU A 51 7.722 1.829 9.472 1.00 4.22 H new ATOM 838 N ILE A 52 7.095 1.948 4.383 1.00 1.43 N ATOM 839 CA ILE A 52 7.447 2.035 2.959 1.00 24.23 C ATOM 840 C ILE A 52 6.800 3.252 2.272 1.00 72.14 C ATOM 841 O ILE A 52 5.664 3.621 2.567 1.00 71.22 O ATOM 842 CB ILE A 52 7.027 0.740 2.209 1.00 44.11 C ATOM 843 CG1 ILE A 52 7.669 -0.494 2.868 1.00 11.40 C ATOM 844 CG2 ILE A 52 7.409 0.819 0.730 1.00 33.53 C ATOM 845 CD1 ILE A 52 7.293 -1.809 2.212 1.00 40.03 C ATOM 0 H ILE A 52 6.110 1.753 4.559 1.00 1.43 H new ATOM 0 HA ILE A 52 8.529 2.154 2.912 1.00 24.23 H new ATOM 0 HB ILE A 52 5.943 0.644 2.274 1.00 44.11 H new ATOM 0 HG12 ILE A 52 8.753 -0.384 2.843 1.00 11.40 H new ATOM 0 HG13 ILE A 52 7.376 -0.526 3.917 1.00 11.40 H new ATOM 0 HG21 ILE A 52 7.105 -0.099 0.226 1.00 33.53 H new ATOM 0 HG22 ILE A 52 6.906 1.670 0.269 1.00 33.53 H new ATOM 0 HG23 ILE A 52 8.488 0.942 0.639 1.00 33.53 H new ATOM 0 HD11 ILE A 52 7.785 -2.630 2.734 1.00 40.03 H new ATOM 0 HD12 ILE A 52 6.212 -1.944 2.261 1.00 40.03 H new ATOM 0 HD13 ILE A 52 7.611 -1.799 1.169 1.00 40.03 H new ATOM 857 N ILE A 53 7.545 3.875 1.356 1.00 23.32 N ATOM 858 CA ILE A 53 7.023 4.982 0.544 1.00 43.11 C ATOM 859 C ILE A 53 6.368 4.451 -0.740 1.00 72.51 C ATOM 860 O ILE A 53 7.046 3.922 -1.625 1.00 31.41 O ATOM 861 CB ILE A 53 8.143 5.986 0.163 1.00 61.40 C ATOM 862 CG1 ILE A 53 8.846 6.516 1.425 1.00 4.15 C ATOM 863 CG2 ILE A 53 7.569 7.141 -0.663 1.00 73.02 C ATOM 864 CD1 ILE A 53 9.990 7.469 1.137 1.00 21.32 C ATOM 0 H ILE A 53 8.515 3.632 1.156 1.00 23.32 H new ATOM 0 HA ILE A 53 6.278 5.500 1.149 1.00 43.11 H new ATOM 0 HB ILE A 53 8.882 5.464 -0.445 1.00 61.40 H new ATOM 0 HG12 ILE A 53 8.112 7.023 2.052 1.00 4.15 H new ATOM 0 HG13 ILE A 53 9.226 5.671 1.999 1.00 4.15 H new ATOM 0 HG21 ILE A 53 8.368 7.836 -0.922 1.00 73.02 H new ATOM 0 HG22 ILE A 53 7.120 6.748 -1.575 1.00 73.02 H new ATOM 0 HG23 ILE A 53 6.809 7.662 -0.081 1.00 73.02 H new ATOM 0 HD11 ILE A 53 10.434 7.799 2.076 1.00 21.32 H new ATOM 0 HD12 ILE A 53 10.745 6.961 0.537 1.00 21.32 H new ATOM 0 HD13 ILE A 53 9.614 8.334 0.590 1.00 21.32 H new ATOM 876 N VAL A 54 5.049 4.589 -0.835 1.00 20.20 N ATOM 877 CA VAL A 54 4.296 4.085 -1.988 1.00 23.14 C ATOM 878 C VAL A 54 3.463 5.188 -2.658 1.00 1.02 C ATOM 879 O VAL A 54 3.136 6.206 -2.044 1.00 62.34 O ATOM 880 CB VAL A 54 3.357 2.916 -1.581 1.00 24.54 C ATOM 881 CG1 VAL A 54 4.165 1.714 -1.089 1.00 14.15 C ATOM 882 CG2 VAL A 54 2.354 3.367 -0.517 1.00 12.25 C ATOM 0 H VAL A 54 4.474 5.046 -0.127 1.00 20.20 H new ATOM 0 HA VAL A 54 5.035 3.724 -2.703 1.00 23.14 H new ATOM 0 HB VAL A 54 2.798 2.610 -2.465 1.00 24.54 H new ATOM 0 HG11 VAL A 54 3.486 0.909 -0.810 1.00 14.15 H new ATOM 0 HG12 VAL A 54 4.827 1.371 -1.884 1.00 14.15 H new ATOM 0 HG13 VAL A 54 4.759 2.005 -0.222 1.00 14.15 H new ATOM 0 HG21 VAL A 54 1.708 2.531 -0.249 1.00 12.25 H new ATOM 0 HG22 VAL A 54 2.891 3.709 0.368 1.00 12.25 H new ATOM 0 HG23 VAL A 54 1.748 4.182 -0.911 1.00 12.25 H new ATOM 892 N GLN A 55 3.131 4.983 -3.929 1.00 53.13 N ATOM 893 CA GLN A 55 2.256 5.908 -4.657 1.00 20.24 C ATOM 894 C GLN A 55 0.864 5.290 -4.855 1.00 55.24 C ATOM 895 O GLN A 55 0.740 4.127 -5.244 1.00 31.21 O ATOM 896 CB GLN A 55 2.865 6.275 -6.019 1.00 61.12 C ATOM 897 CG GLN A 55 2.072 7.337 -6.783 1.00 41.53 C ATOM 898 CD GLN A 55 2.708 7.713 -8.114 1.00 25.21 C ATOM 899 OE1 GLN A 55 3.339 6.894 -8.774 1.00 1.45 O ATOM 900 NE2 GLN A 55 2.553 8.960 -8.516 1.00 71.53 N ATOM 0 H GLN A 55 3.452 4.187 -4.479 1.00 53.13 H new ATOM 0 HA GLN A 55 2.157 6.817 -4.063 1.00 20.24 H new ATOM 0 HB2 GLN A 55 3.883 6.634 -5.867 1.00 61.12 H new ATOM 0 HB3 GLN A 55 2.933 5.375 -6.631 1.00 61.12 H new ATOM 0 HG2 GLN A 55 1.061 6.970 -6.961 1.00 41.53 H new ATOM 0 HG3 GLN A 55 1.982 8.230 -6.165 1.00 41.53 H new ATOM 0 HE21 GLN A 55 2.023 9.618 -7.945 1.00 71.53 H new ATOM 0 HE22 GLN A 55 2.964 9.266 -9.398 1.00 71.53 H new ATOM 909 N ALA A 56 -0.179 6.069 -4.578 1.00 15.14 N ATOM 910 CA ALA A 56 -1.558 5.600 -4.741 1.00 55.02 C ATOM 911 C ALA A 56 -1.963 5.555 -6.222 1.00 11.55 C ATOM 912 O ALA A 56 -1.934 6.573 -6.910 1.00 52.45 O ATOM 913 CB ALA A 56 -2.514 6.492 -3.954 1.00 13.51 C ATOM 0 H ALA A 56 -0.098 7.028 -4.240 1.00 15.14 H new ATOM 0 HA ALA A 56 -1.617 4.584 -4.350 1.00 55.02 H new ATOM 0 HB1 ALA A 56 -3.535 6.134 -4.083 1.00 13.51 H new ATOM 0 HB2 ALA A 56 -2.250 6.464 -2.897 1.00 13.51 H new ATOM 0 HB3 ALA A 56 -2.440 7.516 -4.320 1.00 13.51 H new ATOM 919 N ILE A 57 -2.329 4.373 -6.708 1.00 14.52 N ATOM 920 CA ILE A 57 -2.754 4.209 -8.102 1.00 22.15 C ATOM 921 C ILE A 57 -4.231 4.612 -8.280 1.00 53.04 C ATOM 922 O ILE A 57 -4.537 5.638 -8.892 1.00 2.12 O ATOM 923 CB ILE A 57 -2.546 2.750 -8.588 1.00 32.45 C ATOM 924 CG1 ILE A 57 -1.102 2.295 -8.316 1.00 3.12 C ATOM 925 CG2 ILE A 57 -2.877 2.621 -10.077 1.00 52.34 C ATOM 926 CD1 ILE A 57 -0.819 0.871 -8.748 1.00 1.40 C ATOM 0 H ILE A 57 -2.341 3.512 -6.161 1.00 14.52 H new ATOM 0 HA ILE A 57 -2.133 4.868 -8.709 1.00 22.15 H new ATOM 0 HB ILE A 57 -3.225 2.104 -8.031 1.00 32.45 H new ATOM 0 HG12 ILE A 57 -0.416 2.965 -8.834 1.00 3.12 H new ATOM 0 HG13 ILE A 57 -0.896 2.389 -7.250 1.00 3.12 H new ATOM 0 HG21 ILE A 57 -2.724 1.590 -10.396 1.00 52.34 H new ATOM 0 HG22 ILE A 57 -3.917 2.902 -10.244 1.00 52.34 H new ATOM 0 HG23 ILE A 57 -2.226 3.279 -10.653 1.00 52.34 H new ATOM 0 HD11 ILE A 57 0.218 0.622 -8.524 1.00 1.40 H new ATOM 0 HD12 ILE A 57 -1.479 0.190 -8.211 1.00 1.40 H new ATOM 0 HD13 ILE A 57 -0.992 0.775 -9.820 1.00 1.40 H new ATOM 938 N ASP A 58 -5.143 3.816 -7.714 1.00 25.41 N ATOM 939 CA ASP A 58 -6.590 4.084 -7.802 1.00 13.45 C ATOM 940 C ASP A 58 -7.252 4.114 -6.416 1.00 13.13 C ATOM 941 O ASP A 58 -6.920 3.324 -5.531 1.00 22.23 O ATOM 942 CB ASP A 58 -7.300 3.026 -8.669 1.00 61.24 C ATOM 943 CG ASP A 58 -7.029 3.157 -10.161 1.00 2.52 C ATOM 944 OD1 ASP A 58 -5.904 3.500 -10.552 1.00 62.25 O ATOM 945 OD2 ASP A 58 -7.966 2.924 -10.957 1.00 10.30 O ATOM 0 H ASP A 58 -4.908 2.975 -7.186 1.00 25.41 H new ATOM 0 HA ASP A 58 -6.694 5.066 -8.264 1.00 13.45 H new ATOM 0 HB2 ASP A 58 -6.988 2.035 -8.340 1.00 61.24 H new ATOM 0 HB3 ASP A 58 -8.374 3.095 -8.499 1.00 61.24 H new ATOM 950 N VAL A 59 -8.193 5.041 -6.248 1.00 45.12 N ATOM 951 CA VAL A 59 -8.982 5.156 -5.018 1.00 34.14 C ATOM 952 C VAL A 59 -10.481 5.010 -5.330 1.00 3.10 C ATOM 953 O VAL A 59 -11.095 5.919 -5.895 1.00 32.21 O ATOM 954 CB VAL A 59 -8.737 6.521 -4.316 1.00 52.51 C ATOM 955 CG1 VAL A 59 -9.564 6.637 -3.033 1.00 11.40 C ATOM 956 CG2 VAL A 59 -7.249 6.727 -4.024 1.00 71.34 C ATOM 0 H VAL A 59 -8.432 5.734 -6.958 1.00 45.12 H new ATOM 0 HA VAL A 59 -8.666 4.356 -4.348 1.00 34.14 H new ATOM 0 HB VAL A 59 -9.061 7.308 -4.997 1.00 52.51 H new ATOM 0 HG11 VAL A 59 -9.373 7.602 -2.563 1.00 11.40 H new ATOM 0 HG12 VAL A 59 -10.624 6.555 -3.275 1.00 11.40 H new ATOM 0 HG13 VAL A 59 -9.285 5.837 -2.347 1.00 11.40 H new ATOM 0 HG21 VAL A 59 -7.104 7.689 -3.533 1.00 71.34 H new ATOM 0 HG22 VAL A 59 -6.892 5.930 -3.372 1.00 71.34 H new ATOM 0 HG23 VAL A 59 -6.689 6.709 -4.959 1.00 71.34 H new ATOM 966 N ARG A 60 -11.062 3.855 -4.991 1.00 13.42 N ATOM 967 CA ARG A 60 -12.491 3.608 -5.240 1.00 20.43 C ATOM 968 C ARG A 60 -13.329 3.714 -3.954 1.00 42.21 C ATOM 969 O ARG A 60 -13.399 2.760 -3.176 1.00 1.52 O ATOM 970 CB ARG A 60 -12.704 2.219 -5.868 1.00 33.32 C ATOM 971 CG ARG A 60 -12.080 2.054 -7.250 1.00 3.34 C ATOM 972 CD ARG A 60 -12.518 0.747 -7.910 1.00 60.35 C ATOM 973 NE ARG A 60 -11.988 0.609 -9.265 1.00 25.01 N ATOM 974 CZ ARG A 60 -12.616 0.019 -10.248 1.00 12.01 C ATOM 975 NH1 ARG A 60 -13.801 -0.477 -10.080 1.00 12.24 N ATOM 976 NH2 ARG A 60 -12.057 -0.072 -11.408 1.00 12.34 N ATOM 0 H ARG A 60 -10.571 3.079 -4.546 1.00 13.42 H new ATOM 0 HA ARG A 60 -12.825 4.380 -5.933 1.00 20.43 H new ATOM 0 HB2 ARG A 60 -12.288 1.464 -5.201 1.00 33.32 H new ATOM 0 HB3 ARG A 60 -13.774 2.026 -5.940 1.00 33.32 H new ATOM 0 HG2 ARG A 60 -12.365 2.895 -7.882 1.00 3.34 H new ATOM 0 HG3 ARG A 60 -10.994 2.073 -7.164 1.00 3.34 H new ATOM 0 HD2 ARG A 60 -12.184 -0.094 -7.303 1.00 60.35 H new ATOM 0 HD3 ARG A 60 -13.607 0.705 -7.941 1.00 60.35 H new ATOM 0 HE ARG A 60 -11.065 1.000 -9.457 1.00 25.01 H new ATOM 0 HH11 ARG A 60 -14.258 -0.410 -9.170 1.00 12.24 H new ATOM 0 HH12 ARG A 60 -14.277 -0.934 -10.857 1.00 12.24 H new ATOM 0 HH21 ARG A 60 -11.126 0.316 -11.557 1.00 12.34 H new ATOM 0 HH22 ARG A 60 -12.547 -0.532 -12.175 1.00 12.34 H new ATOM 990 N PRO A 61 -13.984 4.870 -3.717 1.00 10.02 N ATOM 991 CA PRO A 61 -14.862 5.061 -2.549 1.00 4.21 C ATOM 992 C PRO A 61 -16.013 4.044 -2.512 1.00 50.24 C ATOM 993 O PRO A 61 -16.409 3.574 -1.445 1.00 54.23 O ATOM 994 CB PRO A 61 -15.406 6.487 -2.732 1.00 44.12 C ATOM 995 CG PRO A 61 -14.423 7.156 -3.634 1.00 34.12 C ATOM 996 CD PRO A 61 -13.915 6.082 -4.553 1.00 61.41 C ATOM 0 HA PRO A 61 -14.326 4.917 -1.611 1.00 4.21 H new ATOM 0 HB2 PRO A 61 -16.403 6.477 -3.172 1.00 44.12 H new ATOM 0 HB3 PRO A 61 -15.484 7.006 -1.777 1.00 44.12 H new ATOM 0 HG2 PRO A 61 -14.894 7.962 -4.197 1.00 34.12 H new ATOM 0 HG3 PRO A 61 -13.608 7.600 -3.063 1.00 34.12 H new ATOM 0 HD2 PRO A 61 -14.532 5.991 -5.447 1.00 61.41 H new ATOM 0 HD3 PRO A 61 -12.897 6.285 -4.887 1.00 61.41 H new ATOM 1004 N GLU A 62 -16.539 3.711 -3.693 1.00 44.14 N ATOM 1005 CA GLU A 62 -17.577 2.679 -3.844 1.00 34.41 C ATOM 1006 C GLU A 62 -17.191 1.363 -3.139 1.00 72.33 C ATOM 1007 O GLU A 62 -18.029 0.698 -2.532 1.00 23.24 O ATOM 1008 CB GLU A 62 -17.822 2.414 -5.339 1.00 13.11 C ATOM 1009 CG GLU A 62 -16.546 2.078 -6.112 1.00 22.21 C ATOM 1010 CD GLU A 62 -16.798 1.714 -7.567 1.00 75.44 C ATOM 1011 OE1 GLU A 62 -17.009 2.629 -8.390 1.00 22.02 O ATOM 1012 OE2 GLU A 62 -16.785 0.510 -7.890 1.00 31.50 O ATOM 0 H GLU A 62 -16.260 4.146 -4.572 1.00 44.14 H new ATOM 0 HA GLU A 62 -18.487 3.050 -3.373 1.00 34.41 H new ATOM 0 HB2 GLU A 62 -18.529 1.591 -5.444 1.00 13.11 H new ATOM 0 HB3 GLU A 62 -18.288 3.293 -5.785 1.00 13.11 H new ATOM 0 HG2 GLU A 62 -15.870 2.932 -6.071 1.00 22.21 H new ATOM 0 HG3 GLU A 62 -16.040 1.247 -5.620 1.00 22.21 H new ATOM 1019 N LYS A 63 -15.911 0.999 -3.223 1.00 32.14 N ATOM 1020 CA LYS A 63 -15.410 -0.248 -2.626 1.00 44.34 C ATOM 1021 C LYS A 63 -14.544 0.025 -1.385 1.00 31.41 C ATOM 1022 O LYS A 63 -14.195 -0.899 -0.649 1.00 72.45 O ATOM 1023 CB LYS A 63 -14.579 -1.028 -3.659 1.00 54.11 C ATOM 1024 CG LYS A 63 -15.337 -1.398 -4.933 1.00 10.12 C ATOM 1025 CD LYS A 63 -16.579 -2.236 -4.639 1.00 52.11 C ATOM 1026 CE LYS A 63 -17.208 -2.793 -5.914 1.00 11.31 C ATOM 1027 NZ LYS A 63 -17.603 -1.725 -6.868 1.00 74.04 N ATOM 0 H LYS A 63 -15.197 1.550 -3.700 1.00 32.14 H new ATOM 0 HA LYS A 63 -16.275 -0.836 -2.319 1.00 44.34 H new ATOM 0 HB2 LYS A 63 -13.707 -0.432 -3.930 1.00 54.11 H new ATOM 0 HB3 LYS A 63 -14.209 -1.941 -3.194 1.00 54.11 H new ATOM 0 HG2 LYS A 63 -15.630 -0.488 -5.457 1.00 10.12 H new ATOM 0 HG3 LYS A 63 -14.676 -1.952 -5.600 1.00 10.12 H new ATOM 0 HD2 LYS A 63 -16.312 -3.060 -3.977 1.00 52.11 H new ATOM 0 HD3 LYS A 63 -17.311 -1.626 -4.110 1.00 52.11 H new ATOM 0 HE2 LYS A 63 -16.501 -3.466 -6.400 1.00 11.31 H new ATOM 0 HE3 LYS A 63 -18.085 -3.385 -5.654 1.00 11.31 H new ATOM 0 HZ1 LYS A 63 -18.009 -2.156 -7.723 1.00 74.04 H new ATOM 0 HZ2 LYS A 63 -18.311 -1.106 -6.423 1.00 74.04 H new ATOM 0 HZ3 LYS A 63 -16.766 -1.164 -7.127 1.00 74.04 H new ATOM 1041 N ARG A 64 -14.201 1.297 -1.172 1.00 4.01 N ATOM 1042 CA ARG A 64 -13.263 1.711 -0.111 1.00 51.10 C ATOM 1043 C ARG A 64 -11.885 1.047 -0.299 1.00 61.54 C ATOM 1044 O ARG A 64 -11.085 0.961 0.633 1.00 5.45 O ATOM 1045 CB ARG A 64 -13.825 1.389 1.285 1.00 5.01 C ATOM 1046 CG ARG A 64 -15.249 1.892 1.516 1.00 2.24 C ATOM 1047 CD ARG A 64 -15.641 1.834 2.992 1.00 12.03 C ATOM 1048 NE ARG A 64 -14.975 2.879 3.774 1.00 74.51 N ATOM 1049 CZ ARG A 64 -14.046 2.670 4.673 1.00 33.25 C ATOM 1050 NH1 ARG A 64 -13.624 1.471 4.928 1.00 35.54 N ATOM 1051 NH2 ARG A 64 -13.540 3.676 5.311 1.00 31.03 N ATOM 0 H ARG A 64 -14.562 2.073 -1.726 1.00 4.01 H new ATOM 0 HA ARG A 64 -13.138 2.791 -0.188 1.00 51.10 H new ATOM 0 HB2 ARG A 64 -13.804 0.309 1.433 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -13.170 1.827 2.038 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -15.334 2.918 1.158 1.00 2.24 H new ATOM 0 HG3 ARG A 64 -15.946 1.291 0.931 1.00 2.24 H new ATOM 0 HD2 ARG A 64 -16.721 1.943 3.086 1.00 12.03 H new ATOM 0 HD3 ARG A 64 -15.383 0.856 3.398 1.00 12.03 H new ATOM 0 HE ARG A 64 -15.257 3.845 3.605 1.00 74.51 H new ATOM 0 HH11 ARG A 64 -14.016 0.675 4.426 1.00 35.54 H new ATOM 0 HH12 ARG A 64 -12.900 1.324 5.631 1.00 35.54 H new ATOM 0 HH21 ARG A 64 -13.865 4.622 5.112 1.00 31.03 H new ATOM 0 HH22 ARG A 64 -12.816 3.523 6.013 1.00 31.03 H new ATOM 1065 N GLU A 65 -11.611 0.600 -1.526 1.00 65.00 N ATOM 1066 CA GLU A 65 -10.361 -0.101 -1.847 1.00 3.53 C ATOM 1067 C GLU A 65 -9.380 0.812 -2.602 1.00 4.35 C ATOM 1068 O GLU A 65 -9.710 1.368 -3.654 1.00 64.14 O ATOM 1069 CB GLU A 65 -10.659 -1.364 -2.675 1.00 32.23 C ATOM 1070 CG GLU A 65 -11.422 -2.442 -1.902 1.00 64.40 C ATOM 1071 CD GLU A 65 -11.814 -3.639 -2.762 1.00 10.41 C ATOM 1072 OE1 GLU A 65 -10.949 -4.165 -3.497 1.00 34.15 O ATOM 1073 OE2 GLU A 65 -12.990 -4.054 -2.713 1.00 51.23 O ATOM 0 H GLU A 65 -12.241 0.711 -2.320 1.00 65.00 H new ATOM 0 HA GLU A 65 -9.889 -0.391 -0.908 1.00 3.53 H new ATOM 0 HB2 GLU A 65 -11.238 -1.082 -3.555 1.00 32.23 H new ATOM 0 HB3 GLU A 65 -9.719 -1.783 -3.033 1.00 32.23 H new ATOM 0 HG2 GLU A 65 -10.807 -2.787 -1.071 1.00 64.40 H new ATOM 0 HG3 GLU A 65 -12.322 -2.002 -1.472 1.00 64.40 H new ATOM 1080 N ILE A 66 -8.177 0.960 -2.050 1.00 73.03 N ATOM 1081 CA ILE A 66 -7.128 1.785 -2.662 1.00 52.02 C ATOM 1082 C ILE A 66 -5.910 0.930 -3.051 1.00 62.32 C ATOM 1083 O ILE A 66 -5.377 0.185 -2.230 1.00 33.23 O ATOM 1084 CB ILE A 66 -6.662 2.910 -1.700 1.00 51.35 C ATOM 1085 CG1 ILE A 66 -7.859 3.769 -1.251 1.00 44.34 C ATOM 1086 CG2 ILE A 66 -5.591 3.781 -2.363 1.00 60.35 C ATOM 1087 CD1 ILE A 66 -7.500 4.855 -0.256 1.00 64.33 C ATOM 0 H ILE A 66 -7.900 0.517 -1.174 1.00 73.03 H new ATOM 0 HA ILE A 66 -7.559 2.234 -3.557 1.00 52.02 H new ATOM 0 HB ILE A 66 -6.224 2.444 -0.817 1.00 51.35 H new ATOM 0 HG12 ILE A 66 -8.312 4.230 -2.129 1.00 44.34 H new ATOM 0 HG13 ILE A 66 -8.613 3.119 -0.807 1.00 44.34 H new ATOM 0 HG21 ILE A 66 -5.279 4.563 -1.671 1.00 60.35 H new ATOM 0 HG22 ILE A 66 -4.731 3.164 -2.625 1.00 60.35 H new ATOM 0 HG23 ILE A 66 -6.000 4.236 -3.265 1.00 60.35 H new ATOM 0 HD11 ILE A 66 -8.396 5.415 0.010 1.00 64.33 H new ATOM 0 HD12 ILE A 66 -7.076 4.402 0.640 1.00 64.33 H new ATOM 0 HD13 ILE A 66 -6.769 5.530 -0.702 1.00 64.33 H new ATOM 1099 N ASP A 67 -5.476 1.041 -4.303 1.00 43.20 N ATOM 1100 CA ASP A 67 -4.305 0.299 -4.788 1.00 45.12 C ATOM 1101 C ASP A 67 -3.022 1.143 -4.690 1.00 74.45 C ATOM 1102 O ASP A 67 -3.032 2.338 -4.987 1.00 24.21 O ATOM 1103 CB ASP A 67 -4.531 -0.148 -6.235 1.00 44.40 C ATOM 1104 CG ASP A 67 -5.621 -1.201 -6.349 1.00 50.24 C ATOM 1105 OD1 ASP A 67 -5.390 -2.350 -5.907 1.00 22.22 O ATOM 1106 OD2 ASP A 67 -6.704 -0.897 -6.886 1.00 73.45 O ATOM 0 H ASP A 67 -5.915 1.637 -5.005 1.00 43.20 H new ATOM 0 HA ASP A 67 -4.177 -0.578 -4.154 1.00 45.12 H new ATOM 0 HB2 ASP A 67 -4.799 0.716 -6.842 1.00 44.40 H new ATOM 0 HB3 ASP A 67 -3.600 -0.546 -6.640 1.00 44.40 H new ATOM 1111 N PHE A 68 -1.919 0.517 -4.275 1.00 62.44 N ATOM 1112 CA PHE A 68 -0.629 1.215 -4.142 1.00 21.21 C ATOM 1113 C PHE A 68 0.422 0.676 -5.122 1.00 20.44 C ATOM 1114 O PHE A 68 0.245 -0.374 -5.740 1.00 73.10 O ATOM 1115 CB PHE A 68 -0.086 1.091 -2.709 1.00 70.41 C ATOM 1116 CG PHE A 68 -0.929 1.766 -1.660 1.00 71.43 C ATOM 1117 CD1 PHE A 68 -1.524 2.995 -1.907 1.00 32.01 C ATOM 1118 CD2 PHE A 68 -1.112 1.177 -0.416 1.00 73.42 C ATOM 1119 CE1 PHE A 68 -2.288 3.617 -0.942 1.00 24.33 C ATOM 1120 CE2 PHE A 68 -1.876 1.797 0.551 1.00 25.45 C ATOM 1121 CZ PHE A 68 -2.464 3.017 0.291 1.00 34.14 C ATOM 0 H PHE A 68 -1.888 -0.471 -4.024 1.00 62.44 H new ATOM 0 HA PHE A 68 -0.816 2.263 -4.377 1.00 21.21 H new ATOM 0 HB2 PHE A 68 0.005 0.034 -2.459 1.00 70.41 H new ATOM 0 HB3 PHE A 68 0.918 1.514 -2.677 1.00 70.41 H new ATOM 0 HD1 PHE A 68 -1.387 3.470 -2.867 1.00 32.01 H new ATOM 0 HD2 PHE A 68 -0.651 0.224 -0.203 1.00 73.42 H new ATOM 0 HE1 PHE A 68 -2.748 4.572 -1.149 1.00 24.33 H new ATOM 0 HE2 PHE A 68 -2.014 1.326 1.513 1.00 25.45 H new ATOM 0 HZ PHE A 68 -3.061 3.503 1.049 1.00 34.14 H new ATOM 1131 N LYS A 69 1.523 1.413 -5.240 1.00 42.21 N ATOM 1132 CA LYS A 69 2.652 1.029 -6.094 1.00 1.02 C ATOM 1133 C LYS A 69 3.986 1.363 -5.409 1.00 33.24 C ATOM 1134 O LYS A 69 4.111 2.403 -4.762 1.00 73.14 O ATOM 1135 CB LYS A 69 2.577 1.781 -7.430 1.00 74.24 C ATOM 1136 CG LYS A 69 3.705 1.441 -8.405 1.00 50.11 C ATOM 1137 CD LYS A 69 3.734 2.398 -9.594 1.00 21.31 C ATOM 1138 CE LYS A 69 4.055 3.827 -9.157 1.00 5.54 C ATOM 1139 NZ LYS A 69 4.067 4.776 -10.300 1.00 33.23 N ATOM 0 H LYS A 69 1.661 2.295 -4.747 1.00 42.21 H new ATOM 0 HA LYS A 69 2.597 -0.045 -6.269 1.00 1.02 H new ATOM 0 HB2 LYS A 69 1.622 1.559 -7.906 1.00 74.24 H new ATOM 0 HB3 LYS A 69 2.594 2.853 -7.232 1.00 74.24 H new ATOM 0 HG2 LYS A 69 4.661 1.481 -7.883 1.00 50.11 H new ATOM 0 HG3 LYS A 69 3.580 0.419 -8.764 1.00 50.11 H new ATOM 0 HD2 LYS A 69 4.479 2.061 -10.315 1.00 21.31 H new ATOM 0 HD3 LYS A 69 2.769 2.380 -10.100 1.00 21.31 H new ATOM 0 HE2 LYS A 69 3.318 4.154 -8.423 1.00 5.54 H new ATOM 0 HE3 LYS A 69 5.026 3.844 -8.663 1.00 5.54 H new ATOM 0 HZ1 LYS A 69 3.782 5.720 -9.970 1.00 33.23 H new ATOM 0 HZ2 LYS A 69 5.025 4.824 -10.701 1.00 33.23 H new ATOM 0 HZ3 LYS A 69 3.402 4.449 -11.030 1.00 33.23 H new ATOM 1153 N TYR A 70 4.985 0.499 -5.574 1.00 64.24 N ATOM 1154 CA TYR A 70 6.325 0.765 -5.041 1.00 13.24 C ATOM 1155 C TYR A 70 7.156 1.545 -6.072 1.00 42.32 C ATOM 1156 O TYR A 70 7.249 1.148 -7.233 1.00 22.12 O ATOM 1157 CB TYR A 70 7.030 -0.554 -4.679 1.00 44.20 C ATOM 1158 CG TYR A 70 8.405 -0.370 -4.053 1.00 40.01 C ATOM 1159 CD1 TYR A 70 9.544 -0.233 -4.842 1.00 44.31 C ATOM 1160 CD2 TYR A 70 8.563 -0.327 -2.671 1.00 71.40 C ATOM 1161 CE1 TYR A 70 10.790 -0.057 -4.276 1.00 0.45 C ATOM 1162 CE2 TYR A 70 9.809 -0.154 -2.098 1.00 63.20 C ATOM 1163 CZ TYR A 70 10.919 -0.018 -2.905 1.00 11.01 C ATOM 1164 OH TYR A 70 12.163 0.158 -2.339 1.00 72.53 O ATOM 0 H TYR A 70 4.896 -0.388 -6.070 1.00 64.24 H new ATOM 0 HA TYR A 70 6.229 1.366 -4.137 1.00 13.24 H new ATOM 0 HB2 TYR A 70 6.399 -1.113 -3.988 1.00 44.20 H new ATOM 0 HB3 TYR A 70 7.130 -1.159 -5.580 1.00 44.20 H new ATOM 0 HD1 TYR A 70 9.450 -0.265 -5.917 1.00 44.31 H new ATOM 0 HD2 TYR A 70 7.697 -0.431 -2.035 1.00 71.40 H new ATOM 0 HE1 TYR A 70 11.661 0.050 -4.906 1.00 0.45 H new ATOM 0 HE2 TYR A 70 9.913 -0.125 -1.023 1.00 63.20 H new ATOM 0 HH TYR A 70 12.080 0.164 -1.363 1.00 72.53 H new ATOM 1174 N ILE A 71 7.758 2.652 -5.646 1.00 33.22 N ATOM 1175 CA ILE A 71 8.509 3.523 -6.561 1.00 31.24 C ATOM 1176 C ILE A 71 10.029 3.465 -6.309 1.00 22.30 C ATOM 1177 O ILE A 71 10.483 3.530 -5.164 1.00 42.34 O ATOM 1178 CB ILE A 71 8.036 4.996 -6.444 1.00 5.53 C ATOM 1179 CG1 ILE A 71 8.171 5.500 -4.997 1.00 21.20 C ATOM 1180 CG2 ILE A 71 6.593 5.131 -6.922 1.00 45.42 C ATOM 1181 CD1 ILE A 71 7.936 6.987 -4.842 1.00 53.12 C ATOM 0 H ILE A 71 7.744 2.971 -4.677 1.00 33.22 H new ATOM 0 HA ILE A 71 8.311 3.151 -7.566 1.00 31.24 H new ATOM 0 HB ILE A 71 8.673 5.610 -7.080 1.00 5.53 H new ATOM 0 HG12 ILE A 71 7.462 4.962 -4.368 1.00 21.20 H new ATOM 0 HG13 ILE A 71 9.169 5.259 -4.630 1.00 21.20 H new ATOM 0 HG21 ILE A 71 6.276 6.170 -6.834 1.00 45.42 H new ATOM 0 HG22 ILE A 71 6.524 4.818 -7.964 1.00 45.42 H new ATOM 0 HG23 ILE A 71 5.947 4.501 -6.310 1.00 45.42 H new ATOM 0 HD11 ILE A 71 8.049 7.266 -3.794 1.00 53.12 H new ATOM 0 HD12 ILE A 71 8.662 7.535 -5.443 1.00 53.12 H new ATOM 0 HD13 ILE A 71 6.928 7.233 -5.177 1.00 53.12 H new ATOM 1193 N PRO A 72 10.837 3.331 -7.380 1.00 32.03 N ATOM 1194 CA PRO A 72 12.296 3.432 -7.274 1.00 13.33 C ATOM 1195 C PRO A 72 12.761 4.899 -7.216 1.00 30.00 C ATOM 1196 O PRO A 72 13.041 5.525 -8.243 1.00 70.30 O ATOM 1197 CB PRO A 72 12.782 2.737 -8.553 1.00 64.50 C ATOM 1198 CG PRO A 72 11.691 2.970 -9.549 1.00 60.44 C ATOM 1199 CD PRO A 72 10.400 3.056 -8.765 1.00 35.15 C ATOM 0 HA PRO A 72 12.691 2.980 -6.364 1.00 13.33 H new ATOM 0 HB2 PRO A 72 13.728 3.156 -8.896 1.00 64.50 H new ATOM 0 HB3 PRO A 72 12.946 1.672 -8.387 1.00 64.50 H new ATOM 0 HG2 PRO A 72 11.867 3.889 -10.108 1.00 60.44 H new ATOM 0 HG3 PRO A 72 11.650 2.158 -10.275 1.00 60.44 H new ATOM 0 HD2 PRO A 72 9.755 3.849 -9.144 1.00 35.15 H new ATOM 0 HD3 PRO A 72 9.833 2.127 -8.827 1.00 35.15 H new ATOM 1207 N LEU A 73 12.796 5.455 -6.006 1.00 22.43 N ATOM 1208 CA LEU A 73 13.141 6.870 -5.806 1.00 11.21 C ATOM 1209 C LEU A 73 14.653 7.121 -5.935 1.00 23.43 C ATOM 1210 O LEU A 73 15.469 6.235 -5.673 1.00 64.24 O ATOM 1211 CB LEU A 73 12.639 7.373 -4.436 1.00 20.12 C ATOM 1212 CG LEU A 73 13.372 6.833 -3.186 1.00 62.13 C ATOM 1213 CD1 LEU A 73 12.931 7.596 -1.938 1.00 35.03 C ATOM 1214 CD2 LEU A 73 13.130 5.333 -2.997 1.00 74.53 C ATOM 0 H LEU A 73 12.590 4.949 -5.145 1.00 22.43 H new ATOM 0 HA LEU A 73 12.641 7.430 -6.596 1.00 11.21 H new ATOM 0 HB2 LEU A 73 12.708 8.461 -4.427 1.00 20.12 H new ATOM 0 HB3 LEU A 73 11.583 7.120 -4.347 1.00 20.12 H new ATOM 0 HG LEU A 73 14.440 6.985 -3.339 1.00 62.13 H new ATOM 0 HD11 LEU A 73 13.456 7.204 -1.067 1.00 35.03 H new ATOM 0 HD12 LEU A 73 13.165 8.654 -2.057 1.00 35.03 H new ATOM 0 HD13 LEU A 73 11.857 7.475 -1.799 1.00 35.03 H new ATOM 0 HD21 LEU A 73 13.660 4.988 -2.109 1.00 74.53 H new ATOM 0 HD22 LEU A 73 12.062 5.149 -2.877 1.00 74.53 H new ATOM 0 HD23 LEU A 73 13.495 4.793 -3.870 1.00 74.53 H new ATOM 1226 N GLU A 74 15.008 8.339 -6.342 1.00 0.12 N ATOM 1227 CA GLU A 74 16.414 8.749 -6.475 1.00 74.55 C ATOM 1228 C GLU A 74 16.852 9.670 -5.311 1.00 32.12 C ATOM 1229 O GLU A 74 16.565 10.892 -5.348 1.00 37.26 O ATOM 1230 CB GLU A 74 16.641 9.435 -7.839 1.00 13.10 C ATOM 1231 CG GLU A 74 15.558 10.444 -8.224 1.00 43.22 C ATOM 1232 CD GLU A 74 15.920 11.257 -9.456 1.00 42.45 C ATOM 1233 OE1 GLU A 74 15.883 10.710 -10.579 1.00 43.43 O ATOM 1234 OE2 GLU A 74 16.264 12.450 -9.307 1.00 71.24 O ATOM 0 H GLU A 74 14.338 9.068 -6.588 1.00 0.12 H new ATOM 0 HA GLU A 74 17.033 7.853 -6.427 1.00 74.55 H new ATOM 0 HB2 GLU A 74 17.605 9.944 -7.821 1.00 13.10 H new ATOM 0 HB3 GLU A 74 16.699 8.669 -8.612 1.00 13.10 H new ATOM 0 HG2 GLU A 74 14.623 9.914 -8.406 1.00 43.22 H new ATOM 0 HG3 GLU A 74 15.384 11.120 -7.387 1.00 43.22 H new TER 1241 GLU A 74