USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.105 (180deg=-0.118) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 103:sc= 0.939 USER MOD Single : A 11 HIS :FLIP no HE2:sc= -0.0291 F(o=-0.88,f=-0.029) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 17 HIS : no HD1:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0859 K(o=-0.086,f=-0.77) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0602 K(o=0.06,f=-2.9) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 158:sc= 1.3 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -24:sc= 0.171 USER MOD Single : A 58 SER OG : rot 160:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 0.31 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -175:sc= -0.383 (180deg=-0.411) USER MOD Single : A 95 THR OG1 : rot 132:sc= 1.27 USER MOD Single : A 99 GLN : amide:sc= 0.852 K(o=0.85,f=-9.4!) USER MOD Single : A 102 SER OG : rot -46:sc= 0.00241 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.056 -18.006 22.073 1.00 70.34 N ATOM 2 CA MET A 1 15.940 -17.204 22.602 1.00 51.11 C ATOM 3 C MET A 1 14.756 -17.365 21.665 1.00 70.54 C ATOM 4 O MET A 1 14.970 -17.550 20.466 1.00 11.03 O ATOM 5 CB MET A 1 16.334 -15.727 22.745 1.00 72.14 C ATOM 6 CG MET A 1 17.229 -15.540 23.973 1.00 22.33 C ATOM 7 SD MET A 1 18.005 -13.911 24.108 1.00 11.13 S ATOM 8 CE MET A 1 18.898 -14.161 25.666 1.00 61.24 C ATOM 0 H1 MET A 1 17.211 -18.832 22.686 1.00 70.34 H new ATOM 0 H2 MET A 1 16.827 -18.327 21.111 1.00 70.34 H new ATOM 0 H3 MET A 1 17.919 -17.426 22.049 1.00 70.34 H new ATOM 0 HA MET A 1 15.675 -17.556 23.599 1.00 51.11 H new ATOM 0 HB2 MET A 1 16.858 -15.393 21.849 1.00 72.14 H new ATOM 0 HB3 MET A 1 15.440 -15.111 22.839 1.00 72.14 H new ATOM 0 HG2 MET A 1 16.634 -15.719 24.869 1.00 22.33 H new ATOM 0 HG3 MET A 1 18.011 -16.299 23.953 1.00 22.33 H new ATOM 0 HE1 MET A 1 19.446 -13.254 25.921 1.00 61.24 H new ATOM 0 HE2 MET A 1 18.187 -14.391 26.460 1.00 61.24 H new ATOM 0 HE3 MET A 1 19.599 -14.989 25.555 1.00 61.24 H new ATOM 16 N THR A 2 13.547 -17.388 22.222 1.00 33.11 N ATOM 17 CA THR A 2 12.302 -16.990 21.576 1.00 1.05 C ATOM 18 C THR A 2 12.162 -17.513 20.139 1.00 50.11 C ATOM 19 O THR A 2 12.371 -16.766 19.180 1.00 10.02 O ATOM 20 CB THR A 2 12.117 -15.468 21.747 1.00 65.54 C ATOM 21 OG1 THR A 2 12.687 -15.055 22.979 1.00 71.11 O ATOM 22 CG2 THR A 2 10.638 -15.100 21.781 1.00 4.32 C ATOM 0 H THR A 2 13.404 -17.700 23.183 1.00 33.11 H new ATOM 0 HA THR A 2 11.463 -17.477 22.074 1.00 1.05 H new ATOM 0 HB THR A 2 12.602 -14.977 20.904 1.00 65.54 H new ATOM 0 HG1 THR A 2 12.570 -14.088 23.086 1.00 71.11 H new ATOM 0 HG21 THR A 2 10.534 -14.022 21.902 1.00 4.32 H new ATOM 0 HG22 THR A 2 10.165 -15.408 20.848 1.00 4.32 H new ATOM 0 HG23 THR A 2 10.156 -15.607 22.617 1.00 4.32 H new ATOM 30 N THR A 3 11.866 -18.806 19.979 1.00 33.11 N ATOM 31 CA THR A 3 11.677 -19.414 18.666 1.00 5.21 C ATOM 32 C THR A 3 10.445 -18.799 17.995 1.00 64.53 C ATOM 33 O THR A 3 10.573 -18.144 16.958 1.00 3.01 O ATOM 34 CB THR A 3 11.591 -20.947 18.792 1.00 42.32 C ATOM 35 OG1 THR A 3 10.780 -21.322 19.889 1.00 22.11 O ATOM 36 CG2 THR A 3 12.974 -21.561 19.015 1.00 2.04 C ATOM 0 H THR A 3 11.752 -19.456 20.756 1.00 33.11 H new ATOM 0 HA THR A 3 12.535 -19.206 18.027 1.00 5.21 H new ATOM 0 HB THR A 3 11.161 -21.312 17.859 1.00 42.32 H new ATOM 0 HG1 THR A 3 9.899 -21.603 19.564 1.00 22.11 H new ATOM 0 HG21 THR A 3 12.882 -22.644 19.100 1.00 2.04 H new ATOM 0 HG22 THR A 3 13.621 -21.317 18.172 1.00 2.04 H new ATOM 0 HG23 THR A 3 13.406 -21.160 19.932 1.00 2.04 H new ATOM 44 N PHE A 4 9.269 -18.974 18.600 1.00 61.22 N ATOM 45 CA PHE A 4 7.985 -18.478 18.130 1.00 22.43 C ATOM 46 C PHE A 4 7.359 -17.605 19.217 1.00 61.41 C ATOM 47 O PHE A 4 7.338 -16.390 19.039 1.00 3.13 O ATOM 48 CB PHE A 4 7.091 -19.626 17.630 1.00 63.31 C ATOM 49 CG PHE A 4 7.013 -20.873 18.501 1.00 33.25 C ATOM 50 CD1 PHE A 4 7.982 -21.888 18.372 1.00 70.20 C ATOM 51 CD2 PHE A 4 5.947 -21.057 19.402 1.00 4.01 C ATOM 52 CE1 PHE A 4 7.907 -23.059 19.149 1.00 63.43 C ATOM 53 CE2 PHE A 4 5.864 -22.228 20.175 1.00 61.30 C ATOM 54 CZ PHE A 4 6.844 -23.228 20.051 1.00 74.14 C ATOM 0 H PHE A 4 9.188 -19.492 19.475 1.00 61.22 H new ATOM 0 HA PHE A 4 8.118 -17.842 17.255 1.00 22.43 H new ATOM 0 HB2 PHE A 4 6.080 -19.238 17.504 1.00 63.31 H new ATOM 0 HB3 PHE A 4 7.444 -19.924 16.643 1.00 63.31 H new ATOM 0 HD1 PHE A 4 8.792 -21.766 17.668 1.00 70.20 H new ATOM 0 HD2 PHE A 4 5.189 -20.294 19.500 1.00 4.01 H new ATOM 0 HE1 PHE A 4 8.663 -23.824 19.052 1.00 63.43 H new ATOM 0 HE2 PHE A 4 5.045 -22.360 20.866 1.00 61.30 H new ATOM 0 HZ PHE A 4 6.780 -24.125 20.649 1.00 74.14 H new ATOM 63 N ASP A 5 7.000 -18.197 20.364 1.00 65.24 N ATOM 64 CA ASP A 5 6.464 -17.572 21.585 1.00 12.04 C ATOM 65 C ASP A 5 4.986 -17.160 21.449 1.00 31.13 C ATOM 66 O ASP A 5 4.656 -16.047 21.024 1.00 10.01 O ATOM 67 CB ASP A 5 7.378 -16.430 22.037 1.00 71.20 C ATOM 68 CG ASP A 5 7.147 -16.044 23.487 1.00 31.54 C ATOM 69 OD1 ASP A 5 7.543 -16.845 24.368 1.00 53.34 O ATOM 70 OD2 ASP A 5 6.778 -14.877 23.744 1.00 54.33 O ATOM 0 H ASP A 5 7.083 -19.208 20.473 1.00 65.24 H new ATOM 0 HA ASP A 5 6.462 -18.321 22.377 1.00 12.04 H new ATOM 0 HB2 ASP A 5 8.418 -16.726 21.904 1.00 71.20 H new ATOM 0 HB3 ASP A 5 7.210 -15.561 21.401 1.00 71.20 H new ATOM 74 N ASP A 6 4.094 -18.108 21.779 1.00 11.22 N ATOM 75 CA ASP A 6 2.694 -18.176 21.320 1.00 2.45 C ATOM 76 C ASP A 6 2.672 -18.135 19.782 1.00 2.44 C ATOM 77 O ASP A 6 3.665 -18.491 19.138 1.00 41.31 O ATOM 78 CB ASP A 6 1.806 -17.130 22.039 1.00 1.35 C ATOM 79 CG ASP A 6 0.302 -17.430 21.913 1.00 1.13 C ATOM 80 OD1 ASP A 6 -0.235 -18.197 22.736 1.00 4.04 O ATOM 81 OD2 ASP A 6 -0.360 -16.863 21.009 1.00 45.30 O ATOM 0 H ASP A 6 4.337 -18.881 22.399 1.00 11.22 H new ATOM 0 HA ASP A 6 2.236 -19.123 21.604 1.00 2.45 H new ATOM 0 HB2 ASP A 6 2.077 -17.095 23.094 1.00 1.35 H new ATOM 0 HB3 ASP A 6 2.010 -16.142 21.625 1.00 1.35 H new ATOM 85 N ARG A 7 1.572 -17.717 19.152 1.00 1.45 N ATOM 86 CA ARG A 7 1.582 -17.290 17.760 1.00 11.42 C ATOM 87 C ARG A 7 1.777 -18.473 16.812 1.00 54.00 C ATOM 88 O ARG A 7 2.211 -18.275 15.677 1.00 42.22 O ATOM 89 CB ARG A 7 2.595 -16.127 17.612 1.00 33.14 C ATOM 90 CG ARG A 7 2.049 -14.998 16.738 1.00 64.22 C ATOM 91 CD ARG A 7 2.983 -13.778 16.720 1.00 10.21 C ATOM 92 NE ARG A 7 3.091 -13.092 18.030 1.00 14.45 N ATOM 93 CZ ARG A 7 3.788 -11.971 18.292 1.00 34.11 C ATOM 94 NH1 ARG A 7 4.513 -11.383 17.345 1.00 44.32 N ATOM 95 NH2 ARG A 7 3.717 -11.434 19.502 1.00 14.01 N ATOM 0 H ARG A 7 0.654 -17.667 19.595 1.00 1.45 H new ATOM 0 HA ARG A 7 0.612 -16.894 17.459 1.00 11.42 H new ATOM 0 HB2 ARG A 7 2.842 -15.734 18.598 1.00 33.14 H new ATOM 0 HB3 ARG A 7 3.521 -16.506 17.178 1.00 33.14 H new ATOM 0 HG2 ARG A 7 1.910 -15.363 15.720 1.00 64.22 H new ATOM 0 HG3 ARG A 7 1.068 -14.698 17.106 1.00 64.22 H new ATOM 0 HD2 ARG A 7 3.976 -14.096 16.403 1.00 10.21 H new ATOM 0 HD3 ARG A 7 2.624 -13.067 15.976 1.00 10.21 H new ATOM 0 HE ARG A 7 2.586 -13.512 18.811 1.00 14.45 H new ATOM 0 HH11 ARG A 7 4.546 -11.781 16.407 1.00 44.32 H new ATOM 0 HH12 ARG A 7 5.037 -10.534 17.557 1.00 44.32 H new ATOM 0 HH21 ARG A 7 3.139 -11.870 20.221 1.00 14.01 H new ATOM 0 HH22 ARG A 7 4.240 -10.584 19.714 1.00 14.01 H new ATOM 106 N GLU A 8 1.444 -19.687 17.255 1.00 24.31 N ATOM 107 CA GLU A 8 1.386 -20.881 16.434 1.00 71.44 C ATOM 108 C GLU A 8 0.265 -20.707 15.401 1.00 41.33 C ATOM 109 O GLU A 8 -0.931 -20.749 15.730 1.00 10.25 O ATOM 110 CB GLU A 8 1.172 -22.131 17.310 1.00 44.02 C ATOM 111 CG GLU A 8 0.859 -23.317 16.367 1.00 21.55 C ATOM 112 CD GLU A 8 0.903 -24.734 16.936 1.00 53.11 C ATOM 113 OE1 GLU A 8 0.625 -24.888 18.140 1.00 14.13 O ATOM 114 OE2 GLU A 8 1.130 -25.658 16.112 1.00 71.20 O ATOM 0 H GLU A 8 1.200 -19.864 18.230 1.00 24.31 H new ATOM 0 HA GLU A 8 2.330 -21.024 15.909 1.00 71.44 H new ATOM 0 HB2 GLU A 8 2.062 -22.339 17.904 1.00 44.02 H new ATOM 0 HB3 GLU A 8 0.352 -21.972 18.010 1.00 44.02 H new ATOM 0 HG2 GLU A 8 -0.137 -23.157 15.953 1.00 21.55 H new ATOM 0 HG3 GLU A 8 1.561 -23.272 15.535 1.00 21.55 H new ATOM 119 N ARG A 9 0.638 -20.559 14.125 1.00 72.24 N ATOM 120 CA ARG A 9 -0.284 -20.159 13.062 1.00 3.15 C ATOM 121 C ARG A 9 -1.084 -18.922 13.490 1.00 50.01 C ATOM 122 O ARG A 9 -0.646 -18.134 14.327 1.00 1.04 O ATOM 123 CB ARG A 9 -1.146 -21.347 12.597 1.00 1.04 C ATOM 124 CG ARG A 9 -0.366 -22.547 12.041 1.00 32.51 C ATOM 125 CD ARG A 9 -0.418 -23.699 13.038 1.00 31.13 C ATOM 126 NE ARG A 9 -0.419 -25.011 12.374 1.00 32.35 N ATOM 127 CZ ARG A 9 -1.513 -25.673 11.983 1.00 30.55 C ATOM 128 NH1 ARG A 9 -2.725 -25.189 12.232 1.00 12.44 N ATOM 129 NH2 ARG A 9 -1.422 -26.826 11.334 1.00 41.12 N ATOM 0 H ARG A 9 1.593 -20.715 13.802 1.00 72.24 H new ATOM 0 HA ARG A 9 0.282 -19.860 12.180 1.00 3.15 H new ATOM 0 HB2 ARG A 9 -1.751 -21.686 13.438 1.00 1.04 H new ATOM 0 HB3 ARG A 9 -1.835 -20.996 11.829 1.00 1.04 H new ATOM 0 HG2 ARG A 9 -0.791 -22.859 11.087 1.00 32.51 H new ATOM 0 HG3 ARG A 9 0.669 -22.264 11.851 1.00 32.51 H new ATOM 0 HD2 ARG A 9 0.438 -23.635 13.709 1.00 31.13 H new ATOM 0 HD3 ARG A 9 -1.313 -23.605 13.653 1.00 31.13 H new ATOM 0 HE ARG A 9 0.485 -25.450 12.198 1.00 32.35 H new ATOM 0 HH11 ARG A 9 -2.829 -24.303 12.727 1.00 12.44 H new ATOM 0 HH12 ARG A 9 -3.552 -25.703 11.929 1.00 12.44 H new ATOM 0 HH21 ARG A 9 -0.506 -27.223 11.125 1.00 41.12 H new ATOM 0 HH22 ARG A 9 -2.268 -27.316 11.044 1.00 41.12 H new ATOM 140 N ALA A 10 -2.165 -18.643 12.769 1.00 53.02 N ATOM 141 CA ALA A 10 -3.116 -17.542 12.943 1.00 71.21 C ATOM 142 C ALA A 10 -2.533 -16.177 12.574 1.00 73.13 C ATOM 143 O ALA A 10 -3.278 -15.262 12.235 1.00 74.32 O ATOM 144 CB ALA A 10 -3.761 -17.558 14.332 1.00 23.35 C ATOM 0 H ALA A 10 -2.424 -19.232 11.977 1.00 53.02 H new ATOM 0 HA ALA A 10 -3.917 -17.714 12.224 1.00 71.21 H new ATOM 0 HB1 ALA A 10 -4.459 -16.725 14.419 1.00 23.35 H new ATOM 0 HB2 ALA A 10 -4.297 -18.497 14.474 1.00 23.35 H new ATOM 0 HB3 ALA A 10 -2.987 -17.463 15.094 1.00 23.35 H new ATOM 150 N HIS A 11 -1.211 -16.091 12.496 1.00 43.44 N ATOM 151 CA HIS A 11 -0.417 -14.959 12.100 1.00 24.35 C ATOM 152 C HIS A 11 0.551 -15.471 11.048 1.00 42.21 C ATOM 153 O HIS A 11 0.236 -15.390 9.864 1.00 2.03 O ATOM 154 CB HIS A 11 0.194 -14.374 13.377 1.00 43.43 C ATOM 155 CG HIS A 11 -0.741 -13.343 13.966 1.00 62.12 C ATOM 156 ND1 HIS A 11 -1.921 -13.586 14.624 1.00 22.44 N flip ATOM 157 CD2 HIS A 11 -0.661 -11.984 13.760 1.00 20.32 C flip ATOM 158 CE1 HIS A 11 -2.559 -12.366 14.831 1.00 41.40 C flip ATOM 159 NE2 HIS A 11 -1.773 -11.438 14.277 1.00 22.11 N flip ATOM 0 H HIS A 11 -0.624 -16.891 12.732 1.00 43.44 H new ATOM 0 HA HIS A 11 -0.956 -14.133 11.637 1.00 24.35 H new ATOM 0 HB2 HIS A 11 0.377 -15.168 14.101 1.00 43.43 H new ATOM 0 HB3 HIS A 11 1.159 -13.918 13.154 1.00 43.43 H new ATOM 0 HD1 HIS A 11 -2.269 -14.501 14.911 1.00 22.44 H new ATOM 0 HD2 HIS A 11 0.146 -11.456 13.273 1.00 20.32 H new ATOM 0 HE1 HIS A 11 -3.499 -12.203 15.337 1.00 41.40 H new ATOM 166 N GLU A 12 1.585 -16.188 11.480 1.00 30.12 N ATOM 167 CA GLU A 12 2.698 -16.678 10.652 1.00 41.33 C ATOM 168 C GLU A 12 2.213 -17.286 9.334 1.00 63.14 C ATOM 169 O GLU A 12 2.573 -16.822 8.252 1.00 41.32 O ATOM 170 CB GLU A 12 3.599 -17.670 11.427 1.00 10.05 C ATOM 171 CG GLU A 12 2.831 -18.768 12.188 1.00 72.23 C ATOM 172 CD GLU A 12 3.678 -19.849 12.859 1.00 32.24 C ATOM 173 OE1 GLU A 12 4.621 -19.533 13.618 1.00 11.41 O ATOM 174 OE2 GLU A 12 3.277 -21.032 12.726 1.00 23.54 O ATOM 0 H GLU A 12 1.680 -16.458 12.459 1.00 30.12 H new ATOM 0 HA GLU A 12 3.305 -15.808 10.402 1.00 41.33 H new ATOM 0 HB2 GLU A 12 4.285 -18.144 10.725 1.00 10.05 H new ATOM 0 HB3 GLU A 12 4.207 -17.110 12.138 1.00 10.05 H new ATOM 0 HG2 GLU A 12 2.219 -18.290 12.953 1.00 72.23 H new ATOM 0 HG3 GLU A 12 2.148 -19.253 11.491 1.00 72.23 H new ATOM 179 N ALA A 13 1.363 -18.312 9.414 1.00 14.01 N ATOM 180 CA ALA A 13 0.900 -19.037 8.246 1.00 23.14 C ATOM 181 C ALA A 13 -0.279 -18.313 7.606 1.00 62.50 C ATOM 182 O ALA A 13 -0.500 -18.435 6.408 1.00 54.04 O ATOM 183 CB ALA A 13 0.489 -20.444 8.675 1.00 72.22 C ATOM 0 H ALA A 13 0.981 -18.658 10.294 1.00 14.01 H new ATOM 0 HA ALA A 13 1.701 -19.096 7.509 1.00 23.14 H new ATOM 0 HB1 ALA A 13 0.138 -21.001 7.806 1.00 72.22 H new ATOM 0 HB2 ALA A 13 1.346 -20.956 9.113 1.00 72.22 H new ATOM 0 HB3 ALA A 13 -0.311 -20.380 9.412 1.00 72.22 H new ATOM 189 N LYS A 14 -1.050 -17.566 8.396 1.00 64.22 N ATOM 190 CA LYS A 14 -2.337 -17.033 7.973 1.00 34.14 C ATOM 191 C LYS A 14 -2.169 -16.055 6.826 1.00 5.20 C ATOM 192 O LYS A 14 -3.009 -16.042 5.930 1.00 14.51 O ATOM 193 CB LYS A 14 -3.048 -16.382 9.169 1.00 24.13 C ATOM 194 CG LYS A 14 -4.516 -16.800 9.342 1.00 71.41 C ATOM 195 CD LYS A 14 -4.681 -18.321 9.517 1.00 21.42 C ATOM 196 CE LYS A 14 -5.937 -18.736 10.295 1.00 24.54 C ATOM 197 NZ LYS A 14 -7.169 -18.191 9.704 1.00 13.33 N ATOM 0 H LYS A 14 -0.795 -17.315 9.351 1.00 64.22 H new ATOM 0 HA LYS A 14 -2.957 -17.852 7.608 1.00 34.14 H new ATOM 0 HB2 LYS A 14 -2.503 -16.631 10.079 1.00 24.13 H new ATOM 0 HB3 LYS A 14 -3.003 -15.299 9.057 1.00 24.13 H new ATOM 0 HG2 LYS A 14 -4.935 -16.290 10.210 1.00 71.41 H new ATOM 0 HG3 LYS A 14 -5.088 -16.474 8.473 1.00 71.41 H new ATOM 0 HD2 LYS A 14 -4.708 -18.787 8.532 1.00 21.42 H new ATOM 0 HD3 LYS A 14 -3.804 -18.713 10.031 1.00 21.42 H new ATOM 0 HE2 LYS A 14 -6.001 -19.824 10.323 1.00 24.54 H new ATOM 0 HE3 LYS A 14 -5.851 -18.395 11.327 1.00 24.54 H new ATOM 0 HZ1 LYS A 14 -7.993 -18.540 10.234 1.00 13.33 H new ATOM 0 HZ2 LYS A 14 -7.145 -17.152 9.747 1.00 13.33 H new ATOM 0 HZ3 LYS A 14 -7.242 -18.495 8.712 1.00 13.33 H new ATOM 207 N PHE A 15 -1.094 -15.269 6.852 1.00 61.13 N ATOM 208 CA PHE A 15 -0.780 -14.335 5.788 1.00 63.35 C ATOM 209 C PHE A 15 0.163 -14.967 4.759 1.00 53.34 C ATOM 210 O PHE A 15 0.022 -14.681 3.575 1.00 54.53 O ATOM 211 CB PHE A 15 -0.196 -13.064 6.404 1.00 32.30 C ATOM 212 CG PHE A 15 -1.169 -12.311 7.299 1.00 62.22 C ATOM 213 CD1 PHE A 15 -2.141 -11.452 6.744 1.00 51.51 C ATOM 214 CD2 PHE A 15 -1.112 -12.489 8.695 1.00 14.33 C ATOM 215 CE1 PHE A 15 -3.028 -10.767 7.598 1.00 41.22 C ATOM 216 CE2 PHE A 15 -1.993 -11.798 9.544 1.00 3.41 C ATOM 217 CZ PHE A 15 -2.945 -10.925 8.993 1.00 4.11 C ATOM 0 H PHE A 15 -0.419 -15.267 7.616 1.00 61.13 H new ATOM 0 HA PHE A 15 -1.689 -14.073 5.247 1.00 63.35 H new ATOM 0 HB2 PHE A 15 0.688 -13.326 6.985 1.00 32.30 H new ATOM 0 HB3 PHE A 15 0.133 -12.402 5.603 1.00 32.30 H new ATOM 0 HD1 PHE A 15 -2.205 -11.321 5.674 1.00 51.51 H new ATOM 0 HD2 PHE A 15 -0.383 -13.164 9.118 1.00 14.33 H new ATOM 0 HE1 PHE A 15 -3.779 -10.114 7.177 1.00 41.22 H new ATOM 0 HE2 PHE A 15 -1.938 -11.937 10.614 1.00 3.41 H new ATOM 0 HZ PHE A 15 -3.613 -10.375 9.640 1.00 4.11 H new ATOM 226 N ALA A 16 1.090 -15.847 5.166 1.00 30.21 N ATOM 227 CA ALA A 16 2.011 -16.505 4.231 1.00 41.24 C ATOM 228 C ALA A 16 1.261 -17.333 3.179 1.00 12.04 C ATOM 229 O ALA A 16 1.653 -17.373 2.018 1.00 53.43 O ATOM 230 CB ALA A 16 2.993 -17.393 5.001 1.00 31.14 C ATOM 0 H ALA A 16 1.221 -16.119 6.140 1.00 30.21 H new ATOM 0 HA ALA A 16 2.562 -15.726 3.704 1.00 41.24 H new ATOM 0 HB1 ALA A 16 3.672 -17.877 4.300 1.00 31.14 H new ATOM 0 HB2 ALA A 16 3.566 -16.782 5.698 1.00 31.14 H new ATOM 0 HB3 ALA A 16 2.440 -18.153 5.554 1.00 31.14 H new ATOM 236 N HIS A 17 0.152 -17.958 3.582 1.00 65.33 N ATOM 237 CA HIS A 17 -0.742 -18.725 2.720 1.00 24.23 C ATOM 238 C HIS A 17 -1.666 -17.819 1.876 1.00 73.01 C ATOM 239 O HIS A 17 -2.634 -18.310 1.284 1.00 5.14 O ATOM 240 CB HIS A 17 -1.515 -19.722 3.597 1.00 70.24 C ATOM 241 CG HIS A 17 -0.678 -20.879 4.108 1.00 12.33 C ATOM 242 ND1 HIS A 17 -0.926 -22.215 3.887 1.00 71.31 N ATOM 243 CD2 HIS A 17 0.470 -20.803 4.851 1.00 63.23 C ATOM 244 CE1 HIS A 17 0.037 -22.924 4.502 1.00 34.15 C ATOM 245 NE2 HIS A 17 0.909 -22.104 5.112 1.00 74.23 N ATOM 0 H HIS A 17 -0.157 -17.941 4.554 1.00 65.33 H new ATOM 0 HA HIS A 17 -0.158 -19.278 1.985 1.00 24.23 H new ATOM 0 HB2 HIS A 17 -1.936 -19.189 4.449 1.00 70.24 H new ATOM 0 HB3 HIS A 17 -2.353 -20.119 3.024 1.00 70.24 H new ATOM 0 HD2 HIS A 17 0.953 -19.894 5.179 1.00 63.23 H new ATOM 0 HE1 HIS A 17 0.101 -24.002 4.505 1.00 34.15 H new ATOM 0 HE2 HIS A 17 1.727 -22.376 5.656 1.00 74.23 H new ATOM 252 N ASP A 18 -1.358 -16.519 1.796 1.00 52.25 N ATOM 253 CA ASP A 18 -1.980 -15.506 0.952 1.00 61.15 C ATOM 254 C ASP A 18 -3.403 -15.192 1.433 1.00 54.55 C ATOM 255 O ASP A 18 -3.687 -15.280 2.629 1.00 63.12 O ATOM 256 CB ASP A 18 -1.797 -15.824 -0.552 1.00 24.01 C ATOM 257 CG ASP A 18 -0.340 -15.663 -0.996 1.00 64.14 C ATOM 258 OD1 ASP A 18 0.046 -14.516 -1.325 1.00 45.11 O ATOM 259 OD2 ASP A 18 0.407 -16.667 -1.002 1.00 22.00 O ATOM 0 H ASP A 18 -0.610 -16.123 2.365 1.00 52.25 H new ATOM 0 HA ASP A 18 -1.457 -14.556 1.060 1.00 61.15 H new ATOM 0 HB2 ASP A 18 -2.126 -16.844 -0.750 1.00 24.01 H new ATOM 0 HB3 ASP A 18 -2.432 -15.164 -1.143 1.00 24.01 H new ATOM 263 N ALA A 19 -4.280 -14.716 0.540 1.00 60.41 N ATOM 264 CA ALA A 19 -5.672 -14.317 0.756 1.00 54.34 C ATOM 265 C ALA A 19 -5.808 -13.124 1.706 1.00 34.22 C ATOM 266 O ALA A 19 -6.043 -12.012 1.247 1.00 64.33 O ATOM 267 CB ALA A 19 -6.532 -15.513 1.188 1.00 44.33 C ATOM 0 H ALA A 19 -4.008 -14.590 -0.435 1.00 60.41 H new ATOM 0 HA ALA A 19 -6.056 -13.970 -0.204 1.00 54.34 H new ATOM 0 HB1 ALA A 19 -7.560 -15.185 1.341 1.00 44.33 H new ATOM 0 HB2 ALA A 19 -6.506 -16.279 0.412 1.00 44.33 H new ATOM 0 HB3 ALA A 19 -6.141 -15.925 2.118 1.00 44.33 H new ATOM 273 N GLU A 20 -5.629 -13.335 3.010 1.00 55.25 N ATOM 274 CA GLU A 20 -5.570 -12.283 4.027 1.00 63.33 C ATOM 275 C GLU A 20 -4.512 -11.264 3.598 1.00 3.50 C ATOM 276 O GLU A 20 -4.744 -10.053 3.578 1.00 40.44 O ATOM 277 CB GLU A 20 -5.191 -12.913 5.380 1.00 12.50 C ATOM 278 CG GLU A 20 -6.349 -13.636 6.083 1.00 31.02 C ATOM 279 CD GLU A 20 -7.314 -12.715 6.845 1.00 73.11 C ATOM 280 OE1 GLU A 20 -7.182 -11.470 6.798 1.00 13.42 O ATOM 281 OE2 GLU A 20 -8.185 -13.280 7.544 1.00 40.23 O ATOM 0 H GLU A 20 -5.518 -14.271 3.400 1.00 55.25 H new ATOM 0 HA GLU A 20 -6.535 -11.787 4.130 1.00 63.33 H new ATOM 0 HB2 GLU A 20 -4.377 -13.621 5.223 1.00 12.50 H new ATOM 0 HB3 GLU A 20 -4.812 -12.132 6.039 1.00 12.50 H new ATOM 0 HG2 GLU A 20 -6.915 -14.196 5.339 1.00 31.02 H new ATOM 0 HG3 GLU A 20 -5.935 -14.363 6.782 1.00 31.02 H new ATOM 286 N LEU A 21 -3.345 -11.772 3.192 1.00 22.43 N ATOM 287 CA LEU A 21 -2.231 -10.938 2.776 1.00 63.12 C ATOM 288 C LEU A 21 -2.495 -10.226 1.466 1.00 42.42 C ATOM 289 O LEU A 21 -2.022 -9.106 1.275 1.00 12.30 O ATOM 290 CB LEU A 21 -0.978 -11.813 2.649 1.00 25.02 C ATOM 291 CG LEU A 21 0.315 -11.081 2.245 1.00 10.40 C ATOM 292 CD1 LEU A 21 0.602 -9.873 3.133 1.00 62.32 C ATOM 293 CD2 LEU A 21 1.508 -12.042 2.283 1.00 41.44 C ATOM 0 H LEU A 21 -3.153 -12.773 3.145 1.00 22.43 H new ATOM 0 HA LEU A 21 -2.089 -10.166 3.533 1.00 63.12 H new ATOM 0 HB2 LEU A 21 -0.808 -12.311 3.604 1.00 25.02 H new ATOM 0 HB3 LEU A 21 -1.176 -12.593 1.914 1.00 25.02 H new ATOM 0 HG LEU A 21 0.167 -10.717 1.228 1.00 10.40 H new ATOM 0 HD11 LEU A 21 1.524 -9.392 2.806 1.00 62.32 H new ATOM 0 HD12 LEU A 21 -0.223 -9.164 3.060 1.00 62.32 H new ATOM 0 HD13 LEU A 21 0.710 -10.199 4.167 1.00 62.32 H new ATOM 0 HD21 LEU A 21 2.414 -11.509 1.995 1.00 41.44 H new ATOM 0 HD22 LEU A 21 1.625 -12.437 3.292 1.00 41.44 H new ATOM 0 HD23 LEU A 21 1.335 -12.865 1.589 1.00 41.44 H new ATOM 304 N ASN A 22 -3.238 -10.849 0.553 1.00 65.05 N ATOM 305 CA ASN A 22 -3.608 -10.178 -0.692 1.00 13.13 C ATOM 306 C ASN A 22 -4.439 -8.955 -0.337 1.00 35.12 C ATOM 307 O ASN A 22 -4.141 -7.867 -0.819 1.00 61.34 O ATOM 308 CB ASN A 22 -4.336 -11.096 -1.683 1.00 15.40 C ATOM 309 CG ASN A 22 -3.382 -11.970 -2.496 1.00 5.13 C ATOM 310 OD1 ASN A 22 -2.330 -11.524 -2.945 1.00 32.33 O ATOM 311 ND2 ASN A 22 -3.694 -13.238 -2.677 1.00 23.30 N ATOM 0 H ASN A 22 -3.591 -11.801 0.648 1.00 65.05 H new ATOM 0 HA ASN A 22 -2.698 -9.878 -1.212 1.00 13.13 H new ATOM 0 HB2 ASN A 22 -5.029 -11.735 -1.136 1.00 15.40 H new ATOM 0 HB3 ASN A 22 -4.932 -10.488 -2.363 1.00 15.40 H new ATOM 0 HD21 ASN A 22 -3.061 -13.851 -3.191 1.00 23.30 H new ATOM 0 HD22 ASN A 22 -4.569 -13.606 -2.303 1.00 23.30 H new ATOM 317 N PHE A 23 -5.403 -9.127 0.571 1.00 54.42 N ATOM 318 CA PHE A 23 -6.363 -8.093 0.919 1.00 41.32 C ATOM 319 C PHE A 23 -5.633 -6.924 1.578 1.00 0.52 C ATOM 320 O PHE A 23 -5.619 -5.805 1.057 1.00 32.24 O ATOM 321 CB PHE A 23 -7.474 -8.682 1.811 1.00 24.43 C ATOM 322 CG PHE A 23 -8.763 -7.882 1.747 1.00 35.04 C ATOM 323 CD1 PHE A 23 -8.840 -6.596 2.318 1.00 20.30 C ATOM 324 CD2 PHE A 23 -9.870 -8.397 1.043 1.00 34.23 C ATOM 325 CE1 PHE A 23 -9.995 -5.814 2.143 1.00 62.05 C ATOM 326 CE2 PHE A 23 -11.022 -7.614 0.866 1.00 63.23 C ATOM 327 CZ PHE A 23 -11.080 -6.318 1.405 1.00 61.01 C ATOM 0 H PHE A 23 -5.535 -9.998 1.086 1.00 54.42 H new ATOM 0 HA PHE A 23 -6.850 -7.711 0.022 1.00 41.32 H new ATOM 0 HB2 PHE A 23 -7.673 -9.709 1.505 1.00 24.43 H new ATOM 0 HB3 PHE A 23 -7.125 -8.718 2.843 1.00 24.43 H new ATOM 0 HD1 PHE A 23 -8.010 -6.210 2.891 1.00 20.30 H new ATOM 0 HD2 PHE A 23 -9.832 -9.398 0.638 1.00 34.23 H new ATOM 0 HE1 PHE A 23 -10.049 -4.826 2.576 1.00 62.05 H new ATOM 0 HE2 PHE A 23 -11.863 -8.008 0.316 1.00 63.23 H new ATOM 0 HZ PHE A 23 -11.959 -5.709 1.252 1.00 61.01 H new ATOM 336 N LYS A 24 -4.990 -7.173 2.728 1.00 42.45 N ATOM 337 CA LYS A 24 -4.388 -6.113 3.522 1.00 14.33 C ATOM 338 C LYS A 24 -3.331 -5.369 2.714 1.00 31.33 C ATOM 339 O LYS A 24 -3.269 -4.141 2.752 1.00 15.13 O ATOM 340 CB LYS A 24 -3.779 -6.685 4.811 1.00 60.04 C ATOM 341 CG LYS A 24 -4.748 -7.487 5.708 1.00 53.31 C ATOM 342 CD LYS A 24 -5.034 -6.830 7.069 1.00 42.23 C ATOM 343 CE LYS A 24 -3.758 -6.698 7.909 1.00 1.41 C ATOM 344 NZ LYS A 24 -4.000 -6.165 9.270 1.00 4.30 N ATOM 0 H LYS A 24 -4.878 -8.107 3.123 1.00 42.45 H new ATOM 0 HA LYS A 24 -5.170 -5.404 3.796 1.00 14.33 H new ATOM 0 HB2 LYS A 24 -2.943 -7.331 4.541 1.00 60.04 H new ATOM 0 HB3 LYS A 24 -3.370 -5.861 5.395 1.00 60.04 H new ATOM 0 HG2 LYS A 24 -5.690 -7.622 5.177 1.00 53.31 H new ATOM 0 HG3 LYS A 24 -4.332 -8.480 5.876 1.00 53.31 H new ATOM 0 HD2 LYS A 24 -5.472 -5.844 6.913 1.00 42.23 H new ATOM 0 HD3 LYS A 24 -5.769 -7.423 7.613 1.00 42.23 H new ATOM 0 HE2 LYS A 24 -3.282 -7.675 7.989 1.00 1.41 H new ATOM 0 HE3 LYS A 24 -3.057 -6.044 7.390 1.00 1.41 H new ATOM 0 HZ1 LYS A 24 -3.098 -6.101 9.783 1.00 4.30 H new ATOM 0 HZ2 LYS A 24 -4.427 -5.219 9.202 1.00 4.30 H new ATOM 0 HZ3 LYS A 24 -4.645 -6.800 9.782 1.00 4.30 H new ATOM 354 N ALA A 25 -2.486 -6.090 1.968 1.00 54.34 N ATOM 355 CA ALA A 25 -1.371 -5.464 1.279 1.00 31.40 C ATOM 356 C ALA A 25 -1.812 -4.607 0.085 1.00 50.33 C ATOM 357 O ALA A 25 -1.024 -3.776 -0.372 1.00 13.20 O ATOM 358 CB ALA A 25 -0.368 -6.524 0.854 1.00 71.34 C ATOM 0 H ALA A 25 -2.559 -7.098 1.832 1.00 54.34 H new ATOM 0 HA ALA A 25 -0.896 -4.779 1.981 1.00 31.40 H new ATOM 0 HB1 ALA A 25 0.466 -6.049 0.338 1.00 71.34 H new ATOM 0 HB2 ALA A 25 0.002 -7.049 1.735 1.00 71.34 H new ATOM 0 HB3 ALA A 25 -0.852 -7.235 0.184 1.00 71.34 H new ATOM 364 N GLU A 26 -3.029 -4.767 -0.450 1.00 54.44 N ATOM 365 CA GLU A 26 -3.552 -3.860 -1.475 1.00 33.02 C ATOM 366 C GLU A 26 -3.907 -2.517 -0.833 1.00 32.40 C ATOM 367 O GLU A 26 -3.420 -1.461 -1.251 1.00 72.43 O ATOM 368 CB GLU A 26 -4.739 -4.468 -2.236 1.00 54.23 C ATOM 369 CG GLU A 26 -4.229 -5.448 -3.302 1.00 74.21 C ATOM 370 CD GLU A 26 -5.301 -5.836 -4.320 1.00 52.31 C ATOM 371 OE1 GLU A 26 -5.615 -4.983 -5.184 1.00 71.11 O ATOM 372 OE2 GLU A 26 -5.743 -7.003 -4.318 1.00 75.04 O ATOM 0 H GLU A 26 -3.669 -5.517 -0.189 1.00 54.44 H new ATOM 0 HA GLU A 26 -2.776 -3.695 -2.222 1.00 33.02 H new ATOM 0 HB2 GLU A 26 -5.401 -4.985 -1.541 1.00 54.23 H new ATOM 0 HB3 GLU A 26 -5.324 -3.678 -2.706 1.00 54.23 H new ATOM 0 HG2 GLU A 26 -3.385 -4.999 -3.825 1.00 74.21 H new ATOM 0 HG3 GLU A 26 -3.859 -6.348 -2.812 1.00 74.21 H new ATOM 377 N ALA A 27 -4.667 -2.550 0.260 1.00 73.05 N ATOM 378 CA ALA A 27 -4.966 -1.360 1.051 1.00 75.02 C ATOM 379 C ALA A 27 -3.659 -0.653 1.436 1.00 11.53 C ATOM 380 O ALA A 27 -3.480 0.547 1.199 1.00 41.41 O ATOM 381 CB ALA A 27 -5.786 -1.769 2.283 1.00 23.24 C ATOM 0 H ALA A 27 -5.093 -3.404 0.622 1.00 73.05 H new ATOM 0 HA ALA A 27 -5.560 -0.654 0.470 1.00 75.02 H new ATOM 0 HB1 ALA A 27 -6.013 -0.885 2.879 1.00 23.24 H new ATOM 0 HB2 ALA A 27 -6.716 -2.239 1.962 1.00 23.24 H new ATOM 0 HB3 ALA A 27 -5.212 -2.474 2.884 1.00 23.24 H new ATOM 387 N ARG A 28 -2.701 -1.427 1.956 1.00 12.51 N ATOM 388 CA ARG A 28 -1.403 -0.946 2.407 1.00 53.54 C ATOM 389 C ARG A 28 -0.672 -0.206 1.288 1.00 31.21 C ATOM 390 O ARG A 28 -0.205 0.907 1.522 1.00 12.13 O ATOM 391 CB ARG A 28 -0.603 -2.123 2.991 1.00 30.04 C ATOM 392 CG ARG A 28 0.665 -1.720 3.761 1.00 71.24 C ATOM 393 CD ARG A 28 0.286 -1.142 5.127 1.00 65.43 C ATOM 394 NE ARG A 28 1.457 -0.682 5.884 1.00 44.21 N ATOM 395 CZ ARG A 28 1.418 -0.225 7.138 1.00 32.44 C ATOM 396 NH1 ARG A 28 0.271 -0.160 7.798 1.00 1.14 N ATOM 397 NH2 ARG A 28 2.535 0.160 7.735 1.00 63.05 N ATOM 0 H ARG A 28 -2.816 -2.433 2.076 1.00 12.51 H new ATOM 0 HA ARG A 28 -1.531 -0.212 3.203 1.00 53.54 H new ATOM 0 HB2 ARG A 28 -1.252 -2.690 3.659 1.00 30.04 H new ATOM 0 HB3 ARG A 28 -0.320 -2.791 2.178 1.00 30.04 H new ATOM 0 HG2 ARG A 28 1.313 -2.587 3.891 1.00 71.24 H new ATOM 0 HG3 ARG A 28 1.229 -0.983 3.189 1.00 71.24 H new ATOM 0 HD2 ARG A 28 -0.403 -0.309 4.988 1.00 65.43 H new ATOM 0 HD3 ARG A 28 -0.242 -1.900 5.705 1.00 65.43 H new ATOM 0 HE ARG A 28 2.364 -0.714 5.419 1.00 44.21 H new ATOM 0 HH11 ARG A 28 -0.594 -0.461 7.348 1.00 1.14 H new ATOM 0 HH12 ARG A 28 0.253 0.191 8.756 1.00 1.14 H new ATOM 0 HH21 ARG A 28 3.424 0.107 7.237 1.00 63.05 H new ATOM 0 HH22 ARG A 28 2.507 0.509 8.693 1.00 63.05 H new ATOM 408 N ARG A 29 -0.570 -0.767 0.072 1.00 64.05 N ATOM 409 CA ARG A 29 0.170 -0.095 -1.008 1.00 53.53 C ATOM 410 C ARG A 29 -0.412 1.275 -1.356 1.00 12.53 C ATOM 411 O ARG A 29 0.358 2.175 -1.690 1.00 43.52 O ATOM 412 CB ARG A 29 0.408 -0.998 -2.239 1.00 24.24 C ATOM 413 CG ARG A 29 -0.770 -1.668 -2.956 1.00 34.20 C ATOM 414 CD ARG A 29 -1.639 -0.796 -3.863 1.00 61.24 C ATOM 415 NE ARG A 29 -2.519 -1.612 -4.734 1.00 65.32 N ATOM 416 CZ ARG A 29 -3.859 -1.699 -4.701 1.00 44.12 C ATOM 417 NH1 ARG A 29 -4.567 -1.098 -3.759 1.00 33.12 N ATOM 418 NH2 ARG A 29 -4.497 -2.428 -5.604 1.00 12.13 N ATOM 0 H ARG A 29 -0.981 -1.665 -0.185 1.00 64.05 H new ATOM 0 HA ARG A 29 1.166 0.103 -0.612 1.00 53.53 H new ATOM 0 HB2 ARG A 29 0.936 -0.398 -2.980 1.00 24.24 H new ATOM 0 HB3 ARG A 29 1.088 -1.791 -1.929 1.00 24.24 H new ATOM 0 HG2 ARG A 29 -0.375 -2.487 -3.557 1.00 34.20 H new ATOM 0 HG3 ARG A 29 -1.416 -2.111 -2.198 1.00 34.20 H new ATOM 0 HD2 ARG A 29 -2.249 -0.131 -3.252 1.00 61.24 H new ATOM 0 HD3 ARG A 29 -1.000 -0.165 -4.481 1.00 61.24 H new ATOM 0 HE ARG A 29 -2.050 -2.175 -5.444 1.00 65.32 H new ATOM 0 HH11 ARG A 29 -4.096 -0.554 -3.036 1.00 33.12 H new ATOM 0 HH12 ARG A 29 -5.584 -1.179 -3.755 1.00 33.12 H new ATOM 0 HH21 ARG A 29 -3.971 -2.923 -6.324 1.00 12.13 H new ATOM 0 HH22 ARG A 29 -5.515 -2.494 -5.579 1.00 12.13 H new ATOM 429 N ASN A 30 -1.730 1.473 -1.235 1.00 73.23 N ATOM 430 CA ASN A 30 -2.339 2.765 -1.563 1.00 62.43 C ATOM 431 C ASN A 30 -1.943 3.821 -0.534 1.00 65.02 C ATOM 432 O ASN A 30 -1.506 4.906 -0.917 1.00 4.10 O ATOM 433 CB ASN A 30 -3.876 2.676 -1.655 1.00 74.31 C ATOM 434 CG ASN A 30 -4.377 2.121 -2.982 1.00 75.05 C ATOM 435 OD1 ASN A 30 -3.596 1.689 -3.820 1.00 42.22 O ATOM 436 ND2 ASN A 30 -5.682 2.079 -3.178 1.00 72.42 N ATOM 0 H ASN A 30 -2.388 0.762 -0.916 1.00 73.23 H new ATOM 0 HA ASN A 30 -1.963 3.055 -2.544 1.00 62.43 H new ATOM 0 HB2 ASN A 30 -4.244 2.046 -0.845 1.00 74.31 H new ATOM 0 HB3 ASN A 30 -4.299 3.669 -1.503 1.00 74.31 H new ATOM 0 HD21 ASN A 30 -6.056 1.681 -4.040 1.00 72.42 H new ATOM 0 HD22 ASN A 30 -6.316 2.444 -2.468 1.00 72.42 H new ATOM 442 N ARG A 31 -2.083 3.535 0.769 1.00 73.14 N ATOM 443 CA ARG A 31 -1.719 4.511 1.809 1.00 44.25 C ATOM 444 C ARG A 31 -0.255 4.926 1.693 1.00 71.14 C ATOM 445 O ARG A 31 0.054 6.114 1.659 1.00 74.13 O ATOM 446 CB ARG A 31 -2.048 4.038 3.237 1.00 61.41 C ATOM 447 CG ARG A 31 -1.593 2.647 3.691 1.00 53.54 C ATOM 448 CD ARG A 31 -1.780 2.456 5.203 1.00 52.12 C ATOM 449 NE ARG A 31 -3.167 2.205 5.609 1.00 75.44 N ATOM 450 CZ ARG A 31 -3.545 1.702 6.792 1.00 73.42 C ATOM 451 NH1 ARG A 31 -2.647 1.390 7.719 1.00 0.12 N ATOM 452 NH2 ARG A 31 -4.831 1.506 7.048 1.00 55.21 N ATOM 0 H ARG A 31 -2.441 2.649 1.125 1.00 73.14 H new ATOM 0 HA ARG A 31 -2.343 5.386 1.628 1.00 44.25 H new ATOM 0 HB2 ARG A 31 -1.621 4.764 3.929 1.00 61.41 H new ATOM 0 HB3 ARG A 31 -3.131 4.083 3.356 1.00 61.41 H new ATOM 0 HG2 ARG A 31 -2.159 1.885 3.155 1.00 53.54 H new ATOM 0 HG3 ARG A 31 -0.544 2.505 3.433 1.00 53.54 H new ATOM 0 HD2 ARG A 31 -1.160 1.622 5.532 1.00 52.12 H new ATOM 0 HD3 ARG A 31 -1.417 3.346 5.718 1.00 52.12 H new ATOM 0 HE ARG A 31 -3.901 2.431 4.938 1.00 75.44 H new ATOM 0 HH11 ARG A 31 -1.654 1.532 7.535 1.00 0.12 H new ATOM 0 HH12 ARG A 31 -2.950 1.008 8.615 1.00 0.12 H new ATOM 0 HH21 ARG A 31 -5.532 1.738 6.345 1.00 55.21 H new ATOM 0 HH22 ARG A 31 -5.119 1.123 7.948 1.00 55.21 H new ATOM 463 N LEU A 32 0.627 3.937 1.557 1.00 71.03 N ATOM 464 CA LEU A 32 2.066 4.102 1.368 1.00 5.14 C ATOM 465 C LEU A 32 2.389 5.074 0.230 1.00 62.45 C ATOM 466 O LEU A 32 3.284 5.905 0.366 1.00 44.31 O ATOM 467 CB LEU A 32 2.697 2.721 1.104 1.00 71.45 C ATOM 468 CG LEU A 32 3.379 2.065 2.318 1.00 51.41 C ATOM 469 CD1 LEU A 32 2.472 1.990 3.550 1.00 14.41 C ATOM 470 CD2 LEU A 32 3.807 0.640 1.944 1.00 3.33 C ATOM 0 H LEU A 32 0.345 2.957 1.576 1.00 71.03 H new ATOM 0 HA LEU A 32 2.488 4.534 2.275 1.00 5.14 H new ATOM 0 HB2 LEU A 32 1.921 2.049 0.738 1.00 71.45 H new ATOM 0 HB3 LEU A 32 3.433 2.823 0.306 1.00 71.45 H new ATOM 0 HG LEU A 32 4.235 2.689 2.576 1.00 51.41 H new ATOM 0 HD11 LEU A 32 3.012 1.517 4.371 1.00 14.41 H new ATOM 0 HD12 LEU A 32 2.173 2.996 3.844 1.00 14.41 H new ATOM 0 HD13 LEU A 32 1.585 1.403 3.313 1.00 14.41 H new ATOM 0 HD21 LEU A 32 4.291 0.169 2.800 1.00 3.33 H new ATOM 0 HD22 LEU A 32 2.930 0.060 1.659 1.00 3.33 H new ATOM 0 HD23 LEU A 32 4.505 0.677 1.108 1.00 3.33 H new ATOM 481 N LEU A 33 1.692 4.965 -0.905 1.00 43.43 N ATOM 482 CA LEU A 33 1.865 5.859 -2.036 1.00 23.43 C ATOM 483 C LEU A 33 1.310 7.249 -1.731 1.00 22.43 C ATOM 484 O LEU A 33 1.899 8.251 -2.131 1.00 3.34 O ATOM 485 CB LEU A 33 1.127 5.248 -3.236 1.00 5.32 C ATOM 486 CG LEU A 33 2.026 4.434 -4.173 1.00 34.13 C ATOM 487 CD1 LEU A 33 1.176 3.729 -5.222 1.00 33.30 C ATOM 488 CD2 LEU A 33 3.029 5.312 -4.921 1.00 23.42 C ATOM 0 H LEU A 33 0.987 4.244 -1.058 1.00 43.43 H new ATOM 0 HA LEU A 33 2.927 5.973 -2.253 1.00 23.43 H new ATOM 0 HB2 LEU A 33 0.327 4.606 -2.868 1.00 5.32 H new ATOM 0 HB3 LEU A 33 0.656 6.049 -3.806 1.00 5.32 H new ATOM 0 HG LEU A 33 2.566 3.724 -3.547 1.00 34.13 H new ATOM 0 HD11 LEU A 33 1.821 3.152 -5.885 1.00 33.30 H new ATOM 0 HD12 LEU A 33 0.471 3.060 -4.729 1.00 33.30 H new ATOM 0 HD13 LEU A 33 0.627 4.470 -5.804 1.00 33.30 H new ATOM 0 HD21 LEU A 33 3.643 4.690 -5.572 1.00 23.42 H new ATOM 0 HD22 LEU A 33 2.493 6.046 -5.522 1.00 23.42 H new ATOM 0 HD23 LEU A 33 3.668 5.827 -4.203 1.00 23.42 H new ATOM 499 N GLY A 34 0.193 7.322 -1.008 1.00 25.03 N ATOM 500 CA GLY A 34 -0.430 8.572 -0.608 1.00 54.11 C ATOM 501 C GLY A 34 0.527 9.438 0.207 1.00 13.54 C ATOM 502 O GLY A 34 0.691 10.618 -0.090 1.00 43.54 O ATOM 0 H GLY A 34 -0.309 6.497 -0.681 1.00 25.03 H new ATOM 0 HA2 GLY A 34 -0.752 9.119 -1.494 1.00 54.11 H new ATOM 0 HA3 GLY A 34 -1.324 8.363 -0.020 1.00 54.11 H new ATOM 506 N GLU A 35 1.206 8.842 1.194 1.00 61.41 N ATOM 507 CA GLU A 35 2.161 9.513 2.081 1.00 32.24 C ATOM 508 C GLU A 35 3.365 10.097 1.320 1.00 23.21 C ATOM 509 O GLU A 35 4.075 10.955 1.849 1.00 31.04 O ATOM 510 CB GLU A 35 2.670 8.498 3.127 1.00 2.34 C ATOM 511 CG GLU A 35 1.634 8.000 4.150 1.00 62.34 C ATOM 512 CD GLU A 35 1.363 8.959 5.312 1.00 41.31 C ATOM 513 OE1 GLU A 35 2.294 9.644 5.793 1.00 4.12 O ATOM 514 OE2 GLU A 35 0.231 8.932 5.847 1.00 73.21 O ATOM 0 H GLU A 35 1.102 7.849 1.403 1.00 61.41 H new ATOM 0 HA GLU A 35 1.641 10.344 2.557 1.00 32.24 H new ATOM 0 HB2 GLU A 35 3.072 7.634 2.598 1.00 2.34 H new ATOM 0 HB3 GLU A 35 3.498 8.953 3.671 1.00 2.34 H new ATOM 0 HG2 GLU A 35 0.695 7.808 3.630 1.00 62.34 H new ATOM 0 HG3 GLU A 35 1.975 7.048 4.556 1.00 62.34 H new ATOM 519 N TRP A 36 3.629 9.632 0.097 1.00 65.13 N ATOM 520 CA TRP A 36 4.594 10.227 -0.819 1.00 54.32 C ATOM 521 C TRP A 36 3.898 11.356 -1.561 1.00 52.23 C ATOM 522 O TRP A 36 4.205 12.527 -1.326 1.00 51.32 O ATOM 523 CB TRP A 36 5.155 9.128 -1.739 1.00 54.32 C ATOM 524 CG TRP A 36 5.888 9.569 -2.967 1.00 5.42 C ATOM 525 CD1 TRP A 36 7.027 10.296 -2.984 1.00 21.11 C ATOM 526 CD2 TRP A 36 5.538 9.338 -4.371 1.00 31.21 C ATOM 527 NE1 TRP A 36 7.431 10.494 -4.289 1.00 70.33 N ATOM 528 CE2 TRP A 36 6.575 9.889 -5.186 1.00 41.24 C ATOM 529 CE3 TRP A 36 4.454 8.717 -5.036 1.00 65.24 C ATOM 530 CZ2 TRP A 36 6.537 9.828 -6.588 1.00 43.33 C ATOM 531 CZ3 TRP A 36 4.408 8.653 -6.444 1.00 13.54 C ATOM 532 CH2 TRP A 36 5.443 9.209 -7.215 1.00 25.04 C ATOM 0 H TRP A 36 3.164 8.811 -0.290 1.00 65.13 H new ATOM 0 HA TRP A 36 5.451 10.657 -0.300 1.00 54.32 H new ATOM 0 HB2 TRP A 36 5.828 8.506 -1.149 1.00 54.32 H new ATOM 0 HB3 TRP A 36 4.326 8.493 -2.051 1.00 54.32 H new ATOM 0 HD1 TRP A 36 7.543 10.666 -2.110 1.00 21.11 H new ATOM 0 HE1 TRP A 36 8.261 11.023 -4.557 1.00 70.33 H new ATOM 0 HE3 TRP A 36 3.651 8.286 -4.457 1.00 65.24 H new ATOM 0 HZ2 TRP A 36 7.338 10.251 -7.176 1.00 43.33 H new ATOM 0 HZ3 TRP A 36 3.572 8.174 -6.933 1.00 13.54 H new ATOM 0 HH2 TRP A 36 5.397 9.160 -8.293 1.00 25.04 H new ATOM 542 N ALA A 37 2.928 11.005 -2.404 1.00 34.20 N ATOM 543 CA ALA A 37 2.316 11.900 -3.368 1.00 13.43 C ATOM 544 C ALA A 37 1.750 13.169 -2.728 1.00 22.02 C ATOM 545 O ALA A 37 1.804 14.210 -3.373 1.00 54.41 O ATOM 546 CB ALA A 37 1.275 11.121 -4.172 1.00 74.13 C ATOM 0 H ALA A 37 2.540 10.062 -2.431 1.00 34.20 H new ATOM 0 HA ALA A 37 3.086 12.263 -4.049 1.00 13.43 H new ATOM 0 HB1 ALA A 37 0.808 11.783 -4.901 1.00 74.13 H new ATOM 0 HB2 ALA A 37 1.760 10.295 -4.692 1.00 74.13 H new ATOM 0 HB3 ALA A 37 0.514 10.728 -3.498 1.00 74.13 H new ATOM 552 N ALA A 38 1.310 13.147 -1.465 1.00 23.10 N ATOM 553 CA ALA A 38 0.866 14.344 -0.755 1.00 73.24 C ATOM 554 C ALA A 38 1.819 15.545 -0.932 1.00 65.42 C ATOM 555 O ALA A 38 1.384 16.641 -1.298 1.00 23.30 O ATOM 556 CB ALA A 38 0.709 13.987 0.720 1.00 50.42 C ATOM 0 H ALA A 38 1.253 12.294 -0.908 1.00 23.10 H new ATOM 0 HA ALA A 38 -0.085 14.664 -1.180 1.00 73.24 H new ATOM 0 HB1 ALA A 38 0.378 14.865 1.274 1.00 50.42 H new ATOM 0 HB2 ALA A 38 -0.029 13.192 0.825 1.00 50.42 H new ATOM 0 HB3 ALA A 38 1.666 13.648 1.116 1.00 50.42 H new ATOM 562 N GLY A 39 3.123 15.348 -0.716 1.00 73.21 N ATOM 563 CA GLY A 39 4.130 16.408 -0.813 1.00 52.52 C ATOM 564 C GLY A 39 4.406 16.866 -2.244 1.00 33.14 C ATOM 565 O GLY A 39 4.994 17.924 -2.453 1.00 45.43 O ATOM 0 H GLY A 39 3.513 14.439 -0.466 1.00 73.21 H new ATOM 0 HA2 GLY A 39 3.801 17.264 -0.224 1.00 52.52 H new ATOM 0 HA3 GLY A 39 5.060 16.054 -0.369 1.00 52.52 H new ATOM 569 N LEU A 40 3.986 16.074 -3.230 1.00 2.51 N ATOM 570 CA LEU A 40 4.128 16.390 -4.648 1.00 52.24 C ATOM 571 C LEU A 40 2.986 17.284 -5.111 1.00 21.11 C ATOM 572 O LEU A 40 3.220 18.247 -5.839 1.00 12.13 O ATOM 573 CB LEU A 40 4.130 15.100 -5.473 1.00 42.45 C ATOM 574 CG LEU A 40 5.215 14.110 -5.046 1.00 23.32 C ATOM 575 CD1 LEU A 40 5.013 12.787 -5.776 1.00 10.12 C ATOM 576 CD2 LEU A 40 6.609 14.656 -5.340 1.00 25.31 C ATOM 0 H LEU A 40 3.529 15.178 -3.061 1.00 2.51 H new ATOM 0 HA LEU A 40 5.072 16.916 -4.791 1.00 52.24 H new ATOM 0 HB2 LEU A 40 3.155 14.620 -5.386 1.00 42.45 H new ATOM 0 HB3 LEU A 40 4.270 15.350 -6.525 1.00 42.45 H new ATOM 0 HG LEU A 40 5.134 13.955 -3.970 1.00 23.32 H new ATOM 0 HD11 LEU A 40 5.786 12.082 -5.472 1.00 10.12 H new ATOM 0 HD12 LEU A 40 4.033 12.380 -5.527 1.00 10.12 H new ATOM 0 HD13 LEU A 40 5.075 12.952 -6.852 1.00 10.12 H new ATOM 0 HD21 LEU A 40 7.358 13.930 -5.025 1.00 25.31 H new ATOM 0 HD22 LEU A 40 6.709 14.841 -6.410 1.00 25.31 H new ATOM 0 HD23 LEU A 40 6.757 15.589 -4.795 1.00 25.31 H new ATOM 587 N LEU A 41 1.748 16.992 -4.687 1.00 62.04 N ATOM 588 CA LEU A 41 0.627 17.915 -4.892 1.00 73.33 C ATOM 589 C LEU A 41 0.920 19.228 -4.177 1.00 72.23 C ATOM 590 O LEU A 41 0.537 20.291 -4.663 1.00 44.34 O ATOM 591 CB LEU A 41 -0.710 17.380 -4.371 1.00 24.10 C ATOM 592 CG LEU A 41 -1.366 16.225 -5.139 1.00 45.51 C ATOM 593 CD1 LEU A 41 -1.443 16.420 -6.651 1.00 73.31 C ATOM 594 CD2 LEU A 41 -0.731 14.886 -4.832 1.00 24.44 C ATOM 0 H LEU A 41 1.500 16.129 -4.203 1.00 62.04 H new ATOM 0 HA LEU A 41 0.532 18.048 -5.970 1.00 73.33 H new ATOM 0 HB2 LEU A 41 -0.563 17.056 -3.341 1.00 24.10 H new ATOM 0 HB3 LEU A 41 -1.416 18.210 -4.346 1.00 24.10 H new ATOM 0 HG LEU A 41 -2.391 16.230 -4.769 1.00 45.51 H new ATOM 0 HD11 LEU A 41 -1.922 15.553 -7.106 1.00 73.31 H new ATOM 0 HD12 LEU A 41 -2.025 17.314 -6.873 1.00 73.31 H new ATOM 0 HD13 LEU A 41 -0.437 16.533 -7.055 1.00 73.31 H new ATOM 0 HD21 LEU A 41 -1.234 14.105 -5.402 1.00 24.44 H new ATOM 0 HD22 LEU A 41 0.324 14.912 -5.105 1.00 24.44 H new ATOM 0 HD23 LEU A 41 -0.825 14.675 -3.767 1.00 24.44 H new ATOM 605 N GLY A 42 1.596 19.135 -3.035 1.00 61.24 N ATOM 606 CA GLY A 42 2.169 20.254 -2.300 1.00 41.25 C ATOM 607 C GLY A 42 1.511 20.464 -0.954 1.00 43.25 C ATOM 608 O GLY A 42 1.491 21.584 -0.450 1.00 34.31 O ATOM 0 H GLY A 42 1.765 18.239 -2.579 1.00 61.24 H new ATOM 0 HA2 GLY A 42 3.236 20.081 -2.156 1.00 41.25 H new ATOM 0 HA3 GLY A 42 2.071 21.163 -2.894 1.00 41.25 H new ATOM 612 N LYS A 43 0.951 19.399 -0.380 1.00 41.25 N ATOM 613 CA LYS A 43 0.199 19.493 0.854 1.00 74.11 C ATOM 614 C LYS A 43 1.132 19.644 2.048 1.00 5.11 C ATOM 615 O LYS A 43 2.319 19.312 1.956 1.00 64.34 O ATOM 616 CB LYS A 43 -0.674 18.241 1.020 1.00 50.43 C ATOM 617 CG LYS A 43 -1.569 17.890 -0.177 1.00 11.50 C ATOM 618 CD LYS A 43 -2.563 19.005 -0.507 1.00 35.34 C ATOM 619 CE LYS A 43 -3.264 18.759 -1.839 1.00 4.31 C ATOM 620 NZ LYS A 43 -4.254 19.825 -2.085 1.00 32.33 N ATOM 0 H LYS A 43 1.010 18.455 -0.762 1.00 41.25 H new ATOM 0 HA LYS A 43 -0.438 20.376 0.809 1.00 74.11 H new ATOM 0 HB2 LYS A 43 -0.023 17.391 1.225 1.00 50.43 H new ATOM 0 HB3 LYS A 43 -1.308 18.376 1.897 1.00 50.43 H new ATOM 0 HG2 LYS A 43 -0.945 17.693 -1.049 1.00 11.50 H new ATOM 0 HG3 LYS A 43 -2.115 16.972 0.038 1.00 11.50 H new ATOM 0 HD2 LYS A 43 -3.306 19.077 0.287 1.00 35.34 H new ATOM 0 HD3 LYS A 43 -2.040 19.961 -0.542 1.00 35.34 H new ATOM 0 HE2 LYS A 43 -2.533 18.735 -2.647 1.00 4.31 H new ATOM 0 HE3 LYS A 43 -3.757 17.787 -1.827 1.00 4.31 H new ATOM 0 HZ1 LYS A 43 -4.730 19.654 -2.994 1.00 32.33 H new ATOM 0 HZ2 LYS A 43 -4.959 19.827 -1.320 1.00 32.33 H new ATOM 0 HZ3 LYS A 43 -3.772 20.746 -2.115 1.00 32.33 H new ATOM 630 N THR A 44 0.580 20.028 3.194 1.00 4.34 N ATOM 631 CA THR A 44 1.296 20.048 4.456 1.00 32.23 C ATOM 632 C THR A 44 0.392 19.523 5.569 1.00 31.03 C ATOM 633 O THR A 44 -0.814 19.751 5.549 1.00 15.34 O ATOM 634 CB THR A 44 1.829 21.451 4.782 1.00 34.22 C ATOM 635 OG1 THR A 44 0.806 22.423 4.865 1.00 44.21 O ATOM 636 CG2 THR A 44 2.886 21.948 3.790 1.00 14.24 C ATOM 0 H THR A 44 -0.389 20.337 3.269 1.00 4.34 H new ATOM 0 HA THR A 44 2.164 19.394 4.372 1.00 32.23 H new ATOM 0 HB THR A 44 2.294 21.331 5.760 1.00 34.22 H new ATOM 0 HG1 THR A 44 1.200 23.295 5.076 1.00 44.21 H new ATOM 0 HG21 THR A 44 3.218 22.945 4.081 1.00 14.24 H new ATOM 0 HG22 THR A 44 3.737 21.267 3.793 1.00 14.24 H new ATOM 0 HG23 THR A 44 2.456 21.987 2.789 1.00 14.24 H new ATOM 644 N GLY A 45 0.974 18.856 6.564 1.00 31.00 N ATOM 645 CA GLY A 45 0.332 18.540 7.823 1.00 3.34 C ATOM 646 C GLY A 45 -0.886 17.680 7.559 1.00 3.44 C ATOM 647 O GLY A 45 -0.776 16.605 6.966 1.00 64.12 O ATOM 0 H GLY A 45 1.933 18.514 6.507 1.00 31.00 H new ATOM 0 HA2 GLY A 45 1.028 18.015 8.478 1.00 3.34 H new ATOM 0 HA3 GLY A 45 0.041 19.456 8.336 1.00 3.34 H new ATOM 651 N ASP A 46 -2.046 18.137 8.012 1.00 60.15 N ATOM 652 CA ASP A 46 -3.247 17.332 7.919 1.00 75.23 C ATOM 653 C ASP A 46 -3.831 17.297 6.511 1.00 33.20 C ATOM 654 O ASP A 46 -4.407 16.275 6.148 1.00 73.35 O ATOM 655 CB ASP A 46 -4.316 17.741 8.944 1.00 35.40 C ATOM 656 CG ASP A 46 -4.550 19.247 9.005 1.00 44.41 C ATOM 657 OD1 ASP A 46 -3.766 19.906 9.723 1.00 23.00 O ATOM 658 OD2 ASP A 46 -5.495 19.792 8.391 1.00 1.34 O ATOM 0 H ASP A 46 -2.176 19.052 8.443 1.00 60.15 H new ATOM 0 HA ASP A 46 -2.930 16.318 8.163 1.00 75.23 H new ATOM 0 HB2 ASP A 46 -5.254 17.244 8.697 1.00 35.40 H new ATOM 0 HB3 ASP A 46 -4.018 17.387 9.931 1.00 35.40 H new ATOM 662 N ASP A 47 -3.604 18.308 5.666 1.00 34.04 N ATOM 663 CA ASP A 47 -3.968 18.242 4.249 1.00 41.13 C ATOM 664 C ASP A 47 -3.223 17.085 3.570 1.00 54.13 C ATOM 665 O ASP A 47 -3.742 16.444 2.652 1.00 62.34 O ATOM 666 CB ASP A 47 -3.585 19.553 3.531 1.00 21.32 C ATOM 667 CG ASP A 47 -4.656 20.652 3.478 1.00 51.13 C ATOM 668 OD1 ASP A 47 -5.839 20.376 3.780 1.00 11.51 O ATOM 669 OD2 ASP A 47 -4.367 21.771 2.983 1.00 61.41 O ATOM 0 H ASP A 47 -3.167 19.187 5.943 1.00 34.04 H new ATOM 0 HA ASP A 47 -5.045 18.088 4.183 1.00 41.13 H new ATOM 0 HB2 ASP A 47 -2.702 19.963 4.021 1.00 21.32 H new ATOM 0 HB3 ASP A 47 -3.298 19.309 2.508 1.00 21.32 H new ATOM 673 N ALA A 48 -1.982 16.823 3.999 1.00 11.43 N ATOM 674 CA ALA A 48 -1.161 15.754 3.456 1.00 33.12 C ATOM 675 C ALA A 48 -1.650 14.410 3.979 1.00 4.22 C ATOM 676 O ALA A 48 -1.747 13.445 3.220 1.00 55.55 O ATOM 677 CB ALA A 48 0.308 15.983 3.830 1.00 45.13 C ATOM 0 H ALA A 48 -1.524 17.356 4.738 1.00 11.43 H new ATOM 0 HA ALA A 48 -1.243 15.751 2.369 1.00 33.12 H new ATOM 0 HB1 ALA A 48 0.918 15.178 3.420 1.00 45.13 H new ATOM 0 HB2 ALA A 48 0.643 16.936 3.421 1.00 45.13 H new ATOM 0 HB3 ALA A 48 0.409 15.998 4.915 1.00 45.13 H new ATOM 683 N ARG A 49 -1.985 14.345 5.271 1.00 23.14 N ATOM 684 CA ARG A 49 -2.536 13.120 5.848 1.00 43.12 C ATOM 685 C ARG A 49 -3.838 12.763 5.150 1.00 31.04 C ATOM 686 O ARG A 49 -4.028 11.615 4.758 1.00 53.22 O ATOM 687 CB ARG A 49 -2.770 13.259 7.356 1.00 22.34 C ATOM 688 CG ARG A 49 -1.463 13.237 8.157 1.00 31.12 C ATOM 689 CD ARG A 49 -1.730 13.297 9.664 1.00 73.22 C ATOM 690 NE ARG A 49 -2.497 12.137 10.162 1.00 53.11 N ATOM 691 CZ ARG A 49 -2.676 11.843 11.454 1.00 14.23 C ATOM 692 NH1 ARG A 49 -2.054 12.539 12.391 1.00 4.33 N ATOM 693 NH2 ARG A 49 -3.447 10.824 11.799 1.00 34.01 N ATOM 0 H ARG A 49 -1.885 15.118 5.929 1.00 23.14 H new ATOM 0 HA ARG A 49 -1.809 12.322 5.698 1.00 43.12 H new ATOM 0 HB2 ARG A 49 -3.298 14.192 7.554 1.00 22.34 H new ATOM 0 HB3 ARG A 49 -3.415 12.449 7.697 1.00 22.34 H new ATOM 0 HG2 ARG A 49 -0.905 12.331 7.921 1.00 31.12 H new ATOM 0 HG3 ARG A 49 -0.840 14.081 7.862 1.00 31.12 H new ATOM 0 HD2 ARG A 49 -0.779 13.351 10.194 1.00 73.22 H new ATOM 0 HD3 ARG A 49 -2.276 14.212 9.894 1.00 73.22 H new ATOM 0 HE ARG A 49 -2.920 11.517 9.472 1.00 53.11 H new ATOM 0 HH11 ARG A 49 -1.433 13.305 12.130 1.00 4.33 H new ATOM 0 HH12 ARG A 49 -2.195 12.310 13.375 1.00 4.33 H new ATOM 0 HH21 ARG A 49 -3.904 10.264 11.080 1.00 34.01 H new ATOM 0 HH22 ARG A 49 -3.584 10.599 12.784 1.00 34.01 H new ATOM 704 N ALA A 50 -4.732 13.732 4.974 1.00 44.22 N ATOM 705 CA ALA A 50 -6.015 13.513 4.342 1.00 61.13 C ATOM 706 C ALA A 50 -5.863 13.029 2.904 1.00 21.20 C ATOM 707 O ALA A 50 -6.630 12.162 2.489 1.00 55.32 O ATOM 708 CB ALA A 50 -6.853 14.786 4.421 1.00 61.35 C ATOM 0 H ALA A 50 -4.579 14.696 5.271 1.00 44.22 H new ATOM 0 HA ALA A 50 -6.534 12.720 4.881 1.00 61.13 H new ATOM 0 HB1 ALA A 50 -7.818 14.616 3.944 1.00 61.35 H new ATOM 0 HB2 ALA A 50 -7.007 15.056 5.466 1.00 61.35 H new ATOM 0 HB3 ALA A 50 -6.333 15.596 3.910 1.00 61.35 H new ATOM 714 N TYR A 51 -4.884 13.534 2.148 1.00 13.51 N ATOM 715 CA TYR A 51 -4.609 13.030 0.811 1.00 21.32 C ATOM 716 C TYR A 51 -4.238 11.532 0.860 1.00 24.13 C ATOM 717 O TYR A 51 -4.666 10.740 0.012 1.00 63.15 O ATOM 718 CB TYR A 51 -3.498 13.881 0.184 1.00 24.34 C ATOM 719 CG TYR A 51 -3.077 13.387 -1.179 1.00 2.30 C ATOM 720 CD1 TYR A 51 -2.141 12.345 -1.273 1.00 23.12 C ATOM 721 CD2 TYR A 51 -3.668 13.912 -2.342 1.00 44.21 C ATOM 722 CE1 TYR A 51 -1.881 11.757 -2.516 1.00 5.51 C ATOM 723 CE2 TYR A 51 -3.374 13.359 -3.601 1.00 12.14 C ATOM 724 CZ TYR A 51 -2.512 12.238 -3.678 1.00 54.35 C ATOM 725 OH TYR A 51 -2.303 11.574 -4.847 1.00 30.00 O ATOM 0 H TYR A 51 -4.271 14.293 2.445 1.00 13.51 H new ATOM 0 HA TYR A 51 -5.500 13.109 0.189 1.00 21.32 H new ATOM 0 HB2 TYR A 51 -3.841 14.912 0.101 1.00 24.34 H new ATOM 0 HB3 TYR A 51 -2.633 13.885 0.847 1.00 24.34 H new ATOM 0 HD1 TYR A 51 -1.624 11.999 -0.390 1.00 23.12 H new ATOM 0 HD2 TYR A 51 -4.352 14.745 -2.268 1.00 44.21 H new ATOM 0 HE1 TYR A 51 -1.191 10.929 -2.584 1.00 5.51 H new ATOM 0 HE2 TYR A 51 -3.800 13.784 -4.498 1.00 12.14 H new ATOM 0 HH TYR A 51 -3.034 11.770 -5.470 1.00 30.00 H new ATOM 734 N ALA A 52 -3.438 11.118 1.849 1.00 1.12 N ATOM 735 CA ALA A 52 -3.066 9.717 2.028 1.00 31.01 C ATOM 736 C ALA A 52 -4.219 8.862 2.575 1.00 14.21 C ATOM 737 O ALA A 52 -4.143 7.629 2.531 1.00 42.42 O ATOM 738 CB ALA A 52 -1.846 9.613 2.951 1.00 53.51 C ATOM 0 H ALA A 52 -3.033 11.745 2.544 1.00 1.12 H new ATOM 0 HA ALA A 52 -2.819 9.322 1.043 1.00 31.01 H new ATOM 0 HB1 ALA A 52 -1.575 8.565 3.079 1.00 53.51 H new ATOM 0 HB2 ALA A 52 -1.008 10.153 2.509 1.00 53.51 H new ATOM 0 HB3 ALA A 52 -2.086 10.047 3.922 1.00 53.51 H new ATOM 744 N LEU A 53 -5.283 9.480 3.091 1.00 32.01 N ATOM 745 CA LEU A 53 -6.382 8.840 3.805 1.00 71.45 C ATOM 746 C LEU A 53 -7.677 9.117 3.048 1.00 73.23 C ATOM 747 O LEU A 53 -8.599 9.748 3.565 1.00 31.40 O ATOM 748 CB LEU A 53 -6.428 9.319 5.269 1.00 23.31 C ATOM 749 CG LEU A 53 -5.269 8.749 6.110 1.00 40.44 C ATOM 750 CD1 LEU A 53 -4.871 9.612 7.314 1.00 73.32 C ATOM 751 CD2 LEU A 53 -5.661 7.364 6.626 1.00 35.11 C ATOM 0 H LEU A 53 -5.405 10.490 3.017 1.00 32.01 H new ATOM 0 HA LEU A 53 -6.237 7.761 3.847 1.00 71.45 H new ATOM 0 HB2 LEU A 53 -6.390 10.408 5.294 1.00 23.31 H new ATOM 0 HB3 LEU A 53 -7.377 9.023 5.716 1.00 23.31 H new ATOM 0 HG LEU A 53 -4.406 8.718 5.445 1.00 40.44 H new ATOM 0 HD11 LEU A 53 -4.049 9.135 7.848 1.00 73.32 H new ATOM 0 HD12 LEU A 53 -4.556 10.596 6.968 1.00 73.32 H new ATOM 0 HD13 LEU A 53 -5.725 9.719 7.983 1.00 73.32 H new ATOM 0 HD21 LEU A 53 -4.846 6.954 7.222 1.00 35.11 H new ATOM 0 HD22 LEU A 53 -6.556 7.445 7.242 1.00 35.11 H new ATOM 0 HD23 LEU A 53 -5.861 6.704 5.782 1.00 35.11 H new ATOM 762 N THR A 54 -7.737 8.628 1.810 1.00 35.23 N ATOM 763 CA THR A 54 -8.961 8.601 1.016 1.00 22.01 C ATOM 764 C THR A 54 -8.882 7.484 -0.033 1.00 55.22 C ATOM 765 O THR A 54 -9.821 6.701 -0.172 1.00 20.32 O ATOM 766 CB THR A 54 -9.250 10.009 0.446 1.00 73.01 C ATOM 767 OG1 THR A 54 -10.396 9.995 -0.384 1.00 23.02 O ATOM 768 CG2 THR A 54 -8.084 10.660 -0.316 1.00 34.23 C ATOM 0 H THR A 54 -6.929 8.236 1.327 1.00 35.23 H new ATOM 0 HA THR A 54 -9.822 8.355 1.638 1.00 22.01 H new ATOM 0 HB THR A 54 -9.418 10.625 1.330 1.00 73.01 H new ATOM 0 HG1 THR A 54 -10.559 10.897 -0.731 1.00 23.02 H new ATOM 0 HG21 THR A 54 -8.388 11.643 -0.675 1.00 34.23 H new ATOM 0 HG22 THR A 54 -7.228 10.766 0.350 1.00 34.23 H new ATOM 0 HG23 THR A 54 -7.809 10.033 -1.164 1.00 34.23 H new ATOM 776 N VAL A 55 -7.730 7.327 -0.689 1.00 2.32 N ATOM 777 CA VAL A 55 -7.436 6.317 -1.711 1.00 62.14 C ATOM 778 C VAL A 55 -7.578 4.865 -1.205 1.00 3.23 C ATOM 779 O VAL A 55 -7.579 3.907 -1.981 1.00 74.11 O ATOM 780 CB VAL A 55 -6.019 6.636 -2.243 1.00 2.33 C ATOM 781 CG1 VAL A 55 -4.950 6.503 -1.141 1.00 1.44 C ATOM 782 CG2 VAL A 55 -5.624 5.827 -3.483 1.00 62.33 C ATOM 0 H VAL A 55 -6.931 7.936 -0.512 1.00 2.32 H new ATOM 0 HA VAL A 55 -8.172 6.371 -2.514 1.00 62.14 H new ATOM 0 HB VAL A 55 -6.064 7.678 -2.560 1.00 2.33 H new ATOM 0 HG11 VAL A 55 -3.969 6.735 -1.556 1.00 1.44 H new ATOM 0 HG12 VAL A 55 -5.175 7.196 -0.330 1.00 1.44 H new ATOM 0 HG13 VAL A 55 -4.949 5.483 -0.756 1.00 1.44 H new ATOM 0 HG21 VAL A 55 -4.618 6.107 -3.795 1.00 62.33 H new ATOM 0 HG22 VAL A 55 -5.647 4.763 -3.246 1.00 62.33 H new ATOM 0 HG23 VAL A 55 -6.326 6.034 -4.291 1.00 62.33 H new ATOM 792 N VAL A 56 -7.671 4.663 0.108 1.00 71.23 N ATOM 793 CA VAL A 56 -7.589 3.364 0.754 1.00 15.54 C ATOM 794 C VAL A 56 -8.997 2.746 0.757 1.00 44.14 C ATOM 795 O VAL A 56 -9.605 2.623 1.819 1.00 44.52 O ATOM 796 CB VAL A 56 -6.939 3.533 2.158 1.00 35.34 C ATOM 797 CG1 VAL A 56 -6.301 2.214 2.618 1.00 41.45 C ATOM 798 CG2 VAL A 56 -5.859 4.636 2.204 1.00 14.23 C ATOM 0 H VAL A 56 -7.810 5.427 0.769 1.00 71.23 H new ATOM 0 HA VAL A 56 -6.944 2.666 0.220 1.00 15.54 H new ATOM 0 HB VAL A 56 -7.750 3.828 2.824 1.00 35.34 H new ATOM 0 HG11 VAL A 56 -5.851 2.351 3.601 1.00 41.45 H new ATOM 0 HG12 VAL A 56 -7.066 1.440 2.673 1.00 41.45 H new ATOM 0 HG13 VAL A 56 -5.532 1.914 1.906 1.00 41.45 H new ATOM 0 HG21 VAL A 56 -5.447 4.700 3.211 1.00 14.23 H new ATOM 0 HG22 VAL A 56 -5.062 4.394 1.501 1.00 14.23 H new ATOM 0 HG23 VAL A 56 -6.304 5.593 1.932 1.00 14.23 H new ATOM 808 N THR A 57 -9.529 2.459 -0.441 1.00 52.41 N ATOM 809 CA THR A 57 -10.795 1.777 -0.763 1.00 31.13 C ATOM 810 C THR A 57 -11.064 1.783 -2.280 1.00 44.44 C ATOM 811 O THR A 57 -11.952 1.068 -2.739 1.00 52.35 O ATOM 812 CB THR A 57 -11.978 2.391 0.010 1.00 64.11 C ATOM 813 OG1 THR A 57 -13.167 1.638 -0.127 1.00 4.33 O ATOM 814 CG2 THR A 57 -12.279 3.848 -0.329 1.00 63.41 C ATOM 0 H THR A 57 -9.036 2.724 -1.293 1.00 52.41 H new ATOM 0 HA THR A 57 -10.695 0.739 -0.446 1.00 31.13 H new ATOM 0 HB THR A 57 -11.637 2.361 1.045 1.00 64.11 H new ATOM 0 HG1 THR A 57 -13.130 1.117 -0.956 1.00 4.33 H new ATOM 0 HG21 THR A 57 -13.126 4.192 0.264 1.00 63.41 H new ATOM 0 HG22 THR A 57 -11.406 4.461 -0.105 1.00 63.41 H new ATOM 0 HG23 THR A 57 -12.520 3.933 -1.389 1.00 63.41 H new ATOM 822 N SER A 58 -10.320 2.581 -3.053 1.00 44.11 N ATOM 823 CA SER A 58 -10.492 2.756 -4.500 1.00 0.31 C ATOM 824 C SER A 58 -11.929 3.159 -4.889 1.00 42.55 C ATOM 825 O SER A 58 -12.656 3.735 -4.074 1.00 21.42 O ATOM 826 CB SER A 58 -9.944 1.526 -5.239 1.00 14.53 C ATOM 827 OG SER A 58 -8.555 1.405 -4.979 1.00 0.34 O ATOM 0 H SER A 58 -9.556 3.142 -2.676 1.00 44.11 H new ATOM 0 HA SER A 58 -9.899 3.610 -4.827 1.00 0.31 H new ATOM 0 HB2 SER A 58 -10.467 0.627 -4.911 1.00 14.53 H new ATOM 0 HB3 SER A 58 -10.118 1.623 -6.311 1.00 14.53 H new ATOM 0 HG SER A 58 -8.267 0.487 -5.163 1.00 0.34 H new ATOM 832 N ASP A 59 -12.311 3.014 -6.164 1.00 71.12 N ATOM 833 CA ASP A 59 -13.633 3.395 -6.669 1.00 40.15 C ATOM 834 C ASP A 59 -14.635 2.284 -6.357 1.00 60.12 C ATOM 835 O ASP A 59 -15.812 2.563 -6.116 1.00 54.41 O ATOM 836 CB ASP A 59 -13.633 3.626 -8.196 1.00 22.13 C ATOM 837 CG ASP A 59 -12.352 4.245 -8.758 1.00 15.34 C ATOM 838 OD1 ASP A 59 -12.110 5.455 -8.536 1.00 60.04 O ATOM 839 OD2 ASP A 59 -11.566 3.515 -9.412 1.00 63.35 O ATOM 0 H ASP A 59 -11.701 2.623 -6.882 1.00 71.12 H new ATOM 0 HA ASP A 59 -13.908 4.329 -6.178 1.00 40.15 H new ATOM 0 HB2 ASP A 59 -13.805 2.671 -8.692 1.00 22.13 H new ATOM 0 HB3 ASP A 59 -14.473 4.273 -8.450 1.00 22.13 H new ATOM 843 N PHE A 60 -14.151 1.039 -6.418 1.00 23.21 N ATOM 844 CA PHE A 60 -14.913 -0.204 -6.475 1.00 0.54 C ATOM 845 C PHE A 60 -14.187 -1.324 -5.697 1.00 44.21 C ATOM 846 O PHE A 60 -14.478 -2.503 -5.903 1.00 20.10 O ATOM 847 CB PHE A 60 -15.106 -0.559 -7.966 1.00 62.33 C ATOM 848 CG PHE A 60 -16.278 -1.474 -8.275 1.00 3.12 C ATOM 849 CD1 PHE A 60 -17.590 -0.960 -8.263 1.00 61.43 C ATOM 850 CD2 PHE A 60 -16.069 -2.829 -8.597 1.00 52.51 C ATOM 851 CE1 PHE A 60 -18.681 -1.795 -8.567 1.00 33.40 C ATOM 852 CE2 PHE A 60 -17.161 -3.666 -8.885 1.00 40.33 C ATOM 853 CZ PHE A 60 -18.469 -3.150 -8.875 1.00 20.41 C ATOM 0 H PHE A 60 -13.146 0.866 -6.429 1.00 23.21 H new ATOM 0 HA PHE A 60 -15.887 -0.088 -6.000 1.00 0.54 H new ATOM 0 HB2 PHE A 60 -15.232 0.366 -8.528 1.00 62.33 H new ATOM 0 HB3 PHE A 60 -14.193 -1.031 -8.330 1.00 62.33 H new ATOM 0 HD1 PHE A 60 -17.759 0.079 -8.020 1.00 61.43 H new ATOM 0 HD2 PHE A 60 -15.065 -3.227 -8.623 1.00 52.51 H new ATOM 0 HE1 PHE A 60 -19.684 -1.394 -8.564 1.00 33.40 H new ATOM 0 HE2 PHE A 60 -16.995 -4.708 -9.115 1.00 40.33 H new ATOM 0 HZ PHE A 60 -19.307 -3.792 -9.103 1.00 20.41 H new ATOM 862 N ASP A 61 -13.211 -0.964 -4.853 1.00 4.31 N ATOM 863 CA ASP A 61 -12.237 -1.803 -4.132 1.00 1.12 C ATOM 864 C ASP A 61 -11.247 -2.560 -5.031 1.00 55.23 C ATOM 865 O ASP A 61 -10.103 -2.785 -4.629 1.00 33.34 O ATOM 866 CB ASP A 61 -12.913 -2.718 -3.088 1.00 73.14 C ATOM 867 CG ASP A 61 -12.648 -2.267 -1.663 1.00 60.24 C ATOM 868 OD1 ASP A 61 -11.471 -2.257 -1.246 1.00 73.24 O ATOM 869 OD2 ASP A 61 -13.622 -1.975 -0.921 1.00 32.22 O ATOM 0 H ASP A 61 -13.067 0.022 -4.634 1.00 4.31 H new ATOM 0 HA ASP A 61 -11.614 -1.095 -3.586 1.00 1.12 H new ATOM 0 HB2 ASP A 61 -13.988 -2.735 -3.266 1.00 73.14 H new ATOM 0 HB3 ASP A 61 -12.552 -3.739 -3.216 1.00 73.14 H new ATOM 873 N GLU A 62 -11.620 -2.880 -6.271 1.00 62.21 N ATOM 874 CA GLU A 62 -10.831 -3.686 -7.197 1.00 21.20 C ATOM 875 C GLU A 62 -10.501 -2.880 -8.471 1.00 3.24 C ATOM 876 O GLU A 62 -11.182 -3.041 -9.484 1.00 12.13 O ATOM 877 CB GLU A 62 -11.605 -4.981 -7.493 1.00 12.23 C ATOM 878 CG GLU A 62 -10.733 -5.983 -8.267 1.00 35.23 C ATOM 879 CD GLU A 62 -11.528 -7.032 -9.047 1.00 32.04 C ATOM 880 OE1 GLU A 62 -12.768 -7.138 -8.892 1.00 72.03 O ATOM 881 OE2 GLU A 62 -10.877 -7.780 -9.812 1.00 72.02 O ATOM 0 H GLU A 62 -12.508 -2.574 -6.669 1.00 62.21 H new ATOM 0 HA GLU A 62 -9.872 -3.954 -6.754 1.00 21.20 H new ATOM 0 HB2 GLU A 62 -11.938 -5.431 -6.558 1.00 12.23 H new ATOM 0 HB3 GLU A 62 -12.499 -4.750 -8.072 1.00 12.23 H new ATOM 0 HG2 GLU A 62 -10.097 -5.434 -8.962 1.00 35.23 H new ATOM 0 HG3 GLU A 62 -10.073 -6.492 -7.565 1.00 35.23 H new ATOM 886 N PRO A 63 -9.474 -2.007 -8.468 1.00 74.05 N ATOM 887 CA PRO A 63 -9.121 -1.205 -9.639 1.00 44.35 C ATOM 888 C PRO A 63 -8.404 -2.004 -10.737 1.00 53.23 C ATOM 889 O PRO A 63 -8.516 -1.673 -11.914 1.00 44.52 O ATOM 890 CB PRO A 63 -8.233 -0.080 -9.098 1.00 12.32 C ATOM 891 CG PRO A 63 -7.562 -0.714 -7.878 1.00 62.14 C ATOM 892 CD PRO A 63 -8.651 -1.638 -7.328 1.00 20.02 C ATOM 0 HA PRO A 63 -10.020 -0.832 -10.129 1.00 44.35 H new ATOM 0 HB2 PRO A 63 -7.500 0.244 -9.837 1.00 12.32 H new ATOM 0 HB3 PRO A 63 -8.818 0.798 -8.824 1.00 12.32 H new ATOM 0 HG2 PRO A 63 -6.664 -1.267 -8.153 1.00 62.14 H new ATOM 0 HG3 PRO A 63 -7.262 0.037 -7.147 1.00 62.14 H new ATOM 0 HD2 PRO A 63 -8.215 -2.520 -6.859 1.00 20.02 H new ATOM 0 HD3 PRO A 63 -9.244 -1.132 -6.566 1.00 20.02 H new ATOM 897 N GLY A 64 -7.677 -3.054 -10.356 1.00 33.11 N ATOM 898 CA GLY A 64 -6.802 -3.828 -11.229 1.00 74.42 C ATOM 899 C GLY A 64 -5.329 -3.478 -11.005 1.00 3.53 C ATOM 900 O GLY A 64 -4.989 -2.550 -10.268 1.00 44.21 O ATOM 0 H GLY A 64 -7.683 -3.399 -9.396 1.00 33.11 H new ATOM 0 HA2 GLY A 64 -6.955 -4.892 -11.048 1.00 74.42 H new ATOM 0 HA3 GLY A 64 -7.067 -3.640 -12.270 1.00 74.42 H new ATOM 904 N ASP A 65 -4.446 -4.252 -11.636 1.00 54.21 N ATOM 905 CA ASP A 65 -3.004 -4.293 -11.382 1.00 72.25 C ATOM 906 C ASP A 65 -2.292 -3.097 -12.007 1.00 74.11 C ATOM 907 O ASP A 65 -1.356 -2.533 -11.428 1.00 74.13 O ATOM 908 CB ASP A 65 -2.400 -5.577 -11.982 1.00 12.50 C ATOM 909 CG ASP A 65 -2.828 -6.836 -11.241 1.00 63.34 C ATOM 910 OD1 ASP A 65 -2.354 -7.037 -10.101 1.00 11.44 O ATOM 911 OD2 ASP A 65 -3.692 -7.589 -11.738 1.00 12.21 O ATOM 0 H ASP A 65 -4.729 -4.898 -12.373 1.00 54.21 H new ATOM 0 HA ASP A 65 -2.864 -4.269 -10.301 1.00 72.25 H new ATOM 0 HB2 ASP A 65 -2.697 -5.658 -13.027 1.00 12.50 H new ATOM 0 HB3 ASP A 65 -1.313 -5.503 -11.965 1.00 12.50 H new ATOM 915 N GLU A 66 -2.704 -2.714 -13.216 1.00 13.30 N ATOM 916 CA GLU A 66 -2.087 -1.614 -13.944 1.00 54.52 C ATOM 917 C GLU A 66 -2.876 -0.314 -13.769 1.00 64.43 C ATOM 918 O GLU A 66 -2.329 0.744 -14.064 1.00 65.04 O ATOM 919 CB GLU A 66 -1.955 -1.966 -15.437 1.00 63.33 C ATOM 920 CG GLU A 66 -0.862 -3.004 -15.751 1.00 10.52 C ATOM 921 CD GLU A 66 0.548 -2.401 -15.775 1.00 41.21 C ATOM 922 OE1 GLU A 66 0.974 -1.798 -14.759 1.00 25.41 O ATOM 923 OE2 GLU A 66 1.248 -2.534 -16.810 1.00 14.23 O ATOM 0 H GLU A 66 -3.474 -3.160 -13.714 1.00 13.30 H new ATOM 0 HA GLU A 66 -1.091 -1.457 -13.529 1.00 54.52 H new ATOM 0 HB2 GLU A 66 -2.912 -2.345 -15.795 1.00 63.33 H new ATOM 0 HB3 GLU A 66 -1.744 -1.054 -15.996 1.00 63.33 H new ATOM 0 HG2 GLU A 66 -0.899 -3.799 -15.006 1.00 10.52 H new ATOM 0 HG3 GLU A 66 -1.071 -3.463 -16.717 1.00 10.52 H new ATOM 928 N ASP A 67 -4.121 -0.357 -13.280 1.00 22.24 N ATOM 929 CA ASP A 67 -5.078 0.739 -13.498 1.00 15.52 C ATOM 930 C ASP A 67 -4.940 1.821 -12.431 1.00 44.23 C ATOM 931 O ASP A 67 -5.124 3.005 -12.699 1.00 75.41 O ATOM 932 CB ASP A 67 -6.525 0.210 -13.528 1.00 0.52 C ATOM 933 CG ASP A 67 -7.321 0.765 -14.700 1.00 63.03 C ATOM 934 OD1 ASP A 67 -6.815 0.659 -15.843 1.00 60.45 O ATOM 935 OD2 ASP A 67 -8.484 1.191 -14.530 1.00 72.12 O ATOM 0 H ASP A 67 -4.490 -1.135 -12.733 1.00 22.24 H new ATOM 0 HA ASP A 67 -4.846 1.182 -14.466 1.00 15.52 H new ATOM 0 HB2 ASP A 67 -6.510 -0.878 -13.585 1.00 0.52 H new ATOM 0 HB3 ASP A 67 -7.025 0.473 -12.596 1.00 0.52 H new ATOM 939 N VAL A 68 -4.521 1.428 -11.228 1.00 33.01 N ATOM 940 CA VAL A 68 -4.218 2.309 -10.104 1.00 54.52 C ATOM 941 C VAL A 68 -3.197 3.399 -10.490 1.00 73.22 C ATOM 942 O VAL A 68 -3.159 4.473 -9.884 1.00 10.13 O ATOM 943 CB VAL A 68 -3.745 1.395 -8.952 1.00 44.32 C ATOM 944 CG1 VAL A 68 -2.309 0.921 -9.188 1.00 61.15 C ATOM 945 CG2 VAL A 68 -3.856 2.048 -7.568 1.00 23.42 C ATOM 0 H VAL A 68 -4.378 0.444 -11.002 1.00 33.01 H new ATOM 0 HA VAL A 68 -5.096 2.873 -9.787 1.00 54.52 H new ATOM 0 HB VAL A 68 -4.421 0.540 -8.954 1.00 44.32 H new ATOM 0 HG11 VAL A 68 -1.998 0.279 -8.364 1.00 61.15 H new ATOM 0 HG12 VAL A 68 -2.259 0.362 -10.122 1.00 61.15 H new ATOM 0 HG13 VAL A 68 -1.646 1.784 -9.246 1.00 61.15 H new ATOM 0 HG21 VAL A 68 -3.507 1.350 -6.807 1.00 23.42 H new ATOM 0 HG22 VAL A 68 -3.244 2.950 -7.541 1.00 23.42 H new ATOM 0 HG23 VAL A 68 -4.896 2.309 -7.371 1.00 23.42 H new ATOM 955 N PHE A 69 -2.354 3.136 -11.495 1.00 10.31 N ATOM 956 CA PHE A 69 -1.429 4.106 -12.066 1.00 3.52 C ATOM 957 C PHE A 69 -2.184 5.330 -12.556 1.00 21.31 C ATOM 958 O PHE A 69 -1.813 6.449 -12.213 1.00 71.35 O ATOM 959 CB PHE A 69 -0.673 3.470 -13.232 1.00 10.33 C ATOM 960 CG PHE A 69 0.013 4.469 -14.127 1.00 12.12 C ATOM 961 CD1 PHE A 69 1.301 4.939 -13.814 1.00 30.11 C ATOM 962 CD2 PHE A 69 -0.661 4.954 -15.267 1.00 70.25 C ATOM 963 CE1 PHE A 69 1.880 5.913 -14.630 1.00 34.14 C ATOM 964 CE2 PHE A 69 -0.047 5.903 -16.095 1.00 33.31 C ATOM 965 CZ PHE A 69 1.227 6.394 -15.775 1.00 53.12 C ATOM 0 H PHE A 69 -2.299 2.220 -11.940 1.00 10.31 H new ATOM 0 HA PHE A 69 -0.721 4.413 -11.296 1.00 3.52 H new ATOM 0 HB2 PHE A 69 0.071 2.779 -12.837 1.00 10.33 H new ATOM 0 HB3 PHE A 69 -1.371 2.881 -13.828 1.00 10.33 H new ATOM 0 HD1 PHE A 69 1.833 4.553 -12.957 1.00 30.11 H new ATOM 0 HD2 PHE A 69 -1.652 4.593 -15.502 1.00 70.25 H new ATOM 0 HE1 PHE A 69 2.853 6.305 -14.374 1.00 34.14 H new ATOM 0 HE2 PHE A 69 -0.555 6.256 -16.980 1.00 33.31 H new ATOM 0 HZ PHE A 69 1.700 7.134 -16.403 1.00 53.12 H new ATOM 974 N ARG A 70 -3.241 5.120 -13.342 1.00 62.33 N ATOM 975 CA ARG A 70 -3.984 6.186 -13.992 1.00 65.34 C ATOM 976 C ARG A 70 -4.545 7.163 -12.964 1.00 53.44 C ATOM 977 O ARG A 70 -4.757 8.332 -13.292 1.00 52.41 O ATOM 978 CB ARG A 70 -5.077 5.534 -14.858 1.00 3.20 C ATOM 979 CG ARG A 70 -5.945 6.562 -15.583 1.00 41.23 C ATOM 980 CD ARG A 70 -7.069 5.942 -16.412 1.00 33.44 C ATOM 981 NE ARG A 70 -6.581 5.327 -17.649 1.00 20.04 N ATOM 982 CZ ARG A 70 -6.396 5.944 -18.818 1.00 72.25 C ATOM 983 NH1 ARG A 70 -6.415 7.272 -18.922 1.00 63.05 N ATOM 984 NH2 ARG A 70 -6.221 5.222 -19.914 1.00 4.14 N ATOM 0 H ARG A 70 -3.606 4.189 -13.544 1.00 62.33 H new ATOM 0 HA ARG A 70 -3.333 6.780 -14.634 1.00 65.34 H new ATOM 0 HB2 ARG A 70 -4.610 4.877 -15.591 1.00 3.20 H new ATOM 0 HB3 ARG A 70 -5.710 4.910 -14.228 1.00 3.20 H new ATOM 0 HG2 ARG A 70 -6.379 7.240 -14.849 1.00 41.23 H new ATOM 0 HG3 ARG A 70 -5.312 7.162 -16.237 1.00 41.23 H new ATOM 0 HD2 ARG A 70 -7.584 5.190 -15.815 1.00 33.44 H new ATOM 0 HD3 ARG A 70 -7.802 6.711 -16.657 1.00 33.44 H new ATOM 0 HE ARG A 70 -6.362 4.332 -17.613 1.00 20.04 H new ATOM 0 HH11 ARG A 70 -6.574 7.846 -18.094 1.00 63.05 H new ATOM 0 HH12 ARG A 70 -6.270 7.715 -19.830 1.00 63.05 H new ATOM 0 HH21 ARG A 70 -6.228 4.203 -19.860 1.00 4.14 H new ATOM 0 HH22 ARG A 70 -6.079 5.684 -20.812 1.00 4.14 H new ATOM 995 N LYS A 71 -4.777 6.725 -11.720 1.00 31.23 N ATOM 996 CA LYS A 71 -5.298 7.640 -10.707 1.00 71.21 C ATOM 997 C LYS A 71 -4.182 8.494 -10.115 1.00 32.40 C ATOM 998 O LYS A 71 -4.413 9.652 -9.765 1.00 55.25 O ATOM 999 CB LYS A 71 -6.049 6.840 -9.645 1.00 2.40 C ATOM 1000 CG LYS A 71 -6.939 7.762 -8.795 1.00 24.21 C ATOM 1001 CD LYS A 71 -8.057 6.978 -8.106 1.00 24.43 C ATOM 1002 CE LYS A 71 -9.220 6.674 -9.056 1.00 51.41 C ATOM 1003 NZ LYS A 71 -10.251 7.732 -9.043 1.00 75.03 N ATOM 0 H LYS A 71 -4.617 5.770 -11.400 1.00 31.23 H new ATOM 0 HA LYS A 71 -6.001 8.335 -11.167 1.00 71.21 H new ATOM 0 HB2 LYS A 71 -6.662 6.076 -10.124 1.00 2.40 H new ATOM 0 HB3 LYS A 71 -5.337 6.321 -9.003 1.00 2.40 H new ATOM 0 HG2 LYS A 71 -6.331 8.267 -8.045 1.00 24.21 H new ATOM 0 HG3 LYS A 71 -7.372 8.537 -9.428 1.00 24.21 H new ATOM 0 HD2 LYS A 71 -7.655 6.043 -7.715 1.00 24.43 H new ATOM 0 HD3 LYS A 71 -8.426 7.548 -7.253 1.00 24.43 H new ATOM 0 HE2 LYS A 71 -8.836 6.557 -10.070 1.00 51.41 H new ATOM 0 HE3 LYS A 71 -9.675 5.724 -8.776 1.00 51.41 H new ATOM 0 HZ1 LYS A 71 -11.185 7.305 -8.877 1.00 75.03 H new ATOM 0 HZ2 LYS A 71 -10.041 8.412 -8.284 1.00 75.03 H new ATOM 0 HZ3 LYS A 71 -10.254 8.225 -9.959 1.00 75.03 H new ATOM 1013 N LEU A 72 -2.978 7.942 -9.998 1.00 2.54 N ATOM 1014 CA LEU A 72 -1.795 8.672 -9.541 1.00 70.15 C ATOM 1015 C LEU A 72 -1.315 9.637 -10.623 1.00 11.33 C ATOM 1016 O LEU A 72 -1.086 10.803 -10.323 1.00 2.42 O ATOM 1017 CB LEU A 72 -0.672 7.696 -9.146 1.00 1.42 C ATOM 1018 CG LEU A 72 -0.679 7.224 -7.682 1.00 21.14 C ATOM 1019 CD1 LEU A 72 -0.129 8.311 -6.764 1.00 25.12 C ATOM 1020 CD2 LEU A 72 -2.040 6.717 -7.192 1.00 34.02 C ATOM 0 H LEU A 72 -2.792 6.964 -10.220 1.00 2.54 H new ATOM 0 HA LEU A 72 -2.067 9.251 -8.658 1.00 70.15 H new ATOM 0 HB2 LEU A 72 -0.735 6.819 -9.791 1.00 1.42 H new ATOM 0 HB3 LEU A 72 0.287 8.173 -9.349 1.00 1.42 H new ATOM 0 HG LEU A 72 -0.020 6.356 -7.644 1.00 21.14 H new ATOM 0 HD11 LEU A 72 -0.142 7.958 -5.733 1.00 25.12 H new ATOM 0 HD12 LEU A 72 0.895 8.548 -7.053 1.00 25.12 H new ATOM 0 HD13 LEU A 72 -0.746 9.206 -6.849 1.00 25.12 H new ATOM 0 HD21 LEU A 72 -1.958 6.404 -6.151 1.00 34.02 H new ATOM 0 HD22 LEU A 72 -2.777 7.516 -7.274 1.00 34.02 H new ATOM 0 HD23 LEU A 72 -2.354 5.870 -7.802 1.00 34.02 H new ATOM 1031 N ALA A 73 -1.179 9.194 -11.873 1.00 61.43 N ATOM 1032 CA ALA A 73 -0.661 10.018 -12.969 1.00 54.33 C ATOM 1033 C ALA A 73 -1.553 11.232 -13.259 1.00 54.24 C ATOM 1034 O ALA A 73 -1.080 12.262 -13.728 1.00 33.03 O ATOM 1035 CB ALA A 73 -0.484 9.141 -14.213 1.00 3.53 C ATOM 0 H ALA A 73 -1.427 8.246 -12.157 1.00 61.43 H new ATOM 0 HA ALA A 73 0.306 10.423 -12.670 1.00 54.33 H new ATOM 0 HB1 ALA A 73 -0.099 9.747 -15.033 1.00 3.53 H new ATOM 0 HB2 ALA A 73 0.219 8.337 -13.994 1.00 3.53 H new ATOM 0 HB3 ALA A 73 -1.446 8.715 -14.497 1.00 3.53 H new ATOM 1041 N ALA A 74 -2.851 11.136 -12.964 1.00 3.52 N ATOM 1042 CA ALA A 74 -3.788 12.249 -13.079 1.00 70.04 C ATOM 1043 C ALA A 74 -3.789 13.179 -11.856 1.00 35.41 C ATOM 1044 O ALA A 74 -4.341 14.280 -11.921 1.00 23.22 O ATOM 1045 CB ALA A 74 -5.160 11.649 -13.328 1.00 73.01 C ATOM 0 H ALA A 74 -3.283 10.273 -12.635 1.00 3.52 H new ATOM 0 HA ALA A 74 -3.483 12.891 -13.905 1.00 70.04 H new ATOM 0 HB1 ALA A 74 -5.895 12.448 -13.421 1.00 73.01 H new ATOM 0 HB2 ALA A 74 -5.140 11.065 -14.248 1.00 73.01 H new ATOM 0 HB3 ALA A 74 -5.431 11.002 -12.494 1.00 73.01 H new ATOM 1051 N ASP A 75 -3.162 12.771 -10.752 1.00 63.04 N ATOM 1052 CA ASP A 75 -2.887 13.642 -9.614 1.00 11.30 C ATOM 1053 C ASP A 75 -1.557 14.336 -9.870 1.00 33.23 C ATOM 1054 O ASP A 75 -1.518 15.560 -9.965 1.00 43.23 O ATOM 1055 CB ASP A 75 -2.848 12.857 -8.286 1.00 10.51 C ATOM 1056 CG ASP A 75 -4.076 13.066 -7.400 1.00 34.30 C ATOM 1057 OD1 ASP A 75 -4.952 13.910 -7.684 1.00 41.54 O ATOM 1058 OD2 ASP A 75 -4.229 12.293 -6.429 1.00 22.00 O ATOM 0 H ASP A 75 -2.828 11.816 -10.624 1.00 63.04 H new ATOM 0 HA ASP A 75 -3.688 14.374 -9.515 1.00 11.30 H new ATOM 0 HB2 ASP A 75 -2.750 11.794 -8.508 1.00 10.51 H new ATOM 0 HB3 ASP A 75 -1.958 13.150 -7.729 1.00 10.51 H new ATOM 1062 N LEU A 76 -0.468 13.576 -10.023 1.00 2.44 N ATOM 1063 CA LEU A 76 0.880 14.110 -10.181 1.00 61.14 C ATOM 1064 C LEU A 76 1.182 14.522 -11.626 1.00 74.11 C ATOM 1065 O LEU A 76 2.342 14.504 -12.033 1.00 5.41 O ATOM 1066 CB LEU A 76 1.939 13.116 -9.683 1.00 61.01 C ATOM 1067 CG LEU A 76 1.866 12.634 -8.230 1.00 3.44 C ATOM 1068 CD1 LEU A 76 1.368 13.707 -7.258 1.00 62.35 C ATOM 1069 CD2 LEU A 76 1.050 11.359 -8.079 1.00 74.43 C ATOM 0 H LEU A 76 -0.504 12.557 -10.040 1.00 2.44 H new ATOM 0 HA LEU A 76 0.925 15.008 -9.566 1.00 61.14 H new ATOM 0 HB2 LEU A 76 1.896 12.237 -10.326 1.00 61.01 H new ATOM 0 HB3 LEU A 76 2.918 13.573 -9.832 1.00 61.01 H new ATOM 0 HG LEU A 76 2.898 12.409 -7.959 1.00 3.44 H new ATOM 0 HD11 LEU A 76 1.341 13.298 -6.248 1.00 62.35 H new ATOM 0 HD12 LEU A 76 2.042 14.563 -7.285 1.00 62.35 H new ATOM 0 HD13 LEU A 76 0.366 14.024 -7.548 1.00 62.35 H new ATOM 0 HD21 LEU A 76 1.031 11.061 -7.031 1.00 74.43 H new ATOM 0 HD22 LEU A 76 0.032 11.536 -8.425 1.00 74.43 H new ATOM 0 HD23 LEU A 76 1.502 10.565 -8.673 1.00 74.43 H new ATOM 1080 N GLU A 77 0.161 14.898 -12.390 1.00 52.21 N ATOM 1081 CA GLU A 77 0.264 15.484 -13.716 1.00 45.41 C ATOM 1082 C GLU A 77 1.257 16.652 -13.633 1.00 52.41 C ATOM 1083 O GLU A 77 0.959 17.654 -12.980 1.00 13.31 O ATOM 1084 CB GLU A 77 -1.144 15.949 -14.131 1.00 1.10 C ATOM 1085 CG GLU A 77 -1.207 16.465 -15.578 1.00 53.43 C ATOM 1086 CD GLU A 77 -2.331 17.480 -15.844 1.00 30.33 C ATOM 1087 OE1 GLU A 77 -3.235 17.677 -14.998 1.00 61.12 O ATOM 1088 OE2 GLU A 77 -2.263 18.125 -16.916 1.00 33.43 O ATOM 0 H GLU A 77 -0.806 14.796 -12.083 1.00 52.21 H new ATOM 0 HA GLU A 77 0.627 14.777 -14.463 1.00 45.41 H new ATOM 0 HB2 GLU A 77 -1.842 15.120 -14.017 1.00 1.10 H new ATOM 0 HB3 GLU A 77 -1.473 16.739 -13.455 1.00 1.10 H new ATOM 0 HG2 GLU A 77 -0.251 16.926 -15.828 1.00 53.43 H new ATOM 0 HG3 GLU A 77 -1.336 15.615 -16.248 1.00 53.43 H new ATOM 1093 N GLY A 78 2.446 16.500 -14.214 1.00 63.32 N ATOM 1094 CA GLY A 78 3.486 17.516 -14.198 1.00 42.55 C ATOM 1095 C GLY A 78 4.263 17.607 -12.882 1.00 32.41 C ATOM 1096 O GLY A 78 4.962 18.598 -12.673 1.00 13.20 O ATOM 0 H GLY A 78 2.714 15.653 -14.716 1.00 63.32 H new ATOM 0 HA2 GLY A 78 4.188 17.312 -15.007 1.00 42.55 H new ATOM 0 HA3 GLY A 78 3.033 18.485 -14.406 1.00 42.55 H new ATOM 1100 N LYS A 79 4.157 16.635 -11.965 1.00 25.12 N ATOM 1101 CA LYS A 79 4.986 16.577 -10.757 1.00 10.11 C ATOM 1102 C LYS A 79 5.734 15.258 -10.648 1.00 52.41 C ATOM 1103 O LYS A 79 6.859 15.252 -10.140 1.00 33.01 O ATOM 1104 CB LYS A 79 4.186 16.798 -9.469 1.00 52.31 C ATOM 1105 CG LYS A 79 3.468 18.148 -9.386 1.00 21.20 C ATOM 1106 CD LYS A 79 2.080 18.116 -10.036 1.00 2.12 C ATOM 1107 CE LYS A 79 1.022 18.684 -9.084 1.00 41.12 C ATOM 1108 NZ LYS A 79 0.852 20.142 -9.261 1.00 24.12 N ATOM 0 H LYS A 79 3.492 15.866 -12.042 1.00 25.12 H new ATOM 0 HA LYS A 79 5.698 17.395 -10.863 1.00 10.11 H new ATOM 0 HB2 LYS A 79 3.447 16.002 -9.375 1.00 52.31 H new ATOM 0 HB3 LYS A 79 4.861 16.708 -8.618 1.00 52.31 H new ATOM 0 HG2 LYS A 79 3.369 18.440 -8.340 1.00 21.20 H new ATOM 0 HG3 LYS A 79 4.076 18.910 -9.873 1.00 21.20 H new ATOM 0 HD2 LYS A 79 2.092 18.694 -10.960 1.00 2.12 H new ATOM 0 HD3 LYS A 79 1.822 17.091 -10.304 1.00 2.12 H new ATOM 0 HE2 LYS A 79 0.070 18.183 -9.258 1.00 41.12 H new ATOM 0 HE3 LYS A 79 1.309 18.474 -8.054 1.00 41.12 H new ATOM 0 HZ1 LYS A 79 0.128 20.490 -8.600 1.00 24.12 H new ATOM 0 HZ2 LYS A 79 1.755 20.622 -9.071 1.00 24.12 H new ATOM 0 HZ3 LYS A 79 0.553 20.341 -10.237 1.00 24.12 H new ATOM 1118 N ALA A 80 5.129 14.142 -11.056 1.00 1.42 N ATOM 1119 CA ALA A 80 5.717 12.822 -10.954 1.00 43.14 C ATOM 1120 C ALA A 80 5.258 12.073 -12.197 1.00 50.14 C ATOM 1121 O ALA A 80 4.059 11.930 -12.420 1.00 32.43 O ATOM 1122 CB ALA A 80 5.255 12.154 -9.650 1.00 22.13 C ATOM 0 H ALA A 80 4.198 14.139 -11.474 1.00 1.42 H new ATOM 0 HA ALA A 80 6.806 12.839 -10.913 1.00 43.14 H new ATOM 0 HB1 ALA A 80 5.697 11.161 -9.573 1.00 22.13 H new ATOM 0 HB2 ALA A 80 5.571 12.759 -8.800 1.00 22.13 H new ATOM 0 HB3 ALA A 80 4.168 12.068 -9.650 1.00 22.13 H new ATOM 1128 N ASP A 81 6.196 11.670 -13.045 1.00 41.11 N ATOM 1129 CA ASP A 81 5.891 10.918 -14.257 1.00 34.23 C ATOM 1130 C ASP A 81 5.799 9.439 -13.910 1.00 11.20 C ATOM 1131 O ASP A 81 6.178 9.011 -12.814 1.00 41.13 O ATOM 1132 CB ASP A 81 6.991 11.101 -15.310 1.00 42.35 C ATOM 1133 CG ASP A 81 7.101 12.547 -15.774 1.00 54.22 C ATOM 1134 OD1 ASP A 81 7.714 13.354 -15.035 1.00 44.42 O ATOM 1135 OD2 ASP A 81 6.584 12.880 -16.866 1.00 52.55 O ATOM 0 H ASP A 81 7.190 11.855 -12.912 1.00 41.11 H new ATOM 0 HA ASP A 81 4.948 11.285 -14.663 1.00 34.23 H new ATOM 0 HB2 ASP A 81 7.947 10.779 -14.896 1.00 42.35 H new ATOM 0 HB3 ASP A 81 6.783 10.460 -16.167 1.00 42.35 H new ATOM 1139 N GLU A 82 5.390 8.634 -14.887 1.00 45.34 N ATOM 1140 CA GLU A 82 5.403 7.182 -14.833 1.00 32.40 C ATOM 1141 C GLU A 82 6.712 6.645 -14.270 1.00 51.22 C ATOM 1142 O GLU A 82 6.692 5.793 -13.382 1.00 52.43 O ATOM 1143 CB GLU A 82 5.067 6.647 -16.236 1.00 63.21 C ATOM 1144 CG GLU A 82 4.875 5.125 -16.363 1.00 64.42 C ATOM 1145 CD GLU A 82 6.162 4.282 -16.317 1.00 71.25 C ATOM 1146 OE1 GLU A 82 7.206 4.735 -16.837 1.00 11.12 O ATOM 1147 OE2 GLU A 82 6.097 3.134 -15.811 1.00 44.15 O ATOM 0 H GLU A 82 5.027 8.993 -15.770 1.00 45.34 H new ATOM 0 HA GLU A 82 4.644 6.823 -14.138 1.00 32.40 H new ATOM 0 HB2 GLU A 82 4.155 7.136 -16.578 1.00 63.21 H new ATOM 0 HB3 GLU A 82 5.864 6.948 -16.916 1.00 63.21 H new ATOM 0 HG2 GLU A 82 4.216 4.793 -15.561 1.00 64.42 H new ATOM 0 HG3 GLU A 82 4.362 4.920 -17.302 1.00 64.42 H new ATOM 1152 N GLU A 83 7.817 7.247 -14.696 1.00 31.31 N ATOM 1153 CA GLU A 83 9.177 6.890 -14.352 1.00 33.24 C ATOM 1154 C GLU A 83 9.451 6.835 -12.840 1.00 1.53 C ATOM 1155 O GLU A 83 10.359 6.111 -12.435 1.00 31.24 O ATOM 1156 CB GLU A 83 10.071 7.912 -15.061 1.00 10.50 C ATOM 1157 CG GLU A 83 11.550 7.526 -15.066 1.00 11.54 C ATOM 1158 CD GLU A 83 12.274 8.338 -16.128 1.00 45.32 C ATOM 1159 OE1 GLU A 83 12.202 7.917 -17.307 1.00 22.14 O ATOM 1160 OE2 GLU A 83 12.883 9.375 -15.788 1.00 12.52 O ATOM 0 H GLU A 83 7.778 8.046 -15.329 1.00 31.31 H new ATOM 0 HA GLU A 83 9.383 5.871 -14.680 1.00 33.24 H new ATOM 0 HB2 GLU A 83 9.730 8.029 -16.090 1.00 10.50 H new ATOM 0 HB3 GLU A 83 9.958 8.881 -14.575 1.00 10.50 H new ATOM 0 HG2 GLU A 83 11.990 7.712 -14.086 1.00 11.54 H new ATOM 0 HG3 GLU A 83 11.660 6.461 -15.268 1.00 11.54 H new ATOM 1165 N THR A 84 8.661 7.541 -12.019 1.00 3.24 N ATOM 1166 CA THR A 84 8.766 7.551 -10.560 1.00 12.32 C ATOM 1167 C THR A 84 7.493 6.990 -9.914 1.00 3.22 C ATOM 1168 O THR A 84 7.569 6.270 -8.921 1.00 65.03 O ATOM 1169 CB THR A 84 9.129 8.974 -10.100 1.00 33.22 C ATOM 1170 OG1 THR A 84 9.594 8.997 -8.762 1.00 25.30 O ATOM 1171 CG2 THR A 84 8.017 10.007 -10.238 1.00 45.23 C ATOM 0 H THR A 84 7.910 8.138 -12.366 1.00 3.24 H new ATOM 0 HA THR A 84 9.565 6.889 -10.227 1.00 12.32 H new ATOM 0 HB THR A 84 9.922 9.261 -10.791 1.00 33.22 H new ATOM 0 HG1 THR A 84 9.815 9.917 -8.508 1.00 25.30 H new ATOM 0 HG21 THR A 84 8.374 10.975 -9.887 1.00 45.23 H new ATOM 0 HG22 THR A 84 7.722 10.086 -11.284 1.00 45.23 H new ATOM 0 HG23 THR A 84 7.158 9.699 -9.641 1.00 45.23 H new ATOM 1179 N ILE A 85 6.320 7.255 -10.497 1.00 1.11 N ATOM 1180 CA ILE A 85 5.029 6.718 -10.043 1.00 21.32 C ATOM 1181 C ILE A 85 5.113 5.201 -9.977 1.00 45.15 C ATOM 1182 O ILE A 85 5.001 4.603 -8.905 1.00 24.24 O ATOM 1183 CB ILE A 85 3.876 7.178 -10.969 1.00 22.14 C ATOM 1184 CG1 ILE A 85 3.613 8.690 -10.781 1.00 71.12 C ATOM 1185 CG2 ILE A 85 2.548 6.429 -10.732 1.00 63.35 C ATOM 1186 CD1 ILE A 85 2.586 9.264 -11.763 1.00 10.44 C ATOM 0 H ILE A 85 6.237 7.860 -11.314 1.00 1.11 H new ATOM 0 HA ILE A 85 4.811 7.105 -9.047 1.00 21.32 H new ATOM 0 HB ILE A 85 4.208 6.951 -11.982 1.00 22.14 H new ATOM 0 HG12 ILE A 85 3.266 8.865 -9.763 1.00 71.12 H new ATOM 0 HG13 ILE A 85 4.553 9.230 -10.895 1.00 71.12 H new ATOM 0 HG21 ILE A 85 1.790 6.807 -11.418 1.00 63.35 H new ATOM 0 HG22 ILE A 85 2.695 5.363 -10.906 1.00 63.35 H new ATOM 0 HG23 ILE A 85 2.219 6.587 -9.705 1.00 63.35 H new ATOM 0 HD11 ILE A 85 2.454 10.329 -11.570 1.00 10.44 H new ATOM 0 HD12 ILE A 85 2.940 9.121 -12.784 1.00 10.44 H new ATOM 0 HD13 ILE A 85 1.633 8.751 -11.634 1.00 10.44 H new ATOM 1197 N ARG A 86 5.294 4.563 -11.134 1.00 41.34 N ATOM 1198 CA ARG A 86 5.344 3.115 -11.201 1.00 74.41 C ATOM 1199 C ARG A 86 6.500 2.616 -10.348 1.00 4.11 C ATOM 1200 O ARG A 86 6.337 1.599 -9.680 1.00 44.42 O ATOM 1201 CB ARG A 86 5.467 2.679 -12.664 1.00 33.42 C ATOM 1202 CG ARG A 86 4.099 2.478 -13.342 1.00 30.02 C ATOM 1203 CD ARG A 86 3.953 1.027 -13.793 1.00 72.05 C ATOM 1204 NE ARG A 86 4.891 0.707 -14.881 1.00 73.24 N ATOM 1205 CZ ARG A 86 5.078 -0.506 -15.416 1.00 52.21 C ATOM 1206 NH1 ARG A 86 4.249 -1.513 -15.135 1.00 65.31 N ATOM 1207 NH2 ARG A 86 6.123 -0.732 -16.191 1.00 22.13 N ATOM 0 H ARG A 86 5.408 5.032 -12.033 1.00 41.34 H new ATOM 0 HA ARG A 86 4.428 2.677 -10.805 1.00 74.41 H new ATOM 0 HB2 ARG A 86 6.034 3.429 -13.216 1.00 33.42 H new ATOM 0 HB3 ARG A 86 6.033 1.749 -12.715 1.00 33.42 H new ATOM 0 HG2 ARG A 86 3.298 2.735 -12.649 1.00 30.02 H new ATOM 0 HG3 ARG A 86 4.006 3.146 -14.199 1.00 30.02 H new ATOM 0 HD2 ARG A 86 4.132 0.362 -12.948 1.00 72.05 H new ATOM 0 HD3 ARG A 86 2.931 0.849 -14.127 1.00 72.05 H new ATOM 0 HE ARG A 86 5.446 1.475 -15.260 1.00 73.24 H new ATOM 0 HH11 ARG A 86 3.461 -1.364 -14.505 1.00 65.31 H new ATOM 0 HH12 ARG A 86 4.404 -2.432 -15.550 1.00 65.31 H new ATOM 0 HH21 ARG A 86 6.788 0.018 -16.382 1.00 22.13 H new ATOM 0 HH22 ARG A 86 6.265 -1.656 -16.599 1.00 22.13 H new ATOM 1218 N ALA A 87 7.598 3.370 -10.291 1.00 71.23 N ATOM 1219 CA ALA A 87 8.751 2.995 -9.476 1.00 50.55 C ATOM 1220 C ALA A 87 8.356 2.867 -8.002 1.00 72.15 C ATOM 1221 O ALA A 87 8.614 1.836 -7.375 1.00 42.23 O ATOM 1222 CB ALA A 87 9.921 3.965 -9.673 1.00 5.40 C ATOM 0 H ALA A 87 7.712 4.246 -10.801 1.00 71.23 H new ATOM 0 HA ALA A 87 9.095 2.017 -9.811 1.00 50.55 H new ATOM 0 HB1 ALA A 87 10.760 3.654 -9.051 1.00 5.40 H new ATOM 0 HB2 ALA A 87 10.224 3.961 -10.720 1.00 5.40 H new ATOM 0 HB3 ALA A 87 9.612 4.971 -9.389 1.00 5.40 H new ATOM 1228 N LYS A 88 7.684 3.879 -7.455 1.00 54.35 N ATOM 1229 CA LYS A 88 7.163 3.890 -6.094 1.00 2.11 C ATOM 1230 C LYS A 88 6.149 2.785 -5.907 1.00 65.14 C ATOM 1231 O LYS A 88 6.213 2.080 -4.911 1.00 30.32 O ATOM 1232 CB LYS A 88 6.510 5.239 -5.769 1.00 33.00 C ATOM 1233 CG LYS A 88 7.551 6.359 -5.608 1.00 44.14 C ATOM 1234 CD LYS A 88 7.666 6.819 -4.142 1.00 62.44 C ATOM 1235 CE LYS A 88 8.360 5.821 -3.214 1.00 41.13 C ATOM 1236 NZ LYS A 88 9.828 5.855 -3.345 1.00 23.41 N ATOM 0 H LYS A 88 7.482 4.739 -7.965 1.00 54.35 H new ATOM 0 HA LYS A 88 8.001 3.730 -5.416 1.00 2.11 H new ATOM 0 HB2 LYS A 88 5.812 5.504 -6.563 1.00 33.00 H new ATOM 0 HB3 LYS A 88 5.929 5.149 -4.851 1.00 33.00 H new ATOM 0 HG2 LYS A 88 8.522 6.007 -5.957 1.00 44.14 H new ATOM 0 HG3 LYS A 88 7.275 7.206 -6.235 1.00 44.14 H new ATOM 0 HD2 LYS A 88 8.211 7.762 -4.113 1.00 62.44 H new ATOM 0 HD3 LYS A 88 6.665 7.017 -3.758 1.00 62.44 H new ATOM 0 HE2 LYS A 88 8.085 6.038 -2.182 1.00 41.13 H new ATOM 0 HE3 LYS A 88 8.002 4.815 -3.434 1.00 41.13 H new ATOM 0 HZ1 LYS A 88 10.251 5.161 -2.696 1.00 23.41 H new ATOM 0 HZ2 LYS A 88 10.095 5.622 -4.323 1.00 23.41 H new ATOM 0 HZ3 LYS A 88 10.176 6.806 -3.109 1.00 23.41 H new ATOM 1246 N MET A 89 5.203 2.618 -6.829 1.00 65.41 N ATOM 1247 CA MET A 89 4.192 1.574 -6.723 1.00 14.44 C ATOM 1248 C MET A 89 4.852 0.209 -6.515 1.00 32.34 C ATOM 1249 O MET A 89 4.418 -0.532 -5.634 1.00 65.03 O ATOM 1250 CB MET A 89 3.262 1.634 -7.940 1.00 11.12 C ATOM 1251 CG MET A 89 2.159 0.565 -7.949 1.00 5.20 C ATOM 1252 SD MET A 89 2.617 -1.095 -8.529 1.00 1.41 S ATOM 1253 CE MET A 89 3.188 -0.783 -10.223 1.00 32.23 C ATOM 0 H MET A 89 5.118 3.199 -7.663 1.00 65.41 H new ATOM 0 HA MET A 89 3.569 1.738 -5.844 1.00 14.44 H new ATOM 0 HB2 MET A 89 2.797 2.619 -7.978 1.00 11.12 H new ATOM 0 HB3 MET A 89 3.860 1.529 -8.845 1.00 11.12 H new ATOM 0 HG2 MET A 89 1.769 0.473 -6.935 1.00 5.20 H new ATOM 0 HG3 MET A 89 1.342 0.928 -8.573 1.00 5.20 H new ATOM 0 HE1 MET A 89 3.411 -1.731 -10.712 1.00 32.23 H new ATOM 0 HE2 MET A 89 2.409 -0.262 -10.779 1.00 32.23 H new ATOM 0 HE3 MET A 89 4.088 -0.168 -10.196 1.00 32.23 H new ATOM 1261 N VAL A 90 5.917 -0.096 -7.259 1.00 34.11 N ATOM 1262 CA VAL A 90 6.684 -1.323 -7.095 1.00 24.42 C ATOM 1263 C VAL A 90 7.449 -1.297 -5.754 1.00 54.51 C ATOM 1264 O VAL A 90 7.372 -2.249 -4.977 1.00 41.24 O ATOM 1265 CB VAL A 90 7.593 -1.510 -8.326 1.00 73.42 C ATOM 1266 CG1 VAL A 90 8.410 -2.802 -8.222 1.00 23.00 C ATOM 1267 CG2 VAL A 90 6.791 -1.639 -9.631 1.00 34.13 C ATOM 0 H VAL A 90 6.271 0.511 -7.998 1.00 34.11 H new ATOM 0 HA VAL A 90 6.027 -2.191 -7.045 1.00 24.42 H new ATOM 0 HB VAL A 90 8.228 -0.624 -8.345 1.00 73.42 H new ATOM 0 HG11 VAL A 90 9.041 -2.906 -9.105 1.00 23.00 H new ATOM 0 HG12 VAL A 90 9.036 -2.766 -7.331 1.00 23.00 H new ATOM 0 HG13 VAL A 90 7.735 -3.655 -8.157 1.00 23.00 H new ATOM 0 HG21 VAL A 90 7.477 -1.769 -10.468 1.00 34.13 H new ATOM 0 HG22 VAL A 90 6.129 -2.502 -9.567 1.00 34.13 H new ATOM 0 HG23 VAL A 90 6.198 -0.737 -9.784 1.00 34.13 H new ATOM 1277 N GLU A 91 8.142 -0.212 -5.397 1.00 4.40 N ATOM 1278 CA GLU A 91 8.838 -0.073 -4.102 1.00 64.44 C ATOM 1279 C GLU A 91 7.895 -0.215 -2.899 1.00 65.03 C ATOM 1280 O GLU A 91 8.341 -0.395 -1.763 1.00 22.44 O ATOM 1281 CB GLU A 91 9.543 1.290 -4.010 1.00 65.44 C ATOM 1282 CG GLU A 91 10.870 1.342 -4.776 1.00 13.43 C ATOM 1283 CD GLU A 91 11.922 0.360 -4.247 1.00 2.52 C ATOM 1284 OE1 GLU A 91 11.882 -0.025 -3.058 1.00 45.15 O ATOM 1285 OE2 GLU A 91 12.836 -0.010 -5.024 1.00 72.44 O ATOM 0 H GLU A 91 8.240 0.605 -6.000 1.00 4.40 H new ATOM 0 HA GLU A 91 9.565 -0.884 -4.063 1.00 64.44 H new ATOM 0 HB2 GLU A 91 8.878 2.062 -4.398 1.00 65.44 H new ATOM 0 HB3 GLU A 91 9.728 1.525 -2.962 1.00 65.44 H new ATOM 0 HG2 GLU A 91 10.681 1.128 -5.828 1.00 13.43 H new ATOM 0 HG3 GLU A 91 11.271 2.354 -4.724 1.00 13.43 H new ATOM 1290 N LEU A 92 6.586 -0.154 -3.126 1.00 30.30 N ATOM 1291 CA LEU A 92 5.544 -0.162 -2.122 1.00 30.03 C ATOM 1292 C LEU A 92 4.584 -1.322 -2.386 1.00 32.32 C ATOM 1293 O LEU A 92 3.476 -1.314 -1.868 1.00 52.24 O ATOM 1294 CB LEU A 92 4.846 1.212 -2.134 1.00 74.25 C ATOM 1295 CG LEU A 92 5.790 2.409 -1.861 1.00 54.22 C ATOM 1296 CD1 LEU A 92 5.080 3.731 -2.154 1.00 51.53 C ATOM 1297 CD2 LEU A 92 6.364 2.415 -0.450 1.00 61.31 C ATOM 0 H LEU A 92 6.210 -0.094 -4.072 1.00 30.30 H new ATOM 0 HA LEU A 92 5.955 -0.320 -1.125 1.00 30.03 H new ATOM 0 HB2 LEU A 92 4.368 1.355 -3.103 1.00 74.25 H new ATOM 0 HB3 LEU A 92 4.054 1.211 -1.385 1.00 74.25 H new ATOM 0 HG LEU A 92 6.636 2.293 -2.539 1.00 54.22 H new ATOM 0 HD11 LEU A 92 5.759 4.560 -1.956 1.00 51.53 H new ATOM 0 HD12 LEU A 92 4.773 3.755 -3.199 1.00 51.53 H new ATOM 0 HD13 LEU A 92 4.201 3.821 -1.515 1.00 51.53 H new ATOM 0 HD21 LEU A 92 7.016 3.280 -0.326 1.00 61.31 H new ATOM 0 HD22 LEU A 92 5.550 2.468 0.274 1.00 61.31 H new ATOM 0 HD23 LEU A 92 6.937 1.502 -0.286 1.00 61.31 H new ATOM 1308 N ARG A 93 4.975 -2.325 -3.179 1.00 64.25 N ATOM 1309 CA ARG A 93 4.191 -3.528 -3.463 1.00 65.45 C ATOM 1310 C ARG A 93 4.713 -4.647 -2.578 1.00 50.12 C ATOM 1311 O ARG A 93 4.112 -4.909 -1.537 1.00 73.24 O ATOM 1312 CB ARG A 93 4.268 -3.835 -4.978 1.00 62.15 C ATOM 1313 CG ARG A 93 2.974 -3.770 -5.801 1.00 34.01 C ATOM 1314 CD ARG A 93 1.893 -2.828 -5.265 1.00 11.33 C ATOM 1315 NE ARG A 93 0.891 -2.552 -6.301 1.00 11.30 N ATOM 1316 CZ ARG A 93 -0.214 -3.248 -6.587 1.00 30.31 C ATOM 1317 NH1 ARG A 93 -0.729 -4.158 -5.764 1.00 21.11 N ATOM 1318 NH2 ARG A 93 -0.858 -2.987 -7.714 1.00 3.20 N ATOM 0 H ARG A 93 5.877 -2.320 -3.656 1.00 64.25 H new ATOM 0 HA ARG A 93 3.133 -3.399 -3.233 1.00 65.45 H new ATOM 0 HB2 ARG A 93 4.980 -3.139 -5.422 1.00 62.15 H new ATOM 0 HB3 ARG A 93 4.685 -4.835 -5.094 1.00 62.15 H new ATOM 0 HG2 ARG A 93 3.226 -3.464 -6.816 1.00 34.01 H new ATOM 0 HG3 ARG A 93 2.555 -4.774 -5.866 1.00 34.01 H new ATOM 0 HD2 ARG A 93 1.412 -3.275 -4.395 1.00 11.33 H new ATOM 0 HD3 ARG A 93 2.348 -1.895 -4.933 1.00 11.33 H new ATOM 0 HE ARG A 93 1.059 -1.726 -6.875 1.00 11.30 H new ATOM 0 HH11 ARG A 93 -0.278 -4.350 -4.870 1.00 21.11 H new ATOM 0 HH12 ARG A 93 -1.575 -4.663 -6.028 1.00 21.11 H new ATOM 0 HH21 ARG A 93 -0.509 -2.266 -8.346 1.00 3.20 H new ATOM 0 HH22 ARG A 93 -1.703 -3.507 -7.951 1.00 3.20 H new ATOM 1329 N ALA A 94 5.886 -5.192 -2.901 1.00 70.03 N ATOM 1330 CA ALA A 94 6.592 -6.201 -2.118 1.00 1.54 C ATOM 1331 C ALA A 94 6.747 -5.785 -0.648 1.00 22.04 C ATOM 1332 O ALA A 94 6.638 -6.578 0.278 1.00 11.32 O ATOM 1333 CB ALA A 94 7.960 -6.380 -2.777 1.00 25.20 C ATOM 0 H ALA A 94 6.389 -4.931 -3.749 1.00 70.03 H new ATOM 0 HA ALA A 94 6.027 -7.133 -2.107 1.00 1.54 H new ATOM 0 HB1 ALA A 94 8.533 -7.128 -2.229 1.00 25.20 H new ATOM 0 HB2 ALA A 94 7.827 -6.709 -3.808 1.00 25.20 H new ATOM 0 HB3 ALA A 94 8.497 -5.431 -2.765 1.00 25.20 H new ATOM 1339 N THR A 95 6.949 -4.498 -0.426 1.00 32.22 N ATOM 1340 CA THR A 95 7.112 -3.909 0.890 1.00 54.53 C ATOM 1341 C THR A 95 5.760 -3.865 1.596 1.00 21.34 C ATOM 1342 O THR A 95 5.665 -4.278 2.741 1.00 2.21 O ATOM 1343 CB THR A 95 7.711 -2.510 0.736 1.00 25.44 C ATOM 1344 OG1 THR A 95 8.756 -2.591 -0.221 1.00 62.05 O ATOM 1345 CG2 THR A 95 8.271 -1.970 2.048 1.00 71.45 C ATOM 0 H THR A 95 7.006 -3.814 -1.180 1.00 32.22 H new ATOM 0 HA THR A 95 7.789 -4.509 1.498 1.00 54.53 H new ATOM 0 HB THR A 95 6.923 -1.827 0.419 1.00 25.44 H new ATOM 0 HG1 THR A 95 8.657 -1.868 -0.875 1.00 62.05 H new ATOM 0 HG21 THR A 95 8.684 -0.975 1.885 1.00 71.45 H new ATOM 0 HG22 THR A 95 7.473 -1.915 2.789 1.00 71.45 H new ATOM 0 HG23 THR A 95 9.056 -2.634 2.409 1.00 71.45 H new ATOM 1353 N ALA A 96 4.689 -3.418 0.925 1.00 34.21 N ATOM 1354 CA ALA A 96 3.350 -3.396 1.503 1.00 51.44 C ATOM 1355 C ALA A 96 2.844 -4.796 1.846 1.00 34.11 C ATOM 1356 O ALA A 96 1.917 -4.909 2.644 1.00 34.11 O ATOM 1357 CB ALA A 96 2.370 -2.756 0.525 1.00 61.25 C ATOM 0 H ALA A 96 4.733 -3.064 -0.031 1.00 34.21 H new ATOM 0 HA ALA A 96 3.413 -2.816 2.424 1.00 51.44 H new ATOM 0 HB1 ALA A 96 1.373 -2.744 0.965 1.00 61.25 H new ATOM 0 HB2 ALA A 96 2.685 -1.735 0.311 1.00 61.25 H new ATOM 0 HB3 ALA A 96 2.351 -3.332 -0.400 1.00 61.25 H new ATOM 1363 N ARG A 97 3.406 -5.848 1.242 1.00 64.15 N ATOM 1364 CA ARG A 97 3.168 -7.222 1.653 1.00 71.11 C ATOM 1365 C ARG A 97 3.808 -7.472 3.012 1.00 51.45 C ATOM 1366 O ARG A 97 3.095 -7.754 3.977 1.00 32.43 O ATOM 1367 CB ARG A 97 3.716 -8.208 0.609 1.00 45.52 C ATOM 1368 CG ARG A 97 2.937 -8.303 -0.707 1.00 21.42 C ATOM 1369 CD ARG A 97 3.267 -9.644 -1.395 1.00 4.34 C ATOM 1370 NE ARG A 97 3.263 -9.549 -2.865 1.00 24.13 N ATOM 1371 CZ ARG A 97 2.219 -9.613 -3.697 1.00 33.44 C ATOM 1372 NH1 ARG A 97 1.001 -9.822 -3.231 1.00 74.42 N ATOM 1373 NH2 ARG A 97 2.381 -9.432 -5.005 1.00 53.25 N ATOM 0 H ARG A 97 4.042 -5.762 0.449 1.00 64.15 H new ATOM 0 HA ARG A 97 2.093 -7.381 1.732 1.00 71.11 H new ATOM 0 HB2 ARG A 97 4.744 -7.927 0.379 1.00 45.52 H new ATOM 0 HB3 ARG A 97 3.750 -9.200 1.059 1.00 45.52 H new ATOM 0 HG2 ARG A 97 1.866 -8.232 -0.516 1.00 21.42 H new ATOM 0 HG3 ARG A 97 3.200 -7.471 -1.360 1.00 21.42 H new ATOM 0 HD2 ARG A 97 4.246 -9.987 -1.061 1.00 4.34 H new ATOM 0 HD3 ARG A 97 2.542 -10.395 -1.082 1.00 4.34 H new ATOM 0 HE ARG A 97 4.174 -9.417 -3.304 1.00 24.13 H new ATOM 0 HH11 ARG A 97 0.851 -9.936 -2.229 1.00 74.42 H new ATOM 0 HH12 ARG A 97 0.210 -9.869 -3.874 1.00 74.42 H new ATOM 0 HH21 ARG A 97 3.309 -9.242 -5.382 1.00 53.25 H new ATOM 0 HH22 ARG A 97 1.577 -9.483 -5.630 1.00 53.25 H new ATOM 1384 N GLU A 98 5.130 -7.415 3.117 1.00 52.31 N ATOM 1385 CA GLU A 98 5.836 -7.775 4.336 1.00 72.14 C ATOM 1386 C GLU A 98 5.517 -6.803 5.486 1.00 62.35 C ATOM 1387 O GLU A 98 5.459 -7.204 6.649 1.00 70.34 O ATOM 1388 CB GLU A 98 7.323 -7.850 3.972 1.00 65.25 C ATOM 1389 CG GLU A 98 8.230 -8.206 5.146 1.00 53.15 C ATOM 1390 CD GLU A 98 7.953 -9.562 5.815 1.00 62.22 C ATOM 1391 OE1 GLU A 98 7.100 -10.370 5.371 1.00 22.42 O ATOM 1392 OE2 GLU A 98 8.649 -9.861 6.805 1.00 13.42 O ATOM 0 H GLU A 98 5.742 -7.117 2.357 1.00 52.31 H new ATOM 0 HA GLU A 98 5.513 -8.743 4.719 1.00 72.14 H new ATOM 0 HB2 GLU A 98 7.457 -8.591 3.184 1.00 65.25 H new ATOM 0 HB3 GLU A 98 7.636 -6.889 3.562 1.00 65.25 H new ATOM 0 HG2 GLU A 98 9.263 -8.197 4.799 1.00 53.15 H new ATOM 0 HG3 GLU A 98 8.141 -7.424 5.900 1.00 53.15 H new ATOM 1397 N GLN A 99 5.203 -5.542 5.169 1.00 51.15 N ATOM 1398 CA GLN A 99 4.822 -4.522 6.138 1.00 62.11 C ATOM 1399 C GLN A 99 3.598 -4.900 6.973 1.00 3.31 C ATOM 1400 O GLN A 99 3.396 -4.274 8.011 1.00 74.12 O ATOM 1401 CB GLN A 99 4.561 -3.158 5.465 1.00 65.15 C ATOM 1402 CG GLN A 99 5.780 -2.230 5.546 1.00 52.54 C ATOM 1403 CD GLN A 99 5.420 -0.774 5.252 1.00 54.33 C ATOM 1404 OE1 GLN A 99 4.267 -0.368 5.397 1.00 4.51 O ATOM 1405 NE2 GLN A 99 6.367 0.036 4.811 1.00 63.33 N ATOM 0 H GLN A 99 5.208 -5.200 4.208 1.00 51.15 H new ATOM 0 HA GLN A 99 5.678 -4.446 6.809 1.00 62.11 H new ATOM 0 HB2 GLN A 99 4.295 -3.315 4.420 1.00 65.15 H new ATOM 0 HB3 GLN A 99 3.707 -2.677 5.942 1.00 65.15 H new ATOM 0 HG2 GLN A 99 6.221 -2.299 6.540 1.00 52.54 H new ATOM 0 HG3 GLN A 99 6.537 -2.565 4.837 1.00 52.54 H new ATOM 0 HE21 GLN A 99 7.320 -0.309 4.694 1.00 63.33 H new ATOM 0 HE22 GLN A 99 6.145 1.006 4.588 1.00 63.33 H new ATOM 1412 N ILE A 100 2.772 -5.861 6.547 1.00 12.14 N ATOM 1413 CA ILE A 100 1.574 -6.250 7.280 1.00 3.32 C ATOM 1414 C ILE A 100 1.942 -6.778 8.670 1.00 13.31 C ATOM 1415 O ILE A 100 1.480 -6.189 9.649 1.00 24.33 O ATOM 1416 CB ILE A 100 0.740 -7.222 6.417 1.00 50.42 C ATOM 1417 CG1 ILE A 100 0.199 -6.538 5.139 1.00 51.53 C ATOM 1418 CG2 ILE A 100 -0.431 -7.872 7.171 1.00 42.54 C ATOM 1419 CD1 ILE A 100 -0.582 -5.237 5.376 1.00 64.32 C ATOM 0 H ILE A 100 2.919 -6.387 5.686 1.00 12.14 H new ATOM 0 HA ILE A 100 0.936 -5.386 7.468 1.00 3.32 H new ATOM 0 HB ILE A 100 1.438 -8.014 6.144 1.00 50.42 H new ATOM 0 HG12 ILE A 100 1.038 -6.324 4.477 1.00 51.53 H new ATOM 0 HG13 ILE A 100 -0.448 -7.242 4.615 1.00 51.53 H new ATOM 0 HG21 ILE A 100 -0.969 -8.541 6.500 1.00 42.54 H new ATOM 0 HG22 ILE A 100 -0.048 -8.440 8.019 1.00 42.54 H new ATOM 0 HG23 ILE A 100 -1.108 -7.097 7.530 1.00 42.54 H new ATOM 0 HD11 ILE A 100 -0.919 -4.835 4.420 1.00 64.32 H new ATOM 0 HD12 ILE A 100 -1.446 -5.441 6.008 1.00 64.32 H new ATOM 0 HD13 ILE A 100 0.064 -4.510 5.868 1.00 64.32 H new ATOM 1430 N ILE A 101 2.773 -7.822 8.806 1.00 13.41 N ATOM 1431 CA ILE A 101 3.215 -8.280 10.127 1.00 65.11 C ATOM 1432 C ILE A 101 4.026 -7.193 10.826 1.00 22.10 C ATOM 1433 O ILE A 101 3.929 -7.045 12.044 1.00 64.32 O ATOM 1434 CB ILE A 101 4.023 -9.584 10.007 1.00 25.51 C ATOM 1435 CG1 ILE A 101 3.208 -10.690 9.326 1.00 70.44 C ATOM 1436 CG2 ILE A 101 4.539 -10.075 11.366 1.00 42.23 C ATOM 1437 CD1 ILE A 101 1.779 -10.930 9.803 1.00 51.14 C ATOM 0 H ILE A 101 3.148 -8.359 8.024 1.00 13.41 H new ATOM 0 HA ILE A 101 2.334 -8.487 10.734 1.00 65.11 H new ATOM 0 HB ILE A 101 4.887 -9.352 9.384 1.00 25.51 H new ATOM 0 HG12 ILE A 101 3.170 -10.467 8.260 1.00 70.44 H new ATOM 0 HG13 ILE A 101 3.757 -11.625 9.437 1.00 70.44 H new ATOM 0 HG21 ILE A 101 5.103 -10.998 11.229 1.00 42.23 H new ATOM 0 HG22 ILE A 101 5.186 -9.316 11.805 1.00 42.23 H new ATOM 0 HG23 ILE A 101 3.695 -10.261 12.030 1.00 42.23 H new ATOM 0 HD11 ILE A 101 1.335 -11.741 9.227 1.00 51.14 H new ATOM 0 HD12 ILE A 101 1.788 -11.198 10.860 1.00 51.14 H new ATOM 0 HD13 ILE A 101 1.192 -10.022 9.664 1.00 51.14 H new ATOM 1448 N SER A 102 4.786 -6.403 10.069 1.00 52.51 N ATOM 1449 CA SER A 102 5.557 -5.287 10.598 1.00 33.43 C ATOM 1450 C SER A 102 4.641 -4.105 10.983 1.00 4.51 C ATOM 1451 O SER A 102 5.115 -2.983 11.167 1.00 12.20 O ATOM 1452 CB SER A 102 6.636 -4.947 9.566 1.00 30.43 C ATOM 1453 OG SER A 102 7.723 -4.224 10.113 1.00 33.12 O ATOM 0 H SER A 102 4.882 -6.524 9.061 1.00 52.51 H new ATOM 0 HA SER A 102 6.053 -5.549 11.533 1.00 33.43 H new ATOM 0 HB2 SER A 102 7.009 -5.870 9.122 1.00 30.43 H new ATOM 0 HB3 SER A 102 6.189 -4.364 8.761 1.00 30.43 H new ATOM 0 HG SER A 102 7.383 -3.498 10.677 1.00 33.12 H new ATOM 1458 N GLU A 103 3.320 -4.289 11.063 1.00 54.43 N ATOM 1459 CA GLU A 103 2.356 -3.281 11.488 1.00 3.40 C ATOM 1460 C GLU A 103 1.444 -3.796 12.612 1.00 24.22 C ATOM 1461 O GLU A 103 0.945 -2.978 13.387 1.00 13.24 O ATOM 1462 CB GLU A 103 1.555 -2.845 10.251 1.00 62.33 C ATOM 1463 CG GLU A 103 0.424 -1.865 10.555 1.00 3.51 C ATOM 1464 CD GLU A 103 0.870 -0.461 10.978 1.00 5.12 C ATOM 1465 OE1 GLU A 103 1.914 0.027 10.486 1.00 23.31 O ATOM 1466 OE2 GLU A 103 0.054 0.231 11.624 1.00 4.23 O ATOM 0 H GLU A 103 2.881 -5.178 10.824 1.00 54.43 H new ATOM 0 HA GLU A 103 2.880 -2.423 11.909 1.00 3.40 H new ATOM 0 HB2 GLU A 103 2.236 -2.387 9.534 1.00 62.33 H new ATOM 0 HB3 GLU A 103 1.136 -3.730 9.772 1.00 62.33 H new ATOM 0 HG2 GLU A 103 -0.206 -1.777 9.670 1.00 3.51 H new ATOM 0 HG3 GLU A 103 -0.196 -2.285 11.347 1.00 3.51 H new ATOM 1471 N ILE A 104 1.188 -5.103 12.722 1.00 73.14 N ATOM 1472 CA ILE A 104 0.359 -5.682 13.792 1.00 44.45 C ATOM 1473 C ILE A 104 1.085 -5.478 15.114 1.00 5.42 C ATOM 1474 O ILE A 104 0.443 -5.171 16.144 1.00 62.24 O ATOM 1475 CB ILE A 104 0.072 -7.191 13.591 1.00 73.24 C ATOM 1476 CG1 ILE A 104 -0.238 -7.586 12.132 1.00 1.52 C ATOM 1477 CG2 ILE A 104 -1.122 -7.557 14.491 1.00 64.50 C ATOM 1478 CD1 ILE A 104 -0.324 -9.089 11.860 1.00 54.31 C ATOM 0 H ILE A 104 1.551 -5.797 12.068 1.00 73.14 H new ATOM 0 HA ILE A 104 -0.607 -5.177 13.778 1.00 44.45 H new ATOM 0 HB ILE A 104 0.976 -7.740 13.855 1.00 73.24 H new ATOM 0 HG12 ILE A 104 -1.184 -7.128 11.843 1.00 1.52 H new ATOM 0 HG13 ILE A 104 0.532 -7.161 11.488 1.00 1.52 H new ATOM 0 HG21 ILE A 104 -1.354 -8.616 14.375 1.00 64.50 H new ATOM 0 HG22 ILE A 104 -0.870 -7.352 15.531 1.00 64.50 H new ATOM 0 HG23 ILE A 104 -1.989 -6.962 14.204 1.00 64.50 H new ATOM 0 HD11 ILE A 104 -0.546 -9.256 10.806 1.00 54.31 H new ATOM 0 HD12 ILE A 104 0.627 -9.559 12.110 1.00 54.31 H new ATOM 0 HD13 ILE A 104 -1.115 -9.525 12.470 1.00 54.31 H new TER 1489 ILE A 104