USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 458 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 43 LYS NZ :NH3+ -176:sc= 0.0666 (180deg=0) USER MOD Set 1.2: A 45 GLN :FLIP amide:sc= 0.0639 F(o=-0.93,f=0.13) USER MOD Set 2.1: A 4 ASN :FLIP amide:sc= -1.12 F(o=-1.8,f=-1.2) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.0399 K(o=-1.2,f=-3.1!) USER MOD Single : A 1 CYS N :NH3+ -128:sc= -0.342 (180deg=-1.09) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.00493 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 3 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0821) USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.434 (180deg=-0.814) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -11.9! (180deg=-12.4!) USER MOD Single : A 10 LYS NZ :NH3+ -128:sc= -0.0757 (180deg=-0.524) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.21! USER MOD Single : A 16 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.39 F(o=-3.2!,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= -0.67 (180deg=-0.692) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.602 F(o=-1.6!,f=-0.6) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -62:sc= 0.841 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.55 F(o=-1.1!,f=-0.55) USER MOD Single : A 54 GLN : amide:sc=-0.000511 K(o=-0.00051,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 43.216 -13.284 -6.183 1.00 1.00 N ATOM 2 CA CYS A 1 44.295 -14.021 -5.466 1.00 1.00 C ATOM 3 C CYS A 1 43.670 -14.967 -4.447 1.00 1.00 C ATOM 4 O CYS A 1 44.188 -16.056 -4.196 1.00 1.00 O ATOM 5 CB CYS A 1 45.209 -13.018 -4.758 1.00 1.00 C ATOM 6 SG CYS A 1 45.976 -11.930 -5.984 1.00 1.00 S ATOM 0 H1 CYS A 1 43.354 -13.378 -7.209 1.00 1.00 H new ATOM 0 H2 CYS A 1 42.291 -13.681 -5.920 1.00 1.00 H new ATOM 0 H3 CYS A 1 43.249 -12.278 -5.920 1.00 1.00 H new ATOM 0 HA CYS A 1 44.883 -14.601 -6.178 1.00 1.00 H new ATOM 0 HB2 CYS A 1 44.635 -12.429 -4.042 1.00 1.00 H new ATOM 0 HB3 CYS A 1 45.977 -13.546 -4.193 1.00 1.00 H new ATOM 0 HG CYS A 1 46.751 -11.077 -5.383 1.00 1.00 H new ATOM 14 N SER A 2 42.555 -14.544 -3.861 1.00 1.00 N ATOM 15 CA SER A 2 41.869 -15.360 -2.868 1.00 1.00 C ATOM 16 C SER A 2 41.156 -16.534 -3.538 1.00 1.00 C ATOM 17 O SER A 2 40.493 -16.367 -4.562 1.00 1.00 O ATOM 18 CB SER A 2 40.847 -14.500 -2.120 1.00 1.00 C ATOM 19 OG SER A 2 39.604 -14.541 -2.808 1.00 1.00 O ATOM 0 H SER A 2 42.110 -13.647 -4.055 1.00 1.00 H new ATOM 0 HA SER A 2 42.605 -15.753 -2.167 1.00 1.00 H new ATOM 0 HB2 SER A 2 40.724 -14.866 -1.101 1.00 1.00 H new ATOM 0 HB3 SER A 2 41.202 -13.472 -2.049 1.00 1.00 H new ATOM 0 HG SER A 2 38.947 -13.992 -2.330 1.00 1.00 H new ATOM 25 N LYS A 3 41.293 -17.722 -2.949 1.00 1.00 N ATOM 26 CA LYS A 3 40.655 -18.924 -3.492 1.00 1.00 C ATOM 27 C LYS A 3 39.232 -19.068 -2.954 1.00 1.00 C ATOM 28 O LYS A 3 38.825 -20.149 -2.529 1.00 1.00 O ATOM 29 CB LYS A 3 41.474 -20.161 -3.120 1.00 1.00 C ATOM 30 CG LYS A 3 41.647 -20.216 -1.599 1.00 1.00 C ATOM 31 CD LYS A 3 42.642 -21.316 -1.212 1.00 1.00 C ATOM 32 CE LYS A 3 42.107 -22.698 -1.618 1.00 1.00 C ATOM 33 NZ LYS A 3 42.600 -23.717 -0.645 1.00 1.00 N ATOM 0 H LYS A 3 41.837 -17.879 -2.100 1.00 1.00 H new ATOM 0 HA LYS A 3 40.610 -18.831 -4.577 1.00 1.00 H new ATOM 0 HB2 LYS A 3 40.973 -21.062 -3.473 1.00 1.00 H new ATOM 0 HB3 LYS A 3 42.448 -20.126 -3.607 1.00 1.00 H new ATOM 0 HG2 LYS A 3 42.000 -19.252 -1.232 1.00 1.00 H new ATOM 0 HG3 LYS A 3 40.684 -20.405 -1.124 1.00 1.00 H new ATOM 0 HD2 LYS A 3 43.600 -21.134 -1.698 1.00 1.00 H new ATOM 0 HD3 LYS A 3 42.820 -21.291 -0.137 1.00 1.00 H new ATOM 0 HE2 LYS A 3 41.017 -22.690 -1.634 1.00 1.00 H new ATOM 0 HE3 LYS A 3 42.439 -22.949 -2.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 42.783 -24.612 -1.142 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 43.479 -23.379 -0.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 41.881 -23.871 0.091 1.00 1.00 H new ATOM 47 N ASN A 4 38.492 -17.967 -2.985 1.00 1.00 N ATOM 48 CA ASN A 4 37.103 -17.951 -2.504 1.00 1.00 C ATOM 49 C ASN A 4 37.050 -18.073 -0.984 1.00 1.00 C ATOM 50 O ASN A 4 36.225 -17.433 -0.331 1.00 1.00 O ATOM 51 CB ASN A 4 36.306 -19.101 -3.137 1.00 1.00 C ATOM 52 CG ASN A 4 36.699 -19.264 -4.601 1.00 1.00 C ATOM 53 OD1 ASN A 4 36.679 -18.227 -5.393 1.00 1.00 O flip ATOM 54 ND2 ASN A 4 37.033 -20.366 -5.035 1.00 1.00 N flip ATOM 0 H ASN A 4 38.824 -17.069 -3.337 1.00 1.00 H new ATOM 0 HA ASN A 4 36.659 -16.999 -2.795 1.00 1.00 H new ATOM 0 HB2 ASN A 4 36.496 -20.028 -2.595 1.00 1.00 H new ATOM 0 HB3 ASN A 4 35.238 -18.900 -3.059 1.00 1.00 H new ATOM 0 HD21 ASN A 4 37.048 -21.175 -4.414 1.00 1.00 H new ATOM 0 HD22 ASN A 4 37.295 -20.470 -6.015 1.00 1.00 H new ATOM 61 N ARG A 5 37.919 -18.909 -0.427 1.00 1.00 N ATOM 62 CA ARG A 5 37.940 -19.114 1.015 1.00 1.00 C ATOM 63 C ARG A 5 38.173 -17.802 1.765 1.00 1.00 C ATOM 64 O ARG A 5 37.356 -17.409 2.592 1.00 1.00 O ATOM 65 CB ARG A 5 39.049 -20.102 1.388 1.00 1.00 C ATOM 66 CG ARG A 5 38.722 -21.491 0.833 1.00 1.00 C ATOM 67 CD ARG A 5 39.873 -22.444 1.156 1.00 1.00 C ATOM 68 NE ARG A 5 40.018 -22.573 2.603 1.00 1.00 N ATOM 69 CZ ARG A 5 39.287 -23.442 3.294 1.00 1.00 C ATOM 70 NH1 ARG A 5 38.443 -24.221 2.675 1.00 1.00 N ATOM 71 NH2 ARG A 5 39.418 -23.519 4.590 1.00 1.00 N ATOM 0 H ARG A 5 38.611 -19.450 -0.946 1.00 1.00 H new ATOM 0 HA ARG A 5 36.968 -19.513 1.304 1.00 1.00 H new ATOM 0 HB2 ARG A 5 40.003 -19.758 0.989 1.00 1.00 H new ATOM 0 HB3 ARG A 5 39.155 -20.150 2.472 1.00 1.00 H new ATOM 0 HG2 ARG A 5 37.794 -21.861 1.269 1.00 1.00 H new ATOM 0 HG3 ARG A 5 38.569 -21.438 -0.245 1.00 1.00 H new ATOM 0 HD2 ARG A 5 39.683 -23.421 0.712 1.00 1.00 H new ATOM 0 HD3 ARG A 5 40.800 -22.070 0.720 1.00 1.00 H new ATOM 0 HE ARG A 5 40.693 -21.985 3.093 1.00 1.00 H new ATOM 0 HH11 ARG A 5 38.344 -24.163 1.661 1.00 1.00 H new ATOM 0 HH12 ARG A 5 37.882 -24.888 3.205 1.00 1.00 H new ATOM 0 HH21 ARG A 5 40.081 -22.912 5.072 1.00 1.00 H new ATOM 0 HH22 ARG A 5 38.857 -24.186 5.121 1.00 1.00 H new ATOM 85 N LYS A 6 39.287 -17.128 1.474 1.00 1.00 N ATOM 86 CA LYS A 6 39.611 -15.869 2.141 1.00 1.00 C ATOM 87 C LYS A 6 40.925 -15.306 1.597 1.00 1.00 C ATOM 88 O LYS A 6 41.801 -16.060 1.170 1.00 1.00 O ATOM 89 CB LYS A 6 39.743 -16.097 3.656 1.00 1.00 C ATOM 90 CG LYS A 6 40.809 -17.158 3.920 1.00 1.00 C ATOM 91 CD LYS A 6 40.904 -17.408 5.426 1.00 1.00 C ATOM 92 CE LYS A 6 41.955 -18.481 5.708 1.00 1.00 C ATOM 93 NZ LYS A 6 42.033 -18.713 7.179 1.00 1.00 N ATOM 0 H LYS A 6 39.975 -17.432 0.785 1.00 1.00 H new ATOM 0 HA LYS A 6 38.809 -15.157 1.949 1.00 1.00 H new ATOM 0 HB2 LYS A 6 40.012 -15.165 4.153 1.00 1.00 H new ATOM 0 HB3 LYS A 6 38.787 -16.416 4.071 1.00 1.00 H new ATOM 0 HG2 LYS A 6 40.556 -18.082 3.401 1.00 1.00 H new ATOM 0 HG3 LYS A 6 41.773 -16.828 3.532 1.00 1.00 H new ATOM 0 HD2 LYS A 6 41.167 -16.484 5.941 1.00 1.00 H new ATOM 0 HD3 LYS A 6 39.935 -17.724 5.813 1.00 1.00 H new ATOM 0 HE2 LYS A 6 41.695 -19.407 5.195 1.00 1.00 H new ATOM 0 HE3 LYS A 6 42.926 -18.166 5.325 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 42.260 -19.711 7.361 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 42.775 -18.109 7.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 41.119 -18.480 7.616 1.00 1.00 H new ATOM 107 N ALA A 7 41.046 -13.981 1.608 1.00 1.00 N ATOM 108 CA ALA A 7 42.260 -13.314 1.106 1.00 1.00 C ATOM 109 C ALA A 7 43.516 -14.110 1.460 1.00 1.00 C ATOM 110 O ALA A 7 44.529 -13.997 0.774 1.00 1.00 O ATOM 111 CB ALA A 7 42.396 -11.893 1.684 1.00 1.00 C ATOM 0 H ALA A 7 40.328 -13.345 1.955 1.00 1.00 H new ATOM 0 HA ALA A 7 42.162 -13.256 0.022 1.00 1.00 H new ATOM 0 HB1 ALA A 7 43.301 -11.427 1.295 1.00 1.00 H new ATOM 0 HB2 ALA A 7 41.529 -11.298 1.396 1.00 1.00 H new ATOM 0 HB3 ALA A 7 42.454 -11.946 2.771 1.00 1.00 H new ATOM 117 N LYS A 8 43.428 -14.920 2.520 1.00 1.00 N ATOM 118 CA LYS A 8 44.554 -15.763 2.980 1.00 1.00 C ATOM 119 C LYS A 8 45.885 -14.996 3.018 1.00 1.00 C ATOM 120 O LYS A 8 46.369 -14.485 2.012 1.00 1.00 O ATOM 121 CB LYS A 8 44.693 -17.041 2.114 1.00 1.00 C ATOM 122 CG LYS A 8 44.870 -16.696 0.625 1.00 1.00 C ATOM 123 CD LYS A 8 45.171 -17.956 -0.189 1.00 1.00 C ATOM 124 CE LYS A 8 45.432 -17.534 -1.635 1.00 1.00 C ATOM 125 NZ LYS A 8 45.790 -18.719 -2.455 1.00 1.00 N ATOM 0 H LYS A 8 42.584 -15.015 3.085 1.00 1.00 H new ATOM 0 HA LYS A 8 44.318 -16.059 4.002 1.00 1.00 H new ATOM 0 HB2 LYS A 8 45.548 -17.624 2.458 1.00 1.00 H new ATOM 0 HB3 LYS A 8 43.809 -17.666 2.241 1.00 1.00 H new ATOM 0 HG2 LYS A 8 43.965 -16.220 0.247 1.00 1.00 H new ATOM 0 HG3 LYS A 8 45.681 -15.978 0.507 1.00 1.00 H new ATOM 0 HD2 LYS A 8 46.038 -18.475 0.219 1.00 1.00 H new ATOM 0 HD3 LYS A 8 44.332 -18.650 -0.140 1.00 1.00 H new ATOM 0 HE2 LYS A 8 44.546 -17.051 -2.047 1.00 1.00 H new ATOM 0 HE3 LYS A 8 46.239 -16.802 -1.668 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 46.223 -18.406 -3.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 46.465 -19.312 -1.932 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 44.933 -19.270 -2.661 1.00 1.00 H new ATOM 139 N ALA A 9 46.482 -14.924 4.208 1.00 1.00 N ATOM 140 CA ALA A 9 47.766 -14.226 4.387 1.00 1.00 C ATOM 141 C ALA A 9 48.796 -15.129 5.065 1.00 1.00 C ATOM 142 O ALA A 9 49.729 -14.644 5.707 1.00 1.00 O ATOM 143 CB ALA A 9 47.575 -12.973 5.240 1.00 1.00 C ATOM 0 H ALA A 9 46.104 -15.336 5.061 1.00 1.00 H new ATOM 0 HA ALA A 9 48.129 -13.951 3.397 1.00 1.00 H new ATOM 0 HB1 ALA A 9 48.533 -12.468 5.364 1.00 1.00 H new ATOM 0 HB2 ALA A 9 46.871 -12.302 4.748 1.00 1.00 H new ATOM 0 HB3 ALA A 9 47.184 -13.255 6.218 1.00 1.00 H new ATOM 149 N LYS A 10 48.633 -16.440 4.916 1.00 1.00 N ATOM 150 CA LYS A 10 49.567 -17.402 5.515 1.00 1.00 C ATOM 151 C LYS A 10 50.654 -17.846 4.512 1.00 1.00 C ATOM 152 O LYS A 10 51.826 -17.901 4.865 1.00 1.00 O ATOM 153 CB LYS A 10 48.807 -18.648 6.052 1.00 1.00 C ATOM 154 CG LYS A 10 47.293 -18.387 6.088 1.00 1.00 C ATOM 155 CD LYS A 10 46.553 -19.640 6.600 1.00 1.00 C ATOM 156 CE LYS A 10 46.249 -20.591 5.434 1.00 1.00 C ATOM 157 NZ LYS A 10 45.204 -19.986 4.561 1.00 1.00 N ATOM 0 H LYS A 10 47.869 -16.864 4.390 1.00 1.00 H new ATOM 0 HA LYS A 10 50.058 -16.896 6.346 1.00 1.00 H new ATOM 0 HB2 LYS A 10 49.018 -19.510 5.418 1.00 1.00 H new ATOM 0 HB3 LYS A 10 49.163 -18.894 7.053 1.00 1.00 H new ATOM 0 HG2 LYS A 10 47.078 -17.537 6.736 1.00 1.00 H new ATOM 0 HG3 LYS A 10 46.937 -18.126 5.091 1.00 1.00 H new ATOM 0 HD2 LYS A 10 47.162 -20.151 7.346 1.00 1.00 H new ATOM 0 HD3 LYS A 10 45.625 -19.348 7.091 1.00 1.00 H new ATOM 0 HE2 LYS A 10 47.155 -20.779 4.858 1.00 1.00 H new ATOM 0 HE3 LYS A 10 45.908 -21.554 5.815 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 44.433 -20.669 4.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 44.827 -19.129 5.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 45.621 -19.737 3.641 1.00 1.00 H new ATOM 171 N PRO A 11 50.296 -18.190 3.293 1.00 1.00 N ATOM 172 CA PRO A 11 51.288 -18.674 2.281 1.00 1.00 C ATOM 173 C PRO A 11 52.237 -17.582 1.777 1.00 1.00 C ATOM 174 O PRO A 11 52.826 -17.701 0.701 1.00 1.00 O ATOM 175 CB PRO A 11 50.417 -19.233 1.151 1.00 1.00 C ATOM 176 CG PRO A 11 49.097 -18.534 1.271 1.00 1.00 C ATOM 177 CD PRO A 11 48.926 -18.150 2.743 1.00 1.00 C ATOM 0 HA PRO A 11 51.962 -19.414 2.712 1.00 1.00 H new ATOM 0 HB2 PRO A 11 50.871 -19.047 0.178 1.00 1.00 H new ATOM 0 HB3 PRO A 11 50.298 -20.312 1.246 1.00 1.00 H new ATOM 0 HG2 PRO A 11 49.070 -17.649 0.636 1.00 1.00 H new ATOM 0 HG3 PRO A 11 48.285 -19.184 0.945 1.00 1.00 H new ATOM 0 HD2 PRO A 11 48.485 -17.159 2.847 1.00 1.00 H new ATOM 0 HD3 PRO A 11 48.269 -18.847 3.262 1.00 1.00 H new ATOM 185 N VAL A 12 52.377 -16.536 2.562 1.00 1.00 N ATOM 186 CA VAL A 12 53.255 -15.426 2.211 1.00 1.00 C ATOM 187 C VAL A 12 54.716 -15.865 2.102 1.00 1.00 C ATOM 188 O VAL A 12 55.527 -15.185 1.472 1.00 1.00 O ATOM 189 CB VAL A 12 53.138 -14.318 3.277 1.00 1.00 C ATOM 190 CG1 VAL A 12 52.040 -13.316 2.896 1.00 1.00 C ATOM 191 CG2 VAL A 12 52.792 -14.947 4.632 1.00 1.00 C ATOM 0 H VAL A 12 51.894 -16.425 3.453 1.00 1.00 H new ATOM 0 HA VAL A 12 52.941 -15.053 1.236 1.00 1.00 H new ATOM 0 HB VAL A 12 54.092 -13.794 3.339 1.00 1.00 H new ATOM 0 HG11 VAL A 12 51.973 -12.542 3.660 1.00 1.00 H new ATOM 0 HG12 VAL A 12 52.282 -12.859 1.937 1.00 1.00 H new ATOM 0 HG13 VAL A 12 51.084 -13.835 2.820 1.00 1.00 H new ATOM 0 HG21 VAL A 12 52.709 -14.164 5.386 1.00 1.00 H new ATOM 0 HG22 VAL A 12 51.843 -15.478 4.555 1.00 1.00 H new ATOM 0 HG23 VAL A 12 53.577 -15.646 4.920 1.00 1.00 H new ATOM 201 N THR A 13 55.046 -16.979 2.734 1.00 1.00 N ATOM 202 CA THR A 13 56.431 -17.485 2.721 1.00 1.00 C ATOM 203 C THR A 13 56.456 -18.957 2.342 1.00 1.00 C ATOM 204 O THR A 13 56.932 -19.328 1.270 1.00 1.00 O ATOM 205 CB THR A 13 57.094 -17.295 4.111 1.00 1.00 C ATOM 206 OG1 THR A 13 57.313 -18.556 4.729 1.00 1.00 O ATOM 207 CG2 THR A 13 56.197 -16.452 5.020 1.00 1.00 C ATOM 0 H THR A 13 54.389 -17.554 3.261 1.00 1.00 H new ATOM 0 HA THR A 13 56.992 -16.916 1.979 1.00 1.00 H new ATOM 0 HB THR A 13 58.047 -16.786 3.963 1.00 1.00 H new ATOM 0 HG1 THR A 13 57.733 -18.423 5.604 1.00 1.00 H new ATOM 0 HG21 THR A 13 56.677 -16.328 5.991 1.00 1.00 H new ATOM 0 HG22 THR A 13 56.037 -15.474 4.567 1.00 1.00 H new ATOM 0 HG23 THR A 13 55.238 -16.953 5.150 1.00 1.00 H new ATOM 215 N ARG A 14 55.945 -19.789 3.235 1.00 1.00 N ATOM 216 CA ARG A 14 55.919 -21.229 2.990 1.00 1.00 C ATOM 217 C ARG A 14 55.279 -21.526 1.642 1.00 1.00 C ATOM 218 O ARG A 14 55.268 -22.673 1.193 1.00 1.00 O ATOM 219 CB ARG A 14 55.146 -21.970 4.089 1.00 1.00 C ATOM 220 CG ARG A 14 53.736 -21.372 4.249 1.00 1.00 C ATOM 221 CD ARG A 14 53.797 -19.980 4.917 1.00 1.00 C ATOM 222 NE ARG A 14 52.721 -19.851 5.899 1.00 1.00 N ATOM 223 CZ ARG A 14 52.847 -19.064 6.967 1.00 1.00 C ATOM 224 NH1 ARG A 14 53.935 -18.364 7.144 1.00 1.00 N ATOM 225 NH2 ARG A 14 51.874 -18.982 7.833 1.00 1.00 N ATOM 0 H ARG A 14 55.546 -19.500 4.128 1.00 1.00 H new ATOM 0 HA ARG A 14 56.951 -21.579 2.992 1.00 1.00 H new ATOM 0 HB2 ARG A 14 55.073 -23.029 3.840 1.00 1.00 H new ATOM 0 HB3 ARG A 14 55.687 -21.901 5.033 1.00 1.00 H new ATOM 0 HG2 ARG A 14 53.259 -21.290 3.272 1.00 1.00 H new ATOM 0 HG3 ARG A 14 53.120 -22.041 4.850 1.00 1.00 H new ATOM 0 HD2 ARG A 14 54.763 -19.842 5.403 1.00 1.00 H new ATOM 0 HD3 ARG A 14 53.706 -19.200 4.161 1.00 1.00 H new ATOM 0 HE ARG A 14 51.856 -20.374 5.764 1.00 1.00 H new ATOM 0 HH11 ARG A 14 54.693 -18.418 6.463 1.00 1.00 H new ATOM 0 HH12 ARG A 14 54.027 -17.763 7.963 1.00 1.00 H new ATOM 0 HH21 ARG A 14 51.019 -19.520 7.692 1.00 1.00 H new ATOM 0 HH22 ARG A 14 51.969 -18.380 8.651 1.00 1.00 H new ATOM 239 N GLY A 15 54.748 -20.493 0.990 1.00 1.00 N ATOM 240 CA GLY A 15 54.117 -20.670 -0.307 1.00 1.00 C ATOM 241 C GLY A 15 54.202 -19.387 -1.116 1.00 1.00 C ATOM 242 O GLY A 15 55.243 -18.732 -1.158 1.00 1.00 O ATOM 0 H GLY A 15 54.744 -19.534 1.339 1.00 1.00 H new ATOM 0 HA2 GLY A 15 54.604 -21.482 -0.848 1.00 1.00 H new ATOM 0 HA3 GLY A 15 53.073 -20.956 -0.175 1.00 1.00 H new ATOM 246 N THR A 16 53.103 -19.038 -1.758 1.00 1.00 N ATOM 247 CA THR A 16 53.064 -17.827 -2.572 1.00 1.00 C ATOM 248 C THR A 16 51.642 -17.476 -3.011 1.00 1.00 C ATOM 249 O THR A 16 51.429 -17.066 -4.154 1.00 1.00 O ATOM 250 CB THR A 16 53.944 -18.015 -3.809 1.00 1.00 C ATOM 251 OG1 THR A 16 53.834 -16.869 -4.642 1.00 1.00 O ATOM 252 CG2 THR A 16 53.489 -19.256 -4.579 1.00 1.00 C ATOM 0 H THR A 16 52.231 -19.567 -1.736 1.00 1.00 H new ATOM 0 HA THR A 16 53.437 -17.005 -1.960 1.00 1.00 H new ATOM 0 HB THR A 16 54.982 -18.144 -3.502 1.00 1.00 H new ATOM 0 HG1 THR A 16 52.921 -16.806 -4.993 1.00 1.00 H new ATOM 0 HG21 THR A 16 54.117 -19.388 -5.460 1.00 1.00 H new ATOM 0 HG22 THR A 16 53.574 -20.133 -3.938 1.00 1.00 H new ATOM 0 HG23 THR A 16 52.451 -19.132 -4.889 1.00 1.00 H new ATOM 260 N GLY A 17 50.671 -17.618 -2.110 1.00 1.00 N ATOM 261 CA GLY A 17 49.289 -17.284 -2.453 1.00 1.00 C ATOM 262 C GLY A 17 48.811 -18.074 -3.663 1.00 1.00 C ATOM 263 O GLY A 17 49.115 -17.727 -4.805 1.00 1.00 O ATOM 0 H GLY A 17 50.810 -17.954 -1.157 1.00 1.00 H new ATOM 0 HA2 GLY A 17 48.641 -17.492 -1.602 1.00 1.00 H new ATOM 0 HA3 GLY A 17 49.212 -16.217 -2.660 1.00 1.00 H new ATOM 267 N ALA A 18 48.042 -19.125 -3.406 1.00 1.00 N ATOM 268 CA ALA A 18 47.503 -19.944 -4.483 1.00 1.00 C ATOM 269 C ALA A 18 46.600 -19.077 -5.370 1.00 1.00 C ATOM 270 O ALA A 18 45.379 -19.076 -5.211 1.00 1.00 O ATOM 271 CB ALA A 18 46.707 -21.109 -3.888 1.00 1.00 C ATOM 0 H ALA A 18 47.779 -19.428 -2.468 1.00 1.00 H new ATOM 0 HA ALA A 18 48.315 -20.347 -5.088 1.00 1.00 H new ATOM 0 HB1 ALA A 18 46.303 -21.723 -4.693 1.00 1.00 H new ATOM 0 HB2 ALA A 18 47.362 -21.716 -3.263 1.00 1.00 H new ATOM 0 HB3 ALA A 18 45.888 -20.719 -3.283 1.00 1.00 H new ATOM 277 N GLY A 19 47.214 -18.319 -6.287 1.00 1.00 N ATOM 278 CA GLY A 19 46.466 -17.423 -7.177 1.00 1.00 C ATOM 279 C GLY A 19 46.248 -18.065 -8.536 1.00 1.00 C ATOM 280 O GLY A 19 46.764 -17.602 -9.554 1.00 1.00 O ATOM 0 H GLY A 19 48.224 -18.308 -6.432 1.00 1.00 H new ATOM 0 HA2 GLY A 19 45.504 -17.178 -6.728 1.00 1.00 H new ATOM 0 HA3 GLY A 19 47.010 -16.486 -7.296 1.00 1.00 H new ATOM 284 N SER A 20 45.472 -19.135 -8.534 1.00 1.00 N ATOM 285 CA SER A 20 45.155 -19.869 -9.753 1.00 1.00 C ATOM 286 C SER A 20 43.841 -19.367 -10.344 1.00 1.00 C ATOM 287 O SER A 20 42.956 -20.152 -10.682 1.00 1.00 O ATOM 288 CB SER A 20 45.029 -21.353 -9.433 1.00 1.00 C ATOM 289 OG SER A 20 46.105 -21.745 -8.590 1.00 1.00 O ATOM 0 H SER A 20 45.044 -19.521 -7.692 1.00 1.00 H new ATOM 0 HA SER A 20 45.954 -19.713 -10.478 1.00 1.00 H new ATOM 0 HB2 SER A 20 44.076 -21.551 -8.942 1.00 1.00 H new ATOM 0 HB3 SER A 20 45.041 -21.937 -10.353 1.00 1.00 H new ATOM 0 HG SER A 20 46.026 -22.699 -8.381 1.00 1.00 H new ATOM 295 N ARG A 21 43.733 -18.051 -10.456 1.00 1.00 N ATOM 296 CA ARG A 21 42.527 -17.413 -11.002 1.00 1.00 C ATOM 297 C ARG A 21 41.311 -17.720 -10.107 1.00 1.00 C ATOM 298 O ARG A 21 40.817 -18.844 -10.121 1.00 1.00 O ATOM 299 CB ARG A 21 42.251 -17.943 -12.417 1.00 1.00 C ATOM 300 CG ARG A 21 41.228 -17.044 -13.124 1.00 1.00 C ATOM 301 CD ARG A 21 41.178 -17.393 -14.619 1.00 1.00 C ATOM 302 NE ARG A 21 41.298 -18.836 -14.823 1.00 1.00 N ATOM 303 CZ ARG A 21 41.675 -19.334 -16.001 1.00 1.00 C ATOM 304 NH1 ARG A 21 41.942 -18.530 -16.994 1.00 1.00 N ATOM 305 NH2 ARG A 21 41.774 -20.625 -16.165 1.00 1.00 N ATOM 0 H ARG A 21 44.464 -17.396 -10.177 1.00 1.00 H new ATOM 0 HA ARG A 21 42.690 -16.336 -11.036 1.00 1.00 H new ATOM 0 HB2 ARG A 21 43.178 -17.974 -12.990 1.00 1.00 H new ATOM 0 HB3 ARG A 21 41.875 -18.965 -12.365 1.00 1.00 H new ATOM 0 HG2 ARG A 21 40.243 -17.176 -12.677 1.00 1.00 H new ATOM 0 HG3 ARG A 21 41.499 -15.996 -12.994 1.00 1.00 H new ATOM 0 HD2 ARG A 21 40.241 -17.038 -15.048 1.00 1.00 H new ATOM 0 HD3 ARG A 21 41.984 -16.879 -15.143 1.00 1.00 H new ATOM 0 HE ARG A 21 41.090 -19.471 -14.052 1.00 1.00 H new ATOM 0 HH11 ARG A 21 41.862 -17.521 -16.869 1.00 1.00 H new ATOM 0 HH12 ARG A 21 42.230 -18.911 -17.895 1.00 1.00 H new ATOM 0 HH21 ARG A 21 41.563 -21.255 -15.391 1.00 1.00 H new ATOM 0 HH22 ARG A 21 42.063 -21.004 -17.067 1.00 1.00 H new ATOM 319 N PRO A 22 40.819 -16.775 -9.328 1.00 1.00 N ATOM 320 CA PRO A 22 39.642 -17.021 -8.429 1.00 1.00 C ATOM 321 C PRO A 22 38.466 -17.687 -9.138 1.00 1.00 C ATOM 322 O PRO A 22 37.886 -18.635 -8.608 1.00 1.00 O ATOM 323 CB PRO A 22 39.266 -15.617 -7.931 1.00 1.00 C ATOM 324 CG PRO A 22 40.538 -14.835 -8.000 1.00 1.00 C ATOM 325 CD PRO A 22 41.319 -15.391 -9.194 1.00 1.00 C ATOM 0 HA PRO A 22 39.893 -17.716 -7.628 1.00 1.00 H new ATOM 0 HB2 PRO A 22 38.492 -15.170 -8.555 1.00 1.00 H new ATOM 0 HB3 PRO A 22 38.876 -15.649 -6.914 1.00 1.00 H new ATOM 0 HG2 PRO A 22 40.335 -13.772 -8.129 1.00 1.00 H new ATOM 0 HG3 PRO A 22 41.110 -14.940 -7.078 1.00 1.00 H new ATOM 0 HD2 PRO A 22 41.135 -14.810 -10.098 1.00 1.00 H new ATOM 0 HD3 PRO A 22 42.394 -15.370 -9.014 1.00 1.00 H new ATOM 333 N ARG A 23 38.133 -17.173 -10.323 1.00 1.00 N ATOM 334 CA ARG A 23 37.009 -17.693 -11.150 1.00 1.00 C ATOM 335 C ARG A 23 36.460 -19.021 -10.616 1.00 1.00 C ATOM 336 O ARG A 23 37.193 -20.002 -10.488 1.00 1.00 O ATOM 337 CB ARG A 23 37.455 -17.888 -12.616 1.00 1.00 C ATOM 338 CG ARG A 23 36.309 -18.517 -13.455 1.00 1.00 C ATOM 339 CD ARG A 23 36.578 -20.010 -13.698 1.00 1.00 C ATOM 340 NE ARG A 23 37.811 -20.182 -14.461 1.00 1.00 N ATOM 341 CZ ARG A 23 38.275 -21.393 -14.763 1.00 1.00 C ATOM 342 NH1 ARG A 23 37.616 -22.458 -14.400 1.00 1.00 N ATOM 343 NH2 ARG A 23 39.392 -21.516 -15.428 1.00 1.00 N ATOM 0 H ARG A 23 38.624 -16.387 -10.748 1.00 1.00 H new ATOM 0 HA ARG A 23 36.215 -16.948 -11.097 1.00 1.00 H new ATOM 0 HB2 ARG A 23 37.743 -16.928 -13.045 1.00 1.00 H new ATOM 0 HB3 ARG A 23 38.335 -18.530 -12.652 1.00 1.00 H new ATOM 0 HG2 ARG A 23 35.359 -18.392 -12.935 1.00 1.00 H new ATOM 0 HG3 ARG A 23 36.221 -17.997 -14.409 1.00 1.00 H new ATOM 0 HD2 ARG A 23 36.656 -20.533 -12.745 1.00 1.00 H new ATOM 0 HD3 ARG A 23 35.742 -20.454 -14.238 1.00 1.00 H new ATOM 0 HE ARG A 23 38.327 -19.358 -14.769 1.00 1.00 H new ATOM 0 HH11 ARG A 23 36.742 -22.365 -13.883 1.00 1.00 H new ATOM 0 HH12 ARG A 23 37.975 -23.384 -14.633 1.00 1.00 H new ATOM 0 HH21 ARG A 23 39.908 -20.685 -15.716 1.00 1.00 H new ATOM 0 HH22 ARG A 23 39.748 -22.443 -15.660 1.00 1.00 H new ATOM 357 N GLY A 24 35.167 -19.032 -10.297 1.00 1.00 N ATOM 358 CA GLY A 24 34.514 -20.231 -9.763 1.00 1.00 C ATOM 359 C GLY A 24 33.435 -19.846 -8.752 1.00 1.00 C ATOM 360 O GLY A 24 32.297 -20.316 -8.835 1.00 1.00 O ATOM 0 H GLY A 24 34.550 -18.226 -10.398 1.00 1.00 H new ATOM 0 HA2 GLY A 24 34.070 -20.804 -10.577 1.00 1.00 H new ATOM 0 HA3 GLY A 24 35.254 -20.874 -9.287 1.00 1.00 H new ATOM 364 N GLN A 25 33.790 -18.981 -7.803 1.00 1.00 N ATOM 365 CA GLN A 25 32.824 -18.537 -6.796 1.00 1.00 C ATOM 366 C GLN A 25 31.698 -17.779 -7.475 1.00 1.00 C ATOM 367 O GLN A 25 31.748 -16.557 -7.619 1.00 1.00 O ATOM 368 CB GLN A 25 33.481 -17.638 -5.740 1.00 1.00 C ATOM 369 CG GLN A 25 32.436 -17.226 -4.699 1.00 1.00 C ATOM 370 CD GLN A 25 33.114 -16.514 -3.535 1.00 1.00 C ATOM 371 OE1 GLN A 25 34.337 -16.375 -3.519 1.00 1.00 O ATOM 372 NE2 GLN A 25 32.390 -16.050 -2.553 1.00 1.00 N ATOM 0 H GLN A 25 34.723 -18.579 -7.709 1.00 1.00 H new ATOM 0 HA GLN A 25 32.433 -19.420 -6.291 1.00 1.00 H new ATOM 0 HB2 GLN A 25 34.302 -18.167 -5.257 1.00 1.00 H new ATOM 0 HB3 GLN A 25 33.906 -16.753 -6.214 1.00 1.00 H new ATOM 0 HG2 GLN A 25 31.695 -16.570 -5.155 1.00 1.00 H new ATOM 0 HG3 GLN A 25 31.904 -18.106 -4.338 1.00 1.00 H new ATOM 0 HE21 GLN A 25 31.377 -16.166 -2.567 1.00 1.00 H new ATOM 0 HE22 GLN A 25 32.838 -15.572 -1.771 1.00 1.00 H new ATOM 381 N ASN A 26 30.693 -18.525 -7.896 1.00 1.00 N ATOM 382 CA ASN A 26 29.543 -17.935 -8.578 1.00 1.00 C ATOM 383 C ASN A 26 28.898 -16.887 -7.700 1.00 1.00 C ATOM 384 O ASN A 26 28.134 -16.061 -8.180 1.00 1.00 O ATOM 385 CB ASN A 26 28.497 -18.996 -8.992 1.00 1.00 C ATOM 386 CG ASN A 26 27.255 -18.308 -9.561 1.00 1.00 C ATOM 387 OD1 ASN A 26 27.378 -17.163 -10.182 1.00 1.00 O flip ATOM 388 ND2 ASN A 26 26.143 -18.821 -9.429 1.00 1.00 N flip ATOM 0 H ASN A 26 30.644 -19.537 -7.781 1.00 1.00 H new ATOM 0 HA ASN A 26 29.914 -17.470 -9.492 1.00 1.00 H new ATOM 0 HB2 ASN A 26 28.924 -19.669 -9.736 1.00 1.00 H new ATOM 0 HB3 ASN A 26 28.223 -19.605 -8.131 1.00 1.00 H new ATOM 0 HD21 ASN A 26 26.047 -19.714 -8.945 1.00 1.00 H new ATOM 0 HD22 ASN A 26 25.318 -18.353 -9.804 1.00 1.00 H new ATOM 395 N LYS A 27 29.227 -16.931 -6.418 1.00 1.00 N ATOM 396 CA LYS A 27 28.685 -15.966 -5.445 1.00 1.00 C ATOM 397 C LYS A 27 27.226 -16.294 -5.137 1.00 1.00 C ATOM 398 O LYS A 27 26.762 -16.085 -4.017 1.00 1.00 O ATOM 399 CB LYS A 27 28.841 -14.510 -5.993 1.00 1.00 C ATOM 400 CG LYS A 27 27.485 -13.898 -6.424 1.00 1.00 C ATOM 401 CD LYS A 27 27.709 -12.586 -7.195 1.00 1.00 C ATOM 402 CE LYS A 27 26.465 -12.270 -8.032 1.00 1.00 C ATOM 403 NZ LYS A 27 26.441 -10.821 -8.368 1.00 1.00 N ATOM 0 H LYS A 27 29.865 -17.619 -6.018 1.00 1.00 H new ATOM 0 HA LYS A 27 29.247 -16.037 -4.514 1.00 1.00 H new ATOM 0 HB2 LYS A 27 29.294 -13.882 -5.226 1.00 1.00 H new ATOM 0 HB3 LYS A 27 29.522 -14.515 -6.844 1.00 1.00 H new ATOM 0 HG2 LYS A 27 26.942 -14.606 -7.049 1.00 1.00 H new ATOM 0 HG3 LYS A 27 26.868 -13.710 -5.545 1.00 1.00 H new ATOM 0 HD2 LYS A 27 27.909 -11.772 -6.499 1.00 1.00 H new ATOM 0 HD3 LYS A 27 28.583 -12.675 -7.841 1.00 1.00 H new ATOM 0 HE2 LYS A 27 26.469 -12.865 -8.945 1.00 1.00 H new ATOM 0 HE3 LYS A 27 25.565 -12.540 -7.480 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 25.521 -10.577 -8.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 26.588 -10.262 -7.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 27.198 -10.610 -9.050 1.00 1.00 H new ATOM 417 N GLU A 28 26.522 -16.789 -6.153 1.00 1.00 N ATOM 418 CA GLU A 28 25.113 -17.139 -6.014 1.00 1.00 C ATOM 419 C GLU A 28 24.282 -15.919 -5.619 1.00 1.00 C ATOM 420 O GLU A 28 24.468 -15.351 -4.545 1.00 1.00 O ATOM 421 CB GLU A 28 24.953 -18.242 -4.961 1.00 1.00 C ATOM 422 CG GLU A 28 25.705 -19.499 -5.417 1.00 1.00 C ATOM 423 CD GLU A 28 25.013 -20.127 -6.626 1.00 1.00 C ATOM 424 OE1 GLU A 28 23.921 -19.695 -6.955 1.00 1.00 O ATOM 425 OE2 GLU A 28 25.591 -21.031 -7.207 1.00 1.00 O ATOM 0 H GLU A 28 26.907 -16.956 -7.083 1.00 1.00 H new ATOM 0 HA GLU A 28 24.753 -17.500 -6.977 1.00 1.00 H new ATOM 0 HB2 GLU A 28 25.341 -17.902 -4.001 1.00 1.00 H new ATOM 0 HB3 GLU A 28 23.897 -18.470 -4.815 1.00 1.00 H new ATOM 0 HG2 GLU A 28 26.733 -19.243 -5.672 1.00 1.00 H new ATOM 0 HG3 GLU A 28 25.749 -20.220 -4.601 1.00 1.00 H new ATOM 432 N ARG A 29 23.356 -15.531 -6.498 1.00 1.00 N ATOM 433 CA ARG A 29 22.484 -14.375 -6.240 1.00 1.00 C ATOM 434 C ARG A 29 23.307 -13.088 -6.055 1.00 1.00 C ATOM 435 O ARG A 29 24.393 -13.132 -5.477 1.00 1.00 O ATOM 436 CB ARG A 29 21.658 -14.617 -4.974 1.00 1.00 C ATOM 437 CG ARG A 29 21.158 -16.060 -4.943 1.00 1.00 C ATOM 438 CD ARG A 29 20.154 -16.221 -3.803 1.00 1.00 C ATOM 439 NE ARG A 29 19.944 -17.646 -3.526 1.00 1.00 N ATOM 440 CZ ARG A 29 20.030 -18.159 -2.292 1.00 1.00 C ATOM 441 NH1 ARG A 29 20.296 -17.396 -1.264 1.00 1.00 N ATOM 442 NH2 ARG A 29 19.839 -19.439 -2.111 1.00 1.00 N ATOM 0 H ARG A 29 23.188 -15.995 -7.391 1.00 1.00 H new ATOM 0 HA ARG A 29 21.827 -14.255 -7.102 1.00 1.00 H new ATOM 0 HB2 ARG A 29 22.264 -14.414 -4.091 1.00 1.00 H new ATOM 0 HB3 ARG A 29 20.812 -13.930 -4.945 1.00 1.00 H new ATOM 0 HG2 ARG A 29 20.690 -16.316 -5.894 1.00 1.00 H new ATOM 0 HG3 ARG A 29 21.995 -16.744 -4.805 1.00 1.00 H new ATOM 0 HD2 ARG A 29 20.521 -15.717 -2.909 1.00 1.00 H new ATOM 0 HD3 ARG A 29 19.208 -15.749 -4.069 1.00 1.00 H new ATOM 0 HE ARG A 29 19.724 -18.270 -4.303 1.00 1.00 H new ATOM 0 HH11 ARG A 29 20.441 -16.395 -1.396 1.00 1.00 H new ATOM 0 HH12 ARG A 29 20.358 -17.802 -0.330 1.00 1.00 H new ATOM 0 HH21 ARG A 29 19.626 -20.040 -2.907 1.00 1.00 H new ATOM 0 HH22 ARG A 29 19.903 -19.837 -1.174 1.00 1.00 H new ATOM 456 N PRO A 30 22.817 -11.951 -6.518 1.00 1.00 N ATOM 457 CA PRO A 30 23.540 -10.655 -6.367 1.00 1.00 C ATOM 458 C PRO A 30 24.135 -10.440 -4.952 1.00 1.00 C ATOM 459 O PRO A 30 25.318 -10.147 -4.850 1.00 1.00 O ATOM 460 CB PRO A 30 22.506 -9.568 -6.732 1.00 1.00 C ATOM 461 CG PRO A 30 21.339 -10.268 -7.384 1.00 1.00 C ATOM 462 CD PRO A 30 21.541 -11.790 -7.236 1.00 1.00 C ATOM 0 HA PRO A 30 24.413 -10.625 -7.019 1.00 1.00 H new ATOM 0 HB2 PRO A 30 22.183 -9.029 -5.841 1.00 1.00 H new ATOM 0 HB3 PRO A 30 22.942 -8.833 -7.409 1.00 1.00 H new ATOM 0 HG2 PRO A 30 20.403 -9.962 -6.916 1.00 1.00 H new ATOM 0 HG3 PRO A 30 21.273 -9.995 -8.437 1.00 1.00 H new ATOM 0 HD2 PRO A 30 20.719 -12.243 -6.681 1.00 1.00 H new ATOM 0 HD3 PRO A 30 21.575 -12.278 -8.210 1.00 1.00 H new ATOM 470 N PRO A 31 23.367 -10.575 -3.871 1.00 1.00 N ATOM 471 CA PRO A 31 23.894 -10.372 -2.465 1.00 1.00 C ATOM 472 C PRO A 31 25.062 -11.316 -2.118 1.00 1.00 C ATOM 473 O PRO A 31 24.831 -12.504 -1.884 1.00 1.00 O ATOM 474 CB PRO A 31 22.667 -10.684 -1.568 1.00 1.00 C ATOM 475 CG PRO A 31 21.749 -11.485 -2.430 1.00 1.00 C ATOM 476 CD PRO A 31 21.930 -10.936 -3.839 1.00 1.00 C ATOM 0 HA PRO A 31 24.297 -9.368 -2.333 1.00 1.00 H new ATOM 0 HB2 PRO A 31 22.960 -11.242 -0.679 1.00 1.00 H new ATOM 0 HB3 PRO A 31 22.186 -9.768 -1.225 1.00 1.00 H new ATOM 0 HG2 PRO A 31 21.997 -12.546 -2.387 1.00 1.00 H new ATOM 0 HG3 PRO A 31 20.715 -11.386 -2.100 1.00 1.00 H new ATOM 0 HD2 PRO A 31 21.683 -11.679 -4.597 1.00 1.00 H new ATOM 0 HD3 PRO A 31 21.292 -10.071 -4.021 1.00 1.00 H new ATOM 484 N PRO A 32 26.298 -10.847 -2.062 1.00 1.00 N ATOM 485 CA PRO A 32 27.456 -11.736 -1.717 1.00 1.00 C ATOM 486 C PRO A 32 27.369 -12.265 -0.279 1.00 1.00 C ATOM 487 O PRO A 32 27.437 -13.471 -0.043 1.00 1.00 O ATOM 488 CB PRO A 32 28.698 -10.830 -1.897 1.00 1.00 C ATOM 489 CG PRO A 32 28.223 -9.653 -2.688 1.00 1.00 C ATOM 490 CD PRO A 32 26.756 -9.461 -2.308 1.00 1.00 C ATOM 0 HA PRO A 32 27.484 -12.625 -2.347 1.00 1.00 H new ATOM 0 HB2 PRO A 32 29.100 -10.518 -0.933 1.00 1.00 H new ATOM 0 HB3 PRO A 32 29.496 -11.358 -2.419 1.00 1.00 H new ATOM 0 HG2 PRO A 32 28.807 -8.763 -2.454 1.00 1.00 H new ATOM 0 HG3 PRO A 32 28.330 -9.832 -3.758 1.00 1.00 H new ATOM 0 HD2 PRO A 32 26.646 -8.835 -1.422 1.00 1.00 H new ATOM 0 HD3 PRO A 32 26.190 -8.984 -3.108 1.00 1.00 H new ATOM 498 N VAL A 33 27.223 -11.341 0.671 1.00 1.00 N ATOM 499 CA VAL A 33 27.133 -11.705 2.090 1.00 1.00 C ATOM 500 C VAL A 33 28.100 -12.836 2.433 1.00 1.00 C ATOM 501 O VAL A 33 27.688 -13.970 2.666 1.00 1.00 O ATOM 502 CB VAL A 33 25.706 -12.143 2.423 1.00 1.00 C ATOM 503 CG1 VAL A 33 25.547 -12.255 3.940 1.00 1.00 C ATOM 504 CG2 VAL A 33 24.723 -11.106 1.879 1.00 1.00 C ATOM 0 H VAL A 33 27.165 -10.339 0.488 1.00 1.00 H new ATOM 0 HA VAL A 33 27.401 -10.829 2.680 1.00 1.00 H new ATOM 0 HB VAL A 33 25.504 -13.113 1.968 1.00 1.00 H new ATOM 0 HG11 VAL A 33 24.530 -12.567 4.177 1.00 1.00 H new ATOM 0 HG12 VAL A 33 26.252 -12.991 4.326 1.00 1.00 H new ATOM 0 HG13 VAL A 33 25.746 -11.287 4.399 1.00 1.00 H new ATOM 0 HG21 VAL A 33 23.704 -11.413 2.113 1.00 1.00 H new ATOM 0 HG22 VAL A 33 24.925 -10.138 2.337 1.00 1.00 H new ATOM 0 HG23 VAL A 33 24.839 -11.027 0.798 1.00 1.00 H new ATOM 514 N PRO A 34 29.375 -12.543 2.472 1.00 1.00 N ATOM 515 CA PRO A 34 30.430 -13.541 2.792 1.00 1.00 C ATOM 516 C PRO A 34 30.646 -13.684 4.298 1.00 1.00 C ATOM 517 O PRO A 34 30.542 -12.711 5.046 1.00 1.00 O ATOM 518 CB PRO A 34 31.664 -12.967 2.088 1.00 1.00 C ATOM 519 CG PRO A 34 31.472 -11.475 2.123 1.00 1.00 C ATOM 520 CD PRO A 34 29.956 -11.214 2.221 1.00 1.00 C ATOM 0 HA PRO A 34 30.179 -14.549 2.463 1.00 1.00 H new ATOM 0 HB2 PRO A 34 32.582 -13.259 2.599 1.00 1.00 H new ATOM 0 HB3 PRO A 34 31.739 -13.332 1.064 1.00 1.00 H new ATOM 0 HG2 PRO A 34 31.993 -11.040 2.975 1.00 1.00 H new ATOM 0 HG3 PRO A 34 31.885 -11.013 1.227 1.00 1.00 H new ATOM 0 HD2 PRO A 34 29.723 -10.519 3.028 1.00 1.00 H new ATOM 0 HD3 PRO A 34 29.567 -10.777 1.301 1.00 1.00 H new ATOM 528 N ASN A 35 30.946 -14.911 4.736 1.00 1.00 N ATOM 529 CA ASN A 35 31.174 -15.190 6.163 1.00 1.00 C ATOM 530 C ASN A 35 32.639 -15.583 6.418 1.00 1.00 C ATOM 531 O ASN A 35 33.244 -15.142 7.394 1.00 1.00 O ATOM 532 CB ASN A 35 30.232 -16.324 6.643 1.00 1.00 C ATOM 533 CG ASN A 35 29.118 -16.566 5.624 1.00 1.00 C ATOM 534 OD1 ASN A 35 28.414 -15.559 5.189 1.00 1.00 O flip ATOM 535 ND2 ASN A 35 28.889 -17.705 5.215 1.00 1.00 N flip ATOM 0 H ASN A 35 31.037 -15.725 4.128 1.00 1.00 H new ATOM 0 HA ASN A 35 30.958 -14.282 6.726 1.00 1.00 H new ATOM 0 HB2 ASN A 35 30.803 -17.241 6.790 1.00 1.00 H new ATOM 0 HB3 ASN A 35 29.799 -16.060 7.608 1.00 1.00 H new ATOM 0 HD21 ASN A 35 29.442 -18.491 5.558 1.00 1.00 H new ATOM 0 HD22 ASN A 35 28.146 -17.863 4.534 1.00 1.00 H new ATOM 542 N PRO A 36 33.204 -16.410 5.568 1.00 1.00 N ATOM 543 CA PRO A 36 34.617 -16.887 5.714 1.00 1.00 C ATOM 544 C PRO A 36 35.635 -15.742 5.666 1.00 1.00 C ATOM 545 O PRO A 36 36.755 -15.881 6.153 1.00 1.00 O ATOM 546 CB PRO A 36 34.805 -17.866 4.531 1.00 1.00 C ATOM 547 CG PRO A 36 33.421 -18.220 4.092 1.00 1.00 C ATOM 548 CD PRO A 36 32.565 -16.991 4.378 1.00 1.00 C ATOM 0 HA PRO A 36 34.788 -17.356 6.683 1.00 1.00 H new ATOM 0 HB2 PRO A 36 35.368 -17.402 3.721 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.360 -18.753 4.838 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.400 -18.473 3.032 1.00 1.00 H new ATOM 0 HG3 PRO A 36 33.050 -19.090 4.634 1.00 1.00 H new ATOM 0 HD2 PRO A 36 32.566 -16.295 3.539 1.00 1.00 H new ATOM 0 HD3 PRO A 36 31.526 -17.259 4.569 1.00 1.00 H new ATOM 556 N ASP A 37 35.244 -14.614 5.074 1.00 1.00 N ATOM 557 CA ASP A 37 36.150 -13.464 4.975 1.00 1.00 C ATOM 558 C ASP A 37 36.028 -12.568 6.206 1.00 1.00 C ATOM 559 O ASP A 37 36.690 -11.532 6.296 1.00 1.00 O ATOM 560 CB ASP A 37 35.849 -12.649 3.711 1.00 1.00 C ATOM 561 CG ASP A 37 34.545 -11.873 3.866 1.00 1.00 C ATOM 562 OD1 ASP A 37 33.791 -12.191 4.770 1.00 1.00 O ATOM 563 OD2 ASP A 37 34.324 -10.964 3.082 1.00 1.00 O ATOM 0 H ASP A 37 34.322 -14.470 4.661 1.00 1.00 H new ATOM 0 HA ASP A 37 37.170 -13.845 4.919 1.00 1.00 H new ATOM 0 HB2 ASP A 37 36.668 -11.957 3.515 1.00 1.00 H new ATOM 0 HB3 ASP A 37 35.781 -13.315 2.851 1.00 1.00 H new ATOM 568 N TYR A 38 35.176 -12.968 7.152 1.00 1.00 N ATOM 569 CA TYR A 38 34.973 -12.187 8.380 1.00 1.00 C ATOM 570 C TYR A 38 35.782 -12.776 9.535 1.00 1.00 C ATOM 571 O TYR A 38 35.601 -12.385 10.687 1.00 1.00 O ATOM 572 CB TYR A 38 33.482 -12.175 8.762 1.00 1.00 C ATOM 573 CG TYR A 38 33.165 -10.942 9.582 1.00 1.00 C ATOM 574 CD1 TYR A 38 33.072 -9.696 8.952 1.00 1.00 C ATOM 575 CD2 TYR A 38 32.972 -11.042 10.966 1.00 1.00 C ATOM 576 CE1 TYR A 38 32.781 -8.550 9.702 1.00 1.00 C ATOM 577 CE2 TYR A 38 32.681 -9.897 11.717 1.00 1.00 C ATOM 578 CZ TYR A 38 32.588 -8.650 11.085 1.00 1.00 C ATOM 579 OH TYR A 38 32.302 -7.521 11.825 1.00 1.00 O ATOM 0 H TYR A 38 34.618 -13.820 7.095 1.00 1.00 H new ATOM 0 HA TYR A 38 35.311 -11.168 8.191 1.00 1.00 H new ATOM 0 HB2 TYR A 38 32.868 -12.190 7.862 1.00 1.00 H new ATOM 0 HB3 TYR A 38 33.237 -13.072 9.330 1.00 1.00 H new ATOM 0 HD1 TYR A 38 33.225 -9.618 7.886 1.00 1.00 H new ATOM 0 HD2 TYR A 38 33.048 -12.003 11.454 1.00 1.00 H new ATOM 0 HE1 TYR A 38 32.705 -7.590 9.214 1.00 1.00 H new ATOM 0 HE2 TYR A 38 32.528 -9.975 12.783 1.00 1.00 H new ATOM 0 HH TYR A 38 32.197 -7.766 12.768 1.00 1.00 H new ATOM 589 N GLU A 39 36.672 -13.722 9.225 1.00 1.00 N ATOM 590 CA GLU A 39 37.502 -14.360 10.250 1.00 1.00 C ATOM 591 C GLU A 39 38.983 -14.276 9.875 1.00 1.00 C ATOM 592 O GLU A 39 39.707 -15.269 9.953 1.00 1.00 O ATOM 593 CB GLU A 39 37.097 -15.832 10.407 1.00 1.00 C ATOM 594 CG GLU A 39 35.632 -15.919 10.850 1.00 1.00 C ATOM 595 CD GLU A 39 35.095 -17.326 10.610 1.00 1.00 C ATOM 596 OE1 GLU A 39 35.440 -18.210 11.375 1.00 1.00 O ATOM 597 OE2 GLU A 39 34.344 -17.499 9.663 1.00 1.00 O ATOM 0 H GLU A 39 36.836 -14.062 8.277 1.00 1.00 H new ATOM 0 HA GLU A 39 37.348 -13.835 11.193 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.234 -16.360 9.463 1.00 1.00 H new ATOM 0 HB3 GLU A 39 37.739 -16.320 11.141 1.00 1.00 H new ATOM 0 HG2 GLU A 39 35.548 -15.664 11.906 1.00 1.00 H new ATOM 0 HG3 GLU A 39 35.033 -15.194 10.299 1.00 1.00 H new ATOM 604 N PRO A 40 39.442 -13.110 9.479 1.00 1.00 N ATOM 605 CA PRO A 40 40.873 -12.885 9.086 1.00 1.00 C ATOM 606 C PRO A 40 41.838 -13.046 10.267 1.00 1.00 C ATOM 607 O PRO A 40 42.942 -12.501 10.260 1.00 1.00 O ATOM 608 CB PRO A 40 40.879 -11.442 8.551 1.00 1.00 C ATOM 609 CG PRO A 40 39.698 -10.783 9.193 1.00 1.00 C ATOM 610 CD PRO A 40 38.646 -11.876 9.356 1.00 1.00 C ATOM 0 HA PRO A 40 41.216 -13.616 8.354 1.00 1.00 H new ATOM 0 HB2 PRO A 40 41.805 -10.929 8.810 1.00 1.00 H new ATOM 0 HB3 PRO A 40 40.798 -11.424 7.464 1.00 1.00 H new ATOM 0 HG2 PRO A 40 39.967 -10.353 10.158 1.00 1.00 H new ATOM 0 HG3 PRO A 40 39.322 -9.968 8.575 1.00 1.00 H new ATOM 0 HD2 PRO A 40 38.028 -11.709 10.238 1.00 1.00 H new ATOM 0 HD3 PRO A 40 37.974 -11.916 8.499 1.00 1.00 H new ATOM 618 N ILE A 41 41.403 -13.791 11.274 1.00 1.00 N ATOM 619 CA ILE A 41 42.206 -14.031 12.475 1.00 1.00 C ATOM 620 C ILE A 41 42.932 -15.372 12.384 1.00 1.00 C ATOM 621 O ILE A 41 43.665 -15.757 13.293 1.00 1.00 O ATOM 622 CB ILE A 41 41.290 -14.015 13.716 1.00 1.00 C ATOM 623 CG1 ILE A 41 40.548 -12.649 13.819 1.00 1.00 C ATOM 624 CG2 ILE A 41 42.134 -14.254 14.983 1.00 1.00 C ATOM 625 CD1 ILE A 41 39.180 -12.722 13.114 1.00 1.00 C ATOM 0 H ILE A 41 40.490 -14.245 11.286 1.00 1.00 H new ATOM 0 HA ILE A 41 42.954 -13.242 12.559 1.00 1.00 H new ATOM 0 HB ILE A 41 40.548 -14.808 13.623 1.00 1.00 H new ATOM 0 HG12 ILE A 41 40.410 -12.382 14.867 1.00 1.00 H new ATOM 0 HG13 ILE A 41 41.155 -11.864 13.367 1.00 1.00 H new ATOM 0 HG21 ILE A 41 41.486 -14.243 15.859 1.00 1.00 H new ATOM 0 HG22 ILE A 41 42.631 -15.221 14.912 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.883 -13.467 15.075 1.00 1.00 H new ATOM 0 HD11 ILE A 41 38.676 -11.759 13.196 1.00 1.00 H new ATOM 0 HD12 ILE A 41 39.326 -12.967 12.062 1.00 1.00 H new ATOM 0 HD13 ILE A 41 38.569 -13.492 13.584 1.00 1.00 H new ATOM 637 N ARG A 42 42.731 -16.077 11.277 1.00 1.00 N ATOM 638 CA ARG A 42 43.381 -17.387 11.078 1.00 1.00 C ATOM 639 C ARG A 42 44.695 -17.236 10.307 1.00 1.00 C ATOM 640 O ARG A 42 44.706 -17.237 9.076 1.00 1.00 O ATOM 641 CB ARG A 42 42.447 -18.355 10.317 1.00 1.00 C ATOM 642 CG ARG A 42 41.429 -18.982 11.279 1.00 1.00 C ATOM 643 CD ARG A 42 40.748 -17.893 12.111 1.00 1.00 C ATOM 644 NE ARG A 42 39.560 -18.439 12.763 1.00 1.00 N ATOM 645 CZ ARG A 42 39.097 -17.937 13.905 1.00 1.00 C ATOM 646 NH1 ARG A 42 39.718 -16.946 14.485 1.00 1.00 N ATOM 647 NH2 ARG A 42 38.024 -18.442 14.447 1.00 1.00 N ATOM 0 H ARG A 42 42.133 -15.777 10.507 1.00 1.00 H new ATOM 0 HA ARG A 42 43.595 -17.799 12.064 1.00 1.00 H new ATOM 0 HB2 ARG A 42 41.925 -17.819 9.524 1.00 1.00 H new ATOM 0 HB3 ARG A 42 43.036 -19.138 9.839 1.00 1.00 H new ATOM 0 HG2 ARG A 42 40.681 -19.540 10.716 1.00 1.00 H new ATOM 0 HG3 ARG A 42 41.929 -19.693 11.937 1.00 1.00 H new ATOM 0 HD2 ARG A 42 41.440 -17.508 12.860 1.00 1.00 H new ATOM 0 HD3 ARG A 42 40.471 -17.054 11.472 1.00 1.00 H new ATOM 0 HE ARG A 42 39.073 -19.225 12.332 1.00 1.00 H new ATOM 0 HH11 ARG A 42 40.560 -16.555 14.063 1.00 1.00 H new ATOM 0 HH12 ARG A 42 39.361 -16.563 15.360 1.00 1.00 H new ATOM 0 HH21 ARG A 42 37.542 -19.220 13.996 1.00 1.00 H new ATOM 0 HH22 ARG A 42 37.666 -18.060 15.322 1.00 1.00 H new ATOM 661 N LYS A 43 45.800 -17.119 11.041 1.00 1.00 N ATOM 662 CA LYS A 43 47.110 -16.987 10.421 1.00 1.00 C ATOM 663 C LYS A 43 48.234 -17.186 11.456 1.00 1.00 C ATOM 664 O LYS A 43 48.184 -16.626 12.551 1.00 1.00 O ATOM 665 CB LYS A 43 47.239 -15.603 9.794 1.00 1.00 C ATOM 666 CG LYS A 43 46.750 -14.526 10.779 1.00 1.00 C ATOM 667 CD LYS A 43 47.424 -13.191 10.452 1.00 1.00 C ATOM 668 CE LYS A 43 46.915 -12.112 11.406 1.00 1.00 C ATOM 669 NZ LYS A 43 47.602 -10.827 11.103 1.00 1.00 N ATOM 0 H LYS A 43 45.811 -17.113 12.061 1.00 1.00 H new ATOM 0 HA LYS A 43 47.206 -17.755 9.654 1.00 1.00 H new ATOM 0 HB2 LYS A 43 48.278 -15.414 9.523 1.00 1.00 H new ATOM 0 HB3 LYS A 43 46.656 -15.557 8.874 1.00 1.00 H new ATOM 0 HG2 LYS A 43 45.667 -14.424 10.714 1.00 1.00 H new ATOM 0 HG3 LYS A 43 46.982 -14.822 11.802 1.00 1.00 H new ATOM 0 HD2 LYS A 43 48.506 -13.287 10.540 1.00 1.00 H new ATOM 0 HD3 LYS A 43 47.212 -12.908 9.421 1.00 1.00 H new ATOM 0 HE2 LYS A 43 45.836 -11.995 11.300 1.00 1.00 H new ATOM 0 HE3 LYS A 43 47.104 -12.404 12.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 47.309 -10.106 11.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 48.632 -10.962 11.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 47.346 -10.514 10.145 1.00 1.00 H new ATOM 683 N GLY A 44 49.246 -17.987 11.114 1.00 1.00 N ATOM 684 CA GLY A 44 50.358 -18.229 12.045 1.00 1.00 C ATOM 685 C GLY A 44 51.294 -17.019 12.156 1.00 1.00 C ATOM 686 O GLY A 44 51.554 -16.531 13.256 1.00 1.00 O ATOM 0 H GLY A 44 49.322 -18.471 10.220 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.959 -18.469 13.030 1.00 1.00 H new ATOM 0 HA3 GLY A 44 50.927 -19.097 11.711 1.00 1.00 H new ATOM 690 N GLN A 45 51.804 -16.541 11.017 1.00 1.00 N ATOM 691 CA GLN A 45 52.717 -15.389 11.012 1.00 1.00 C ATOM 692 C GLN A 45 53.694 -15.464 12.179 1.00 1.00 C ATOM 693 O GLN A 45 53.494 -14.832 13.216 1.00 1.00 O ATOM 694 CB GLN A 45 51.913 -14.095 11.103 1.00 1.00 C ATOM 695 CG GLN A 45 52.854 -12.889 11.045 1.00 1.00 C ATOM 696 CD GLN A 45 52.043 -11.600 10.986 1.00 1.00 C ATOM 697 OE1 GLN A 45 50.790 -11.609 11.355 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 52.565 -10.554 10.597 1.00 1.00 N flip ATOM 0 H GLN A 45 51.604 -16.928 10.094 1.00 1.00 H new ATOM 0 HA GLN A 45 53.286 -15.406 10.082 1.00 1.00 H new ATOM 0 HB2 GLN A 45 51.194 -14.046 10.285 1.00 1.00 H new ATOM 0 HB3 GLN A 45 51.342 -14.077 12.031 1.00 1.00 H new ATOM 0 HG2 GLN A 45 53.503 -12.881 11.921 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.500 -12.963 10.170 1.00 1.00 H new ATOM 0 HE21 GLN A 45 53.544 -10.549 10.309 1.00 1.00 H new ATOM 0 HE22 GLN A 45 52.019 -9.693 10.563 1.00 1.00 H new ATOM 707 N ARG A 46 54.753 -16.237 11.990 1.00 1.00 N ATOM 708 CA ARG A 46 55.774 -16.395 13.018 1.00 1.00 C ATOM 709 C ARG A 46 56.945 -17.215 12.484 1.00 1.00 C ATOM 710 O ARG A 46 58.013 -17.256 13.092 1.00 1.00 O ATOM 711 CB ARG A 46 55.174 -17.086 14.255 1.00 1.00 C ATOM 712 CG ARG A 46 56.216 -17.146 15.407 1.00 1.00 C ATOM 713 CD ARG A 46 56.769 -18.572 15.560 1.00 1.00 C ATOM 714 NE ARG A 46 57.673 -18.637 16.698 1.00 1.00 N ATOM 715 CZ ARG A 46 58.936 -18.248 16.591 1.00 1.00 C ATOM 716 NH1 ARG A 46 59.381 -17.789 15.454 1.00 1.00 N ATOM 717 NH2 ARG A 46 59.730 -18.319 17.623 1.00 1.00 N ATOM 0 H ARG A 46 54.929 -16.765 11.135 1.00 1.00 H new ATOM 0 HA ARG A 46 56.138 -15.407 13.301 1.00 1.00 H new ATOM 0 HB2 ARG A 46 54.288 -16.545 14.587 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.853 -18.095 13.995 1.00 1.00 H new ATOM 0 HG2 ARG A 46 57.032 -16.453 15.203 1.00 1.00 H new ATOM 0 HG3 ARG A 46 55.753 -16.827 16.341 1.00 1.00 H new ATOM 0 HD2 ARG A 46 55.948 -19.276 15.697 1.00 1.00 H new ATOM 0 HD3 ARG A 46 57.294 -18.867 14.651 1.00 1.00 H new ATOM 0 HE ARG A 46 57.330 -18.987 17.592 1.00 1.00 H new ATOM 0 HH11 ARG A 46 58.758 -17.730 14.649 1.00 1.00 H new ATOM 0 HH12 ARG A 46 60.352 -17.489 15.370 1.00 1.00 H new ATOM 0 HH21 ARG A 46 59.379 -18.674 18.513 1.00 1.00 H new ATOM 0 HH22 ARG A 46 60.702 -18.020 17.540 1.00 1.00 H new ATOM 731 N ASP A 47 56.739 -17.862 11.335 1.00 1.00 N ATOM 732 CA ASP A 47 57.791 -18.675 10.723 1.00 1.00 C ATOM 733 C ASP A 47 58.602 -17.839 9.744 1.00 1.00 C ATOM 734 O ASP A 47 59.549 -18.335 9.131 1.00 1.00 O ATOM 735 CB ASP A 47 57.182 -19.877 9.986 1.00 1.00 C ATOM 736 CG ASP A 47 56.397 -20.747 10.962 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.717 -20.718 12.138 1.00 1.00 O ATOM 738 OD2 ASP A 47 55.488 -21.426 10.516 1.00 1.00 O ATOM 0 H ASP A 47 55.862 -17.840 10.814 1.00 1.00 H new ATOM 0 HA ASP A 47 58.446 -19.037 11.516 1.00 1.00 H new ATOM 0 HB2 ASP A 47 56.526 -19.530 9.188 1.00 1.00 H new ATOM 0 HB3 ASP A 47 57.972 -20.464 9.517 1.00 1.00 H new ATOM 743 N LEU A 48 58.230 -16.572 9.593 1.00 1.00 N ATOM 744 CA LEU A 48 58.947 -15.699 8.673 1.00 1.00 C ATOM 745 C LEU A 48 60.408 -15.573 9.140 1.00 1.00 C ATOM 746 O LEU A 48 61.324 -15.459 8.325 1.00 1.00 O ATOM 747 CB LEU A 48 58.264 -14.310 8.600 1.00 1.00 C ATOM 748 CG LEU A 48 58.465 -13.673 7.214 1.00 1.00 C ATOM 749 CD1 LEU A 48 57.767 -12.308 7.176 1.00 1.00 C ATOM 750 CD2 LEU A 48 59.960 -13.506 6.907 1.00 1.00 C ATOM 0 H LEU A 48 57.452 -16.134 10.086 1.00 1.00 H new ATOM 0 HA LEU A 48 58.928 -16.127 7.671 1.00 1.00 H new ATOM 0 HB2 LEU A 48 57.199 -14.413 8.807 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.676 -13.656 9.369 1.00 1.00 H new ATOM 0 HG LEU A 48 58.031 -14.327 6.458 1.00 1.00 H new ATOM 0 HD11 LEU A 48 57.908 -11.854 6.195 1.00 1.00 H new ATOM 0 HD12 LEU A 48 56.702 -12.439 7.366 1.00 1.00 H new ATOM 0 HD13 LEU A 48 58.195 -11.659 7.940 1.00 1.00 H new ATOM 0 HD21 LEU A 48 60.081 -13.054 5.923 1.00 1.00 H new ATOM 0 HD22 LEU A 48 60.416 -12.863 7.660 1.00 1.00 H new ATOM 0 HD23 LEU A 48 60.445 -14.482 6.920 1.00 1.00 H new ATOM 762 N TYR A 49 60.619 -15.603 10.463 1.00 1.00 N ATOM 763 CA TYR A 49 61.972 -15.493 11.019 1.00 1.00 C ATOM 764 C TYR A 49 62.854 -16.675 10.600 1.00 1.00 C ATOM 765 O TYR A 49 64.037 -16.498 10.310 1.00 1.00 O ATOM 766 CB TYR A 49 61.927 -15.405 12.553 1.00 1.00 C ATOM 767 CG TYR A 49 61.151 -14.179 12.972 1.00 1.00 C ATOM 768 CD1 TYR A 49 61.788 -12.932 13.045 1.00 1.00 C ATOM 769 CD2 TYR A 49 59.789 -14.287 13.275 1.00 1.00 C ATOM 770 CE1 TYR A 49 61.062 -11.797 13.429 1.00 1.00 C ATOM 771 CE2 TYR A 49 59.065 -13.153 13.660 1.00 1.00 C ATOM 772 CZ TYR A 49 59.700 -11.908 13.731 1.00 1.00 C ATOM 773 OH TYR A 49 58.983 -10.790 14.101 1.00 1.00 O ATOM 0 H TYR A 49 59.880 -15.701 11.159 1.00 1.00 H new ATOM 0 HA TYR A 49 62.409 -14.578 10.618 1.00 1.00 H new ATOM 0 HB2 TYR A 49 61.461 -16.300 12.964 1.00 1.00 H new ATOM 0 HB3 TYR A 49 62.940 -15.360 12.954 1.00 1.00 H new ATOM 0 HD1 TYR A 49 62.838 -12.847 12.805 1.00 1.00 H new ATOM 0 HD2 TYR A 49 59.296 -15.246 13.212 1.00 1.00 H new ATOM 0 HE1 TYR A 49 61.553 -10.837 13.492 1.00 1.00 H new ATOM 0 HE2 TYR A 49 58.016 -13.239 13.902 1.00 1.00 H new ATOM 0 HH TYR A 49 58.052 -11.041 14.275 1.00 1.00 H new ATOM 783 N SER A 50 62.280 -17.878 10.582 1.00 1.00 N ATOM 784 CA SER A 50 63.037 -19.072 10.207 1.00 1.00 C ATOM 785 C SER A 50 63.439 -19.030 8.738 1.00 1.00 C ATOM 786 O SER A 50 64.537 -19.449 8.371 1.00 1.00 O ATOM 787 CB SER A 50 62.194 -20.321 10.453 1.00 1.00 C ATOM 788 OG SER A 50 60.992 -20.229 9.699 1.00 1.00 O ATOM 0 H SER A 50 61.303 -18.051 10.820 1.00 1.00 H new ATOM 0 HA SER A 50 63.939 -19.101 10.819 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.751 -21.213 10.165 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.965 -20.417 11.514 1.00 1.00 H new ATOM 0 HG SER A 50 60.475 -19.454 10.002 1.00 1.00 H new ATOM 794 N GLY A 51 62.536 -18.534 7.905 1.00 1.00 N ATOM 795 CA GLY A 51 62.800 -18.452 6.467 1.00 1.00 C ATOM 796 C GLY A 51 63.628 -17.218 6.144 1.00 1.00 C ATOM 797 O GLY A 51 63.882 -16.917 4.977 1.00 1.00 O ATOM 0 H GLY A 51 61.622 -18.184 8.191 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.327 -19.347 6.137 1.00 1.00 H new ATOM 0 HA3 GLY A 51 61.858 -18.418 5.920 1.00 1.00 H new ATOM 801 N LEU A 52 64.034 -16.494 7.184 1.00 1.00 N ATOM 802 CA LEU A 52 64.820 -15.270 6.997 1.00 1.00 C ATOM 803 C LEU A 52 66.312 -15.589 6.891 1.00 1.00 C ATOM 804 O LEU A 52 67.113 -14.729 6.532 1.00 1.00 O ATOM 805 CB LEU A 52 64.560 -14.287 8.169 1.00 1.00 C ATOM 806 CG LEU A 52 64.367 -12.845 7.659 1.00 1.00 C ATOM 807 CD1 LEU A 52 65.646 -12.382 6.946 1.00 1.00 C ATOM 808 CD2 LEU A 52 63.144 -12.767 6.707 1.00 1.00 C ATOM 0 H LEU A 52 63.836 -16.727 8.157 1.00 1.00 H new ATOM 0 HA LEU A 52 64.508 -14.800 6.064 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.674 -14.602 8.720 1.00 1.00 H new ATOM 0 HB3 LEU A 52 65.397 -14.319 8.866 1.00 1.00 H new ATOM 0 HG LEU A 52 64.175 -12.184 8.504 1.00 1.00 H new ATOM 0 HD11 LEU A 52 65.512 -11.363 6.584 1.00 1.00 H new ATOM 0 HD12 LEU A 52 66.483 -12.413 7.644 1.00 1.00 H new ATOM 0 HD13 LEU A 52 65.852 -13.042 6.103 1.00 1.00 H new ATOM 0 HD21 LEU A 52 63.021 -11.743 6.356 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.304 -13.426 5.854 1.00 1.00 H new ATOM 0 HD23 LEU A 52 62.246 -13.077 7.242 1.00 1.00 H new ATOM 820 N ASN A 53 66.683 -16.827 7.202 1.00 1.00 N ATOM 821 CA ASN A 53 68.090 -17.229 7.130 1.00 1.00 C ATOM 822 C ASN A 53 68.755 -16.663 5.884 1.00 1.00 C ATOM 823 O ASN A 53 69.922 -16.274 5.924 1.00 1.00 O ATOM 824 CB ASN A 53 68.224 -18.763 7.133 1.00 1.00 C ATOM 825 CG ASN A 53 67.318 -19.361 6.063 1.00 1.00 C ATOM 826 OD1 ASN A 53 66.027 -19.387 6.254 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 67.798 -19.810 5.021 1.00 1.00 N flip ATOM 0 H ASN A 53 66.043 -17.562 7.502 1.00 1.00 H new ATOM 0 HA ASN A 53 68.591 -16.828 8.011 1.00 1.00 H new ATOM 0 HB2 ASN A 53 69.260 -19.047 6.947 1.00 1.00 H new ATOM 0 HB3 ASN A 53 67.956 -19.159 8.113 1.00 1.00 H new ATOM 0 HD21 ASN A 53 68.807 -19.789 4.874 1.00 1.00 H new ATOM 0 HD22 ASN A 53 67.186 -20.203 4.306 1.00 1.00 H new ATOM 834 N GLN A 54 68.016 -16.618 4.775 1.00 1.00 N ATOM 835 CA GLN A 54 68.568 -16.102 3.522 1.00 1.00 C ATOM 836 C GLN A 54 69.968 -16.666 3.275 1.00 1.00 C ATOM 837 O GLN A 54 70.691 -16.191 2.399 1.00 1.00 O ATOM 838 CB GLN A 54 68.621 -14.573 3.561 1.00 1.00 C ATOM 839 CG GLN A 54 67.199 -14.013 3.478 1.00 1.00 C ATOM 840 CD GLN A 54 67.225 -12.496 3.621 1.00 1.00 C ATOM 841 OE1 GLN A 54 68.057 -11.954 4.349 1.00 1.00 O ATOM 842 NE2 GLN A 54 66.357 -11.774 2.967 1.00 1.00 N ATOM 0 H GLN A 54 67.046 -16.928 4.718 1.00 1.00 H new ATOM 0 HA GLN A 54 67.919 -16.417 2.705 1.00 1.00 H new ATOM 0 HB2 GLN A 54 69.103 -14.238 4.480 1.00 1.00 H new ATOM 0 HB3 GLN A 54 69.221 -14.198 2.732 1.00 1.00 H new ATOM 0 HG2 GLN A 54 66.746 -14.289 2.526 1.00 1.00 H new ATOM 0 HG3 GLN A 54 66.581 -14.450 4.263 1.00 1.00 H new ATOM 0 HE21 GLN A 54 65.669 -12.225 2.365 1.00 1.00 H new ATOM 0 HE22 GLN A 54 66.367 -10.758 3.058 1.00 1.00 H new ATOM 851 N ARG A 55 70.348 -17.677 4.055 1.00 1.00 N ATOM 852 CA ARG A 55 71.670 -18.289 3.907 1.00 1.00 C ATOM 853 C ARG A 55 72.759 -17.222 3.954 1.00 1.00 C ATOM 854 O ARG A 55 73.012 -16.537 2.962 1.00 1.00 O ATOM 855 CB ARG A 55 71.753 -19.046 2.575 1.00 1.00 C ATOM 856 CG ARG A 55 73.153 -19.650 2.410 1.00 1.00 C ATOM 857 CD ARG A 55 73.192 -20.507 1.147 1.00 1.00 C ATOM 858 NE ARG A 55 72.997 -19.669 -0.029 1.00 1.00 N ATOM 859 CZ ARG A 55 73.976 -18.897 -0.488 1.00 1.00 C ATOM 860 NH1 ARG A 55 75.108 -18.832 0.158 1.00 1.00 N ATOM 861 NH2 ARG A 55 73.800 -18.190 -1.571 1.00 1.00 N ATOM 0 H ARG A 55 69.768 -18.086 4.788 1.00 1.00 H new ATOM 0 HA ARG A 55 71.821 -18.987 4.730 1.00 1.00 H new ATOM 0 HB2 ARG A 55 71.001 -19.834 2.546 1.00 1.00 H new ATOM 0 HB3 ARG A 55 71.538 -18.370 1.747 1.00 1.00 H new ATOM 0 HG2 ARG A 55 73.898 -18.857 2.347 1.00 1.00 H new ATOM 0 HG3 ARG A 55 73.405 -20.255 3.281 1.00 1.00 H new ATOM 0 HD2 ARG A 55 74.148 -21.026 1.079 1.00 1.00 H new ATOM 0 HD3 ARG A 55 72.416 -21.271 1.192 1.00 1.00 H new ATOM 0 HE ARG A 55 72.096 -19.675 -0.507 1.00 1.00 H new ATOM 0 HH11 ARG A 55 75.239 -19.373 1.013 1.00 1.00 H new ATOM 0 HH12 ARG A 55 75.862 -18.240 -0.192 1.00 1.00 H new ATOM 0 HH21 ARG A 55 72.909 -18.230 -2.067 1.00 1.00 H new ATOM 0 HH22 ARG A 55 74.553 -17.598 -1.922 1.00 1.00 H new ATOM 875 N ALA A 56 73.404 -17.091 5.111 1.00 1.00 N ATOM 876 CA ALA A 56 74.477 -16.104 5.278 1.00 1.00 C ATOM 877 C ALA A 56 74.131 -14.802 4.562 1.00 1.00 C ATOM 878 O ALA A 56 74.852 -14.359 3.668 1.00 1.00 O ATOM 879 CB ALA A 56 75.789 -16.658 4.724 1.00 1.00 C ATOM 0 H ALA A 56 73.208 -17.649 5.942 1.00 1.00 H new ATOM 0 HA ALA A 56 74.589 -15.899 6.343 1.00 1.00 H new ATOM 0 HB1 ALA A 56 76.579 -15.918 4.852 1.00 1.00 H new ATOM 0 HB2 ALA A 56 76.054 -17.569 5.260 1.00 1.00 H new ATOM 0 HB3 ALA A 56 75.671 -16.882 3.664 1.00 1.00 H new ATOM 885 N VAL A 57 73.021 -14.200 4.966 1.00 1.00 N ATOM 886 CA VAL A 57 72.573 -12.945 4.360 1.00 1.00 C ATOM 887 C VAL A 57 72.718 -12.997 2.842 1.00 1.00 C ATOM 888 O VAL A 57 71.781 -13.433 2.193 1.00 1.00 O ATOM 889 CB VAL A 57 73.398 -11.782 4.911 1.00 1.00 C ATOM 890 CG1 VAL A 57 72.934 -10.473 4.267 1.00 1.00 C ATOM 891 CG2 VAL A 57 73.213 -11.701 6.428 1.00 1.00 C ATOM 892 OXT VAL A 57 73.762 -12.598 2.352 1.00 1.00 O ATOM 0 H VAL A 57 72.415 -14.554 5.706 1.00 1.00 H new ATOM 0 HA VAL A 57 71.521 -12.799 4.606 1.00 1.00 H new ATOM 0 HB VAL A 57 74.451 -11.943 4.681 1.00 1.00 H new ATOM 0 HG11 VAL A 57 73.523 -9.645 4.661 1.00 1.00 H new ATOM 0 HG12 VAL A 57 73.067 -10.532 3.187 1.00 1.00 H new ATOM 0 HG13 VAL A 57 71.881 -10.309 4.494 1.00 1.00 H new ATOM 0 HG21 VAL A 57 73.801 -10.872 6.822 1.00 1.00 H new ATOM 0 HG22 VAL A 57 72.160 -11.541 6.658 1.00 1.00 H new ATOM 0 HG23 VAL A 57 73.547 -12.632 6.885 1.00 1.00 H new TER 902 VAL A 57