USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot -80:sc= 1.61 USER MOD Set 1.2: A 70 TYR OH : rot -73:sc= 0.396 USER MOD Single : A 1 MET CE :methyl -139:sc= -1.72! (180deg=-2.1) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0.568 (180deg=0.208) USER MOD Single : A 9 TYR OH : rot -89:sc= 0.652 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -61:sc= -0.103 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 57:sc= 0.664 USER MOD Single : A 24 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.83) USER MOD Single : A 26 ASN : amide:sc= 0.0994 K(o=0.099,f=-3.5!) USER MOD Single : A 28 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.054) USER MOD Single : A 38 MET CE :methyl -169:sc= -1.65 (180deg=-2.32) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 47 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.461 K(o=0.46,f=-0.63) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.755 14.068 6.312 1.00 75.40 N ATOM 2 CA MET A 1 -5.136 13.679 5.018 1.00 73.21 C ATOM 3 C MET A 1 -6.070 12.771 4.204 1.00 64.11 C ATOM 4 O MET A 1 -6.596 11.786 4.724 1.00 34.34 O ATOM 5 CB MET A 1 -3.804 12.954 5.258 1.00 52.32 C ATOM 6 CG MET A 1 -3.076 12.563 3.976 1.00 3.21 C ATOM 7 SD MET A 1 -1.588 11.588 4.283 1.00 73.31 S ATOM 8 CE MET A 1 -2.295 10.109 5.007 1.00 55.11 C ATOM 0 H1 MET A 1 -5.101 14.681 6.839 1.00 75.40 H new ATOM 0 H2 MET A 1 -6.642 14.581 6.132 1.00 75.40 H new ATOM 0 H3 MET A 1 -5.956 13.214 6.871 1.00 75.40 H new ATOM 0 HA MET A 1 -4.957 14.593 4.451 1.00 73.21 H new ATOM 0 HB2 MET A 1 -3.154 13.596 5.853 1.00 52.32 H new ATOM 0 HB3 MET A 1 -3.991 12.056 5.847 1.00 52.32 H new ATOM 0 HG2 MET A 1 -3.753 11.993 3.339 1.00 3.21 H new ATOM 0 HG3 MET A 1 -2.806 13.466 3.428 1.00 3.21 H new ATOM 0 HE1 MET A 1 -1.675 9.780 5.841 1.00 55.11 H new ATOM 0 HE2 MET A 1 -3.301 10.325 5.366 1.00 55.11 H new ATOM 0 HE3 MET A 1 -2.339 9.321 4.255 1.00 55.11 H new ATOM 20 N ASP A 2 -6.264 13.105 2.933 1.00 42.21 N ATOM 21 CA ASP A 2 -7.060 12.281 2.022 1.00 34.51 C ATOM 22 C ASP A 2 -6.173 11.705 0.902 1.00 23.32 C ATOM 23 O ASP A 2 -5.215 12.345 0.460 1.00 40.00 O ATOM 24 CB ASP A 2 -8.208 13.113 1.435 1.00 13.11 C ATOM 25 CG ASP A 2 -9.142 12.289 0.565 1.00 72.12 C ATOM 26 OD1 ASP A 2 -9.657 11.262 1.053 1.00 41.34 O ATOM 27 OD2 ASP A 2 -9.369 12.665 -0.603 1.00 3.31 O ATOM 0 H ASP A 2 -5.879 13.947 2.505 1.00 42.21 H new ATOM 0 HA ASP A 2 -7.484 11.446 2.579 1.00 34.51 H new ATOM 0 HB2 ASP A 2 -8.778 13.563 2.248 1.00 13.11 H new ATOM 0 HB3 ASP A 2 -7.794 13.930 0.844 1.00 13.11 H new ATOM 32 N VAL A 3 -6.486 10.492 0.451 1.00 25.31 N ATOM 33 CA VAL A 3 -5.665 9.813 -0.559 1.00 11.41 C ATOM 34 C VAL A 3 -6.193 10.049 -1.983 1.00 34.35 C ATOM 35 O VAL A 3 -7.398 9.966 -2.242 1.00 71.32 O ATOM 36 CB VAL A 3 -5.583 8.290 -0.289 1.00 3.42 C ATOM 37 CG1 VAL A 3 -4.663 7.605 -1.301 1.00 61.14 C ATOM 38 CG2 VAL A 3 -5.105 8.029 1.136 1.00 3.53 C ATOM 0 H VAL A 3 -7.297 9.958 0.765 1.00 25.31 H new ATOM 0 HA VAL A 3 -4.667 10.244 -0.484 1.00 11.41 H new ATOM 0 HB VAL A 3 -6.581 7.868 -0.403 1.00 3.42 H new ATOM 0 HG11 VAL A 3 -4.622 6.536 -1.090 1.00 61.14 H new ATOM 0 HG12 VAL A 3 -5.049 7.762 -2.308 1.00 61.14 H new ATOM 0 HG13 VAL A 3 -3.661 8.028 -1.227 1.00 61.14 H new ATOM 0 HG21 VAL A 3 -5.052 6.954 1.311 1.00 3.53 H new ATOM 0 HG22 VAL A 3 -4.117 8.468 1.275 1.00 3.53 H new ATOM 0 HG23 VAL A 3 -5.804 8.478 1.842 1.00 3.53 H new ATOM 48 N GLU A 4 -5.272 10.336 -2.903 1.00 60.42 N ATOM 49 CA GLU A 4 -5.611 10.585 -4.307 1.00 12.12 C ATOM 50 C GLU A 4 -4.935 9.548 -5.222 1.00 43.04 C ATOM 51 O GLU A 4 -3.835 9.074 -4.923 1.00 5.23 O ATOM 52 CB GLU A 4 -5.147 11.990 -4.714 1.00 54.35 C ATOM 53 CG GLU A 4 -5.580 13.102 -3.767 1.00 64.11 C ATOM 54 CD GLU A 4 -5.005 14.451 -4.171 1.00 22.44 C ATOM 55 OE1 GLU A 4 -3.795 14.673 -3.956 1.00 75.44 O ATOM 56 OE2 GLU A 4 -5.752 15.284 -4.726 1.00 71.02 O ATOM 0 H GLU A 4 -4.275 10.403 -2.699 1.00 60.42 H new ATOM 0 HA GLU A 4 -6.693 10.505 -4.416 1.00 12.12 H new ATOM 0 HB2 GLU A 4 -4.059 11.993 -4.783 1.00 54.35 H new ATOM 0 HB3 GLU A 4 -5.530 12.210 -5.710 1.00 54.35 H new ATOM 0 HG2 GLU A 4 -6.668 13.162 -3.752 1.00 64.11 H new ATOM 0 HG3 GLU A 4 -5.260 12.860 -2.754 1.00 64.11 H new ATOM 63 N PRO A 5 -5.571 9.189 -6.353 1.00 30.31 N ATOM 64 CA PRO A 5 -4.985 8.242 -7.317 1.00 35.22 C ATOM 65 C PRO A 5 -3.756 8.821 -8.049 1.00 21.22 C ATOM 66 O PRO A 5 -3.842 9.863 -8.702 1.00 65.44 O ATOM 67 CB PRO A 5 -6.139 7.978 -8.300 1.00 30.03 C ATOM 68 CG PRO A 5 -7.004 9.191 -8.208 1.00 15.13 C ATOM 69 CD PRO A 5 -6.904 9.667 -6.782 1.00 41.01 C ATOM 0 HA PRO A 5 -4.611 7.342 -6.829 1.00 35.22 H new ATOM 0 HB2 PRO A 5 -5.769 7.832 -9.315 1.00 30.03 H new ATOM 0 HB3 PRO A 5 -6.691 7.078 -8.030 1.00 30.03 H new ATOM 0 HG2 PRO A 5 -6.669 9.963 -8.901 1.00 15.13 H new ATOM 0 HG3 PRO A 5 -8.036 8.955 -8.469 1.00 15.13 H new ATOM 0 HD2 PRO A 5 -6.983 10.752 -6.714 1.00 41.01 H new ATOM 0 HD3 PRO A 5 -7.699 9.251 -6.163 1.00 41.01 H new ATOM 77 N GLY A 6 -2.611 8.147 -7.924 1.00 72.13 N ATOM 78 CA GLY A 6 -1.395 8.581 -8.614 1.00 34.42 C ATOM 79 C GLY A 6 -0.502 9.504 -7.786 1.00 65.25 C ATOM 80 O GLY A 6 0.440 10.096 -8.316 1.00 33.42 O ATOM 0 H GLY A 6 -2.500 7.306 -7.357 1.00 72.13 H new ATOM 0 HA2 GLY A 6 -0.821 7.701 -8.903 1.00 34.42 H new ATOM 0 HA3 GLY A 6 -1.676 9.094 -9.534 1.00 34.42 H new ATOM 84 N LYS A 7 -0.774 9.626 -6.485 1.00 74.12 N ATOM 85 CA LYS A 7 -0.006 10.538 -5.618 1.00 61.34 C ATOM 86 C LYS A 7 0.966 9.789 -4.684 1.00 45.43 C ATOM 87 O LYS A 7 0.837 8.584 -4.463 1.00 52.12 O ATOM 88 CB LYS A 7 -0.958 11.415 -4.799 1.00 53.41 C ATOM 89 CG LYS A 7 -1.871 12.299 -5.648 1.00 21.01 C ATOM 90 CD LYS A 7 -1.082 13.210 -6.589 1.00 74.04 C ATOM 91 CE LYS A 7 -1.991 14.164 -7.358 1.00 71.32 C ATOM 92 NZ LYS A 7 -2.638 15.163 -6.466 1.00 62.13 N ATOM 0 H LYS A 7 -1.513 9.111 -6.006 1.00 74.12 H new ATOM 0 HA LYS A 7 0.600 11.167 -6.271 1.00 61.34 H new ATOM 0 HB2 LYS A 7 -1.574 10.774 -4.168 1.00 53.41 H new ATOM 0 HB3 LYS A 7 -0.371 12.049 -4.134 1.00 53.41 H new ATOM 0 HG2 LYS A 7 -2.542 11.670 -6.233 1.00 21.01 H new ATOM 0 HG3 LYS A 7 -2.495 12.908 -4.994 1.00 21.01 H new ATOM 0 HD2 LYS A 7 -0.357 13.785 -6.013 1.00 74.04 H new ATOM 0 HD3 LYS A 7 -0.517 12.600 -7.294 1.00 74.04 H new ATOM 0 HE2 LYS A 7 -1.409 14.682 -8.120 1.00 71.32 H new ATOM 0 HE3 LYS A 7 -2.759 13.592 -7.878 1.00 71.32 H new ATOM 0 HZ1 LYS A 7 -3.415 15.631 -6.975 1.00 62.13 H new ATOM 0 HZ2 LYS A 7 -3.015 14.684 -5.623 1.00 62.13 H new ATOM 0 HZ3 LYS A 7 -1.937 15.874 -6.175 1.00 62.13 H new ATOM 106 N PHE A 8 1.929 10.529 -4.129 1.00 0.33 N ATOM 107 CA PHE A 8 3.016 9.950 -3.321 1.00 50.31 C ATOM 108 C PHE A 8 2.705 9.977 -1.810 1.00 24.53 C ATOM 109 O PHE A 8 2.520 11.047 -1.224 1.00 51.14 O ATOM 110 CB PHE A 8 4.315 10.732 -3.579 1.00 50.13 C ATOM 111 CG PHE A 8 4.738 10.775 -5.031 1.00 65.25 C ATOM 112 CD1 PHE A 8 4.068 11.581 -5.945 1.00 64.54 C ATOM 113 CD2 PHE A 8 5.806 10.014 -5.482 1.00 60.23 C ATOM 114 CE1 PHE A 8 4.456 11.623 -7.271 1.00 0.01 C ATOM 115 CE2 PHE A 8 6.196 10.053 -6.808 1.00 54.33 C ATOM 116 CZ PHE A 8 5.520 10.857 -7.702 1.00 34.05 C ATOM 0 H PHE A 8 1.981 11.543 -4.224 1.00 0.33 H new ATOM 0 HA PHE A 8 3.124 8.907 -3.619 1.00 50.31 H new ATOM 0 HB2 PHE A 8 4.188 11.753 -3.219 1.00 50.13 H new ATOM 0 HB3 PHE A 8 5.117 10.285 -2.992 1.00 50.13 H new ATOM 0 HD1 PHE A 8 3.234 12.182 -5.614 1.00 64.54 H new ATOM 0 HD2 PHE A 8 6.340 9.382 -4.788 1.00 60.23 H new ATOM 0 HE1 PHE A 8 3.927 12.255 -7.969 1.00 0.01 H new ATOM 0 HE2 PHE A 8 7.030 9.454 -7.144 1.00 54.33 H new ATOM 0 HZ PHE A 8 5.823 10.887 -8.738 1.00 34.05 H new ATOM 126 N TYR A 9 2.679 8.798 -1.180 1.00 54.30 N ATOM 127 CA TYR A 9 2.445 8.681 0.272 1.00 52.41 C ATOM 128 C TYR A 9 3.295 7.553 0.898 1.00 23.11 C ATOM 129 O TYR A 9 3.350 6.444 0.373 1.00 21.21 O ATOM 130 CB TYR A 9 0.959 8.404 0.565 1.00 30.22 C ATOM 131 CG TYR A 9 0.006 9.524 0.175 1.00 52.50 C ATOM 132 CD1 TYR A 9 -0.044 10.706 0.907 1.00 54.31 C ATOM 133 CD2 TYR A 9 -0.845 9.397 -0.920 1.00 51.32 C ATOM 134 CE1 TYR A 9 -0.915 11.725 0.563 1.00 25.21 C ATOM 135 CE2 TYR A 9 -1.719 10.411 -1.269 1.00 74.20 C ATOM 136 CZ TYR A 9 -1.749 11.574 -0.525 1.00 63.05 C ATOM 137 OH TYR A 9 -2.614 12.594 -0.873 1.00 22.32 O ATOM 0 H TYR A 9 2.817 7.904 -1.652 1.00 54.30 H new ATOM 0 HA TYR A 9 2.738 9.632 0.717 1.00 52.41 H new ATOM 0 HB2 TYR A 9 0.664 7.496 0.038 1.00 30.22 H new ATOM 0 HB3 TYR A 9 0.845 8.206 1.631 1.00 30.22 H new ATOM 0 HD1 TYR A 9 0.608 10.831 1.759 1.00 54.31 H new ATOM 0 HD2 TYR A 9 -0.822 8.491 -1.507 1.00 51.32 H new ATOM 0 HE1 TYR A 9 -0.942 12.635 1.144 1.00 25.21 H new ATOM 0 HE2 TYR A 9 -2.375 10.294 -2.119 1.00 74.20 H new ATOM 0 HH TYR A 9 -3.462 12.481 -0.395 1.00 22.32 H new ATOM 147 N LYS A 10 3.961 7.836 2.019 1.00 33.40 N ATOM 148 CA LYS A 10 4.655 6.787 2.779 1.00 21.13 C ATOM 149 C LYS A 10 3.714 6.161 3.817 1.00 14.24 C ATOM 150 O LYS A 10 2.869 6.849 4.397 1.00 54.40 O ATOM 151 CB LYS A 10 5.900 7.334 3.497 1.00 22.55 C ATOM 152 CG LYS A 10 6.606 6.277 4.348 1.00 40.50 C ATOM 153 CD LYS A 10 7.693 6.860 5.248 1.00 30.21 C ATOM 154 CE LYS A 10 8.861 7.434 4.457 1.00 52.53 C ATOM 155 NZ LYS A 10 9.976 7.846 5.351 1.00 52.41 N ATOM 0 H LYS A 10 4.036 8.771 2.420 1.00 33.40 H new ATOM 0 HA LYS A 10 4.971 6.029 2.062 1.00 21.13 H new ATOM 0 HB2 LYS A 10 6.599 7.724 2.757 1.00 22.55 H new ATOM 0 HB3 LYS A 10 5.609 8.171 4.132 1.00 22.55 H new ATOM 0 HG2 LYS A 10 5.868 5.764 4.965 1.00 40.50 H new ATOM 0 HG3 LYS A 10 7.049 5.528 3.692 1.00 40.50 H new ATOM 0 HD2 LYS A 10 7.262 7.643 5.872 1.00 30.21 H new ATOM 0 HD3 LYS A 10 8.060 6.083 5.919 1.00 30.21 H new ATOM 0 HE2 LYS A 10 9.220 6.691 3.745 1.00 52.53 H new ATOM 0 HE3 LYS A 10 8.522 8.293 3.877 1.00 52.53 H new ATOM 0 HZ1 LYS A 10 10.754 8.232 4.780 1.00 52.41 H new ATOM 0 HZ2 LYS A 10 9.639 8.573 6.014 1.00 52.41 H new ATOM 0 HZ3 LYS A 10 10.315 7.021 5.886 1.00 52.41 H new ATOM 169 N GLY A 11 3.865 4.861 4.052 1.00 30.51 N ATOM 170 CA GLY A 11 3.057 4.181 5.055 1.00 3.55 C ATOM 171 C GLY A 11 3.770 2.997 5.694 1.00 33.13 C ATOM 172 O GLY A 11 4.903 2.670 5.330 1.00 33.44 O ATOM 0 H GLY A 11 4.533 4.263 3.566 1.00 30.51 H new ATOM 0 HA2 GLY A 11 2.779 4.893 5.832 1.00 3.55 H new ATOM 0 HA3 GLY A 11 2.132 3.835 4.594 1.00 3.55 H new ATOM 176 N VAL A 12 3.102 2.348 6.644 1.00 11.11 N ATOM 177 CA VAL A 12 3.672 1.193 7.348 1.00 11.35 C ATOM 178 C VAL A 12 2.823 -0.074 7.131 1.00 60.33 C ATOM 179 O VAL A 12 1.589 -0.021 7.146 1.00 21.14 O ATOM 180 CB VAL A 12 3.809 1.481 8.867 1.00 15.43 C ATOM 181 CG1 VAL A 12 2.446 1.736 9.508 1.00 72.53 C ATOM 182 CG2 VAL A 12 4.545 0.343 9.575 1.00 5.21 C ATOM 0 H VAL A 12 2.162 2.600 6.948 1.00 11.11 H new ATOM 0 HA VAL A 12 4.664 1.018 6.931 1.00 11.35 H new ATOM 0 HB VAL A 12 4.403 2.388 8.981 1.00 15.43 H new ATOM 0 HG11 VAL A 12 2.576 1.935 10.572 1.00 72.53 H new ATOM 0 HG12 VAL A 12 1.976 2.597 9.033 1.00 72.53 H new ATOM 0 HG13 VAL A 12 1.813 0.859 9.377 1.00 72.53 H new ATOM 0 HG21 VAL A 12 4.628 0.569 10.638 1.00 5.21 H new ATOM 0 HG22 VAL A 12 3.990 -0.586 9.444 1.00 5.21 H new ATOM 0 HG23 VAL A 12 5.542 0.234 9.148 1.00 5.21 H new ATOM 192 N VAL A 13 3.493 -1.206 6.915 1.00 3.24 N ATOM 193 CA VAL A 13 2.807 -2.485 6.679 1.00 10.43 C ATOM 194 C VAL A 13 2.203 -3.061 7.973 1.00 43.42 C ATOM 195 O VAL A 13 2.888 -3.181 8.993 1.00 74.41 O ATOM 196 CB VAL A 13 3.770 -3.532 6.064 1.00 53.10 C ATOM 197 CG1 VAL A 13 3.037 -4.841 5.774 1.00 60.24 C ATOM 198 CG2 VAL A 13 4.428 -2.985 4.795 1.00 25.53 C ATOM 0 H VAL A 13 4.511 -1.268 6.898 1.00 3.24 H new ATOM 0 HA VAL A 13 1.999 -2.276 5.978 1.00 10.43 H new ATOM 0 HB VAL A 13 4.555 -3.738 6.792 1.00 53.10 H new ATOM 0 HG11 VAL A 13 3.733 -5.560 5.343 1.00 60.24 H new ATOM 0 HG12 VAL A 13 2.629 -5.242 6.701 1.00 60.24 H new ATOM 0 HG13 VAL A 13 2.225 -4.655 5.071 1.00 60.24 H new ATOM 0 HG21 VAL A 13 5.100 -3.737 4.380 1.00 25.53 H new ATOM 0 HG22 VAL A 13 3.659 -2.742 4.062 1.00 25.53 H new ATOM 0 HG23 VAL A 13 4.995 -2.086 5.038 1.00 25.53 H new ATOM 208 N THR A 14 0.920 -3.423 7.917 1.00 13.32 N ATOM 209 CA THR A 14 0.213 -3.995 9.072 1.00 33.32 C ATOM 210 C THR A 14 0.261 -5.528 9.056 1.00 2.43 C ATOM 211 O THR A 14 0.688 -6.159 10.024 1.00 55.43 O ATOM 212 CB THR A 14 -1.268 -3.554 9.108 1.00 70.23 C ATOM 213 OG1 THR A 14 -1.994 -4.139 8.015 1.00 13.21 O ATOM 214 CG2 THR A 14 -1.385 -2.037 9.035 1.00 41.41 C ATOM 0 H THR A 14 0.344 -3.331 7.080 1.00 13.32 H new ATOM 0 HA THR A 14 0.725 -3.622 9.959 1.00 33.32 H new ATOM 0 HB THR A 14 -1.694 -3.898 10.051 1.00 70.23 H new ATOM 0 HG1 THR A 14 -1.607 -3.837 7.167 1.00 13.21 H new ATOM 0 HG21 THR A 14 -2.437 -1.751 9.062 1.00 41.41 H new ATOM 0 HG22 THR A 14 -0.866 -1.591 9.883 1.00 41.41 H new ATOM 0 HG23 THR A 14 -0.936 -1.682 8.107 1.00 41.41 H new ATOM 222 N ARG A 15 -0.199 -6.125 7.956 1.00 22.23 N ATOM 223 CA ARG A 15 -0.149 -7.584 7.781 1.00 40.24 C ATOM 224 C ARG A 15 0.095 -7.954 6.309 1.00 23.23 C ATOM 225 O ARG A 15 -0.219 -7.178 5.400 1.00 35.11 O ATOM 226 CB ARG A 15 -1.453 -8.234 8.278 1.00 14.31 C ATOM 227 CG ARG A 15 -2.667 -7.967 7.387 1.00 2.31 C ATOM 228 CD ARG A 15 -3.942 -8.593 7.954 1.00 4.11 C ATOM 229 NE ARG A 15 -4.938 -8.831 6.910 1.00 65.14 N ATOM 230 CZ ARG A 15 -6.206 -8.539 7.004 1.00 41.43 C ATOM 231 NH1 ARG A 15 -6.675 -7.929 8.046 1.00 52.41 N ATOM 232 NH2 ARG A 15 -7.005 -8.847 6.033 1.00 63.21 N ATOM 0 H ARG A 15 -0.612 -5.623 7.170 1.00 22.23 H new ATOM 0 HA ARG A 15 0.683 -7.963 8.375 1.00 40.24 H new ATOM 0 HB2 ARG A 15 -1.303 -9.311 8.354 1.00 14.31 H new ATOM 0 HB3 ARG A 15 -1.667 -7.870 9.283 1.00 14.31 H new ATOM 0 HG2 ARG A 15 -2.808 -6.892 7.279 1.00 2.31 H new ATOM 0 HG3 ARG A 15 -2.480 -8.366 6.390 1.00 2.31 H new ATOM 0 HD2 ARG A 15 -3.698 -9.535 8.445 1.00 4.11 H new ATOM 0 HD3 ARG A 15 -4.363 -7.936 8.715 1.00 4.11 H new ATOM 0 HE ARG A 15 -4.617 -9.258 6.041 1.00 65.14 H new ATOM 0 HH11 ARG A 15 -6.050 -7.669 8.809 1.00 52.41 H new ATOM 0 HH12 ARG A 15 -7.669 -7.708 8.103 1.00 52.41 H new ATOM 0 HH21 ARG A 15 -6.642 -9.314 5.202 1.00 63.21 H new ATOM 0 HH22 ARG A 15 -7.998 -8.622 6.099 1.00 63.21 H new ATOM 246 N ILE A 16 0.649 -9.143 6.080 1.00 33.32 N ATOM 247 CA ILE A 16 0.975 -9.605 4.727 1.00 72.52 C ATOM 248 C ILE A 16 -0.125 -10.517 4.165 1.00 12.50 C ATOM 249 O ILE A 16 -0.447 -11.553 4.749 1.00 3.21 O ATOM 250 CB ILE A 16 2.323 -10.372 4.707 1.00 22.00 C ATOM 251 CG1 ILE A 16 3.429 -9.533 5.371 1.00 14.44 C ATOM 252 CG2 ILE A 16 2.712 -10.749 3.274 1.00 74.33 C ATOM 253 CD1 ILE A 16 3.665 -8.190 4.711 1.00 52.23 C ATOM 0 H ILE A 16 0.884 -9.809 6.816 1.00 33.32 H new ATOM 0 HA ILE A 16 1.055 -8.716 4.102 1.00 72.52 H new ATOM 0 HB ILE A 16 2.203 -11.293 5.277 1.00 22.00 H new ATOM 0 HG12 ILE A 16 3.169 -9.371 6.417 1.00 14.44 H new ATOM 0 HG13 ILE A 16 4.359 -10.101 5.358 1.00 14.44 H new ATOM 0 HG21 ILE A 16 3.660 -11.286 3.284 1.00 74.33 H new ATOM 0 HG22 ILE A 16 1.939 -11.385 2.843 1.00 74.33 H new ATOM 0 HG23 ILE A 16 2.814 -9.844 2.675 1.00 74.33 H new ATOM 0 HD11 ILE A 16 4.459 -7.660 5.238 1.00 52.23 H new ATOM 0 HD12 ILE A 16 3.957 -8.342 3.672 1.00 52.23 H new ATOM 0 HD13 ILE A 16 2.749 -7.600 4.748 1.00 52.23 H new ATOM 265 N GLU A 17 -0.692 -10.130 3.028 1.00 45.42 N ATOM 266 CA GLU A 17 -1.740 -10.916 2.368 1.00 4.23 C ATOM 267 C GLU A 17 -1.182 -11.665 1.151 1.00 0.52 C ATOM 268 O GLU A 17 -0.151 -11.291 0.596 1.00 11.53 O ATOM 269 CB GLU A 17 -2.890 -9.997 1.923 1.00 34.25 C ATOM 270 CG GLU A 17 -3.539 -9.213 3.059 1.00 3.43 C ATOM 271 CD GLU A 17 -4.368 -10.084 3.991 1.00 33.22 C ATOM 272 OE1 GLU A 17 -3.786 -10.804 4.823 1.00 71.33 O ATOM 273 OE2 GLU A 17 -5.613 -10.046 3.904 1.00 71.43 O ATOM 0 H GLU A 17 -0.444 -9.271 2.537 1.00 45.42 H new ATOM 0 HA GLU A 17 -2.114 -11.647 3.085 1.00 4.23 H new ATOM 0 HB2 GLU A 17 -2.512 -9.294 1.181 1.00 34.25 H new ATOM 0 HB3 GLU A 17 -3.653 -10.600 1.431 1.00 34.25 H new ATOM 0 HG2 GLU A 17 -2.762 -8.712 3.636 1.00 3.43 H new ATOM 0 HG3 GLU A 17 -4.175 -8.435 2.638 1.00 3.43 H new ATOM 280 N LYS A 18 -1.872 -12.721 0.726 1.00 32.43 N ATOM 281 CA LYS A 18 -1.461 -13.468 -0.471 1.00 1.41 C ATOM 282 C LYS A 18 -1.937 -12.779 -1.762 1.00 3.22 C ATOM 283 O LYS A 18 -1.842 -13.339 -2.855 1.00 42.40 O ATOM 284 CB LYS A 18 -1.972 -14.912 -0.402 1.00 63.55 C ATOM 285 CG LYS A 18 -1.361 -15.704 0.751 1.00 60.51 C ATOM 286 CD LYS A 18 -1.780 -17.170 0.738 1.00 44.32 C ATOM 287 CE LYS A 18 -3.286 -17.340 0.906 1.00 51.22 C ATOM 288 NZ LYS A 18 -3.667 -18.770 1.014 1.00 74.40 N ATOM 0 H LYS A 18 -2.710 -13.080 1.184 1.00 32.43 H new ATOM 0 HA LYS A 18 -0.371 -13.485 -0.495 1.00 1.41 H new ATOM 0 HB2 LYS A 18 -3.057 -14.903 -0.296 1.00 63.55 H new ATOM 0 HB3 LYS A 18 -1.748 -15.417 -1.342 1.00 63.55 H new ATOM 0 HG2 LYS A 18 -0.274 -15.639 0.696 1.00 60.51 H new ATOM 0 HG3 LYS A 18 -1.660 -15.252 1.697 1.00 60.51 H new ATOM 0 HD2 LYS A 18 -1.467 -17.627 -0.201 1.00 44.32 H new ATOM 0 HD3 LYS A 18 -1.265 -17.701 1.539 1.00 44.32 H new ATOM 0 HE2 LYS A 18 -3.615 -16.807 1.798 1.00 51.22 H new ATOM 0 HE3 LYS A 18 -3.800 -16.889 0.057 1.00 51.22 H new ATOM 0 HZ1 LYS A 18 -4.698 -18.847 1.127 1.00 74.40 H new ATOM 0 HZ2 LYS A 18 -3.375 -19.273 0.152 1.00 74.40 H new ATOM 0 HZ3 LYS A 18 -3.196 -19.194 1.839 1.00 74.40 H new ATOM 302 N TYR A 19 -2.447 -11.558 -1.618 1.00 62.11 N ATOM 303 CA TYR A 19 -2.846 -10.727 -2.760 1.00 71.42 C ATOM 304 C TYR A 19 -2.338 -9.282 -2.592 1.00 45.42 C ATOM 305 O TYR A 19 -2.753 -8.373 -3.315 1.00 21.21 O ATOM 306 CB TYR A 19 -4.376 -10.747 -2.926 1.00 43.24 C ATOM 307 CG TYR A 19 -5.152 -10.318 -1.688 1.00 70.00 C ATOM 308 CD1 TYR A 19 -5.498 -11.241 -0.705 1.00 75.41 C ATOM 309 CD2 TYR A 19 -5.542 -8.993 -1.504 1.00 63.53 C ATOM 310 CE1 TYR A 19 -6.211 -10.860 0.415 1.00 3.04 C ATOM 311 CE2 TYR A 19 -6.252 -8.605 -0.385 1.00 52.50 C ATOM 312 CZ TYR A 19 -6.583 -9.542 0.572 1.00 51.44 C ATOM 313 OH TYR A 19 -7.296 -9.161 1.687 1.00 32.41 O ATOM 0 H TYR A 19 -2.596 -11.115 -0.712 1.00 62.11 H new ATOM 0 HA TYR A 19 -2.392 -11.141 -3.660 1.00 71.42 H new ATOM 0 HB2 TYR A 19 -4.647 -10.092 -3.754 1.00 43.24 H new ATOM 0 HB3 TYR A 19 -4.686 -11.755 -3.202 1.00 43.24 H new ATOM 0 HD1 TYR A 19 -5.204 -12.274 -0.820 1.00 75.41 H new ATOM 0 HD2 TYR A 19 -5.284 -8.256 -2.250 1.00 63.53 H new ATOM 0 HE1 TYR A 19 -6.476 -11.591 1.164 1.00 3.04 H new ATOM 0 HE2 TYR A 19 -6.547 -7.574 -0.260 1.00 52.50 H new ATOM 0 HH TYR A 19 -6.797 -9.406 2.494 1.00 32.41 H new ATOM 323 N GLY A 20 -1.420 -9.091 -1.646 1.00 30.23 N ATOM 324 CA GLY A 20 -0.892 -7.763 -1.350 1.00 12.43 C ATOM 325 C GLY A 20 -0.551 -7.585 0.128 1.00 33.40 C ATOM 326 O GLY A 20 -0.410 -8.561 0.856 1.00 3.34 O ATOM 0 H GLY A 20 -1.028 -9.838 -1.073 1.00 30.23 H new ATOM 0 HA2 GLY A 20 0.002 -7.589 -1.949 1.00 12.43 H new ATOM 0 HA3 GLY A 20 -1.624 -7.011 -1.644 1.00 12.43 H new ATOM 330 N ALA A 21 -0.395 -6.343 0.571 1.00 42.20 N ATOM 331 CA ALA A 21 -0.168 -6.048 1.993 1.00 21.43 C ATOM 332 C ALA A 21 -0.909 -4.774 2.421 1.00 20.04 C ATOM 333 O ALA A 21 -0.857 -3.759 1.730 1.00 23.14 O ATOM 334 CB ALA A 21 1.327 -5.913 2.270 1.00 12.01 C ATOM 0 H ALA A 21 -0.421 -5.519 -0.029 1.00 42.20 H new ATOM 0 HA ALA A 21 -0.563 -6.878 2.579 1.00 21.43 H new ATOM 0 HB1 ALA A 21 1.483 -5.694 3.326 1.00 12.01 H new ATOM 0 HB2 ALA A 21 1.830 -6.845 2.014 1.00 12.01 H new ATOM 0 HB3 ALA A 21 1.737 -5.102 1.667 1.00 12.01 H new ATOM 340 N PHE A 22 -1.604 -4.826 3.559 1.00 43.30 N ATOM 341 CA PHE A 22 -2.339 -3.656 4.059 1.00 43.43 C ATOM 342 C PHE A 22 -1.388 -2.638 4.701 1.00 71.40 C ATOM 343 O PHE A 22 -0.525 -2.993 5.506 1.00 73.10 O ATOM 344 CB PHE A 22 -3.427 -4.074 5.059 1.00 44.24 C ATOM 345 CG PHE A 22 -4.632 -4.712 4.409 1.00 3.22 C ATOM 346 CD1 PHE A 22 -5.641 -3.922 3.867 1.00 33.41 C ATOM 347 CD2 PHE A 22 -4.756 -6.092 4.332 1.00 42.15 C ATOM 348 CE1 PHE A 22 -6.745 -4.497 3.265 1.00 3.23 C ATOM 349 CE2 PHE A 22 -5.860 -6.669 3.729 1.00 42.53 C ATOM 350 CZ PHE A 22 -6.852 -5.873 3.195 1.00 11.24 C ATOM 0 H PHE A 22 -1.675 -5.655 4.149 1.00 43.30 H new ATOM 0 HA PHE A 22 -2.821 -3.182 3.204 1.00 43.43 H new ATOM 0 HB2 PHE A 22 -2.999 -4.773 5.777 1.00 44.24 H new ATOM 0 HB3 PHE A 22 -3.749 -3.197 5.621 1.00 44.24 H new ATOM 0 HD1 PHE A 22 -5.561 -2.846 3.917 1.00 33.41 H new ATOM 0 HD2 PHE A 22 -3.983 -6.722 4.747 1.00 42.15 H new ATOM 0 HE1 PHE A 22 -7.522 -3.872 2.850 1.00 3.23 H new ATOM 0 HE2 PHE A 22 -5.945 -7.744 3.676 1.00 42.53 H new ATOM 0 HZ PHE A 22 -7.712 -6.325 2.723 1.00 11.24 H new ATOM 360 N ILE A 23 -1.545 -1.372 4.326 1.00 54.44 N ATOM 361 CA ILE A 23 -0.674 -0.297 4.810 1.00 71.34 C ATOM 362 C ILE A 23 -1.488 0.884 5.367 1.00 33.44 C ATOM 363 O ILE A 23 -2.411 1.378 4.714 1.00 54.41 O ATOM 364 CB ILE A 23 0.263 0.213 3.681 1.00 23.41 C ATOM 365 CG1 ILE A 23 1.257 -0.888 3.265 1.00 61.33 C ATOM 366 CG2 ILE A 23 1.006 1.475 4.110 1.00 34.12 C ATOM 367 CD1 ILE A 23 2.220 -0.466 2.171 1.00 53.20 C ATOM 0 H ILE A 23 -2.273 -1.060 3.683 1.00 54.44 H new ATOM 0 HA ILE A 23 -0.071 -0.717 5.615 1.00 71.34 H new ATOM 0 HB ILE A 23 -0.355 0.465 2.819 1.00 23.41 H new ATOM 0 HG12 ILE A 23 1.829 -1.197 4.140 1.00 61.33 H new ATOM 0 HG13 ILE A 23 0.697 -1.760 2.926 1.00 61.33 H new ATOM 0 HG21 ILE A 23 1.654 1.809 3.300 1.00 34.12 H new ATOM 0 HG22 ILE A 23 0.286 2.259 4.345 1.00 34.12 H new ATOM 0 HG23 ILE A 23 1.609 1.260 4.992 1.00 34.12 H new ATOM 0 HD11 ILE A 23 2.887 -1.295 1.934 1.00 53.20 H new ATOM 0 HD12 ILE A 23 1.658 -0.186 1.280 1.00 53.20 H new ATOM 0 HD13 ILE A 23 2.808 0.386 2.512 1.00 53.20 H new ATOM 379 N ASN A 24 -1.140 1.332 6.573 1.00 33.40 N ATOM 380 CA ASN A 24 -1.783 2.502 7.180 1.00 72.32 C ATOM 381 C ASN A 24 -0.968 3.777 6.915 1.00 25.11 C ATOM 382 O ASN A 24 0.177 3.897 7.361 1.00 52.44 O ATOM 383 CB ASN A 24 -1.956 2.313 8.693 1.00 34.33 C ATOM 384 CG ASN A 24 -2.885 1.166 9.046 1.00 35.13 C ATOM 385 OD1 ASN A 24 -3.775 0.809 8.285 1.00 32.24 O ATOM 386 ND2 ASN A 24 -2.694 0.588 10.216 1.00 5.21 N ATOM 0 H ASN A 24 -0.417 0.904 7.151 1.00 33.40 H new ATOM 0 HA ASN A 24 -2.766 2.607 6.721 1.00 72.32 H new ATOM 0 HB2 ASN A 24 -0.980 2.135 9.145 1.00 34.33 H new ATOM 0 HB3 ASN A 24 -2.345 3.234 9.126 1.00 34.33 H new ATOM 0 HD21 ASN A 24 -3.297 -0.180 10.510 1.00 5.21 H new ATOM 0 HD22 ASN A 24 -1.943 0.909 10.827 1.00 5.21 H new ATOM 393 N LEU A 25 -1.557 4.718 6.183 1.00 64.55 N ATOM 394 CA LEU A 25 -0.927 6.024 5.937 1.00 65.34 C ATOM 395 C LEU A 25 -1.246 6.995 7.086 1.00 71.14 C ATOM 396 O LEU A 25 -0.524 7.964 7.325 1.00 33.40 O ATOM 397 CB LEU A 25 -1.428 6.623 4.613 1.00 11.11 C ATOM 398 CG LEU A 25 -1.282 5.733 3.367 1.00 20.52 C ATOM 399 CD1 LEU A 25 -1.831 6.449 2.133 1.00 63.14 C ATOM 400 CD2 LEU A 25 0.173 5.323 3.154 1.00 24.35 C ATOM 0 H LEU A 25 -2.472 4.606 5.746 1.00 64.55 H new ATOM 0 HA LEU A 25 0.151 5.875 5.877 1.00 65.34 H new ATOM 0 HB2 LEU A 25 -2.481 6.879 4.730 1.00 11.11 H new ATOM 0 HB3 LEU A 25 -0.891 7.555 4.434 1.00 11.11 H new ATOM 0 HG LEU A 25 -1.864 4.825 3.526 1.00 20.52 H new ATOM 0 HD11 LEU A 25 -1.720 5.806 1.260 1.00 63.14 H new ATOM 0 HD12 LEU A 25 -2.886 6.677 2.284 1.00 63.14 H new ATOM 0 HD13 LEU A 25 -1.279 7.375 1.974 1.00 63.14 H new ATOM 0 HD21 LEU A 25 0.248 4.694 2.267 1.00 24.35 H new ATOM 0 HD22 LEU A 25 0.786 6.214 3.020 1.00 24.35 H new ATOM 0 HD23 LEU A 25 0.525 4.767 4.023 1.00 24.35 H new ATOM 412 N ASN A 26 -2.346 6.720 7.782 1.00 45.42 N ATOM 413 CA ASN A 26 -2.828 7.565 8.879 1.00 54.32 C ATOM 414 C ASN A 26 -3.814 6.765 9.753 1.00 44.04 C ATOM 415 O ASN A 26 -4.256 5.689 9.351 1.00 63.14 O ATOM 416 CB ASN A 26 -3.499 8.824 8.301 1.00 34.41 C ATOM 417 CG ASN A 26 -3.903 9.831 9.359 1.00 5.52 C ATOM 418 OD1 ASN A 26 -3.298 9.912 10.422 1.00 55.54 O ATOM 419 ND2 ASN A 26 -4.923 10.611 9.075 1.00 21.13 N ATOM 0 H ASN A 26 -2.932 5.904 7.603 1.00 45.42 H new ATOM 0 HA ASN A 26 -1.990 7.876 9.503 1.00 54.32 H new ATOM 0 HB2 ASN A 26 -2.815 9.301 7.599 1.00 34.41 H new ATOM 0 HB3 ASN A 26 -4.383 8.528 7.735 1.00 34.41 H new ATOM 0 HD21 ASN A 26 -5.233 11.311 9.749 1.00 21.13 H new ATOM 0 HD22 ASN A 26 -5.404 10.516 8.180 1.00 21.13 H new ATOM 426 N GLU A 27 -4.170 7.296 10.925 1.00 50.42 N ATOM 427 CA GLU A 27 -5.024 6.575 11.888 1.00 23.14 C ATOM 428 C GLU A 27 -6.303 5.999 11.239 1.00 13.44 C ATOM 429 O GLU A 27 -6.717 4.883 11.553 1.00 51.33 O ATOM 430 CB GLU A 27 -5.400 7.502 13.055 1.00 4.31 C ATOM 431 CG GLU A 27 -6.143 6.800 14.188 1.00 11.40 C ATOM 432 CD GLU A 27 -6.460 7.730 15.352 1.00 15.15 C ATOM 433 OE1 GLU A 27 -5.565 7.961 16.195 1.00 62.42 O ATOM 434 OE2 GLU A 27 -7.601 8.236 15.426 1.00 2.44 O ATOM 0 H GLU A 27 -3.882 8.224 11.236 1.00 50.42 H new ATOM 0 HA GLU A 27 -4.444 5.729 12.257 1.00 23.14 H new ATOM 0 HB2 GLU A 27 -4.492 7.954 13.454 1.00 4.31 H new ATOM 0 HB3 GLU A 27 -6.020 8.314 12.676 1.00 4.31 H new ATOM 0 HG2 GLU A 27 -7.071 6.380 13.802 1.00 11.40 H new ATOM 0 HG3 GLU A 27 -5.541 5.966 14.549 1.00 11.40 H new ATOM 441 N GLN A 28 -6.936 6.766 10.349 1.00 1.02 N ATOM 442 CA GLN A 28 -8.150 6.304 9.651 1.00 14.22 C ATOM 443 C GLN A 28 -7.919 6.105 8.141 1.00 73.15 C ATOM 444 O GLN A 28 -8.870 5.952 7.374 1.00 72.51 O ATOM 445 CB GLN A 28 -9.297 7.300 9.881 1.00 74.24 C ATOM 446 CG GLN A 28 -9.730 7.422 11.340 1.00 53.10 C ATOM 447 CD GLN A 28 -10.295 6.124 11.902 1.00 15.40 C ATOM 448 OE1 GLN A 28 -11.491 5.866 11.814 1.00 50.12 O ATOM 449 NE2 GLN A 28 -9.444 5.296 12.475 1.00 50.31 N ATOM 0 H GLN A 28 -6.635 7.706 10.092 1.00 1.02 H new ATOM 0 HA GLN A 28 -8.415 5.332 10.068 1.00 14.22 H new ATOM 0 HB2 GLN A 28 -8.990 8.282 9.521 1.00 74.24 H new ATOM 0 HB3 GLN A 28 -10.155 6.995 9.282 1.00 74.24 H new ATOM 0 HG2 GLN A 28 -8.876 7.731 11.942 1.00 53.10 H new ATOM 0 HG3 GLN A 28 -10.482 8.207 11.426 1.00 53.10 H new ATOM 0 HE21 GLN A 28 -8.455 5.540 12.532 1.00 50.31 H new ATOM 0 HE22 GLN A 28 -9.774 4.412 12.861 1.00 50.31 H new ATOM 458 N VAL A 29 -6.656 6.091 7.720 1.00 44.44 N ATOM 459 CA VAL A 29 -6.316 5.909 6.302 1.00 41.03 C ATOM 460 C VAL A 29 -5.560 4.588 6.068 1.00 64.24 C ATOM 461 O VAL A 29 -4.375 4.465 6.397 1.00 11.14 O ATOM 462 CB VAL A 29 -5.471 7.094 5.764 1.00 54.53 C ATOM 463 CG1 VAL A 29 -5.066 6.857 4.313 1.00 31.21 C ATOM 464 CG2 VAL A 29 -6.232 8.413 5.907 1.00 50.22 C ATOM 0 H VAL A 29 -5.850 6.203 8.335 1.00 44.44 H new ATOM 0 HA VAL A 29 -7.258 5.874 5.756 1.00 41.03 H new ATOM 0 HB VAL A 29 -4.562 7.160 6.362 1.00 54.53 H new ATOM 0 HG11 VAL A 29 -4.475 7.701 3.958 1.00 31.21 H new ATOM 0 HG12 VAL A 29 -4.474 5.945 4.245 1.00 31.21 H new ATOM 0 HG13 VAL A 29 -5.960 6.756 3.698 1.00 31.21 H new ATOM 0 HG21 VAL A 29 -5.620 9.229 5.523 1.00 50.22 H new ATOM 0 HG22 VAL A 29 -7.162 8.360 5.341 1.00 50.22 H new ATOM 0 HG23 VAL A 29 -6.457 8.591 6.959 1.00 50.22 H new ATOM 474 N ARG A 30 -6.256 3.616 5.480 1.00 24.01 N ATOM 475 CA ARG A 30 -5.712 2.268 5.258 1.00 3.41 C ATOM 476 C ARG A 30 -5.923 1.811 3.800 1.00 11.23 C ATOM 477 O ARG A 30 -7.024 1.928 3.259 1.00 43.22 O ATOM 478 CB ARG A 30 -6.398 1.292 6.225 1.00 24.31 C ATOM 479 CG ARG A 30 -6.030 -0.176 6.024 1.00 30.13 C ATOM 480 CD ARG A 30 -6.847 -1.079 6.946 1.00 21.03 C ATOM 481 NE ARG A 30 -8.287 -0.843 6.802 1.00 42.14 N ATOM 482 CZ ARG A 30 -9.178 -1.123 7.715 1.00 43.24 C ATOM 483 NH1 ARG A 30 -8.829 -1.668 8.835 1.00 2.34 N ATOM 484 NH2 ARG A 30 -10.421 -0.840 7.502 1.00 54.32 N ATOM 0 H ARG A 30 -7.211 3.736 5.143 1.00 24.01 H new ATOM 0 HA ARG A 30 -4.638 2.285 5.443 1.00 3.41 H new ATOM 0 HB2 ARG A 30 -6.147 1.578 7.246 1.00 24.31 H new ATOM 0 HB3 ARG A 30 -7.478 1.399 6.121 1.00 24.31 H new ATOM 0 HG2 ARG A 30 -6.204 -0.459 4.986 1.00 30.13 H new ATOM 0 HG3 ARG A 30 -4.967 -0.318 6.220 1.00 30.13 H new ATOM 0 HD2 ARG A 30 -6.625 -2.123 6.723 1.00 21.03 H new ATOM 0 HD3 ARG A 30 -6.552 -0.905 7.981 1.00 21.03 H new ATOM 0 HE ARG A 30 -8.616 -0.432 5.928 1.00 42.14 H new ATOM 0 HH11 ARG A 30 -7.848 -1.884 9.013 1.00 2.34 H new ATOM 0 HH12 ARG A 30 -9.535 -1.882 9.540 1.00 2.34 H new ATOM 0 HH21 ARG A 30 -10.701 -0.401 6.625 1.00 54.32 H new ATOM 0 HH22 ARG A 30 -11.122 -1.056 8.211 1.00 54.32 H new ATOM 498 N GLY A 31 -4.871 1.282 3.174 1.00 60.42 N ATOM 499 CA GLY A 31 -4.963 0.831 1.783 1.00 74.33 C ATOM 500 C GLY A 31 -4.304 -0.527 1.538 1.00 4.23 C ATOM 501 O GLY A 31 -3.958 -1.239 2.481 1.00 44.13 O ATOM 0 H GLY A 31 -3.954 1.156 3.602 1.00 60.42 H new ATOM 0 HA2 GLY A 31 -6.013 0.773 1.497 1.00 74.33 H new ATOM 0 HA3 GLY A 31 -4.497 1.574 1.137 1.00 74.33 H new ATOM 505 N LEU A 32 -4.115 -0.875 0.264 1.00 51.21 N ATOM 506 CA LEU A 32 -3.567 -2.183 -0.119 1.00 32.44 C ATOM 507 C LEU A 32 -2.412 -2.046 -1.132 1.00 60.13 C ATOM 508 O LEU A 32 -2.569 -1.457 -2.202 1.00 63.02 O ATOM 509 CB LEU A 32 -4.682 -3.060 -0.713 1.00 63.20 C ATOM 510 CG LEU A 32 -4.258 -4.482 -1.131 1.00 24.22 C ATOM 511 CD1 LEU A 32 -3.808 -5.300 0.079 1.00 40.12 C ATOM 512 CD2 LEU A 32 -5.395 -5.185 -1.872 1.00 2.15 C ATOM 0 H LEU A 32 -4.334 -0.268 -0.526 1.00 51.21 H new ATOM 0 HA LEU A 32 -3.166 -2.653 0.779 1.00 32.44 H new ATOM 0 HB2 LEU A 32 -5.486 -3.140 0.019 1.00 63.20 H new ATOM 0 HB3 LEU A 32 -5.094 -2.552 -1.585 1.00 63.20 H new ATOM 0 HG LEU A 32 -3.409 -4.397 -1.809 1.00 24.22 H new ATOM 0 HD11 LEU A 32 -3.515 -6.298 -0.245 1.00 40.12 H new ATOM 0 HD12 LEU A 32 -2.959 -4.809 0.555 1.00 40.12 H new ATOM 0 HD13 LEU A 32 -4.629 -5.377 0.792 1.00 40.12 H new ATOM 0 HD21 LEU A 32 -5.077 -6.187 -2.159 1.00 2.15 H new ATOM 0 HD22 LEU A 32 -6.266 -5.253 -1.221 1.00 2.15 H new ATOM 0 HD23 LEU A 32 -5.653 -4.616 -2.765 1.00 2.15 H new ATOM 524 N LEU A 33 -1.255 -2.596 -0.780 1.00 3.34 N ATOM 525 CA LEU A 33 -0.075 -2.600 -1.656 1.00 4.42 C ATOM 526 C LEU A 33 -0.002 -3.900 -2.475 1.00 41.32 C ATOM 527 O LEU A 33 -0.126 -4.992 -1.923 1.00 61.54 O ATOM 528 CB LEU A 33 1.187 -2.442 -0.797 1.00 0.42 C ATOM 529 CG LEU A 33 2.530 -2.576 -1.538 1.00 25.52 C ATOM 530 CD1 LEU A 33 2.635 -1.560 -2.675 1.00 1.04 C ATOM 531 CD2 LEU A 33 3.690 -2.418 -0.556 1.00 15.32 C ATOM 0 H LEU A 33 -1.102 -3.053 0.119 1.00 3.34 H new ATOM 0 HA LEU A 33 -0.150 -1.769 -2.357 1.00 4.42 H new ATOM 0 HB2 LEU A 33 1.156 -1.464 -0.317 1.00 0.42 H new ATOM 0 HB3 LEU A 33 1.157 -3.188 -0.003 1.00 0.42 H new ATOM 0 HG LEU A 33 2.582 -3.571 -1.980 1.00 25.52 H new ATOM 0 HD11 LEU A 33 3.593 -1.678 -3.181 1.00 1.04 H new ATOM 0 HD12 LEU A 33 1.826 -1.726 -3.387 1.00 1.04 H new ATOM 0 HD13 LEU A 33 2.560 -0.551 -2.269 1.00 1.04 H new ATOM 0 HD21 LEU A 33 4.635 -2.515 -1.091 1.00 15.32 H new ATOM 0 HD22 LEU A 33 3.638 -1.436 -0.086 1.00 15.32 H new ATOM 0 HD23 LEU A 33 3.626 -3.191 0.210 1.00 15.32 H new ATOM 543 N ARG A 34 0.211 -3.781 -3.788 1.00 14.11 N ATOM 544 CA ARG A 34 0.207 -4.949 -4.684 1.00 45.44 C ATOM 545 C ARG A 34 1.634 -5.421 -5.040 1.00 51.14 C ATOM 546 O ARG A 34 2.517 -4.610 -5.316 1.00 61.25 O ATOM 547 CB ARG A 34 -0.588 -4.624 -5.955 1.00 55.30 C ATOM 548 CG ARG A 34 -2.028 -4.205 -5.672 1.00 74.43 C ATOM 549 CD ARG A 34 -2.837 -4.029 -6.951 1.00 30.25 C ATOM 550 NE ARG A 34 -4.229 -3.669 -6.669 1.00 25.32 N ATOM 551 CZ ARG A 34 -5.251 -4.464 -6.845 1.00 72.43 C ATOM 552 NH1 ARG A 34 -5.084 -5.669 -7.286 1.00 54.50 N ATOM 553 NH2 ARG A 34 -6.441 -4.045 -6.561 1.00 22.25 N ATOM 0 H ARG A 34 0.388 -2.893 -4.257 1.00 14.11 H new ATOM 0 HA ARG A 34 -0.273 -5.772 -4.154 1.00 45.44 H new ATOM 0 HB2 ARG A 34 -0.083 -3.824 -6.497 1.00 55.30 H new ATOM 0 HB3 ARG A 34 -0.592 -5.498 -6.607 1.00 55.30 H new ATOM 0 HG2 ARG A 34 -2.506 -4.955 -5.042 1.00 74.43 H new ATOM 0 HG3 ARG A 34 -2.029 -3.270 -5.111 1.00 74.43 H new ATOM 0 HD2 ARG A 34 -2.379 -3.255 -7.567 1.00 30.25 H new ATOM 0 HD3 ARG A 34 -2.810 -4.953 -7.528 1.00 30.25 H new ATOM 0 HE ARG A 34 -4.413 -2.732 -6.310 1.00 25.32 H new ATOM 0 HH11 ARG A 34 -4.146 -6.008 -7.501 1.00 54.50 H new ATOM 0 HH12 ARG A 34 -5.890 -6.280 -7.419 1.00 54.50 H new ATOM 0 HH21 ARG A 34 -6.577 -3.100 -6.202 1.00 22.25 H new ATOM 0 HH22 ARG A 34 -7.244 -4.660 -6.696 1.00 22.25 H new ATOM 567 N PRO A 35 1.864 -6.756 -5.061 1.00 54.22 N ATOM 568 CA PRO A 35 3.211 -7.343 -5.253 1.00 61.32 C ATOM 569 C PRO A 35 3.872 -6.996 -6.599 1.00 4.14 C ATOM 570 O PRO A 35 5.055 -6.664 -6.650 1.00 43.20 O ATOM 571 CB PRO A 35 2.963 -8.859 -5.159 1.00 61.52 C ATOM 572 CG PRO A 35 1.503 -9.038 -5.417 1.00 73.23 C ATOM 573 CD PRO A 35 0.831 -7.797 -4.896 1.00 21.11 C ATOM 0 HA PRO A 35 3.906 -6.949 -4.511 1.00 61.32 H new ATOM 0 HB2 PRO A 35 3.561 -9.401 -5.892 1.00 61.52 H new ATOM 0 HB3 PRO A 35 3.238 -9.242 -4.176 1.00 61.52 H new ATOM 0 HG2 PRO A 35 1.309 -9.168 -6.482 1.00 73.23 H new ATOM 0 HG3 PRO A 35 1.124 -9.927 -4.913 1.00 73.23 H new ATOM 0 HD2 PRO A 35 -0.071 -7.561 -5.460 1.00 21.11 H new ATOM 0 HD3 PRO A 35 0.535 -7.908 -3.853 1.00 21.11 H new ATOM 581 N ARG A 36 3.113 -7.082 -7.689 1.00 32.23 N ATOM 582 CA ARG A 36 3.665 -6.846 -9.028 1.00 63.50 C ATOM 583 C ARG A 36 4.013 -5.370 -9.256 1.00 33.24 C ATOM 584 O ARG A 36 4.735 -5.030 -10.197 1.00 24.01 O ATOM 585 CB ARG A 36 2.689 -7.346 -10.099 1.00 35.33 C ATOM 586 CG ARG A 36 2.554 -8.864 -10.117 1.00 32.30 C ATOM 587 CD ARG A 36 1.581 -9.345 -11.185 1.00 2.52 C ATOM 588 NE ARG A 36 1.596 -10.802 -11.308 1.00 0.22 N ATOM 589 CZ ARG A 36 0.588 -11.521 -11.716 1.00 41.02 C ATOM 590 NH1 ARG A 36 -0.538 -10.968 -12.034 1.00 4.01 N ATOM 591 NH2 ARG A 36 0.707 -12.804 -11.794 1.00 11.05 N ATOM 0 H ARG A 36 2.119 -7.312 -7.676 1.00 32.23 H new ATOM 0 HA ARG A 36 4.595 -7.409 -9.105 1.00 63.50 H new ATOM 0 HB2 ARG A 36 1.709 -6.901 -9.926 1.00 35.33 H new ATOM 0 HB3 ARG A 36 3.026 -7.005 -11.078 1.00 35.33 H new ATOM 0 HG2 ARG A 36 3.532 -9.311 -10.292 1.00 32.30 H new ATOM 0 HG3 ARG A 36 2.216 -9.208 -9.139 1.00 32.30 H new ATOM 0 HD2 ARG A 36 0.574 -9.010 -10.938 1.00 2.52 H new ATOM 0 HD3 ARG A 36 1.840 -8.895 -12.144 1.00 2.52 H new ATOM 0 HE ARG A 36 2.456 -11.290 -11.057 1.00 0.22 H new ATOM 0 HH11 ARG A 36 -0.646 -9.956 -11.967 1.00 4.01 H new ATOM 0 HH12 ARG A 36 -1.317 -11.544 -12.352 1.00 4.01 H new ATOM 0 HH21 ARG A 36 1.587 -13.251 -11.537 1.00 11.05 H new ATOM 0 HH22 ARG A 36 -0.079 -13.371 -12.113 1.00 11.05 H new ATOM 605 N ASP A 37 3.503 -4.501 -8.393 1.00 74.13 N ATOM 606 CA ASP A 37 3.820 -3.074 -8.450 1.00 2.40 C ATOM 607 C ASP A 37 4.999 -2.734 -7.522 1.00 44.40 C ATOM 608 O ASP A 37 5.357 -1.568 -7.346 1.00 21.45 O ATOM 609 CB ASP A 37 2.579 -2.266 -8.073 1.00 1.05 C ATOM 610 CG ASP A 37 1.427 -2.544 -9.020 1.00 61.12 C ATOM 611 OD1 ASP A 37 1.324 -1.857 -10.056 1.00 32.12 O ATOM 612 OD2 ASP A 37 0.641 -3.477 -8.752 1.00 55.30 O ATOM 0 H ASP A 37 2.864 -4.758 -7.640 1.00 74.13 H new ATOM 0 HA ASP A 37 4.120 -2.816 -9.466 1.00 2.40 H new ATOM 0 HB2 ASP A 37 2.280 -2.510 -7.053 1.00 1.05 H new ATOM 0 HB3 ASP A 37 2.817 -1.202 -8.090 1.00 1.05 H new ATOM 617 N MET A 38 5.600 -3.769 -6.934 1.00 34.31 N ATOM 618 CA MET A 38 6.763 -3.614 -6.058 1.00 62.52 C ATOM 619 C MET A 38 8.073 -3.874 -6.817 1.00 40.44 C ATOM 620 O MET A 38 8.346 -4.996 -7.244 1.00 51.22 O ATOM 621 CB MET A 38 6.651 -4.571 -4.868 1.00 34.42 C ATOM 622 CG MET A 38 5.460 -4.286 -3.966 1.00 14.11 C ATOM 623 SD MET A 38 5.581 -2.689 -3.143 1.00 52.23 S ATOM 624 CE MET A 38 6.951 -2.972 -2.019 1.00 70.01 C ATOM 0 H MET A 38 5.296 -4.736 -7.051 1.00 34.31 H new ATOM 0 HA MET A 38 6.780 -2.585 -5.698 1.00 62.52 H new ATOM 0 HB2 MET A 38 6.578 -5.593 -5.240 1.00 34.42 H new ATOM 0 HB3 MET A 38 7.565 -4.512 -4.278 1.00 34.42 H new ATOM 0 HG2 MET A 38 4.545 -4.317 -4.558 1.00 14.11 H new ATOM 0 HG3 MET A 38 5.381 -5.072 -3.215 1.00 14.11 H new ATOM 0 HE1 MET A 38 7.017 -2.146 -1.311 1.00 70.01 H new ATOM 0 HE2 MET A 38 6.790 -3.904 -1.476 1.00 70.01 H new ATOM 0 HE3 MET A 38 7.879 -3.038 -2.586 1.00 70.01 H new ATOM 634 N ILE A 39 8.879 -2.828 -6.978 1.00 54.42 N ATOM 635 CA ILE A 39 10.144 -2.932 -7.716 1.00 41.14 C ATOM 636 C ILE A 39 11.205 -3.741 -6.943 1.00 23.23 C ATOM 637 O ILE A 39 11.717 -4.747 -7.436 1.00 75.23 O ATOM 638 CB ILE A 39 10.720 -1.528 -8.040 1.00 52.24 C ATOM 639 CG1 ILE A 39 9.681 -0.670 -8.782 1.00 14.00 C ATOM 640 CG2 ILE A 39 12.007 -1.645 -8.857 1.00 21.21 C ATOM 641 CD1 ILE A 39 9.193 -1.275 -10.084 1.00 51.00 C ATOM 0 H ILE A 39 8.683 -1.897 -6.609 1.00 54.42 H new ATOM 0 HA ILE A 39 9.914 -3.458 -8.643 1.00 41.14 H new ATOM 0 HB ILE A 39 10.959 -1.034 -7.098 1.00 52.24 H new ATOM 0 HG12 ILE A 39 8.825 -0.507 -8.126 1.00 14.00 H new ATOM 0 HG13 ILE A 39 10.115 0.308 -8.989 1.00 14.00 H new ATOM 0 HG21 ILE A 39 12.393 -0.649 -9.073 1.00 21.21 H new ATOM 0 HG22 ILE A 39 12.749 -2.206 -8.289 1.00 21.21 H new ATOM 0 HG23 ILE A 39 11.798 -2.163 -9.793 1.00 21.21 H new ATOM 0 HD11 ILE A 39 8.464 -0.608 -10.544 1.00 51.00 H new ATOM 0 HD12 ILE A 39 10.037 -1.412 -10.760 1.00 51.00 H new ATOM 0 HD13 ILE A 39 8.727 -2.240 -9.885 1.00 51.00 H new ATOM 653 N SER A 40 11.541 -3.289 -5.736 1.00 44.33 N ATOM 654 CA SER A 40 12.591 -3.933 -4.927 1.00 54.14 C ATOM 655 C SER A 40 12.002 -4.883 -3.876 1.00 33.52 C ATOM 656 O SER A 40 12.290 -6.081 -3.874 1.00 61.31 O ATOM 657 CB SER A 40 13.439 -2.869 -4.222 1.00 70.15 C ATOM 658 OG SER A 40 12.646 -2.113 -3.318 1.00 4.51 O ATOM 0 H SER A 40 11.106 -2.481 -5.291 1.00 44.33 H new ATOM 0 HA SER A 40 13.211 -4.517 -5.607 1.00 54.14 H new ATOM 0 HB2 SER A 40 14.257 -3.347 -3.684 1.00 70.15 H new ATOM 0 HB3 SER A 40 13.888 -2.206 -4.962 1.00 70.15 H new ATOM 0 HG SER A 40 12.149 -1.429 -3.813 1.00 4.51 H new ATOM 664 N LEU A 41 11.179 -4.342 -2.983 1.00 31.11 N ATOM 665 CA LEU A 41 10.609 -5.115 -1.873 1.00 0.34 C ATOM 666 C LEU A 41 9.415 -5.982 -2.317 1.00 32.51 C ATOM 667 O LEU A 41 8.393 -5.467 -2.742 1.00 52.33 O ATOM 668 CB LEU A 41 10.168 -4.158 -0.756 1.00 74.41 C ATOM 669 CG LEU A 41 11.296 -3.360 -0.082 1.00 52.20 C ATOM 670 CD1 LEU A 41 10.728 -2.386 0.946 1.00 31.21 C ATOM 671 CD2 LEU A 41 12.301 -4.304 0.573 1.00 30.12 C ATOM 0 H LEU A 41 10.887 -3.365 -3.003 1.00 31.11 H new ATOM 0 HA LEU A 41 11.383 -5.790 -1.509 1.00 0.34 H new ATOM 0 HB2 LEU A 41 9.446 -3.454 -1.169 1.00 74.41 H new ATOM 0 HB3 LEU A 41 9.649 -4.735 0.009 1.00 74.41 H new ATOM 0 HG LEU A 41 11.813 -2.784 -0.849 1.00 52.20 H new ATOM 0 HD11 LEU A 41 11.543 -1.832 1.411 1.00 31.21 H new ATOM 0 HD12 LEU A 41 10.051 -1.689 0.452 1.00 31.21 H new ATOM 0 HD13 LEU A 41 10.184 -2.940 1.711 1.00 31.21 H new ATOM 0 HD21 LEU A 41 13.093 -3.722 1.045 1.00 30.12 H new ATOM 0 HD22 LEU A 41 11.795 -4.908 1.327 1.00 30.12 H new ATOM 0 HD23 LEU A 41 12.734 -4.957 -0.185 1.00 30.12 H new ATOM 683 N ARG A 42 9.550 -7.301 -2.198 1.00 53.53 N ATOM 684 CA ARG A 42 8.459 -8.232 -2.539 1.00 0.11 C ATOM 685 C ARG A 42 7.697 -8.678 -1.280 1.00 55.30 C ATOM 686 O ARG A 42 8.247 -8.654 -0.182 1.00 11.55 O ATOM 687 CB ARG A 42 9.027 -9.466 -3.256 1.00 32.41 C ATOM 688 CG ARG A 42 9.822 -9.141 -4.519 1.00 20.22 C ATOM 689 CD ARG A 42 8.952 -8.527 -5.613 1.00 64.32 C ATOM 690 NE ARG A 42 9.730 -8.225 -6.812 1.00 32.34 N ATOM 691 CZ ARG A 42 9.233 -8.114 -8.013 1.00 45.30 C ATOM 692 NH1 ARG A 42 7.968 -8.293 -8.230 1.00 41.24 N ATOM 693 NH2 ARG A 42 10.010 -7.830 -9.006 1.00 61.21 N ATOM 0 H ARG A 42 10.401 -7.756 -1.869 1.00 53.53 H new ATOM 0 HA ARG A 42 7.765 -7.710 -3.198 1.00 0.11 H new ATOM 0 HB2 ARG A 42 9.670 -10.011 -2.565 1.00 32.41 H new ATOM 0 HB3 ARG A 42 8.205 -10.131 -3.518 1.00 32.41 H new ATOM 0 HG2 ARG A 42 10.628 -8.451 -4.270 1.00 20.22 H new ATOM 0 HG3 ARG A 42 10.287 -10.052 -4.897 1.00 20.22 H new ATOM 0 HD2 ARG A 42 8.145 -9.215 -5.866 1.00 64.32 H new ATOM 0 HD3 ARG A 42 8.488 -7.614 -5.240 1.00 64.32 H new ATOM 0 HE ARG A 42 10.735 -8.091 -6.702 1.00 32.34 H new ATOM 0 HH11 ARG A 42 7.345 -8.524 -7.456 1.00 41.24 H new ATOM 0 HH12 ARG A 42 7.595 -8.203 -9.175 1.00 41.24 H new ATOM 0 HH21 ARG A 42 11.009 -7.693 -8.849 1.00 61.21 H new ATOM 0 HH22 ARG A 42 9.625 -7.743 -9.946 1.00 61.21 H new ATOM 707 N LEU A 43 6.436 -9.107 -1.443 1.00 31.43 N ATOM 708 CA LEU A 43 5.628 -9.592 -0.304 1.00 21.14 C ATOM 709 C LEU A 43 6.373 -10.678 0.488 1.00 4.32 C ATOM 710 O LEU A 43 6.268 -10.763 1.712 1.00 64.52 O ATOM 711 CB LEU A 43 4.283 -10.165 -0.779 1.00 4.00 C ATOM 712 CG LEU A 43 3.359 -9.198 -1.529 1.00 32.45 C ATOM 713 CD1 LEU A 43 2.049 -9.894 -1.888 1.00 51.00 C ATOM 714 CD2 LEU A 43 3.093 -7.939 -0.707 1.00 31.25 C ATOM 0 H LEU A 43 5.954 -9.130 -2.342 1.00 31.43 H new ATOM 0 HA LEU A 43 5.449 -8.732 0.342 1.00 21.14 H new ATOM 0 HB2 LEU A 43 4.484 -11.018 -1.427 1.00 4.00 H new ATOM 0 HB3 LEU A 43 3.747 -10.545 0.091 1.00 4.00 H new ATOM 0 HG LEU A 43 3.858 -8.894 -2.449 1.00 32.45 H new ATOM 0 HD11 LEU A 43 1.401 -9.198 -2.420 1.00 51.00 H new ATOM 0 HD12 LEU A 43 2.257 -10.755 -2.524 1.00 51.00 H new ATOM 0 HD13 LEU A 43 1.553 -10.227 -0.977 1.00 51.00 H new ATOM 0 HD21 LEU A 43 2.435 -7.273 -1.265 1.00 31.25 H new ATOM 0 HD22 LEU A 43 2.618 -8.213 0.235 1.00 31.25 H new ATOM 0 HD23 LEU A 43 4.036 -7.431 -0.504 1.00 31.25 H new ATOM 726 N GLU A 44 7.130 -11.498 -0.234 1.00 43.33 N ATOM 727 CA GLU A 44 7.915 -12.584 0.362 1.00 0.20 C ATOM 728 C GLU A 44 8.951 -12.055 1.373 1.00 63.11 C ATOM 729 O GLU A 44 9.409 -12.787 2.252 1.00 70.42 O ATOM 730 CB GLU A 44 8.626 -13.356 -0.758 1.00 11.00 C ATOM 731 CG GLU A 44 7.685 -13.823 -1.869 1.00 11.44 C ATOM 732 CD GLU A 44 8.421 -14.335 -3.098 1.00 22.10 C ATOM 733 OE1 GLU A 44 8.795 -13.506 -3.958 1.00 20.52 O ATOM 734 OE2 GLU A 44 8.622 -15.560 -3.215 1.00 32.15 O ATOM 0 H GLU A 44 7.219 -11.432 -1.248 1.00 43.33 H new ATOM 0 HA GLU A 44 7.236 -13.241 0.905 1.00 0.20 H new ATOM 0 HB2 GLU A 44 9.400 -12.722 -1.191 1.00 11.00 H new ATOM 0 HB3 GLU A 44 9.127 -14.223 -0.329 1.00 11.00 H new ATOM 0 HG2 GLU A 44 7.041 -14.613 -1.483 1.00 11.44 H new ATOM 0 HG3 GLU A 44 7.037 -12.996 -2.159 1.00 11.44 H new ATOM 741 N ASN A 45 9.306 -10.778 1.242 1.00 52.21 N ATOM 742 CA ASN A 45 10.345 -10.155 2.076 1.00 21.34 C ATOM 743 C ASN A 45 9.770 -9.078 3.019 1.00 24.02 C ATOM 744 O ASN A 45 10.498 -8.511 3.837 1.00 72.35 O ATOM 745 CB ASN A 45 11.414 -9.525 1.175 1.00 73.51 C ATOM 746 CG ASN A 45 11.996 -10.515 0.180 1.00 53.34 C ATOM 747 OD1 ASN A 45 12.157 -11.694 0.468 1.00 73.42 O ATOM 748 ND2 ASN A 45 12.304 -10.044 -1.006 1.00 51.30 N ATOM 0 H ASN A 45 8.887 -10.145 0.560 1.00 52.21 H new ATOM 0 HA ASN A 45 10.781 -10.938 2.697 1.00 21.34 H new ATOM 0 HB2 ASN A 45 10.979 -8.685 0.634 1.00 73.51 H new ATOM 0 HB3 ASN A 45 12.216 -9.124 1.795 1.00 73.51 H new ATOM 0 HD21 ASN A 45 12.689 -10.665 -1.717 1.00 51.30 H new ATOM 0 HD22 ASN A 45 12.158 -9.057 -1.216 1.00 51.30 H new ATOM 755 N LEU A 46 8.470 -8.789 2.901 1.00 1.11 N ATOM 756 CA LEU A 46 7.838 -7.749 3.729 1.00 43.12 C ATOM 757 C LEU A 46 7.503 -8.271 5.133 1.00 65.02 C ATOM 758 O LEU A 46 7.109 -9.428 5.307 1.00 3.23 O ATOM 759 CB LEU A 46 6.561 -7.210 3.064 1.00 73.15 C ATOM 760 CG LEU A 46 6.732 -6.632 1.651 1.00 1.11 C ATOM 761 CD1 LEU A 46 5.475 -5.877 1.219 1.00 50.22 C ATOM 762 CD2 LEU A 46 7.966 -5.738 1.567 1.00 64.20 C ATOM 0 H LEU A 46 7.838 -9.253 2.249 1.00 1.11 H new ATOM 0 HA LEU A 46 8.560 -6.938 3.823 1.00 43.12 H new ATOM 0 HB2 LEU A 46 5.830 -8.017 3.019 1.00 73.15 H new ATOM 0 HB3 LEU A 46 6.141 -6.434 3.704 1.00 73.15 H new ATOM 0 HG LEU A 46 6.880 -7.464 0.962 1.00 1.11 H new ATOM 0 HD11 LEU A 46 5.618 -5.476 0.216 1.00 50.22 H new ATOM 0 HD12 LEU A 46 4.624 -6.558 1.220 1.00 50.22 H new ATOM 0 HD13 LEU A 46 5.286 -5.058 1.913 1.00 50.22 H new ATOM 0 HD21 LEU A 46 8.061 -5.343 0.555 1.00 64.20 H new ATOM 0 HD22 LEU A 46 7.865 -4.912 2.271 1.00 64.20 H new ATOM 0 HD23 LEU A 46 8.854 -6.319 1.815 1.00 64.20 H new ATOM 774 N ASN A 47 7.658 -7.404 6.129 1.00 62.35 N ATOM 775 CA ASN A 47 7.390 -7.749 7.529 1.00 3.40 C ATOM 776 C ASN A 47 6.431 -6.733 8.169 1.00 54.31 C ATOM 777 O ASN A 47 6.253 -5.618 7.665 1.00 15.11 O ATOM 778 CB ASN A 47 8.702 -7.778 8.325 1.00 21.42 C ATOM 779 CG ASN A 47 9.775 -8.600 7.636 1.00 15.40 C ATOM 780 OD1 ASN A 47 9.916 -9.798 7.871 1.00 50.53 O ATOM 781 ND2 ASN A 47 10.542 -7.960 6.779 1.00 2.23 N ATOM 0 H ASN A 47 7.972 -6.443 5.993 1.00 62.35 H new ATOM 0 HA ASN A 47 6.925 -8.735 7.551 1.00 3.40 H new ATOM 0 HB2 ASN A 47 9.062 -6.759 8.465 1.00 21.42 H new ATOM 0 HB3 ASN A 47 8.514 -8.189 9.317 1.00 21.42 H new ATOM 0 HD21 ASN A 47 11.282 -8.459 6.285 1.00 2.23 H new ATOM 0 HD22 ASN A 47 10.396 -6.965 6.609 1.00 2.23 H new ATOM 788 N VAL A 48 5.821 -7.114 9.285 1.00 22.24 N ATOM 789 CA VAL A 48 4.951 -6.202 10.032 1.00 1.11 C ATOM 790 C VAL A 48 5.775 -5.079 10.684 1.00 14.43 C ATOM 791 O VAL A 48 6.583 -5.327 11.582 1.00 12.41 O ATOM 792 CB VAL A 48 4.146 -6.950 11.129 1.00 1.32 C ATOM 793 CG1 VAL A 48 3.240 -5.982 11.896 1.00 73.13 C ATOM 794 CG2 VAL A 48 3.332 -8.091 10.515 1.00 11.04 C ATOM 0 H VAL A 48 5.910 -8.044 9.695 1.00 22.24 H new ATOM 0 HA VAL A 48 4.248 -5.772 9.318 1.00 1.11 H new ATOM 0 HB VAL A 48 4.853 -7.380 11.838 1.00 1.32 H new ATOM 0 HG11 VAL A 48 2.686 -6.529 12.659 1.00 73.13 H new ATOM 0 HG12 VAL A 48 3.849 -5.213 12.371 1.00 73.13 H new ATOM 0 HG13 VAL A 48 2.539 -5.514 11.204 1.00 73.13 H new ATOM 0 HG21 VAL A 48 2.775 -8.603 11.299 1.00 11.04 H new ATOM 0 HG22 VAL A 48 2.636 -7.687 9.780 1.00 11.04 H new ATOM 0 HG23 VAL A 48 4.005 -8.797 10.028 1.00 11.04 H new ATOM 804 N GLY A 49 5.573 -3.847 10.222 1.00 20.12 N ATOM 805 CA GLY A 49 6.296 -2.707 10.784 1.00 71.42 C ATOM 806 C GLY A 49 7.297 -2.069 9.823 1.00 32.13 C ATOM 807 O GLY A 49 8.020 -1.143 10.206 1.00 25.12 O ATOM 0 H GLY A 49 4.924 -3.613 9.470 1.00 20.12 H new ATOM 0 HA2 GLY A 49 5.575 -1.951 11.096 1.00 71.42 H new ATOM 0 HA3 GLY A 49 6.825 -3.032 11.680 1.00 71.42 H new ATOM 811 N ASP A 50 7.366 -2.556 8.584 1.00 1.53 N ATOM 812 CA ASP A 50 8.249 -1.948 7.581 1.00 63.24 C ATOM 813 C ASP A 50 7.629 -0.666 6.996 1.00 24.02 C ATOM 814 O ASP A 50 6.436 -0.622 6.685 1.00 4.05 O ATOM 815 CB ASP A 50 8.581 -2.937 6.456 1.00 53.00 C ATOM 816 CG ASP A 50 9.415 -4.116 6.936 1.00 13.41 C ATOM 817 OD1 ASP A 50 10.185 -3.955 7.907 1.00 74.51 O ATOM 818 OD2 ASP A 50 9.331 -5.200 6.323 1.00 31.05 O ATOM 0 H ASP A 50 6.831 -3.358 8.251 1.00 1.53 H new ATOM 0 HA ASP A 50 9.177 -1.682 8.087 1.00 63.24 H new ATOM 0 HB2 ASP A 50 7.654 -3.307 6.019 1.00 53.00 H new ATOM 0 HB3 ASP A 50 9.120 -2.414 5.666 1.00 53.00 H new ATOM 823 N GLU A 51 8.453 0.370 6.854 1.00 34.33 N ATOM 824 CA GLU A 51 8.005 1.677 6.354 1.00 42.41 C ATOM 825 C GLU A 51 8.334 1.841 4.865 1.00 30.45 C ATOM 826 O GLU A 51 9.483 2.103 4.495 1.00 73.15 O ATOM 827 CB GLU A 51 8.679 2.791 7.165 1.00 22.21 C ATOM 828 CG GLU A 51 8.318 2.773 8.647 1.00 51.33 C ATOM 829 CD GLU A 51 9.259 3.618 9.490 1.00 31.14 C ATOM 830 OE1 GLU A 51 9.069 4.850 9.569 1.00 41.23 O ATOM 831 OE2 GLU A 51 10.202 3.046 10.082 1.00 75.32 O ATOM 0 H GLU A 51 9.447 0.332 7.080 1.00 34.33 H new ATOM 0 HA GLU A 51 6.923 1.741 6.469 1.00 42.41 H new ATOM 0 HB2 GLU A 51 9.760 2.700 7.062 1.00 22.21 H new ATOM 0 HB3 GLU A 51 8.399 3.756 6.743 1.00 22.21 H new ATOM 0 HG2 GLU A 51 7.298 3.137 8.773 1.00 51.33 H new ATOM 0 HG3 GLU A 51 8.337 1.745 9.009 1.00 51.33 H new ATOM 838 N ILE A 52 7.326 1.691 4.017 1.00 54.20 N ATOM 839 CA ILE A 52 7.530 1.702 2.565 1.00 42.55 C ATOM 840 C ILE A 52 6.989 2.985 1.913 1.00 72.24 C ATOM 841 O ILE A 52 5.866 3.415 2.191 1.00 63.15 O ATOM 842 CB ILE A 52 6.861 0.466 1.904 1.00 33.32 C ATOM 843 CG1 ILE A 52 7.384 -0.835 2.544 1.00 31.52 C ATOM 844 CG2 ILE A 52 7.112 0.459 0.396 1.00 20.11 C ATOM 845 CD1 ILE A 52 6.782 -2.097 1.955 1.00 33.24 C ATOM 0 H ILE A 52 6.356 1.560 4.304 1.00 54.20 H new ATOM 0 HA ILE A 52 8.607 1.666 2.401 1.00 42.55 H new ATOM 0 HB ILE A 52 5.786 0.527 2.072 1.00 33.32 H new ATOM 0 HG12 ILE A 52 8.467 -0.874 2.430 1.00 31.52 H new ATOM 0 HG13 ILE A 52 7.177 -0.811 3.614 1.00 31.52 H new ATOM 0 HG21 ILE A 52 6.635 -0.415 -0.048 1.00 20.11 H new ATOM 0 HG22 ILE A 52 6.695 1.364 -0.046 1.00 20.11 H new ATOM 0 HG23 ILE A 52 8.185 0.423 0.206 1.00 20.11 H new ATOM 0 HD11 ILE A 52 7.200 -2.969 2.458 1.00 33.24 H new ATOM 0 HD12 ILE A 52 5.701 -2.083 2.093 1.00 33.24 H new ATOM 0 HD13 ILE A 52 7.012 -2.147 0.891 1.00 33.24 H new ATOM 857 N ILE A 53 7.800 3.596 1.048 1.00 14.34 N ATOM 858 CA ILE A 53 7.367 4.761 0.267 1.00 14.24 C ATOM 859 C ILE A 53 6.605 4.308 -0.987 1.00 24.52 C ATOM 860 O ILE A 53 7.196 3.753 -1.915 1.00 51.42 O ATOM 861 CB ILE A 53 8.573 5.640 -0.164 1.00 1.41 C ATOM 862 CG1 ILE A 53 9.379 6.095 1.064 1.00 40.41 C ATOM 863 CG2 ILE A 53 8.097 6.849 -0.975 1.00 23.10 C ATOM 864 CD1 ILE A 53 10.595 6.934 0.724 1.00 53.51 C ATOM 0 H ILE A 53 8.761 3.305 0.869 1.00 14.34 H new ATOM 0 HA ILE A 53 6.713 5.355 0.906 1.00 14.24 H new ATOM 0 HB ILE A 53 9.225 5.038 -0.797 1.00 1.41 H new ATOM 0 HG12 ILE A 53 8.727 6.669 1.722 1.00 40.41 H new ATOM 0 HG13 ILE A 53 9.701 5.215 1.621 1.00 40.41 H new ATOM 0 HG21 ILE A 53 8.957 7.452 -1.267 1.00 23.10 H new ATOM 0 HG22 ILE A 53 7.574 6.505 -1.868 1.00 23.10 H new ATOM 0 HG23 ILE A 53 7.421 7.451 -0.368 1.00 23.10 H new ATOM 0 HD11 ILE A 53 11.111 7.216 1.642 1.00 53.51 H new ATOM 0 HD12 ILE A 53 11.270 6.357 0.091 1.00 53.51 H new ATOM 0 HD13 ILE A 53 10.280 7.833 0.194 1.00 53.51 H new ATOM 876 N VAL A 54 5.295 4.540 -1.012 1.00 2.40 N ATOM 877 CA VAL A 54 4.454 4.057 -2.112 1.00 2.31 C ATOM 878 C VAL A 54 3.696 5.189 -2.825 1.00 15.40 C ATOM 879 O VAL A 54 3.279 6.173 -2.215 1.00 72.42 O ATOM 880 CB VAL A 54 3.431 2.998 -1.618 1.00 45.34 C ATOM 881 CG1 VAL A 54 4.143 1.730 -1.150 1.00 22.45 C ATOM 882 CG2 VAL A 54 2.553 3.567 -0.502 1.00 64.20 C ATOM 0 H VAL A 54 4.792 5.056 -0.290 1.00 2.40 H new ATOM 0 HA VAL A 54 5.139 3.603 -2.828 1.00 2.31 H new ATOM 0 HB VAL A 54 2.787 2.736 -2.457 1.00 45.34 H new ATOM 0 HG11 VAL A 54 3.406 1.003 -0.809 1.00 22.45 H new ATOM 0 HG12 VAL A 54 4.714 1.307 -1.977 1.00 22.45 H new ATOM 0 HG13 VAL A 54 4.819 1.974 -0.330 1.00 22.45 H new ATOM 0 HG21 VAL A 54 1.845 2.807 -0.173 1.00 64.20 H new ATOM 0 HG22 VAL A 54 3.180 3.866 0.338 1.00 64.20 H new ATOM 0 HG23 VAL A 54 2.007 4.434 -0.875 1.00 64.20 H new ATOM 892 N GLN A 55 3.538 5.042 -4.132 1.00 64.31 N ATOM 893 CA GLN A 55 2.689 5.937 -4.917 1.00 13.53 C ATOM 894 C GLN A 55 1.336 5.263 -5.187 1.00 54.12 C ATOM 895 O GLN A 55 1.280 4.191 -5.792 1.00 11.44 O ATOM 896 CB GLN A 55 3.381 6.300 -6.241 1.00 61.31 C ATOM 897 CG GLN A 55 2.569 7.243 -7.127 1.00 43.02 C ATOM 898 CD GLN A 55 3.287 7.609 -8.415 1.00 21.31 C ATOM 899 OE1 GLN A 55 4.084 6.840 -8.941 1.00 35.15 O ATOM 900 NE2 GLN A 55 3.010 8.788 -8.937 1.00 1.32 N ATOM 0 H GLN A 55 3.988 4.307 -4.678 1.00 64.31 H new ATOM 0 HA GLN A 55 2.521 6.855 -4.354 1.00 13.53 H new ATOM 0 HB2 GLN A 55 4.343 6.762 -6.022 1.00 61.31 H new ATOM 0 HB3 GLN A 55 3.587 5.384 -6.795 1.00 61.31 H new ATOM 0 HG2 GLN A 55 1.615 6.774 -7.369 1.00 43.02 H new ATOM 0 HG3 GLN A 55 2.345 8.153 -6.571 1.00 43.02 H new ATOM 0 HE21 GLN A 55 2.342 9.406 -8.476 1.00 1.32 H new ATOM 0 HE22 GLN A 55 3.464 9.082 -9.802 1.00 1.32 H new ATOM 909 N ALA A 56 0.257 5.878 -4.718 1.00 44.33 N ATOM 910 CA ALA A 56 -1.089 5.324 -4.900 1.00 24.14 C ATOM 911 C ALA A 56 -1.419 5.131 -6.389 1.00 60.11 C ATOM 912 O ALA A 56 -1.101 5.983 -7.218 1.00 2.41 O ATOM 913 CB ALA A 56 -2.123 6.234 -4.241 1.00 30.55 C ATOM 0 H ALA A 56 0.283 6.761 -4.208 1.00 44.33 H new ATOM 0 HA ALA A 56 -1.119 4.344 -4.423 1.00 24.14 H new ATOM 0 HB1 ALA A 56 -3.119 5.814 -4.381 1.00 30.55 H new ATOM 0 HB2 ALA A 56 -1.910 6.314 -3.175 1.00 30.55 H new ATOM 0 HB3 ALA A 56 -2.079 7.224 -4.695 1.00 30.55 H new ATOM 919 N ILE A 57 -2.045 4.007 -6.730 1.00 73.02 N ATOM 920 CA ILE A 57 -2.440 3.739 -8.118 1.00 2.53 C ATOM 921 C ILE A 57 -3.857 4.273 -8.389 1.00 42.15 C ATOM 922 O ILE A 57 -4.026 5.304 -9.039 1.00 21.22 O ATOM 923 CB ILE A 57 -2.389 2.223 -8.451 1.00 60.32 C ATOM 924 CG1 ILE A 57 -1.045 1.616 -8.016 1.00 64.13 C ATOM 925 CG2 ILE A 57 -2.618 1.998 -9.948 1.00 52.43 C ATOM 926 CD1 ILE A 57 -0.936 0.124 -8.265 1.00 14.11 C ATOM 0 H ILE A 57 -2.290 3.268 -6.071 1.00 73.02 H new ATOM 0 HA ILE A 57 -1.725 4.255 -8.759 1.00 2.53 H new ATOM 0 HB ILE A 57 -3.185 1.723 -7.898 1.00 60.32 H new ATOM 0 HG12 ILE A 57 -0.239 2.123 -8.547 1.00 64.13 H new ATOM 0 HG13 ILE A 57 -0.897 1.809 -6.953 1.00 64.13 H new ATOM 0 HG21 ILE A 57 -2.579 0.931 -10.166 1.00 52.43 H new ATOM 0 HG22 ILE A 57 -3.595 2.391 -10.230 1.00 52.43 H new ATOM 0 HG23 ILE A 57 -1.843 2.512 -10.516 1.00 52.43 H new ATOM 0 HD11 ILE A 57 0.040 -0.230 -7.932 1.00 14.11 H new ATOM 0 HD12 ILE A 57 -1.719 -0.395 -7.712 1.00 14.11 H new ATOM 0 HD13 ILE A 57 -1.051 -0.076 -9.330 1.00 14.11 H new ATOM 938 N ASP A 58 -4.872 3.581 -7.863 1.00 14.34 N ATOM 939 CA ASP A 58 -6.268 4.014 -8.008 1.00 51.33 C ATOM 940 C ASP A 58 -6.974 4.075 -6.645 1.00 75.42 C ATOM 941 O ASP A 58 -6.635 3.332 -5.720 1.00 71.12 O ATOM 942 CB ASP A 58 -7.042 3.062 -8.931 1.00 43.11 C ATOM 943 CG ASP A 58 -6.372 2.869 -10.280 1.00 75.11 C ATOM 944 OD1 ASP A 58 -6.447 3.780 -11.128 1.00 50.51 O ATOM 945 OD2 ASP A 58 -5.777 1.793 -10.501 1.00 21.24 O ATOM 0 H ASP A 58 -4.755 2.718 -7.332 1.00 14.34 H new ATOM 0 HA ASP A 58 -6.253 5.012 -8.447 1.00 51.33 H new ATOM 0 HB2 ASP A 58 -7.146 2.094 -8.441 1.00 43.11 H new ATOM 0 HB3 ASP A 58 -8.049 3.451 -9.084 1.00 43.11 H new ATOM 950 N VAL A 59 -7.953 4.971 -6.527 1.00 63.15 N ATOM 951 CA VAL A 59 -8.789 5.069 -5.324 1.00 42.23 C ATOM 952 C VAL A 59 -10.272 4.905 -5.695 1.00 25.11 C ATOM 953 O VAL A 59 -10.862 5.782 -6.325 1.00 2.44 O ATOM 954 CB VAL A 59 -8.585 6.423 -4.593 1.00 61.23 C ATOM 955 CG1 VAL A 59 -9.477 6.518 -3.355 1.00 14.23 C ATOM 956 CG2 VAL A 59 -7.116 6.622 -4.222 1.00 73.33 C ATOM 0 H VAL A 59 -8.190 5.646 -7.254 1.00 63.15 H new ATOM 0 HA VAL A 59 -8.487 4.269 -4.649 1.00 42.23 H new ATOM 0 HB VAL A 59 -8.874 7.222 -5.276 1.00 61.23 H new ATOM 0 HG11 VAL A 59 -9.314 7.476 -2.862 1.00 14.23 H new ATOM 0 HG12 VAL A 59 -10.522 6.436 -3.653 1.00 14.23 H new ATOM 0 HG13 VAL A 59 -9.231 5.709 -2.667 1.00 14.23 H new ATOM 0 HG21 VAL A 59 -6.996 7.577 -3.711 1.00 73.33 H new ATOM 0 HG22 VAL A 59 -6.794 5.815 -3.564 1.00 73.33 H new ATOM 0 HG23 VAL A 59 -6.508 6.616 -5.127 1.00 73.33 H new ATOM 966 N ARG A 60 -10.859 3.769 -5.323 1.00 43.30 N ATOM 967 CA ARG A 60 -12.256 3.463 -5.662 1.00 51.14 C ATOM 968 C ARG A 60 -13.162 3.495 -4.417 1.00 74.10 C ATOM 969 O ARG A 60 -13.225 2.519 -3.666 1.00 13.42 O ATOM 970 CB ARG A 60 -12.341 2.082 -6.332 1.00 55.12 C ATOM 971 CG ARG A 60 -11.639 2.008 -7.687 1.00 54.42 C ATOM 972 CD ARG A 60 -11.566 0.577 -8.218 1.00 65.44 C ATOM 973 NE ARG A 60 -10.758 -0.291 -7.356 1.00 14.14 N ATOM 974 CZ ARG A 60 -9.455 -0.226 -7.268 1.00 74.13 C ATOM 975 NH1 ARG A 60 -8.787 0.620 -7.981 1.00 24.32 N ATOM 976 NH2 ARG A 60 -8.817 -1.027 -6.477 1.00 21.44 N ATOM 0 H ARG A 60 -10.391 3.040 -4.785 1.00 43.30 H new ATOM 0 HA ARG A 60 -12.607 4.229 -6.353 1.00 51.14 H new ATOM 0 HB2 ARG A 60 -11.904 1.338 -5.666 1.00 55.12 H new ATOM 0 HB3 ARG A 60 -13.390 1.816 -6.462 1.00 55.12 H new ATOM 0 HG2 ARG A 60 -12.169 2.634 -8.404 1.00 54.42 H new ATOM 0 HG3 ARG A 60 -10.631 2.412 -7.595 1.00 54.42 H new ATOM 0 HD2 ARG A 60 -12.574 0.169 -8.300 1.00 65.44 H new ATOM 0 HD3 ARG A 60 -11.143 0.585 -9.223 1.00 65.44 H new ATOM 0 HE ARG A 60 -11.242 -0.988 -6.790 1.00 14.14 H new ATOM 0 HH11 ARG A 60 -9.276 1.246 -8.621 1.00 24.32 H new ATOM 0 HH12 ARG A 60 -7.771 0.662 -7.904 1.00 24.32 H new ATOM 0 HH21 ARG A 60 -9.331 -1.711 -5.921 1.00 21.44 H new ATOM 0 HH22 ARG A 60 -7.801 -0.975 -6.410 1.00 21.44 H new ATOM 990 N PRO A 61 -13.881 4.616 -4.183 1.00 1.52 N ATOM 991 CA PRO A 61 -14.793 4.757 -3.029 1.00 71.22 C ATOM 992 C PRO A 61 -15.844 3.633 -2.942 1.00 34.43 C ATOM 993 O PRO A 61 -16.005 2.999 -1.896 1.00 3.43 O ATOM 994 CB PRO A 61 -15.473 6.114 -3.276 1.00 4.31 C ATOM 995 CG PRO A 61 -14.511 6.869 -4.131 1.00 14.02 C ATOM 996 CD PRO A 61 -13.847 5.842 -5.008 1.00 15.25 C ATOM 0 HA PRO A 61 -14.252 4.695 -2.085 1.00 71.22 H new ATOM 0 HB2 PRO A 61 -16.434 5.990 -3.775 1.00 4.31 H new ATOM 0 HB3 PRO A 61 -15.665 6.637 -2.339 1.00 4.31 H new ATOM 0 HG2 PRO A 61 -15.026 7.620 -4.730 1.00 14.02 H new ATOM 0 HG3 PRO A 61 -13.777 7.396 -3.522 1.00 14.02 H new ATOM 0 HD2 PRO A 61 -14.383 5.709 -5.948 1.00 15.25 H new ATOM 0 HD3 PRO A 61 -12.826 6.129 -5.261 1.00 15.25 H new ATOM 1004 N GLU A 62 -16.550 3.383 -4.047 1.00 50.55 N ATOM 1005 CA GLU A 62 -17.595 2.343 -4.091 1.00 65.11 C ATOM 1006 C GLU A 62 -17.028 0.932 -3.847 1.00 72.43 C ATOM 1007 O GLU A 62 -17.754 0.018 -3.455 1.00 15.44 O ATOM 1008 CB GLU A 62 -18.324 2.378 -5.440 1.00 65.03 C ATOM 1009 CG GLU A 62 -17.428 2.076 -6.636 1.00 73.22 C ATOM 1010 CD GLU A 62 -18.186 2.103 -7.951 1.00 62.54 C ATOM 1011 OE1 GLU A 62 -18.294 3.189 -8.558 1.00 2.40 O ATOM 1012 OE2 GLU A 62 -18.688 1.042 -8.377 1.00 53.43 O ATOM 0 H GLU A 62 -16.421 3.884 -4.926 1.00 50.55 H new ATOM 0 HA GLU A 62 -18.296 2.562 -3.285 1.00 65.11 H new ATOM 0 HB2 GLU A 62 -19.141 1.656 -5.419 1.00 65.03 H new ATOM 0 HB3 GLU A 62 -18.772 3.363 -5.574 1.00 65.03 H new ATOM 0 HG2 GLU A 62 -16.618 2.804 -6.672 1.00 73.22 H new ATOM 0 HG3 GLU A 62 -16.970 1.096 -6.504 1.00 73.22 H new ATOM 1019 N LYS A 63 -15.732 0.754 -4.098 1.00 51.32 N ATOM 1020 CA LYS A 63 -15.054 -0.525 -3.841 1.00 54.23 C ATOM 1021 C LYS A 63 -14.364 -0.518 -2.467 1.00 73.24 C ATOM 1022 O LYS A 63 -14.027 -1.575 -1.928 1.00 64.12 O ATOM 1023 CB LYS A 63 -14.006 -0.799 -4.934 1.00 51.34 C ATOM 1024 CG LYS A 63 -14.586 -0.998 -6.334 1.00 0.21 C ATOM 1025 CD LYS A 63 -15.314 -2.335 -6.475 1.00 34.21 C ATOM 1026 CE LYS A 63 -14.376 -3.522 -6.268 1.00 45.13 C ATOM 1027 NZ LYS A 63 -15.053 -4.823 -6.523 1.00 63.41 N ATOM 0 H LYS A 63 -15.125 1.479 -4.480 1.00 51.32 H new ATOM 0 HA LYS A 63 -15.809 -1.311 -3.851 1.00 54.23 H new ATOM 0 HB2 LYS A 63 -13.302 0.033 -4.961 1.00 51.34 H new ATOM 0 HB3 LYS A 63 -13.438 -1.688 -4.660 1.00 51.34 H new ATOM 0 HG2 LYS A 63 -15.277 -0.185 -6.558 1.00 0.21 H new ATOM 0 HG3 LYS A 63 -13.783 -0.945 -7.069 1.00 0.21 H new ATOM 0 HD2 LYS A 63 -16.126 -2.384 -5.749 1.00 34.21 H new ATOM 0 HD3 LYS A 63 -15.766 -2.399 -7.465 1.00 34.21 H new ATOM 0 HE2 LYS A 63 -13.517 -3.425 -6.932 1.00 45.13 H new ATOM 0 HE3 LYS A 63 -13.993 -3.507 -5.248 1.00 45.13 H new ATOM 0 HZ1 LYS A 63 -14.379 -5.601 -6.371 1.00 63.41 H new ATOM 0 HZ2 LYS A 63 -15.857 -4.929 -5.872 1.00 63.41 H new ATOM 0 HZ3 LYS A 63 -15.396 -4.849 -7.504 1.00 63.41 H new ATOM 1041 N ARG A 64 -14.171 0.683 -1.911 1.00 71.14 N ATOM 1042 CA ARG A 64 -13.413 0.874 -0.664 1.00 23.50 C ATOM 1043 C ARG A 64 -11.959 0.400 -0.818 1.00 5.45 C ATOM 1044 O ARG A 64 -11.313 -0.002 0.150 1.00 72.45 O ATOM 1045 CB ARG A 64 -14.096 0.154 0.512 1.00 33.52 C ATOM 1046 CG ARG A 64 -15.516 0.642 0.780 1.00 5.40 C ATOM 1047 CD ARG A 64 -16.098 0.032 2.050 1.00 65.20 C ATOM 1048 NE ARG A 64 -17.486 0.443 2.265 1.00 41.12 N ATOM 1049 CZ ARG A 64 -17.925 1.038 3.342 1.00 4.30 C ATOM 1050 NH1 ARG A 64 -17.126 1.297 4.330 1.00 10.20 N ATOM 1051 NH2 ARG A 64 -19.171 1.369 3.429 1.00 52.20 N ATOM 0 H ARG A 64 -14.534 1.549 -2.309 1.00 71.14 H new ATOM 0 HA ARG A 64 -13.398 1.942 -0.448 1.00 23.50 H new ATOM 0 HB2 ARG A 64 -14.120 -0.916 0.308 1.00 33.52 H new ATOM 0 HB3 ARG A 64 -13.496 0.294 1.411 1.00 33.52 H new ATOM 0 HG2 ARG A 64 -15.516 1.729 0.867 1.00 5.40 H new ATOM 0 HG3 ARG A 64 -16.152 0.390 -0.068 1.00 5.40 H new ATOM 0 HD2 ARG A 64 -16.047 -1.055 1.987 1.00 65.20 H new ATOM 0 HD3 ARG A 64 -15.494 0.331 2.907 1.00 65.20 H new ATOM 0 HE ARG A 64 -18.158 0.251 1.522 1.00 41.12 H new ATOM 0 HH11 ARG A 64 -16.142 1.036 4.272 1.00 10.20 H new ATOM 0 HH12 ARG A 64 -17.482 1.762 5.165 1.00 10.20 H new ATOM 0 HH21 ARG A 64 -19.808 1.166 2.659 1.00 52.20 H new ATOM 0 HH22 ARG A 64 -19.518 1.834 4.268 1.00 52.20 H new ATOM 1065 N GLU A 65 -11.441 0.484 -2.042 1.00 64.35 N ATOM 1066 CA GLU A 65 -10.080 0.029 -2.344 1.00 73.03 C ATOM 1067 C GLU A 65 -9.142 1.201 -2.666 1.00 3.20 C ATOM 1068 O GLU A 65 -9.469 2.068 -3.480 1.00 3.44 O ATOM 1069 CB GLU A 65 -10.082 -0.929 -3.541 1.00 44.21 C ATOM 1070 CG GLU A 65 -10.925 -2.186 -3.358 1.00 11.22 C ATOM 1071 CD GLU A 65 -10.814 -3.126 -4.551 1.00 50.10 C ATOM 1072 OE1 GLU A 65 -11.046 -2.668 -5.692 1.00 44.21 O ATOM 1073 OE2 GLU A 65 -10.467 -4.310 -4.357 1.00 1.52 O ATOM 0 H GLU A 65 -11.943 0.864 -2.845 1.00 64.35 H new ATOM 0 HA GLU A 65 -9.718 -0.481 -1.452 1.00 73.03 H new ATOM 0 HB2 GLU A 65 -10.444 -0.391 -4.417 1.00 44.21 H new ATOM 0 HB3 GLU A 65 -9.055 -1.226 -3.751 1.00 44.21 H new ATOM 0 HG2 GLU A 65 -10.607 -2.707 -2.455 1.00 11.22 H new ATOM 0 HG3 GLU A 65 -11.968 -1.905 -3.214 1.00 11.22 H new ATOM 1080 N ILE A 66 -7.977 1.208 -2.029 1.00 31.14 N ATOM 1081 CA ILE A 66 -6.905 2.150 -2.360 1.00 34.33 C ATOM 1082 C ILE A 66 -5.620 1.376 -2.691 1.00 44.54 C ATOM 1083 O ILE A 66 -5.003 0.782 -1.807 1.00 41.21 O ATOM 1084 CB ILE A 66 -6.629 3.135 -1.192 1.00 11.24 C ATOM 1085 CG1 ILE A 66 -7.896 3.946 -0.856 1.00 24.44 C ATOM 1086 CG2 ILE A 66 -5.462 4.062 -1.538 1.00 60.30 C ATOM 1087 CD1 ILE A 66 -7.722 4.899 0.310 1.00 25.45 C ATOM 0 H ILE A 66 -7.746 0.566 -1.271 1.00 31.14 H new ATOM 0 HA ILE A 66 -7.225 2.731 -3.225 1.00 34.33 H new ATOM 0 HB ILE A 66 -6.354 2.557 -0.309 1.00 11.24 H new ATOM 0 HG12 ILE A 66 -8.196 4.515 -1.736 1.00 24.44 H new ATOM 0 HG13 ILE A 66 -8.709 3.256 -0.630 1.00 24.44 H new ATOM 0 HG21 ILE A 66 -5.282 4.746 -0.708 1.00 60.30 H new ATOM 0 HG22 ILE A 66 -4.566 3.468 -1.719 1.00 60.30 H new ATOM 0 HG23 ILE A 66 -5.705 4.634 -2.434 1.00 60.30 H new ATOM 0 HD11 ILE A 66 -8.656 5.433 0.486 1.00 25.45 H new ATOM 0 HD12 ILE A 66 -7.453 4.336 1.203 1.00 25.45 H new ATOM 0 HD13 ILE A 66 -6.932 5.614 0.081 1.00 25.45 H new ATOM 1099 N ASP A 67 -5.224 1.377 -3.962 1.00 52.22 N ATOM 1100 CA ASP A 67 -4.069 0.589 -4.409 1.00 60.02 C ATOM 1101 C ASP A 67 -2.753 1.360 -4.210 1.00 50.54 C ATOM 1102 O ASP A 67 -2.694 2.570 -4.423 1.00 12.21 O ATOM 1103 CB ASP A 67 -4.216 0.222 -5.890 1.00 73.14 C ATOM 1104 CG ASP A 67 -5.570 -0.378 -6.219 1.00 55.04 C ATOM 1105 OD1 ASP A 67 -5.868 -1.495 -5.752 1.00 31.22 O ATOM 1106 OD2 ASP A 67 -6.336 0.256 -6.968 1.00 21.51 O ATOM 0 H ASP A 67 -5.681 1.911 -4.701 1.00 52.22 H new ATOM 0 HA ASP A 67 -4.038 -0.318 -3.805 1.00 60.02 H new ATOM 0 HB2 ASP A 67 -4.063 1.114 -6.497 1.00 73.14 H new ATOM 0 HB3 ASP A 67 -3.434 -0.487 -6.163 1.00 73.14 H new ATOM 1111 N PHE A 68 -1.697 0.652 -3.814 1.00 22.30 N ATOM 1112 CA PHE A 68 -0.367 1.257 -3.661 1.00 30.13 C ATOM 1113 C PHE A 68 0.659 0.630 -4.618 1.00 11.22 C ATOM 1114 O PHE A 68 0.538 -0.533 -5.007 1.00 31.22 O ATOM 1115 CB PHE A 68 0.129 1.126 -2.213 1.00 54.44 C ATOM 1116 CG PHE A 68 -0.715 1.865 -1.206 1.00 24.11 C ATOM 1117 CD1 PHE A 68 -1.108 3.177 -1.437 1.00 11.11 C ATOM 1118 CD2 PHE A 68 -1.102 1.256 -0.021 1.00 73.44 C ATOM 1119 CE1 PHE A 68 -1.871 3.861 -0.511 1.00 44.24 C ATOM 1120 CE2 PHE A 68 -1.866 1.936 0.907 1.00 44.15 C ATOM 1121 CZ PHE A 68 -2.250 3.239 0.662 1.00 0.22 C ATOM 0 H PHE A 68 -1.733 -0.343 -3.592 1.00 22.30 H new ATOM 0 HA PHE A 68 -0.466 2.313 -3.913 1.00 30.13 H new ATOM 0 HB2 PHE A 68 0.157 0.070 -1.943 1.00 54.44 H new ATOM 0 HB3 PHE A 68 1.152 1.497 -2.156 1.00 54.44 H new ATOM 0 HD1 PHE A 68 -0.813 3.669 -2.352 1.00 11.11 H new ATOM 0 HD2 PHE A 68 -0.802 0.238 0.178 1.00 73.44 H new ATOM 0 HE1 PHE A 68 -2.171 4.880 -0.704 1.00 44.24 H new ATOM 0 HE2 PHE A 68 -2.163 1.449 1.824 1.00 44.15 H new ATOM 0 HZ PHE A 68 -2.847 3.772 1.388 1.00 0.22 H new ATOM 1131 N LYS A 69 1.669 1.417 -4.977 1.00 32.21 N ATOM 1132 CA LYS A 69 2.738 0.982 -5.887 1.00 64.43 C ATOM 1133 C LYS A 69 4.114 1.417 -5.354 1.00 20.11 C ATOM 1134 O LYS A 69 4.257 2.511 -4.814 1.00 74.12 O ATOM 1135 CB LYS A 69 2.494 1.591 -7.274 1.00 3.51 C ATOM 1136 CG LYS A 69 3.607 1.343 -8.289 1.00 24.11 C ATOM 1137 CD LYS A 69 3.326 2.058 -9.609 1.00 14.13 C ATOM 1138 CE LYS A 69 3.209 3.570 -9.418 1.00 75.52 C ATOM 1139 NZ LYS A 69 2.777 4.257 -10.661 1.00 11.22 N ATOM 0 H LYS A 69 1.775 2.377 -4.648 1.00 32.21 H new ATOM 0 HA LYS A 69 2.729 -0.106 -5.956 1.00 64.43 H new ATOM 0 HB2 LYS A 69 1.562 1.189 -7.673 1.00 3.51 H new ATOM 0 HB3 LYS A 69 2.356 2.667 -7.163 1.00 3.51 H new ATOM 0 HG2 LYS A 69 4.557 1.688 -7.881 1.00 24.11 H new ATOM 0 HG3 LYS A 69 3.707 0.272 -8.467 1.00 24.11 H new ATOM 0 HD2 LYS A 69 4.125 1.841 -10.318 1.00 14.13 H new ATOM 0 HD3 LYS A 69 2.403 1.673 -10.042 1.00 14.13 H new ATOM 0 HE2 LYS A 69 2.496 3.780 -8.621 1.00 75.52 H new ATOM 0 HE3 LYS A 69 4.171 3.970 -9.098 1.00 75.52 H new ATOM 0 HZ1 LYS A 69 2.711 5.280 -10.487 1.00 11.22 H new ATOM 0 HZ2 LYS A 69 3.470 4.078 -11.415 1.00 11.22 H new ATOM 0 HZ3 LYS A 69 1.847 3.894 -10.953 1.00 11.22 H new ATOM 1153 N TYR A 70 5.127 0.573 -5.519 1.00 70.43 N ATOM 1154 CA TYR A 70 6.477 0.896 -5.039 1.00 34.45 C ATOM 1155 C TYR A 70 7.280 1.654 -6.102 1.00 20.41 C ATOM 1156 O TYR A 70 7.283 1.290 -7.279 1.00 52.44 O ATOM 1157 CB TYR A 70 7.229 -0.383 -4.644 1.00 22.35 C ATOM 1158 CG TYR A 70 8.598 -0.139 -4.024 1.00 62.30 C ATOM 1159 CD1 TYR A 70 9.724 0.062 -4.820 1.00 20.33 C ATOM 1160 CD2 TYR A 70 8.763 -0.108 -2.643 1.00 61.22 C ATOM 1161 CE1 TYR A 70 10.966 0.281 -4.257 1.00 44.31 C ATOM 1162 CE2 TYR A 70 10.002 0.112 -2.075 1.00 42.42 C ATOM 1163 CZ TYR A 70 11.099 0.310 -2.885 1.00 3.52 C ATOM 1164 OH TYR A 70 12.339 0.523 -2.323 1.00 52.42 O ATOM 0 H TYR A 70 5.046 -0.335 -5.977 1.00 70.43 H new ATOM 0 HA TYR A 70 6.369 1.537 -4.164 1.00 34.45 H new ATOM 0 HB2 TYR A 70 6.619 -0.946 -3.938 1.00 22.35 H new ATOM 0 HB3 TYR A 70 7.350 -1.007 -5.529 1.00 22.35 H new ATOM 0 HD1 TYR A 70 9.624 0.046 -5.895 1.00 20.33 H new ATOM 0 HD2 TYR A 70 7.906 -0.259 -2.003 1.00 61.22 H new ATOM 0 HE1 TYR A 70 11.829 0.429 -4.889 1.00 44.31 H new ATOM 0 HE2 TYR A 70 10.111 0.129 -1.001 1.00 42.42 H new ATOM 0 HH TYR A 70 12.890 -0.280 -2.432 1.00 52.42 H new ATOM 1174 N ILE A 71 7.967 2.708 -5.676 1.00 31.15 N ATOM 1175 CA ILE A 71 8.810 3.503 -6.572 1.00 31.04 C ATOM 1176 C ILE A 71 10.197 3.759 -5.955 1.00 50.45 C ATOM 1177 O ILE A 71 10.305 4.115 -4.779 1.00 55.15 O ATOM 1178 CB ILE A 71 8.144 4.864 -6.910 1.00 73.11 C ATOM 1179 CG1 ILE A 71 7.734 5.589 -5.617 1.00 14.11 C ATOM 1180 CG2 ILE A 71 6.938 4.664 -7.830 1.00 11.22 C ATOM 1181 CD1 ILE A 71 7.140 6.959 -5.846 1.00 44.50 C ATOM 0 H ILE A 71 7.959 3.036 -4.710 1.00 31.15 H new ATOM 0 HA ILE A 71 8.929 2.926 -7.489 1.00 31.04 H new ATOM 0 HB ILE A 71 8.868 5.484 -7.439 1.00 73.11 H new ATOM 0 HG12 ILE A 71 7.010 4.975 -5.081 1.00 14.11 H new ATOM 0 HG13 ILE A 71 8.608 5.686 -4.973 1.00 14.11 H new ATOM 0 HG21 ILE A 71 6.487 5.631 -8.054 1.00 11.22 H new ATOM 0 HG22 ILE A 71 7.262 4.191 -8.757 1.00 11.22 H new ATOM 0 HG23 ILE A 71 6.205 4.027 -7.335 1.00 11.22 H new ATOM 0 HD11 ILE A 71 6.876 7.406 -4.888 1.00 44.50 H new ATOM 0 HD12 ILE A 71 7.869 7.591 -6.353 1.00 44.50 H new ATOM 0 HD13 ILE A 71 6.246 6.869 -6.463 1.00 44.50 H new ATOM 1193 N PRO A 72 11.285 3.564 -6.729 1.00 43.23 N ATOM 1194 CA PRO A 72 12.641 3.885 -6.262 1.00 0.13 C ATOM 1195 C PRO A 72 12.870 5.405 -6.179 1.00 31.24 C ATOM 1196 O PRO A 72 13.530 6.004 -7.032 1.00 4.35 O ATOM 1197 CB PRO A 72 13.546 3.238 -7.323 1.00 61.15 C ATOM 1198 CG PRO A 72 12.711 3.209 -8.560 1.00 41.34 C ATOM 1199 CD PRO A 72 11.285 3.012 -8.101 1.00 41.03 C ATOM 0 HA PRO A 72 12.837 3.517 -5.255 1.00 0.13 H new ATOM 0 HB2 PRO A 72 14.458 3.816 -7.473 1.00 61.15 H new ATOM 0 HB3 PRO A 72 13.851 2.234 -7.026 1.00 61.15 H new ATOM 0 HG2 PRO A 72 12.815 4.138 -9.121 1.00 41.34 H new ATOM 0 HG3 PRO A 72 13.022 2.400 -9.221 1.00 41.34 H new ATOM 0 HD2 PRO A 72 10.580 3.537 -8.745 1.00 41.03 H new ATOM 0 HD3 PRO A 72 11.002 1.959 -8.110 1.00 41.03 H new ATOM 1207 N LEU A 73 12.293 6.024 -5.151 1.00 52.51 N ATOM 1208 CA LEU A 73 12.349 7.480 -4.984 1.00 73.11 C ATOM 1209 C LEU A 73 13.754 7.956 -4.583 1.00 43.04 C ATOM 1210 O LEU A 73 14.358 7.426 -3.646 1.00 61.05 O ATOM 1211 CB LEU A 73 11.319 7.929 -3.935 1.00 51.43 C ATOM 1212 CG LEU A 73 11.201 9.450 -3.727 1.00 53.13 C ATOM 1213 CD1 LEU A 73 10.741 10.138 -5.011 1.00 31.42 C ATOM 1214 CD2 LEU A 73 10.247 9.764 -2.574 1.00 73.41 C ATOM 0 H LEU A 73 11.778 5.539 -4.416 1.00 52.51 H new ATOM 0 HA LEU A 73 12.110 7.933 -5.946 1.00 73.11 H new ATOM 0 HB2 LEU A 73 10.341 7.543 -4.223 1.00 51.43 H new ATOM 0 HB3 LEU A 73 11.575 7.469 -2.981 1.00 51.43 H new ATOM 0 HG LEU A 73 12.187 9.836 -3.469 1.00 53.13 H new ATOM 0 HD11 LEU A 73 10.664 11.212 -4.841 1.00 31.42 H new ATOM 0 HD12 LEU A 73 11.463 9.947 -5.805 1.00 31.42 H new ATOM 0 HD13 LEU A 73 9.767 9.747 -5.304 1.00 31.42 H new ATOM 0 HD21 LEU A 73 10.177 10.844 -2.443 1.00 73.41 H new ATOM 0 HD22 LEU A 73 9.259 9.361 -2.799 1.00 73.41 H new ATOM 0 HD23 LEU A 73 10.623 9.311 -1.657 1.00 73.41 H new ATOM 1226 N GLU A 74 14.261 8.957 -5.300 1.00 2.51 N ATOM 1227 CA GLU A 74 15.572 9.557 -5.008 1.00 75.11 C ATOM 1228 C GLU A 74 15.625 11.042 -5.432 1.00 0.23 C ATOM 1229 O GLU A 74 15.909 11.905 -4.570 1.00 38.18 O ATOM 1230 CB GLU A 74 16.704 8.759 -5.682 1.00 12.32 C ATOM 1231 CG GLU A 74 16.564 8.612 -7.197 1.00 74.20 C ATOM 1232 CD GLU A 74 17.779 7.958 -7.837 1.00 63.03 C ATOM 1233 OE1 GLU A 74 18.769 8.670 -8.104 1.00 54.20 O ATOM 1234 OE2 GLU A 74 17.757 6.731 -8.069 1.00 65.25 O ATOM 0 H GLU A 74 13.782 9.377 -6.097 1.00 2.51 H new ATOM 0 HA GLU A 74 15.717 9.515 -3.928 1.00 75.11 H new ATOM 0 HB2 GLU A 74 17.654 9.246 -5.464 1.00 12.32 H new ATOM 0 HB3 GLU A 74 16.746 7.765 -5.236 1.00 12.32 H new ATOM 0 HG2 GLU A 74 15.677 8.019 -7.420 1.00 74.20 H new ATOM 0 HG3 GLU A 74 16.410 9.596 -7.641 1.00 74.20 H new TER 1241 GLU A 74