USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -158:sc=-0.00369 (180deg=-0.374) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -113:sc= 0.905 USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 2.31 (180deg=0.863) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 13 GLN : amide:sc= 1.31 K(o=1.3,f=-6.1!) USER MOD Single : A 22 SER OG : rot -170:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0.637 (180deg=0.27) USER MOD Single : A 45 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.47) USER MOD Single : A 47 GLN : amide:sc= 0.91 K(o=0.91,f=-0.075) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0389 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.92 K(o=0.92,f=-0.00019) USER MOD Single : A 57 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0058) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.17) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= 0.924 (180deg=0.327) USER MOD Single : A 74 TYR OH : rot 166:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.442 X(o=0.44,f=-0.017) USER MOD Single : A 82 ASN : amide:sc= 2.21 K(o=2.2,f=-6.6!) USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.955 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.753) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 1.942 13.815 5.455 1.00 0.00 N ATOM 36 CA LYS A 1 1.060 14.049 6.636 1.00 0.00 C ATOM 37 C LYS A 1 0.204 12.815 7.067 1.00 0.00 C ATOM 38 O LYS A 1 0.260 12.442 8.242 1.00 0.00 O ATOM 39 CB LYS A 1 0.247 15.357 6.401 1.00 0.00 C ATOM 40 CG LYS A 1 0.859 16.694 6.903 1.00 0.00 C ATOM 41 CD LYS A 1 2.226 17.127 6.314 1.00 0.00 C ATOM 42 CE LYS A 1 3.423 16.806 7.232 1.00 0.00 C ATOM 43 NZ LYS A 1 4.684 17.260 6.592 1.00 0.00 N ATOM 0 H1 LYS A 1 2.718 14.507 5.459 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.335 12.853 5.501 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.388 13.921 4.581 1.00 0.00 H new ATOM 0 HA LYS A 1 1.691 14.190 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.069 15.452 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.726 15.236 6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.140 17.488 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.966 16.628 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.372 16.632 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.205 18.199 6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.296 17.298 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.468 15.734 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.488 17.041 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.807 16.771 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.641 18.286 6.430 1.00 0.00 H new ATOM 57 N VAL A 2 -0.596 12.205 6.170 1.00 0.00 N ATOM 58 CA VAL A 2 -1.360 10.959 6.482 1.00 0.00 C ATOM 59 C VAL A 2 -1.107 9.949 5.310 1.00 0.00 C ATOM 60 O VAL A 2 -1.708 10.063 4.234 1.00 0.00 O ATOM 61 CB VAL A 2 -2.887 11.238 6.727 1.00 0.00 C ATOM 62 CG1 VAL A 2 -3.661 9.961 7.129 1.00 0.00 C ATOM 63 CG2 VAL A 2 -3.201 12.301 7.808 1.00 0.00 C ATOM 0 H VAL A 2 -0.737 12.548 5.220 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.009 10.529 7.420 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.211 11.620 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.711 10.207 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.577 9.220 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.241 9.555 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.281 12.419 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.788 11.980 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.755 13.254 7.522 1.00 0.00 H new ATOM 73 N ASP A 3 -0.237 8.951 5.546 1.00 0.00 N ATOM 74 CA ASP A 3 -0.034 7.803 4.616 1.00 0.00 C ATOM 75 C ASP A 3 -0.604 6.512 5.286 1.00 0.00 C ATOM 76 O ASP A 3 -0.078 6.093 6.321 1.00 0.00 O ATOM 77 CB ASP A 3 1.491 7.680 4.332 1.00 0.00 C ATOM 78 CG ASP A 3 1.898 6.817 3.140 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.098 5.984 2.663 1.00 0.00 O ATOM 80 OD2 ASP A 3 3.013 7.017 2.621 1.00 0.00 O ATOM 0 H ASP A 3 0.348 8.908 6.381 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.555 7.951 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.891 8.682 4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.972 7.278 5.224 1.00 0.00 H new ATOM 85 N ILE A 4 -1.664 5.894 4.730 1.00 0.00 N ATOM 86 CA ILE A 4 -2.269 4.651 5.308 1.00 0.00 C ATOM 87 C ILE A 4 -1.870 3.428 4.413 1.00 0.00 C ATOM 88 O ILE A 4 -2.427 3.224 3.330 1.00 0.00 O ATOM 89 CB ILE A 4 -3.828 4.711 5.550 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.410 6.046 6.103 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.265 3.581 6.515 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.867 7.024 5.018 1.00 0.00 C ATOM 0 H ILE A 4 -2.127 6.225 3.883 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.858 4.542 6.312 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.233 4.602 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.255 5.820 6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.654 6.532 6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.342 3.634 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.009 2.614 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.752 3.699 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.259 7.928 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.021 7.282 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.647 6.560 4.415 1.00 0.00 H new ATOM 104 N THR A 5 -0.947 2.594 4.913 1.00 0.00 N ATOM 105 CA THR A 5 -0.559 1.298 4.289 1.00 0.00 C ATOM 106 C THR A 5 -1.326 0.132 4.991 1.00 0.00 C ATOM 107 O THR A 5 -1.081 -0.169 6.164 1.00 0.00 O ATOM 108 CB THR A 5 1.000 1.188 4.348 1.00 0.00 C ATOM 109 OG1 THR A 5 1.579 2.007 3.335 1.00 0.00 O ATOM 110 CG2 THR A 5 1.598 -0.212 4.158 1.00 0.00 C ATOM 0 H THR A 5 -0.436 2.793 5.773 1.00 0.00 H new ATOM 0 HA THR A 5 -0.844 1.236 3.239 1.00 0.00 H new ATOM 0 HB THR A 5 1.234 1.500 5.366 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.011 1.440 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.685 -0.155 4.220 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.224 -0.876 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.310 -0.601 3.181 1.00 0.00 H new ATOM 118 N ILE A 6 -2.229 -0.546 4.264 1.00 0.00 N ATOM 119 CA ILE A 6 -2.987 -1.720 4.796 1.00 0.00 C ATOM 120 C ILE A 6 -2.587 -2.963 3.943 1.00 0.00 C ATOM 121 O ILE A 6 -3.121 -3.165 2.848 1.00 0.00 O ATOM 122 CB ILE A 6 -4.536 -1.457 4.804 1.00 0.00 C ATOM 123 CG1 ILE A 6 -5.002 -0.162 5.521 1.00 0.00 C ATOM 124 CG2 ILE A 6 -5.344 -2.667 5.344 1.00 0.00 C ATOM 125 CD1 ILE A 6 -4.722 -0.069 7.029 1.00 0.00 C ATOM 0 H ILE A 6 -2.462 -0.309 3.300 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.728 -1.901 5.839 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.753 -1.309 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.524 0.688 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.076 -0.055 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.408 -2.431 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.156 -3.539 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.036 -2.883 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.095 0.881 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.224 -0.889 7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.648 -0.134 7.204 1.00 0.00 H new ATOM 137 N LYS A 7 -1.677 -3.811 4.454 1.00 0.00 N ATOM 138 CA LYS A 7 -1.236 -5.044 3.741 1.00 0.00 C ATOM 139 C LYS A 7 -1.972 -6.306 4.289 1.00 0.00 C ATOM 140 O LYS A 7 -1.555 -6.902 5.285 1.00 0.00 O ATOM 141 CB LYS A 7 0.331 -5.102 3.747 1.00 0.00 C ATOM 142 CG LYS A 7 0.918 -4.915 2.330 1.00 0.00 C ATOM 143 CD LYS A 7 2.425 -4.601 2.215 1.00 0.00 C ATOM 144 CE LYS A 7 2.804 -3.104 2.300 1.00 0.00 C ATOM 145 NZ LYS A 7 2.346 -2.318 1.110 1.00 0.00 N ATOM 0 H LYS A 7 -1.227 -3.673 5.359 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.528 -5.020 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.721 -4.327 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.658 -6.060 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.720 -5.824 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.369 -4.109 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.951 -5.136 3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.789 -4.996 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.368 -2.675 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.886 -3.013 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.089 -1.647 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.150 -2.966 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.480 -1.795 1.352 1.00 0.00 H new ATOM 159 N ILE A 8 -3.070 -6.710 3.614 1.00 0.00 N ATOM 160 CA ILE A 8 -3.881 -7.917 3.974 1.00 0.00 C ATOM 161 C ILE A 8 -3.218 -9.161 3.287 1.00 0.00 C ATOM 162 O ILE A 8 -3.407 -9.416 2.093 1.00 0.00 O ATOM 163 CB ILE A 8 -5.392 -7.668 3.592 1.00 0.00 C ATOM 164 CG1 ILE A 8 -6.068 -6.533 4.423 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.286 -8.931 3.714 1.00 0.00 C ATOM 166 CD1 ILE A 8 -7.283 -5.869 3.748 1.00 0.00 C ATOM 0 H ILE A 8 -3.429 -6.213 2.799 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.889 -8.115 5.046 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.329 -7.369 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.383 -6.944 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.324 -5.765 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.310 -8.681 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.909 -9.709 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.268 -9.291 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.684 -5.094 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.975 -5.423 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.051 -6.620 3.562 1.00 0.00 H new ATOM 178 N GLN A 9 -2.421 -9.920 4.052 1.00 0.00 N ATOM 179 CA GLN A 9 -1.551 -11.005 3.523 1.00 0.00 C ATOM 180 C GLN A 9 -2.204 -12.385 3.843 1.00 0.00 C ATOM 181 O GLN A 9 -1.957 -12.994 4.892 1.00 0.00 O ATOM 182 CB GLN A 9 -0.139 -10.813 4.150 1.00 0.00 C ATOM 183 CG GLN A 9 0.641 -9.558 3.663 1.00 0.00 C ATOM 184 CD GLN A 9 1.803 -9.132 4.568 1.00 0.00 C ATOM 185 OE1 GLN A 9 1.660 -8.956 5.774 1.00 0.00 O ATOM 186 NE2 GLN A 9 2.972 -8.897 4.023 1.00 0.00 N ATOM 0 H GLN A 9 -2.354 -9.806 5.063 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.443 -10.969 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.246 -10.756 5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.459 -11.698 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.030 -9.754 2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.057 -8.725 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.106 -9.039 3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.748 -8.572 4.600 1.00 0.00 H new ATOM 195 N ARG A 10 -3.088 -12.862 2.945 1.00 0.00 N ATOM 196 CA ARG A 10 -3.929 -14.068 3.201 1.00 0.00 C ATOM 197 C ARG A 10 -3.236 -15.404 2.783 1.00 0.00 C ATOM 198 O ARG A 10 -3.567 -16.017 1.766 1.00 0.00 O ATOM 199 CB ARG A 10 -5.367 -13.821 2.659 1.00 0.00 C ATOM 200 CG ARG A 10 -5.583 -13.705 1.129 1.00 0.00 C ATOM 201 CD ARG A 10 -7.033 -13.313 0.798 1.00 0.00 C ATOM 202 NE ARG A 10 -7.223 -13.291 -0.675 1.00 0.00 N ATOM 203 CZ ARG A 10 -8.327 -12.894 -1.304 1.00 0.00 C ATOM 204 NH1 ARG A 10 -9.403 -12.465 -0.692 1.00 0.00 N ATOM 205 NH2 ARG A 10 -8.329 -12.936 -2.603 1.00 0.00 N ATOM 0 H ARG A 10 -3.245 -12.436 2.032 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.043 -14.220 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.999 -14.633 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.737 -12.902 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.900 -12.961 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.343 -14.656 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.724 -14.022 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.260 -12.333 1.218 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.443 -13.606 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.427 -12.421 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.217 -12.175 -1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.504 -13.265 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.156 -12.640 -3.122 1.00 0.00 H new ATOM 219 N ASP A 11 -2.269 -15.841 3.617 1.00 0.00 N ATOM 220 CA ASP A 11 -1.497 -17.108 3.432 1.00 0.00 C ATOM 221 C ASP A 11 -0.720 -17.204 2.064 1.00 0.00 C ATOM 222 O ASP A 11 -1.041 -18.006 1.182 1.00 0.00 O ATOM 223 CB ASP A 11 -2.398 -18.321 3.816 1.00 0.00 C ATOM 224 CG ASP A 11 -1.656 -19.458 4.510 1.00 0.00 C ATOM 225 OD1 ASP A 11 -1.317 -19.301 5.704 1.00 0.00 O ATOM 226 OD2 ASP A 11 -1.429 -20.513 3.882 1.00 0.00 O ATOM 0 H ASP A 11 -1.992 -15.324 4.451 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.657 -17.120 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.198 -17.972 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.870 -18.708 2.913 1.00 0.00 H new ATOM 231 N GLY A 12 0.277 -16.316 1.872 1.00 0.00 N ATOM 232 CA GLY A 12 0.937 -16.117 0.548 1.00 0.00 C ATOM 233 C GLY A 12 0.177 -15.331 -0.554 1.00 0.00 C ATOM 234 O GLY A 12 0.351 -15.649 -1.732 1.00 0.00 O ATOM 0 H GLY A 12 0.649 -15.721 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.884 -15.607 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.176 -17.102 0.146 1.00 0.00 H new ATOM 238 N GLN A 13 -0.622 -14.304 -0.204 1.00 0.00 N ATOM 239 CA GLN A 13 -1.331 -13.452 -1.202 1.00 0.00 C ATOM 240 C GLN A 13 -1.613 -12.038 -0.597 1.00 0.00 C ATOM 241 O GLN A 13 -2.495 -11.871 0.255 1.00 0.00 O ATOM 242 CB GLN A 13 -2.623 -14.178 -1.678 1.00 0.00 C ATOM 243 CG GLN A 13 -3.298 -13.539 -2.919 1.00 0.00 C ATOM 244 CD GLN A 13 -4.577 -14.246 -3.371 1.00 0.00 C ATOM 245 OE1 GLN A 13 -5.690 -13.866 -3.019 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.473 -15.288 -4.160 1.00 0.00 N ATOM 0 H GLN A 13 -0.798 -14.037 0.764 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.705 -13.296 -2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.379 -15.215 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.340 -14.193 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.531 -12.498 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.586 -13.536 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.553 -15.612 -4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.312 -15.775 -4.475 1.00 0.00 H new ATOM 255 N GLU A 14 -0.868 -11.023 -1.054 1.00 0.00 N ATOM 256 CA GLU A 14 -0.898 -9.643 -0.502 1.00 0.00 C ATOM 257 C GLU A 14 -1.919 -8.705 -1.225 1.00 0.00 C ATOM 258 O GLU A 14 -1.702 -8.233 -2.344 1.00 0.00 O ATOM 259 CB GLU A 14 0.553 -9.069 -0.469 1.00 0.00 C ATOM 260 CG GLU A 14 1.412 -9.072 -1.770 1.00 0.00 C ATOM 261 CD GLU A 14 2.091 -10.399 -2.096 1.00 0.00 C ATOM 262 OE1 GLU A 14 1.417 -11.306 -2.632 1.00 0.00 O ATOM 263 OE2 GLU A 14 3.294 -10.545 -1.798 1.00 0.00 O ATOM 0 H GLU A 14 -0.214 -11.129 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.272 -9.693 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.488 -8.037 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.106 -9.624 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.774 -8.793 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.178 -8.302 -1.682 1.00 0.00 H new ATOM 270 N ILE A 15 -3.033 -8.392 -0.540 1.00 0.00 N ATOM 271 CA ILE A 15 -4.005 -7.349 -0.981 1.00 0.00 C ATOM 272 C ILE A 15 -3.559 -6.025 -0.273 1.00 0.00 C ATOM 273 O ILE A 15 -3.883 -5.796 0.900 1.00 0.00 O ATOM 274 CB ILE A 15 -5.485 -7.820 -0.706 1.00 0.00 C ATOM 275 CG1 ILE A 15 -5.986 -8.969 -1.639 1.00 0.00 C ATOM 276 CG2 ILE A 15 -6.519 -6.667 -0.837 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.396 -10.365 -1.387 1.00 0.00 C ATOM 0 H ILE A 15 -3.294 -8.848 0.334 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.002 -7.171 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.428 -8.186 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.070 -9.035 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.771 -8.689 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.519 -7.051 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.281 -5.882 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.482 -6.259 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.822 -11.074 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.314 -10.331 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.633 -10.682 -0.372 1.00 0.00 H new ATOM 289 N GLU A 16 -2.787 -5.180 -0.983 1.00 0.00 N ATOM 290 CA GLU A 16 -2.172 -3.965 -0.389 1.00 0.00 C ATOM 291 C GLU A 16 -2.927 -2.651 -0.756 1.00 0.00 C ATOM 292 O GLU A 16 -2.895 -2.180 -1.897 1.00 0.00 O ATOM 293 CB GLU A 16 -0.648 -3.949 -0.651 1.00 0.00 C ATOM 294 CG GLU A 16 -0.067 -3.763 -2.072 1.00 0.00 C ATOM 295 CD GLU A 16 1.460 -3.853 -2.145 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.159 -3.602 -1.135 1.00 0.00 O ATOM 297 OE2 GLU A 16 1.969 -4.159 -3.239 1.00 0.00 O ATOM 0 H GLU A 16 -2.571 -5.312 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.290 -4.012 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.230 -3.154 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.253 -4.890 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.496 -4.520 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.381 -2.792 -2.456 1.00 0.00 H new ATOM 304 N ILE A 17 -3.611 -2.059 0.238 1.00 0.00 N ATOM 305 CA ILE A 17 -4.338 -0.766 0.070 1.00 0.00 C ATOM 306 C ILE A 17 -3.417 0.349 0.672 1.00 0.00 C ATOM 307 O ILE A 17 -3.483 0.667 1.865 1.00 0.00 O ATOM 308 CB ILE A 17 -5.795 -0.845 0.660 1.00 0.00 C ATOM 309 CG1 ILE A 17 -6.669 -1.982 0.038 1.00 0.00 C ATOM 310 CG2 ILE A 17 -6.531 0.514 0.506 1.00 0.00 C ATOM 311 CD1 ILE A 17 -7.944 -2.347 0.824 1.00 0.00 C ATOM 0 H ILE A 17 -3.682 -2.451 1.177 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.517 -0.520 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.665 -1.084 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.958 -1.684 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.054 -2.877 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.535 0.433 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.980 1.289 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.595 0.775 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.475 -3.145 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.671 -2.683 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.589 -1.471 0.899 1.00 0.00 H new ATOM 323 N ASP A 18 -2.551 0.914 -0.183 1.00 0.00 N ATOM 324 CA ASP A 18 -1.533 1.922 0.217 1.00 0.00 C ATOM 325 C ASP A 18 -1.951 3.329 -0.319 1.00 0.00 C ATOM 326 O ASP A 18 -1.820 3.620 -1.513 1.00 0.00 O ATOM 327 CB ASP A 18 -0.152 1.427 -0.298 1.00 0.00 C ATOM 328 CG ASP A 18 0.581 0.457 0.633 1.00 0.00 C ATOM 329 OD1 ASP A 18 0.178 -0.717 0.791 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.595 0.874 1.230 1.00 0.00 O ATOM 0 H ASP A 18 -2.530 0.690 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.460 2.032 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.295 0.941 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.486 2.294 -0.469 1.00 0.00 H new ATOM 335 N ILE A 19 -2.483 4.195 0.566 1.00 0.00 N ATOM 336 CA ILE A 19 -3.251 5.419 0.160 1.00 0.00 C ATOM 337 C ILE A 19 -2.768 6.715 0.906 1.00 0.00 C ATOM 338 O ILE A 19 -2.414 6.698 2.088 1.00 0.00 O ATOM 339 CB ILE A 19 -4.807 5.209 0.298 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.285 4.798 1.723 1.00 0.00 C ATOM 341 CG2 ILE A 19 -5.361 4.226 -0.766 1.00 0.00 C ATOM 342 CD1 ILE A 19 -6.769 5.067 2.027 1.00 0.00 C ATOM 0 H ILE A 19 -2.401 4.080 1.576 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.038 5.576 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.226 6.199 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.091 3.734 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.680 5.329 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.437 4.113 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.159 4.617 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.877 3.256 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.996 4.745 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.973 6.133 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.391 4.514 1.323 1.00 0.00 H new ATOM 354 N ARG A 20 -2.794 7.861 0.198 1.00 0.00 N ATOM 355 CA ARG A 20 -2.352 9.186 0.732 1.00 0.00 C ATOM 356 C ARG A 20 -3.587 10.145 0.837 1.00 0.00 C ATOM 357 O ARG A 20 -4.128 10.565 -0.193 1.00 0.00 O ATOM 358 CB ARG A 20 -1.268 9.759 -0.240 1.00 0.00 C ATOM 359 CG ARG A 20 0.220 9.443 0.064 1.00 0.00 C ATOM 360 CD ARG A 20 0.630 7.977 0.294 1.00 0.00 C ATOM 361 NE ARG A 20 0.546 7.097 -0.902 1.00 0.00 N ATOM 362 CZ ARG A 20 0.877 5.802 -0.910 1.00 0.00 C ATOM 363 NH1 ARG A 20 1.254 5.119 0.149 1.00 0.00 N ATOM 364 NH2 ARG A 20 0.820 5.166 -2.044 1.00 0.00 N ATOM 0 H ARG A 20 -3.122 7.905 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.924 9.085 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.490 9.392 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.381 10.843 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.816 9.827 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.504 10.009 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.654 7.958 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.003 7.559 1.077 1.00 0.00 H new ATOM 0 HE ARG A 20 0.214 7.509 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.309 5.578 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.491 4.131 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.530 5.657 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.066 4.177 -2.087 1.00 0.00 H new ATOM 378 N VAL A 21 -4.025 10.509 2.058 1.00 0.00 N ATOM 379 CA VAL A 21 -5.236 11.377 2.264 1.00 0.00 C ATOM 380 C VAL A 21 -5.023 12.344 3.478 1.00 0.00 C ATOM 381 O VAL A 21 -5.496 12.098 4.593 1.00 0.00 O ATOM 382 CB VAL A 21 -6.594 10.584 2.360 1.00 0.00 C ATOM 383 CG1 VAL A 21 -7.109 10.057 1.005 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.597 9.422 3.373 1.00 0.00 C ATOM 0 H VAL A 21 -3.570 10.224 2.925 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.338 11.976 1.359 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.276 11.352 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.047 9.523 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.273 10.895 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.371 9.380 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.573 8.937 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.831 8.698 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.389 9.809 4.371 1.00 0.00 H new ATOM 394 N SER A 22 -4.355 13.492 3.258 1.00 0.00 N ATOM 395 CA SER A 22 -4.113 14.499 4.334 1.00 0.00 C ATOM 396 C SER A 22 -5.299 15.490 4.564 1.00 0.00 C ATOM 397 O SER A 22 -5.230 16.675 4.221 1.00 0.00 O ATOM 398 CB SER A 22 -2.769 15.188 4.011 1.00 0.00 C ATOM 399 OG SER A 22 -2.480 16.203 4.971 1.00 0.00 O ATOM 0 H SER A 22 -3.970 13.754 2.351 1.00 0.00 H new ATOM 0 HA SER A 22 -4.050 13.998 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.968 14.449 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.809 15.625 3.013 1.00 0.00 H new ATOM 0 HG SER A 22 -1.713 16.732 4.667 1.00 0.00 H new ATOM 405 N THR A 23 -6.384 14.981 5.171 1.00 0.00 N ATOM 406 CA THR A 23 -7.709 15.670 5.189 1.00 0.00 C ATOM 407 C THR A 23 -8.620 14.986 6.260 1.00 0.00 C ATOM 408 O THR A 23 -8.898 13.785 6.173 1.00 0.00 O ATOM 409 CB THR A 23 -8.348 15.723 3.761 1.00 0.00 C ATOM 410 OG1 THR A 23 -9.641 16.310 3.820 1.00 0.00 O ATOM 411 CG2 THR A 23 -8.481 14.380 3.021 1.00 0.00 C ATOM 0 H THR A 23 -6.380 14.087 5.663 1.00 0.00 H new ATOM 0 HA THR A 23 -7.584 16.714 5.478 1.00 0.00 H new ATOM 0 HB THR A 23 -7.637 16.320 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.029 16.339 2.920 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.937 14.546 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.494 13.937 2.890 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.107 13.704 3.603 1.00 0.00 H new ATOM 419 N GLY A 24 -9.094 15.744 7.270 1.00 0.00 N ATOM 420 CA GLY A 24 -9.774 15.160 8.469 1.00 0.00 C ATOM 421 C GLY A 24 -11.224 14.607 8.388 1.00 0.00 C ATOM 422 O GLY A 24 -11.949 14.666 9.381 1.00 0.00 O ATOM 0 H GLY A 24 -9.024 16.761 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.143 14.346 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.770 15.929 9.242 1.00 0.00 H new ATOM 426 N LYS A 25 -11.614 14.023 7.248 1.00 0.00 N ATOM 427 CA LYS A 25 -12.833 13.166 7.110 1.00 0.00 C ATOM 428 C LYS A 25 -12.611 11.946 6.155 1.00 0.00 C ATOM 429 O LYS A 25 -13.130 10.865 6.445 1.00 0.00 O ATOM 430 CB LYS A 25 -14.097 13.971 6.687 1.00 0.00 C ATOM 431 CG LYS A 25 -14.658 14.892 7.796 1.00 0.00 C ATOM 432 CD LYS A 25 -16.066 15.442 7.499 1.00 0.00 C ATOM 433 CE LYS A 25 -16.595 16.286 8.673 1.00 0.00 C ATOM 434 NZ LYS A 25 -17.974 16.764 8.384 1.00 0.00 N ATOM 0 H LYS A 25 -11.096 14.124 6.375 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.016 12.773 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.854 14.577 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.875 13.271 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.686 14.339 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.975 15.729 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.038 16.050 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.749 14.615 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.593 15.692 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.936 17.137 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.319 17.332 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.966 17.347 7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.602 15.947 8.243 1.00 0.00 H new ATOM 448 N GLU A 26 -11.858 12.076 5.042 1.00 0.00 N ATOM 449 CA GLU A 26 -11.628 10.951 4.089 1.00 0.00 C ATOM 450 C GLU A 26 -10.780 9.749 4.637 1.00 0.00 C ATOM 451 O GLU A 26 -11.062 8.605 4.267 1.00 0.00 O ATOM 452 CB GLU A 26 -11.137 11.467 2.704 1.00 0.00 C ATOM 453 CG GLU A 26 -11.866 12.677 2.041 1.00 0.00 C ATOM 454 CD GLU A 26 -13.384 12.736 2.145 1.00 0.00 C ATOM 455 OE1 GLU A 26 -14.090 12.008 1.417 1.00 0.00 O ATOM 456 OE2 GLU A 26 -13.894 13.512 2.979 1.00 0.00 O ATOM 0 H GLU A 26 -11.396 12.945 4.775 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.612 10.503 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.085 11.734 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.187 10.631 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.465 13.591 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.602 12.688 0.983 1.00 0.00 H new ATOM 463 N LEU A 27 -9.825 9.965 5.570 1.00 0.00 N ATOM 464 CA LEU A 27 -9.281 8.872 6.435 1.00 0.00 C ATOM 465 C LEU A 27 -10.332 8.074 7.294 1.00 0.00 C ATOM 466 O LEU A 27 -10.250 6.847 7.343 1.00 0.00 O ATOM 467 CB LEU A 27 -8.039 9.370 7.241 1.00 0.00 C ATOM 468 CG LEU A 27 -8.234 10.055 8.625 1.00 0.00 C ATOM 469 CD1 LEU A 27 -6.881 10.237 9.334 1.00 0.00 C ATOM 470 CD2 LEU A 27 -8.929 11.423 8.543 1.00 0.00 C ATOM 0 H LEU A 27 -9.411 10.880 5.749 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.944 8.098 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.386 8.511 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.500 10.072 6.605 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.883 9.387 9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.038 10.717 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.415 9.263 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.230 10.860 8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.031 11.840 9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.333 12.097 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.917 11.303 8.098 1.00 0.00 H new ATOM 482 N GLU A 28 -11.321 8.744 7.926 1.00 0.00 N ATOM 483 CA GLU A 28 -12.495 8.079 8.568 1.00 0.00 C ATOM 484 C GLU A 28 -13.425 7.291 7.575 1.00 0.00 C ATOM 485 O GLU A 28 -13.727 6.120 7.821 1.00 0.00 O ATOM 486 CB GLU A 28 -13.272 9.155 9.379 1.00 0.00 C ATOM 487 CG GLU A 28 -14.320 8.584 10.371 1.00 0.00 C ATOM 488 CD GLU A 28 -15.400 9.570 10.788 1.00 0.00 C ATOM 489 OE1 GLU A 28 -15.123 10.451 11.626 1.00 0.00 O ATOM 490 OE2 GLU A 28 -16.537 9.448 10.285 1.00 0.00 O ATOM 0 H GLU A 28 -11.335 9.760 8.010 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.120 7.299 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.556 9.759 9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.778 9.822 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.796 7.715 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.802 8.233 11.264 1.00 0.00 H new ATOM 497 N ARG A 29 -13.838 7.905 6.447 1.00 0.00 N ATOM 498 CA ARG A 29 -14.549 7.205 5.333 1.00 0.00 C ATOM 499 C ARG A 29 -13.814 5.946 4.749 1.00 0.00 C ATOM 500 O ARG A 29 -14.432 4.884 4.626 1.00 0.00 O ATOM 501 CB ARG A 29 -14.855 8.243 4.217 1.00 0.00 C ATOM 502 CG ARG A 29 -15.900 9.334 4.560 1.00 0.00 C ATOM 503 CD ARG A 29 -15.875 10.484 3.536 1.00 0.00 C ATOM 504 NE ARG A 29 -17.061 11.358 3.711 1.00 0.00 N ATOM 505 CZ ARG A 29 -17.402 12.355 2.895 1.00 0.00 C ATOM 506 NH1 ARG A 29 -16.651 12.804 1.919 1.00 0.00 N ATOM 507 NH2 ARG A 29 -18.558 12.924 3.081 1.00 0.00 N ATOM 0 H ARG A 29 -13.693 8.900 6.273 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.466 6.795 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.922 8.737 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.200 7.704 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.895 8.890 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.701 9.729 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.963 11.069 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.860 10.078 2.524 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.661 11.183 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.738 12.385 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.980 13.572 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -19.169 12.603 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.852 13.690 2.476 1.00 0.00 H new ATOM 521 N ALA A 30 -12.501 6.041 4.452 1.00 0.00 N ATOM 522 CA ALA A 30 -11.632 4.858 4.218 1.00 0.00 C ATOM 523 C ALA A 30 -11.567 3.826 5.394 1.00 0.00 C ATOM 524 O ALA A 30 -11.834 2.650 5.153 1.00 0.00 O ATOM 525 CB ALA A 30 -10.245 5.391 3.807 1.00 0.00 C ATOM 0 H ALA A 30 -12.012 6.932 4.367 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.074 4.259 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.572 4.553 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.338 5.986 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.842 6.012 4.607 1.00 0.00 H new ATOM 531 N LEU A 31 -11.287 4.242 6.647 1.00 0.00 N ATOM 532 CA LEU A 31 -11.374 3.371 7.863 1.00 0.00 C ATOM 533 C LEU A 31 -12.702 2.552 8.055 1.00 0.00 C ATOM 534 O LEU A 31 -12.637 1.358 8.354 1.00 0.00 O ATOM 535 CB LEU A 31 -10.997 4.267 9.077 1.00 0.00 C ATOM 536 CG LEU A 31 -10.836 3.555 10.452 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.517 3.947 11.137 1.00 0.00 C ATOM 538 CD2 LEU A 31 -12.023 3.861 11.383 1.00 0.00 C ATOM 0 H LEU A 31 -10.991 5.195 6.856 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.670 2.547 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.061 4.775 8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.761 5.037 9.181 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.817 2.483 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.437 3.432 12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.678 3.663 10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.499 5.024 11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.880 3.349 12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.083 4.936 11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.947 3.515 10.920 1.00 0.00 H new ATOM 550 N GLN A 32 -13.876 3.161 7.830 1.00 0.00 N ATOM 551 CA GLN A 32 -15.192 2.455 7.788 1.00 0.00 C ATOM 552 C GLN A 32 -15.396 1.383 6.653 1.00 0.00 C ATOM 553 O GLN A 32 -16.125 0.407 6.864 1.00 0.00 O ATOM 554 CB GLN A 32 -16.261 3.574 7.683 1.00 0.00 C ATOM 555 CG GLN A 32 -16.443 4.475 8.937 1.00 0.00 C ATOM 556 CD GLN A 32 -17.119 5.832 8.690 1.00 0.00 C ATOM 557 OE1 GLN A 32 -17.393 6.272 7.576 1.00 0.00 O ATOM 558 NE2 GLN A 32 -17.367 6.561 9.751 1.00 0.00 N ATOM 0 H GLN A 32 -13.953 4.165 7.669 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.266 1.847 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.005 4.213 6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.220 3.110 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.030 3.926 9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.463 4.653 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.143 6.203 10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.784 7.486 9.648 1.00 0.00 H new ATOM 567 N GLU A 33 -14.780 1.539 5.465 1.00 0.00 N ATOM 568 CA GLU A 33 -14.668 0.441 4.460 1.00 0.00 C ATOM 569 C GLU A 33 -13.505 -0.578 4.714 1.00 0.00 C ATOM 570 O GLU A 33 -13.711 -1.787 4.580 1.00 0.00 O ATOM 571 CB GLU A 33 -14.652 1.070 3.041 1.00 0.00 C ATOM 572 CG GLU A 33 -14.887 0.079 1.865 1.00 0.00 C ATOM 573 CD GLU A 33 -16.157 -0.765 1.952 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.265 -0.197 2.059 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.054 -2.005 1.993 1.00 0.00 O ATOM 0 H GLU A 33 -14.348 2.414 5.169 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.547 -0.195 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.417 1.845 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.691 1.562 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.914 0.647 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.030 -0.592 1.804 1.00 0.00 H new ATOM 582 N LEU A 34 -12.309 -0.124 5.131 1.00 0.00 N ATOM 583 CA LEU A 34 -11.231 -1.005 5.669 1.00 0.00 C ATOM 584 C LEU A 34 -11.658 -1.943 6.853 1.00 0.00 C ATOM 585 O LEU A 34 -11.332 -3.130 6.807 1.00 0.00 O ATOM 586 CB LEU A 34 -9.996 -0.130 6.027 1.00 0.00 C ATOM 587 CG LEU A 34 -9.283 0.624 4.866 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.307 1.674 5.429 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.585 -0.328 3.879 1.00 0.00 C ATOM 0 H LEU A 34 -12.053 0.863 5.109 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.977 -1.710 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.311 0.609 6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.260 -0.771 6.513 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.053 1.139 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.816 2.193 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.857 2.394 6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.556 1.179 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.105 0.253 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.833 -0.913 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.322 -0.999 3.438 1.00 0.00 H new ATOM 601 N GLU A 35 -12.448 -1.472 7.844 1.00 0.00 N ATOM 602 CA GLU A 35 -13.158 -2.362 8.815 1.00 0.00 C ATOM 603 C GLU A 35 -14.082 -3.475 8.191 1.00 0.00 C ATOM 604 O GLU A 35 -14.046 -4.628 8.628 1.00 0.00 O ATOM 605 CB GLU A 35 -13.808 -1.504 9.948 1.00 0.00 C ATOM 606 CG GLU A 35 -15.312 -1.128 9.881 1.00 0.00 C ATOM 607 CD GLU A 35 -15.906 -0.653 11.199 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.383 0.287 11.831 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.905 -1.259 11.639 1.00 0.00 O ATOM 0 H GLU A 35 -12.616 -0.478 8.000 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.397 -2.992 9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.650 -2.036 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.245 -0.573 10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.444 -0.345 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.875 -1.995 9.536 1.00 0.00 H new ATOM 616 N LYS A 36 -14.857 -3.146 7.139 1.00 0.00 N ATOM 617 CA LYS A 36 -15.623 -4.140 6.332 1.00 0.00 C ATOM 618 C LYS A 36 -14.739 -5.194 5.566 1.00 0.00 C ATOM 619 O LYS A 36 -15.035 -6.388 5.640 1.00 0.00 O ATOM 620 CB LYS A 36 -16.587 -3.328 5.421 1.00 0.00 C ATOM 621 CG LYS A 36 -17.823 -4.097 4.898 1.00 0.00 C ATOM 622 CD LYS A 36 -18.648 -3.362 3.812 1.00 0.00 C ATOM 623 CE LYS A 36 -19.396 -2.063 4.197 1.00 0.00 C ATOM 624 NZ LYS A 36 -18.499 -0.872 4.253 1.00 0.00 N ATOM 0 H LYS A 36 -14.975 -2.185 6.818 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.192 -4.789 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.933 -2.456 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.023 -2.958 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.491 -5.053 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.477 -4.317 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.973 -3.123 2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.385 -4.065 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -20.191 -1.879 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.873 -2.198 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.994 -0.087 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.640 -1.109 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.237 -0.589 3.287 1.00 0.00 H new ATOM 638 N ALA A 37 -13.646 -4.776 4.893 1.00 0.00 N ATOM 639 CA ALA A 37 -12.588 -5.699 4.381 1.00 0.00 C ATOM 640 C ALA A 37 -11.830 -6.577 5.440 1.00 0.00 C ATOM 641 O ALA A 37 -11.643 -7.775 5.215 1.00 0.00 O ATOM 642 CB ALA A 37 -11.615 -4.832 3.559 1.00 0.00 C ATOM 0 H ALA A 37 -13.464 -3.794 4.685 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.088 -6.464 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.818 -5.459 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.153 -4.361 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.184 -4.062 4.199 1.00 0.00 H new ATOM 648 N LEU A 38 -11.437 -6.008 6.597 1.00 0.00 N ATOM 649 CA LEU A 38 -10.995 -6.778 7.799 1.00 0.00 C ATOM 650 C LEU A 38 -12.033 -7.838 8.321 1.00 0.00 C ATOM 651 O LEU A 38 -11.688 -9.015 8.449 1.00 0.00 O ATOM 652 CB LEU A 38 -10.576 -5.747 8.896 1.00 0.00 C ATOM 653 CG LEU A 38 -9.100 -5.255 8.977 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.207 -6.303 9.654 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.463 -4.811 7.647 1.00 0.00 C ATOM 0 H LEU A 38 -11.414 -4.998 6.735 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.144 -7.398 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.205 -4.866 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.826 -6.183 9.863 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.161 -4.350 9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.182 -5.934 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.568 -6.491 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.235 -7.230 9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.437 -4.489 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.466 -5.646 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.035 -3.983 7.228 1.00 0.00 H new ATOM 667 N ALA A 39 -13.296 -7.453 8.589 1.00 0.00 N ATOM 668 CA ALA A 39 -14.358 -8.409 9.006 1.00 0.00 C ATOM 669 C ALA A 39 -14.838 -9.471 7.961 1.00 0.00 C ATOM 670 O ALA A 39 -15.141 -10.600 8.357 1.00 0.00 O ATOM 671 CB ALA A 39 -15.524 -7.557 9.541 1.00 0.00 C ATOM 0 H ALA A 39 -13.613 -6.486 8.526 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.917 -9.060 9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.335 -8.211 9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.181 -6.961 10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.883 -6.895 8.753 1.00 0.00 H new ATOM 677 N ARG A 40 -14.887 -9.165 6.647 1.00 0.00 N ATOM 678 CA ARG A 40 -15.200 -10.171 5.588 1.00 0.00 C ATOM 679 C ARG A 40 -13.967 -11.079 5.238 1.00 0.00 C ATOM 680 O ARG A 40 -13.361 -10.966 4.169 1.00 0.00 O ATOM 681 CB ARG A 40 -15.772 -9.419 4.352 1.00 0.00 C ATOM 682 CG ARG A 40 -17.198 -8.836 4.516 1.00 0.00 C ATOM 683 CD ARG A 40 -17.655 -8.096 3.247 1.00 0.00 C ATOM 684 NE ARG A 40 -19.082 -7.692 3.376 1.00 0.00 N ATOM 685 CZ ARG A 40 -19.792 -7.078 2.429 1.00 0.00 C ATOM 686 NH1 ARG A 40 -19.284 -6.672 1.290 1.00 0.00 N ATOM 687 NH2 ARG A 40 -21.057 -6.867 2.647 1.00 0.00 N ATOM 0 H ARG A 40 -14.714 -8.227 6.285 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.953 -10.866 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.094 -8.604 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.775 -10.104 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.898 -9.641 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.217 -8.152 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.033 -7.216 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.528 -8.739 2.376 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.553 -7.901 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.295 -6.821 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.878 -6.207 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.481 -7.169 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.625 -6.399 1.941 1.00 0.00 H new ATOM 701 N ALA A 41 -13.622 -11.999 6.164 1.00 0.00 N ATOM 702 CA ALA A 41 -12.419 -12.881 6.073 1.00 0.00 C ATOM 703 C ALA A 41 -11.035 -12.187 5.803 1.00 0.00 C ATOM 704 O ALA A 41 -10.297 -12.562 4.883 1.00 0.00 O ATOM 705 CB ALA A 41 -12.748 -14.064 5.135 1.00 0.00 C ATOM 0 H ALA A 41 -14.171 -12.159 7.008 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.227 -13.254 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.880 -14.719 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.591 -14.625 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.006 -13.684 4.147 1.00 0.00 H new ATOM 711 N GLY A 42 -10.652 -11.204 6.643 1.00 0.00 N ATOM 712 CA GLY A 42 -9.400 -10.429 6.439 1.00 0.00 C ATOM 713 C GLY A 42 -8.101 -11.080 6.956 1.00 0.00 C ATOM 714 O GLY A 42 -7.533 -10.607 7.943 1.00 0.00 O ATOM 0 H GLY A 42 -11.185 -10.925 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.286 -10.238 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.514 -9.460 6.925 1.00 0.00 H new ATOM 718 N ALA A 43 -7.633 -12.117 6.239 1.00 0.00 N ATOM 719 CA ALA A 43 -6.282 -12.732 6.394 1.00 0.00 C ATOM 720 C ALA A 43 -5.870 -13.370 7.767 1.00 0.00 C ATOM 721 O ALA A 43 -6.343 -12.999 8.844 1.00 0.00 O ATOM 722 CB ALA A 43 -5.214 -11.738 5.884 1.00 0.00 C ATOM 0 H ALA A 43 -8.190 -12.570 5.514 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.349 -13.632 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.224 -12.180 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.397 -11.515 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.267 -10.817 6.465 1.00 0.00 H new ATOM 728 N ARG A 44 -4.891 -14.297 7.715 1.00 0.00 N ATOM 729 CA ARG A 44 -4.071 -14.659 8.914 1.00 0.00 C ATOM 730 C ARG A 44 -2.871 -13.700 9.252 1.00 0.00 C ATOM 731 O ARG A 44 -2.318 -13.831 10.346 1.00 0.00 O ATOM 732 CB ARG A 44 -3.596 -16.134 8.811 1.00 0.00 C ATOM 733 CG ARG A 44 -4.717 -17.202 8.816 1.00 0.00 C ATOM 734 CD ARG A 44 -4.158 -18.627 8.974 1.00 0.00 C ATOM 735 NE ARG A 44 -5.243 -19.644 8.922 1.00 0.00 N ATOM 736 CZ ARG A 44 -5.956 -20.079 9.965 1.00 0.00 C ATOM 737 NH1 ARG A 44 -5.867 -19.579 11.175 1.00 0.00 N ATOM 738 NH2 ARG A 44 -6.794 -21.055 9.767 1.00 0.00 N ATOM 0 H ARG A 44 -4.642 -14.810 6.869 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.747 -14.532 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.016 -16.247 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.921 -16.338 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.412 -16.993 9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.284 -17.136 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.433 -18.825 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.626 -18.708 9.922 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.462 -20.044 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.223 -18.810 11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.442 -19.959 11.927 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.891 -21.464 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.354 -21.411 10.541 1.00 0.00 H new ATOM 752 N ASN A 45 -2.472 -12.761 8.371 1.00 0.00 N ATOM 753 CA ASN A 45 -1.529 -11.652 8.693 1.00 0.00 C ATOM 754 C ASN A 45 -2.080 -10.329 8.071 1.00 0.00 C ATOM 755 O ASN A 45 -2.311 -10.258 6.861 1.00 0.00 O ATOM 756 CB ASN A 45 -0.118 -11.946 8.105 1.00 0.00 C ATOM 757 CG ASN A 45 0.746 -12.959 8.854 1.00 0.00 C ATOM 758 OD1 ASN A 45 1.491 -12.622 9.766 1.00 0.00 O ATOM 759 ND2 ASN A 45 0.714 -14.215 8.481 1.00 0.00 N ATOM 0 H ASN A 45 -2.794 -12.744 7.403 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.443 -11.558 9.776 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.244 -12.299 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.430 -11.005 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.306 -14.901 8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.097 -14.506 7.723 1.00 0.00 H new ATOM 766 N VAL A 46 -2.260 -9.268 8.875 1.00 0.00 N ATOM 767 CA VAL A 46 -2.659 -7.921 8.358 1.00 0.00 C ATOM 768 C VAL A 46 -1.653 -6.876 8.925 1.00 0.00 C ATOM 769 O VAL A 46 -1.633 -6.621 10.134 1.00 0.00 O ATOM 770 CB VAL A 46 -4.143 -7.538 8.679 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.558 -6.192 8.033 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.178 -8.588 8.227 1.00 0.00 C ATOM 0 H VAL A 46 -2.139 -9.303 9.887 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.617 -7.940 7.269 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.153 -7.470 9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.595 -5.972 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.916 -5.395 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.455 -6.261 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.180 -8.246 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.109 -8.725 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.977 -9.536 8.727 1.00 0.00 H new ATOM 782 N GLN A 47 -0.864 -6.236 8.048 1.00 0.00 N ATOM 783 CA GLN A 47 0.077 -5.152 8.444 1.00 0.00 C ATOM 784 C GLN A 47 -0.586 -3.748 8.259 1.00 0.00 C ATOM 785 O GLN A 47 -0.665 -3.227 7.141 1.00 0.00 O ATOM 786 CB GLN A 47 1.396 -5.304 7.636 1.00 0.00 C ATOM 787 CG GLN A 47 2.297 -6.488 8.074 1.00 0.00 C ATOM 788 CD GLN A 47 3.613 -6.641 7.302 1.00 0.00 C ATOM 789 OE1 GLN A 47 3.774 -6.257 6.148 1.00 0.00 O ATOM 790 NE2 GLN A 47 4.606 -7.232 7.922 1.00 0.00 N ATOM 0 H GLN A 47 -0.852 -6.446 7.050 1.00 0.00 H new ATOM 0 HA GLN A 47 0.320 -5.237 9.503 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.147 -5.426 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.967 -4.380 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.529 -6.372 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.727 -7.412 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.487 -7.557 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.497 -7.367 7.445 1.00 0.00 H new ATOM 799 N ILE A 48 -1.036 -3.127 9.367 1.00 0.00 N ATOM 800 CA ILE A 48 -1.585 -1.736 9.366 1.00 0.00 C ATOM 801 C ILE A 48 -0.396 -0.774 9.684 1.00 0.00 C ATOM 802 O ILE A 48 0.040 -0.690 10.835 1.00 0.00 O ATOM 803 CB ILE A 48 -2.781 -1.574 10.384 1.00 0.00 C ATOM 804 CG1 ILE A 48 -4.009 -2.498 10.114 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.288 -0.109 10.479 1.00 0.00 C ATOM 806 CD1 ILE A 48 -3.944 -3.856 10.835 1.00 0.00 C ATOM 0 H ILE A 48 -1.034 -3.564 10.289 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.010 -1.493 8.392 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.336 -1.884 11.329 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.916 -1.978 10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.090 -2.672 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.110 -0.054 11.192 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.475 0.536 10.812 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.635 0.220 9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.834 -4.438 10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.057 -4.399 10.509 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.895 -3.694 11.912 1.00 0.00 H new ATOM 818 N THR A 49 0.126 -0.048 8.681 1.00 0.00 N ATOM 819 CA THR A 49 1.216 0.950 8.887 1.00 0.00 C ATOM 820 C THR A 49 0.694 2.368 8.524 1.00 0.00 C ATOM 821 O THR A 49 0.511 2.678 7.345 1.00 0.00 O ATOM 822 CB THR A 49 2.507 0.532 8.125 1.00 0.00 C ATOM 823 OG1 THR A 49 2.826 -0.822 8.420 1.00 0.00 O ATOM 824 CG2 THR A 49 3.734 1.375 8.506 1.00 0.00 C ATOM 0 H THR A 49 -0.184 -0.126 7.712 1.00 0.00 H new ATOM 0 HA THR A 49 1.505 0.980 9.938 1.00 0.00 H new ATOM 0 HB THR A 49 2.291 0.683 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.638 -1.080 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.600 1.033 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.541 2.423 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.932 1.268 9.572 1.00 0.00 H new ATOM 832 N ILE A 50 0.454 3.232 9.526 1.00 0.00 N ATOM 833 CA ILE A 50 0.011 4.640 9.283 1.00 0.00 C ATOM 834 C ILE A 50 1.143 5.647 9.675 1.00 0.00 C ATOM 835 O ILE A 50 1.553 5.714 10.838 1.00 0.00 O ATOM 836 CB ILE A 50 -1.415 4.929 9.872 1.00 0.00 C ATOM 837 CG1 ILE A 50 -2.033 6.236 9.295 1.00 0.00 C ATOM 838 CG2 ILE A 50 -1.476 4.916 11.417 1.00 0.00 C ATOM 839 CD1 ILE A 50 -3.540 6.429 9.552 1.00 0.00 C ATOM 0 H ILE A 50 0.555 2.993 10.512 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.140 4.794 8.214 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.027 4.089 9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.499 7.087 9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.861 6.254 8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.495 5.124 11.743 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.170 3.937 11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.805 5.678 11.814 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.867 7.369 9.108 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.094 5.604 9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.726 6.450 10.626 1.00 0.00 H new ATOM 851 N SER A 51 1.647 6.437 8.707 1.00 0.00 N ATOM 852 CA SER A 51 2.649 7.499 8.993 1.00 0.00 C ATOM 853 C SER A 51 1.963 8.823 9.447 1.00 0.00 C ATOM 854 O SER A 51 1.261 9.479 8.669 1.00 0.00 O ATOM 855 CB SER A 51 3.561 7.716 7.767 1.00 0.00 C ATOM 856 OG SER A 51 4.677 8.543 8.107 1.00 0.00 O ATOM 0 H SER A 51 1.383 6.366 7.724 1.00 0.00 H new ATOM 0 HA SER A 51 3.273 7.169 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.915 6.754 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.991 8.179 6.961 1.00 0.00 H new ATOM 0 HG SER A 51 5.244 8.668 7.318 1.00 0.00 H new ATOM 862 N ALA A 52 2.210 9.210 10.707 1.00 0.00 N ATOM 863 CA ALA A 52 1.828 10.542 11.237 1.00 0.00 C ATOM 864 C ALA A 52 2.809 11.694 10.848 1.00 0.00 C ATOM 865 O ALA A 52 3.970 11.473 10.484 1.00 0.00 O ATOM 866 CB ALA A 52 1.795 10.358 12.767 1.00 0.00 C ATOM 0 H ALA A 52 2.678 8.616 11.391 1.00 0.00 H new ATOM 0 HA ALA A 52 0.874 10.851 10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.520 11.300 13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.062 9.594 13.026 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.780 10.050 13.118 1.00 0.00 H new ATOM 872 N GLU A 53 2.338 12.942 11.003 1.00 0.00 N ATOM 873 CA GLU A 53 3.218 14.146 11.023 1.00 0.00 C ATOM 874 C GLU A 53 4.007 14.374 12.361 1.00 0.00 C ATOM 875 O GLU A 53 5.232 14.523 12.316 1.00 0.00 O ATOM 876 CB GLU A 53 2.427 15.371 10.484 1.00 0.00 C ATOM 877 CG GLU A 53 1.118 15.841 11.184 1.00 0.00 C ATOM 878 CD GLU A 53 1.275 16.907 12.250 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.629 18.054 11.913 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.019 16.604 13.435 1.00 0.00 O ATOM 0 H GLU A 53 1.347 13.155 11.118 1.00 0.00 H new ATOM 0 HA GLU A 53 4.048 13.971 10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.112 16.219 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.177 15.159 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.437 16.218 10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.640 14.972 11.636 1.00 0.00 H new ATOM 887 N ASN A 54 3.338 14.372 13.529 1.00 0.00 N ATOM 888 CA ASN A 54 4.001 14.480 14.864 1.00 0.00 C ATOM 889 C ASN A 54 4.036 13.118 15.639 1.00 0.00 C ATOM 890 O ASN A 54 3.193 12.231 15.463 1.00 0.00 O ATOM 891 CB ASN A 54 3.279 15.582 15.700 1.00 0.00 C ATOM 892 CG ASN A 54 3.804 17.005 15.482 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.904 17.356 15.894 1.00 0.00 O ATOM 894 ND2 ASN A 54 3.050 17.876 14.863 1.00 0.00 N ATOM 0 H ASN A 54 2.322 14.296 13.585 1.00 0.00 H new ATOM 0 HA ASN A 54 5.043 14.757 14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.216 15.562 15.460 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.371 15.334 16.757 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.380 18.832 14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.132 17.599 14.514 1.00 0.00 H new ATOM 901 N ASP A 55 5.004 13.007 16.565 1.00 0.00 N ATOM 902 CA ASP A 55 5.126 11.872 17.530 1.00 0.00 C ATOM 903 C ASP A 55 3.882 11.557 18.438 1.00 0.00 C ATOM 904 O ASP A 55 3.415 10.414 18.457 1.00 0.00 O ATOM 905 CB ASP A 55 6.457 12.055 18.318 1.00 0.00 C ATOM 906 CG ASP A 55 6.691 13.342 19.130 1.00 0.00 C ATOM 907 OD1 ASP A 55 5.717 14.049 19.478 1.00 0.00 O ATOM 908 OD2 ASP A 55 7.868 13.646 19.414 1.00 0.00 O ATOM 0 H ASP A 55 5.739 13.706 16.675 1.00 0.00 H new ATOM 0 HA ASP A 55 5.151 10.957 16.938 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.546 11.215 19.006 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.274 11.968 17.602 1.00 0.00 H new ATOM 913 N GLU A 56 3.296 12.547 19.133 1.00 0.00 N ATOM 914 CA GLU A 56 2.002 12.357 19.861 1.00 0.00 C ATOM 915 C GLU A 56 0.730 12.152 18.966 1.00 0.00 C ATOM 916 O GLU A 56 -0.171 11.424 19.391 1.00 0.00 O ATOM 917 CB GLU A 56 1.814 13.456 20.944 1.00 0.00 C ATOM 918 CG GLU A 56 2.664 13.266 22.233 1.00 0.00 C ATOM 919 CD GLU A 56 2.277 12.072 23.108 1.00 0.00 C ATOM 920 OE1 GLU A 56 1.345 12.199 23.929 1.00 0.00 O ATOM 921 OE2 GLU A 56 2.909 11.003 22.978 1.00 0.00 O ATOM 0 H GLU A 56 3.685 13.487 19.214 1.00 0.00 H new ATOM 0 HA GLU A 56 2.094 11.390 20.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.060 14.423 20.505 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.761 13.492 21.224 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.710 13.159 21.945 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.590 14.173 22.833 1.00 0.00 H new ATOM 928 N GLN A 57 0.667 12.666 17.716 1.00 0.00 N ATOM 929 CA GLN A 57 -0.298 12.141 16.695 1.00 0.00 C ATOM 930 C GLN A 57 -0.093 10.636 16.294 1.00 0.00 C ATOM 931 O GLN A 57 -1.086 9.921 16.136 1.00 0.00 O ATOM 932 CB GLN A 57 -0.387 13.056 15.440 1.00 0.00 C ATOM 933 CG GLN A 57 -1.097 14.422 15.668 1.00 0.00 C ATOM 934 CD GLN A 57 -2.017 14.865 14.524 1.00 0.00 C ATOM 935 OE1 GLN A 57 -3.120 14.359 14.344 1.00 0.00 O ATOM 936 NE2 GLN A 57 -1.629 15.807 13.703 1.00 0.00 N ATOM 0 H GLN A 57 1.257 13.429 17.384 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.260 12.168 17.207 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.623 13.245 15.075 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.914 12.517 14.653 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.683 14.363 16.585 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.338 15.189 15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.717 16.247 13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.238 16.101 12.940 1.00 0.00 H new ATOM 945 N ALA A 58 1.152 10.122 16.185 1.00 0.00 N ATOM 946 CA ALA A 58 1.419 8.656 16.184 1.00 0.00 C ATOM 947 C ALA A 58 0.924 7.863 17.444 1.00 0.00 C ATOM 948 O ALA A 58 0.331 6.792 17.285 1.00 0.00 O ATOM 949 CB ALA A 58 2.919 8.445 15.905 1.00 0.00 C ATOM 0 H ALA A 58 1.991 10.695 16.096 1.00 0.00 H new ATOM 0 HA ALA A 58 0.809 8.222 15.392 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.141 7.378 15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.173 8.874 14.936 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.506 8.934 16.683 1.00 0.00 H new ATOM 955 N LYS A 59 1.077 8.395 18.677 1.00 0.00 N ATOM 956 CA LYS A 59 0.335 7.883 19.867 1.00 0.00 C ATOM 957 C LYS A 59 -1.234 7.926 19.752 1.00 0.00 C ATOM 958 O LYS A 59 -1.861 6.894 19.994 1.00 0.00 O ATOM 959 CB LYS A 59 0.863 8.565 21.157 1.00 0.00 C ATOM 960 CG LYS A 59 0.445 7.824 22.451 1.00 0.00 C ATOM 961 CD LYS A 59 0.745 8.643 23.722 1.00 0.00 C ATOM 962 CE LYS A 59 0.301 7.978 25.038 1.00 0.00 C ATOM 963 NZ LYS A 59 -1.187 7.897 25.142 1.00 0.00 N ATOM 0 H LYS A 59 1.702 9.175 18.881 1.00 0.00 H new ATOM 0 HA LYS A 59 0.546 6.815 19.918 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.951 8.620 21.112 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.493 9.590 21.197 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.621 7.600 22.410 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.969 6.870 22.505 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.817 8.832 23.771 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.254 9.612 23.637 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.725 6.976 25.100 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.694 8.544 25.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.451 7.570 26.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.599 8.837 24.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.549 7.228 24.433 1.00 0.00 H new ATOM 977 N GLU A 60 -1.869 9.049 19.357 1.00 0.00 N ATOM 978 CA GLU A 60 -3.334 9.093 19.035 1.00 0.00 C ATOM 979 C GLU A 60 -3.827 8.059 17.959 1.00 0.00 C ATOM 980 O GLU A 60 -4.838 7.383 18.171 1.00 0.00 O ATOM 981 CB GLU A 60 -3.749 10.533 18.628 1.00 0.00 C ATOM 982 CG GLU A 60 -3.642 11.621 19.727 1.00 0.00 C ATOM 983 CD GLU A 60 -4.135 12.984 19.270 1.00 0.00 C ATOM 984 OE1 GLU A 60 -3.366 13.709 18.602 1.00 0.00 O ATOM 985 OE2 GLU A 60 -5.291 13.336 19.585 1.00 0.00 O ATOM 0 H GLU A 60 -1.399 9.948 19.249 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.832 8.791 19.957 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.132 10.840 17.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.780 10.504 18.276 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.218 11.307 20.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.603 11.706 20.046 1.00 0.00 H new ATOM 992 N LEU A 61 -3.097 7.896 16.839 1.00 0.00 N ATOM 993 CA LEU A 61 -3.325 6.788 15.866 1.00 0.00 C ATOM 994 C LEU A 61 -3.094 5.332 16.411 1.00 0.00 C ATOM 995 O LEU A 61 -3.868 4.443 16.050 1.00 0.00 O ATOM 996 CB LEU A 61 -2.512 7.081 14.573 1.00 0.00 C ATOM 997 CG LEU A 61 -2.919 8.334 13.745 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.920 8.568 12.602 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.346 8.242 13.172 1.00 0.00 C ATOM 0 H LEU A 61 -2.334 8.520 16.576 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.393 6.782 15.649 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.463 7.185 14.850 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.585 6.209 13.923 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.902 9.177 14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.219 9.448 12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.924 8.724 13.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.908 7.698 11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.569 9.146 12.605 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.419 7.375 12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.060 8.140 13.989 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.118 5.081 17.313 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.108 3.868 18.193 1.00 0.00 C ATOM 1013 C LEU A 62 -3.406 3.658 19.048 1.00 0.00 C ATOM 1014 O LEU A 62 -4.014 2.590 18.929 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.785 3.865 19.021 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.608 2.803 20.146 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.596 1.356 19.631 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.674 3.070 20.950 1.00 0.00 C ATOM 0 H LEU A 62 -1.320 5.699 17.458 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.126 2.986 17.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.042 3.746 18.321 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.678 4.850 19.476 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.483 2.907 20.788 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.469 0.672 20.470 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.538 1.141 19.127 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.228 1.226 18.930 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.778 2.316 21.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.537 3.025 20.285 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.619 4.059 21.406 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.853 4.650 19.849 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.173 4.596 20.559 1.00 0.00 C ATOM 1032 C GLU A 63 -6.414 4.296 19.626 1.00 0.00 C ATOM 1033 O GLU A 63 -7.229 3.419 19.927 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.440 5.885 21.401 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.337 6.510 22.304 1.00 0.00 C ATOM 1036 CD GLU A 63 -3.634 5.675 23.368 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -4.171 4.646 23.826 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -2.531 6.099 23.789 1.00 0.00 O ATOM 0 H GLU A 63 -3.326 5.505 20.027 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.077 3.741 21.228 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.754 6.660 20.702 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.293 5.672 22.045 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.565 6.901 21.642 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.785 7.365 22.811 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.524 5.000 18.478 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.551 4.746 17.427 1.00 0.00 C ATOM 1047 C LEU A 64 -7.486 3.322 16.768 1.00 0.00 C ATOM 1048 O LEU A 64 -8.498 2.613 16.771 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.472 5.934 16.419 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.723 6.249 15.559 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -8.554 7.613 14.861 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -9.033 5.194 14.484 1.00 0.00 C ATOM 0 H LEU A 64 -5.898 5.771 18.246 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.540 4.714 17.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.220 6.833 16.982 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.641 5.740 15.740 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.560 6.254 16.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.438 7.826 14.259 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.430 8.393 15.612 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.675 7.586 14.217 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.922 5.491 13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.188 5.112 13.800 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.208 4.230 14.961 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.326 2.881 16.233 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.149 1.494 15.684 1.00 0.00 C ATOM 1066 C ILE A 65 -6.374 0.366 16.756 1.00 0.00 C ATOM 1067 O ILE A 65 -7.110 -0.578 16.462 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.797 1.358 14.889 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.733 2.248 13.614 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.489 -0.107 14.466 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.309 2.480 13.074 1.00 0.00 C ATOM 0 H ILE A 65 -5.488 3.459 16.164 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.948 1.334 14.960 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.046 1.702 15.600 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.335 1.786 12.832 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.187 3.214 13.836 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.545 -0.138 13.922 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.416 -0.735 15.354 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.289 -0.477 13.825 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.355 3.110 12.185 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.706 2.973 13.837 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.857 1.522 12.817 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.792 0.446 17.972 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.125 -0.487 19.088 1.00 0.00 C ATOM 1085 C ALA A 66 -7.650 -0.636 19.437 1.00 0.00 C ATOM 1086 O ALA A 66 -8.142 -1.766 19.516 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.282 -0.047 20.299 1.00 0.00 C ATOM 0 H ALA A 66 -5.089 1.144 18.213 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.878 -1.498 18.765 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.491 -0.702 21.145 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.223 -0.107 20.046 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.534 0.980 20.564 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.406 0.478 19.543 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.902 0.462 19.538 1.00 0.00 C ATOM 1095 C ARG A 67 -10.579 -0.229 18.300 1.00 0.00 C ATOM 1096 O ARG A 67 -11.481 -1.047 18.497 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.420 1.919 19.713 1.00 0.00 C ATOM 1098 CG ARG A 67 -10.235 2.544 21.122 1.00 0.00 C ATOM 1099 CD ARG A 67 -10.505 4.061 21.180 1.00 0.00 C ATOM 1100 NE ARG A 67 -11.947 4.378 20.962 1.00 0.00 N ATOM 1101 CZ ARG A 67 -12.443 5.598 20.759 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -11.712 6.687 20.753 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -13.723 5.717 20.558 1.00 0.00 N ATOM 0 H ARG A 67 -8.009 1.413 19.634 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.196 -0.170 20.376 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.912 2.553 18.987 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.481 1.938 19.466 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.902 2.040 21.821 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.216 2.354 21.461 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.190 4.449 22.149 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.904 4.566 20.424 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.605 3.599 20.969 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.706 6.627 20.910 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.150 7.594 20.592 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.319 4.889 20.559 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.131 6.638 20.400 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.155 0.058 17.049 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.632 -0.669 15.834 1.00 0.00 C ATOM 1119 C LEU A 68 -10.378 -2.217 15.832 1.00 0.00 C ATOM 1120 O LEU A 68 -11.317 -2.992 15.639 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.000 0.037 14.599 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.566 -0.385 13.216 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.990 0.155 13.000 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.643 0.077 12.078 1.00 0.00 C ATOM 0 H LEU A 68 -9.478 0.793 16.846 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.720 -0.612 15.811 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.133 1.113 14.712 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.927 -0.154 14.605 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.613 -1.474 13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.354 -0.160 12.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.649 -0.236 13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.978 1.244 13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.063 -0.232 11.121 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.552 1.163 12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.658 -0.372 12.204 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.131 -2.655 16.063 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.745 -4.096 16.173 1.00 0.00 C ATOM 1138 C LEU A 69 -9.434 -4.887 17.339 1.00 0.00 C ATOM 1139 O LEU A 69 -9.885 -6.015 17.123 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.199 -4.156 16.281 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.387 -3.528 15.113 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.918 -3.436 15.530 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.565 -4.257 13.772 1.00 0.00 C ATOM 0 H LEU A 69 -8.341 -2.020 16.182 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.107 -4.604 15.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.904 -3.659 17.205 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.906 -5.202 16.374 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.781 -2.528 14.928 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.336 -2.997 14.719 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.831 -2.811 16.419 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.539 -4.434 15.749 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.968 -3.761 13.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.237 -5.292 13.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.616 -4.236 13.483 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.566 -4.283 18.541 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.486 -4.763 19.611 1.00 0.00 C ATOM 1157 C GLN A 70 -12.000 -4.859 19.196 1.00 0.00 C ATOM 1158 O GLN A 70 -12.602 -5.917 19.391 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.239 -3.837 20.836 1.00 0.00 C ATOM 1160 CG GLN A 70 -10.930 -4.272 22.150 1.00 0.00 C ATOM 1161 CD GLN A 70 -10.737 -3.273 23.295 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -11.431 -2.269 23.402 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -9.799 -3.502 24.182 1.00 0.00 N ATOM 0 H GLN A 70 -9.040 -3.449 18.802 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.259 -5.803 19.847 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.165 -3.777 21.013 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.577 -2.832 20.584 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.997 -4.402 21.966 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.539 -5.243 22.454 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.215 -4.335 24.103 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.653 -2.848 24.951 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.599 -3.803 18.599 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.966 -3.861 17.990 1.00 0.00 C ATOM 1174 C LYS A 71 -14.183 -4.955 16.881 1.00 0.00 C ATOM 1175 O LYS A 71 -15.209 -5.640 16.894 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.299 -2.426 17.484 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.783 -2.177 17.118 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.045 -0.808 16.440 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.833 -0.767 14.910 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.935 -1.469 14.201 1.00 0.00 N ATOM 0 H LYS A 71 -12.158 -2.886 18.521 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.661 -4.189 18.763 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.008 -1.711 18.254 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.686 -2.217 16.607 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.120 -2.971 16.452 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.386 -2.243 18.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.071 -0.507 16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.392 -0.065 16.899 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.781 0.269 14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.880 -1.232 14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.158 -0.964 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.640 -2.441 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.778 -1.494 14.809 1.00 0.00 H new ATOM 1194 N LEU A 72 -13.231 -5.125 15.948 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.203 -6.266 14.986 1.00 0.00 C ATOM 1196 C LEU A 72 -13.010 -7.705 15.591 1.00 0.00 C ATOM 1197 O LEU A 72 -13.530 -8.667 15.021 1.00 0.00 O ATOM 1198 CB LEU A 72 -12.074 -5.972 13.954 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.286 -4.790 12.970 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -10.944 -4.357 12.360 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.274 -5.163 11.854 1.00 0.00 C ATOM 0 H LEU A 72 -12.451 -4.478 15.830 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.199 -6.312 14.546 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.154 -5.787 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.915 -6.875 13.364 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.709 -3.958 13.534 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.108 -3.528 11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.268 -4.041 13.155 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.503 -5.195 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.401 -4.314 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.886 -6.014 11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.237 -5.425 12.293 1.00 0.00 H new ATOM 1213 N GLY A 73 -12.247 -7.862 16.689 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.916 -9.189 17.283 1.00 0.00 C ATOM 1215 C GLY A 73 -10.558 -9.838 16.909 1.00 0.00 C ATOM 1216 O GLY A 73 -10.463 -11.068 16.900 1.00 0.00 O ATOM 0 H GLY A 73 -11.838 -7.077 17.196 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.949 -9.086 18.368 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.707 -9.886 17.004 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.504 -9.043 16.661 1.00 0.00 N ATOM 1221 CA TYR A 74 -8.161 -9.558 16.274 1.00 0.00 C ATOM 1222 C TYR A 74 -7.238 -9.627 17.532 1.00 0.00 C ATOM 1223 O TYR A 74 -6.848 -8.601 18.098 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.584 -8.656 15.147 1.00 0.00 C ATOM 1225 CG TYR A 74 -8.041 -9.017 13.718 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -9.266 -8.559 13.231 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -7.210 -9.776 12.880 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -9.657 -8.841 11.922 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -7.588 -10.030 11.561 1.00 0.00 C ATOM 1230 CZ TYR A 74 -8.807 -9.566 11.086 1.00 0.00 C ATOM 1231 OH TYR A 74 -9.169 -9.781 9.783 1.00 0.00 O ATOM 0 H TYR A 74 -9.549 -8.026 16.720 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.231 -10.573 15.882 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.865 -7.623 15.351 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.496 -8.704 15.186 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.916 -7.982 13.872 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.275 -10.165 13.257 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.614 -8.499 11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.932 -10.588 10.909 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.394 -10.103 9.277 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.924 -10.854 17.983 1.00 0.00 N ATOM 1242 CA LYS A 75 -6.340 -11.093 19.339 1.00 0.00 C ATOM 1243 C LYS A 75 -4.788 -10.951 19.460 1.00 0.00 C ATOM 1244 O LYS A 75 -4.323 -10.358 20.438 1.00 0.00 O ATOM 1245 CB LYS A 75 -6.836 -12.471 19.863 1.00 0.00 C ATOM 1246 CG LYS A 75 -8.365 -12.580 20.101 1.00 0.00 C ATOM 1247 CD LYS A 75 -8.782 -13.951 20.671 1.00 0.00 C ATOM 1248 CE LYS A 75 -10.308 -14.068 20.856 1.00 0.00 C ATOM 1249 NZ LYS A 75 -10.644 -15.413 21.399 1.00 0.00 N ATOM 0 H LYS A 75 -7.061 -11.704 17.437 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.703 -10.281 19.969 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.541 -13.240 19.149 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.323 -12.691 20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.678 -11.795 20.789 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.888 -12.408 19.160 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.438 -14.740 20.002 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.289 -14.108 21.630 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.663 -13.292 21.534 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.813 -13.913 19.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.674 -15.490 21.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.319 -16.146 20.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.174 -15.544 22.317 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.990 -11.486 18.513 1.00 0.00 N ATOM 1264 CA ASP A 76 -2.521 -11.254 18.472 1.00 0.00 C ATOM 1265 C ASP A 76 -2.223 -9.873 17.797 1.00 0.00 C ATOM 1266 O ASP A 76 -2.583 -9.653 16.635 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.889 -12.469 17.746 1.00 0.00 C ATOM 1268 CG ASP A 76 -0.367 -12.419 17.638 1.00 0.00 C ATOM 1269 OD1 ASP A 76 0.141 -11.604 16.841 1.00 0.00 O ATOM 1270 OD2 ASP A 76 0.337 -13.182 18.323 1.00 0.00 O ATOM 0 H ASP A 76 -4.334 -12.084 17.762 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.077 -11.188 19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.174 -13.380 18.273 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.310 -12.536 16.743 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.602 -8.947 18.551 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.423 -7.527 18.121 1.00 0.00 C ATOM 1277 C ILE A 77 0.098 -7.159 18.291 1.00 0.00 C ATOM 1278 O ILE A 77 0.572 -6.918 19.405 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.411 -6.569 18.899 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.927 -6.962 18.842 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.264 -5.108 18.404 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.870 -6.237 19.823 1.00 0.00 C ATOM 0 H ILE A 77 -1.209 -9.149 19.470 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.685 -7.396 17.071 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.107 -6.675 19.940 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.287 -6.782 17.829 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.007 -8.034 19.023 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.953 -4.467 18.953 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.242 -4.769 18.571 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.493 -5.060 17.340 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.889 -6.598 19.683 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.552 -6.435 20.847 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.836 -5.164 19.634 1.00 0.00 H new ATOM 1294 N ASN A 78 0.853 -7.088 17.180 1.00 0.00 N ATOM 1295 CA ASN A 78 2.316 -6.797 17.177 1.00 0.00 C ATOM 1296 C ASN A 78 2.585 -5.283 16.875 1.00 0.00 C ATOM 1297 O ASN A 78 2.495 -4.833 15.728 1.00 0.00 O ATOM 1298 CB ASN A 78 2.924 -7.783 16.136 1.00 0.00 C ATOM 1299 CG ASN A 78 4.444 -7.751 15.948 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.218 -7.519 16.870 1.00 0.00 O ATOM 1301 ND2 ASN A 78 4.944 -8.019 14.763 1.00 0.00 N ATOM 0 H ASN A 78 0.470 -7.231 16.245 1.00 0.00 H new ATOM 0 HA ASN A 78 2.789 -6.953 18.147 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.640 -8.795 16.423 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.460 -7.584 15.170 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.955 -8.031 14.627 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.321 -8.216 13.979 1.00 0.00 H new ATOM 1308 N VAL A 79 2.916 -4.502 17.919 1.00 0.00 N ATOM 1309 CA VAL A 79 3.017 -3.010 17.833 1.00 0.00 C ATOM 1310 C VAL A 79 4.505 -2.559 17.631 1.00 0.00 C ATOM 1311 O VAL A 79 5.366 -2.805 18.483 1.00 0.00 O ATOM 1312 CB VAL A 79 2.374 -2.348 19.110 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.452 -0.800 19.117 1.00 0.00 C ATOM 1314 CG2 VAL A 79 0.887 -2.713 19.339 1.00 0.00 C ATOM 0 H VAL A 79 3.122 -4.872 18.847 1.00 0.00 H new ATOM 0 HA VAL A 79 2.458 -2.670 16.961 1.00 0.00 H new ATOM 0 HB VAL A 79 2.985 -2.765 19.911 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.989 -0.416 20.026 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.496 -0.488 19.081 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.926 -0.405 18.248 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.524 -2.215 20.238 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.297 -2.389 18.482 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.791 -3.792 19.458 1.00 0.00 H new ATOM 1324 N ARG A 80 4.782 -1.806 16.553 1.00 0.00 N ATOM 1325 CA ARG A 80 6.030 -1.008 16.412 1.00 0.00 C ATOM 1326 C ARG A 80 5.660 0.447 15.977 1.00 0.00 C ATOM 1327 O ARG A 80 5.498 0.726 14.786 1.00 0.00 O ATOM 1328 CB ARG A 80 7.007 -1.754 15.453 1.00 0.00 C ATOM 1329 CG ARG A 80 8.284 -0.999 14.993 1.00 0.00 C ATOM 1330 CD ARG A 80 9.211 -0.493 16.118 1.00 0.00 C ATOM 1331 NE ARG A 80 10.440 0.119 15.532 1.00 0.00 N ATOM 1332 CZ ARG A 80 11.607 -0.498 15.340 1.00 0.00 C ATOM 1333 NH1 ARG A 80 11.846 -1.735 15.695 1.00 0.00 N ATOM 1334 NH2 ARG A 80 12.561 0.169 14.761 1.00 0.00 N ATOM 0 H ARG A 80 4.155 -1.728 15.753 1.00 0.00 H new ATOM 0 HA ARG A 80 6.562 -0.909 17.358 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.321 -2.675 15.944 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.448 -2.042 14.562 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.859 -1.660 14.345 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.979 -0.145 14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.686 0.240 16.730 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.484 -1.319 16.774 1.00 0.00 H new ATOM 0 HE ARG A 80 10.382 1.098 15.253 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.116 -2.286 16.148 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.762 -2.148 15.519 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.404 1.134 14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.466 -0.272 14.599 1.00 0.00 H new ATOM 1348 N VAL A 81 5.597 1.390 16.937 1.00 0.00 N ATOM 1349 CA VAL A 81 5.533 2.853 16.622 1.00 0.00 C ATOM 1350 C VAL A 81 7.003 3.368 16.457 1.00 0.00 C ATOM 1351 O VAL A 81 7.719 3.546 17.448 1.00 0.00 O ATOM 1352 CB VAL A 81 4.689 3.663 17.670 1.00 0.00 C ATOM 1353 CG1 VAL A 81 4.606 5.171 17.320 1.00 0.00 C ATOM 1354 CG2 VAL A 81 3.227 3.173 17.802 1.00 0.00 C ATOM 0 H VAL A 81 5.588 1.179 17.935 1.00 0.00 H new ATOM 0 HA VAL A 81 4.996 3.013 15.687 1.00 0.00 H new ATOM 0 HB VAL A 81 5.223 3.500 18.606 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.012 5.687 18.074 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.610 5.595 17.296 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.137 5.293 16.343 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.706 3.779 18.543 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.724 3.265 16.839 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.220 2.129 18.117 1.00 0.00 H new ATOM 1364 N ASN A 82 7.464 3.601 15.213 1.00 0.00 N ATOM 1365 CA ASN A 82 8.848 4.102 14.943 1.00 0.00 C ATOM 1366 C ASN A 82 8.927 5.668 14.899 1.00 0.00 C ATOM 1367 O ASN A 82 9.286 6.264 13.880 1.00 0.00 O ATOM 1368 CB ASN A 82 9.322 3.383 13.644 1.00 0.00 C ATOM 1369 CG ASN A 82 10.835 3.361 13.416 1.00 0.00 C ATOM 1370 OD1 ASN A 82 11.566 2.650 14.100 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.347 4.068 12.438 1.00 0.00 N ATOM 0 H ASN A 82 6.907 3.454 14.371 1.00 0.00 H new ATOM 0 HA ASN A 82 9.530 3.860 15.758 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.961 2.355 13.667 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.851 3.868 12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.348 4.026 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.744 4.660 11.867 1.00 0.00 H new ATOM 1378 N GLY A 83 8.566 6.345 16.010 1.00 0.00 N ATOM 1379 CA GLY A 83 8.362 7.824 16.017 1.00 0.00 C ATOM 1380 C GLY A 83 7.099 8.311 15.273 1.00 0.00 C ATOM 1381 O GLY A 83 6.091 8.655 15.887 1.00 0.00 O ATOM 0 H GLY A 83 8.408 5.900 16.914 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.310 8.164 17.051 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.235 8.298 15.569 1.00 0.00 H new ATOM 1385 N THR A 84 7.199 8.321 13.942 1.00 0.00 N ATOM 1386 CA THR A 84 6.080 8.669 13.016 1.00 0.00 C ATOM 1387 C THR A 84 5.286 7.428 12.477 1.00 0.00 C ATOM 1388 O THR A 84 4.055 7.484 12.385 1.00 0.00 O ATOM 1389 CB THR A 84 6.604 9.617 11.883 1.00 0.00 C ATOM 1390 OG1 THR A 84 7.903 9.280 11.370 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.730 11.071 12.372 1.00 0.00 C ATOM 0 H THR A 84 8.064 8.087 13.455 1.00 0.00 H new ATOM 0 HA THR A 84 5.332 9.212 13.594 1.00 0.00 H new ATOM 0 HB THR A 84 5.856 9.496 11.099 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.837 8.474 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.096 11.698 11.559 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.754 11.431 12.697 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.429 11.115 13.207 1.00 0.00 H new ATOM 1399 N GLU A 85 5.967 6.319 12.131 1.00 0.00 N ATOM 1400 CA GLU A 85 5.359 5.133 11.481 1.00 0.00 C ATOM 1401 C GLU A 85 4.660 4.203 12.525 1.00 0.00 C ATOM 1402 O GLU A 85 5.320 3.486 13.287 1.00 0.00 O ATOM 1403 CB GLU A 85 6.463 4.345 10.706 1.00 0.00 C ATOM 1404 CG GLU A 85 7.396 5.097 9.713 1.00 0.00 C ATOM 1405 CD GLU A 85 8.546 5.835 10.385 1.00 0.00 C ATOM 1406 OE1 GLU A 85 9.608 5.222 10.619 1.00 0.00 O ATOM 1407 OE2 GLU A 85 8.363 7.023 10.732 1.00 0.00 O ATOM 0 H GLU A 85 6.968 6.216 12.296 1.00 0.00 H new ATOM 0 HA GLU A 85 4.594 5.475 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.099 3.862 11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.965 3.552 10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.804 4.381 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.803 5.812 9.143 1.00 0.00 H new ATOM 1414 N VAL A 86 3.318 4.188 12.544 1.00 0.00 N ATOM 1415 CA VAL A 86 2.524 3.323 13.471 1.00 0.00 C ATOM 1416 C VAL A 86 2.286 1.945 12.776 1.00 0.00 C ATOM 1417 O VAL A 86 1.253 1.737 12.132 1.00 0.00 O ATOM 1418 CB VAL A 86 1.210 4.061 13.902 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.264 3.225 14.794 1.00 0.00 C ATOM 1420 CG2 VAL A 86 1.440 5.392 14.640 1.00 0.00 C ATOM 0 H VAL A 86 2.744 4.765 11.929 1.00 0.00 H new ATOM 0 HA VAL A 86 3.064 3.128 14.398 1.00 0.00 H new ATOM 0 HB VAL A 86 0.744 4.243 12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.618 3.815 15.043 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.041 2.326 14.259 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.782 2.943 15.711 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.479 5.834 14.901 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.014 5.210 15.548 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.991 6.076 13.994 1.00 0.00 H new ATOM 1430 N LYS A 87 3.246 1.010 12.912 1.00 0.00 N ATOM 1431 CA LYS A 87 3.152 -0.355 12.327 1.00 0.00 C ATOM 1432 C LYS A 87 2.505 -1.324 13.361 1.00 0.00 C ATOM 1433 O LYS A 87 3.186 -1.876 14.231 1.00 0.00 O ATOM 1434 CB LYS A 87 4.579 -0.750 11.845 1.00 0.00 C ATOM 1435 CG LYS A 87 4.684 -2.005 10.939 1.00 0.00 C ATOM 1436 CD LYS A 87 4.941 -3.327 11.691 1.00 0.00 C ATOM 1437 CE LYS A 87 4.980 -4.541 10.743 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.271 -5.766 11.534 1.00 0.00 N ATOM 0 H LYS A 87 4.110 1.173 13.429 1.00 0.00 H new ATOM 0 HA LYS A 87 2.496 -0.403 11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.002 0.097 11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.203 -0.911 12.724 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.760 -2.102 10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.488 -1.850 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.886 -3.258 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.160 -3.476 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.026 -4.645 10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.743 -4.397 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.020 -6.607 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.284 -5.796 11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.713 -5.753 12.412 1.00 0.00 H new ATOM 1452 N ILE A 88 1.180 -1.517 13.268 1.00 0.00 N ATOM 1453 CA ILE A 88 0.425 -2.449 14.156 1.00 0.00 C ATOM 1454 C ILE A 88 0.007 -3.663 13.265 1.00 0.00 C ATOM 1455 O ILE A 88 -0.886 -3.574 12.417 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.741 -1.711 14.902 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.232 -0.540 15.798 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.556 -2.690 15.785 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.306 0.454 16.259 1.00 0.00 C ATOM 0 H ILE A 88 0.594 -1.040 12.583 1.00 0.00 H new ATOM 0 HA ILE A 88 1.028 -2.829 14.980 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.378 -1.299 14.119 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.249 -0.963 16.680 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.534 0.008 15.249 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.356 -2.147 16.288 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.986 -3.472 15.159 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.900 -3.141 16.530 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.846 1.227 16.875 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.773 0.914 15.389 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.062 -0.072 16.841 1.00 0.00 H new ATOM 1471 N GLU A 89 0.695 -4.796 13.457 1.00 0.00 N ATOM 1472 CA GLU A 89 0.474 -6.038 12.674 1.00 0.00 C ATOM 1473 C GLU A 89 -0.414 -7.036 13.476 1.00 0.00 C ATOM 1474 O GLU A 89 -0.037 -7.470 14.569 1.00 0.00 O ATOM 1475 CB GLU A 89 1.888 -6.566 12.316 1.00 0.00 C ATOM 1476 CG GLU A 89 1.971 -7.947 11.622 1.00 0.00 C ATOM 1477 CD GLU A 89 3.389 -8.471 11.530 1.00 0.00 C ATOM 1478 OE1 GLU A 89 4.159 -7.978 10.675 1.00 0.00 O ATOM 1479 OE2 GLU A 89 3.766 -9.318 12.365 1.00 0.00 O ATOM 0 H GLU A 89 1.427 -4.886 14.162 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.083 -5.874 11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.369 -5.833 11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.474 -6.613 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.359 -8.662 12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.550 -7.871 10.619 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.580 -7.422 12.928 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.489 -8.412 13.588 1.00 0.00 C ATOM 1488 C VAL A 90 -2.473 -9.800 12.885 1.00 0.00 C ATOM 1489 O VAL A 90 -2.543 -9.901 11.655 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.943 -7.900 13.841 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.986 -6.795 14.902 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.752 -7.432 12.615 1.00 0.00 C ATOM 0 H VAL A 90 -1.925 -7.073 12.034 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.062 -8.544 14.582 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.436 -8.809 14.186 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.016 -6.469 15.046 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.592 -7.179 15.843 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.381 -5.951 14.573 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.741 -7.104 12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.234 -6.604 12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.854 -8.257 11.910 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.388 -10.872 13.695 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.364 -12.273 13.194 1.00 0.00 C ATOM 1504 C ARG A 91 -3.602 -13.098 13.684 1.00 0.00 C ATOM 1505 O ARG A 91 -4.129 -12.889 14.782 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.033 -12.964 13.617 1.00 0.00 C ATOM 1507 CG ARG A 91 0.253 -12.601 12.821 1.00 0.00 C ATOM 1508 CD ARG A 91 0.964 -11.267 13.138 1.00 0.00 C ATOM 1509 NE ARG A 91 1.426 -11.214 14.553 1.00 0.00 N ATOM 1510 CZ ARG A 91 2.662 -11.404 14.991 1.00 0.00 C ATOM 1511 NH1 ARG A 91 3.736 -11.269 14.258 1.00 0.00 N ATOM 1512 NH2 ARG A 91 2.791 -11.719 16.250 1.00 0.00 N ATOM 0 H ARG A 91 -2.334 -10.800 14.711 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.420 -12.239 12.106 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.854 -12.733 14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.178 -14.042 13.548 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.974 -13.405 12.971 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.003 -12.597 11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.817 -11.141 12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.284 -10.437 12.945 1.00 0.00 H new ATOM 0 HE ARG A 91 0.717 -11.010 15.258 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.654 -11.000 13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.656 -11.433 14.667 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.964 -11.807 16.841 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.719 -11.877 16.644 1.00 0.00 H new ATOM 1526 N VAL A 92 -4.026 -14.090 12.872 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.095 -15.061 13.263 1.00 0.00 C ATOM 1528 C VAL A 92 -4.456 -16.470 13.190 1.00 0.00 C ATOM 1529 O VAL A 92 -4.550 -17.203 12.196 1.00 0.00 O ATOM 1530 CB VAL A 92 -6.425 -14.910 12.441 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -7.559 -15.827 12.961 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.995 -13.475 12.403 1.00 0.00 C ATOM 0 H VAL A 92 -3.649 -14.248 11.937 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.437 -14.860 14.278 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.118 -15.200 11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.453 -15.680 12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.244 -16.868 12.895 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.780 -15.580 13.999 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.913 -13.463 11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.211 -13.142 13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.265 -12.805 11.949 1.00 0.00 H new