USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot -149:sc= 1.59! USER MOD Set 1.2: A 61 THR OG1 : rot 49:sc= 1.69 USER MOD Set 2.1: A 26 SER OG : rot 120:sc= -0.903 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Set 3.2: A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0211 USER MOD Single : A 37 CYS SG : rot 32:sc= 0.0117 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.6 K(o=-0.6,f=-4.9!) USER MOD Single : A 48 THR OG1 : rot 92:sc= -0.326 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -0.0797 (180deg=-1.01) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -1.88 X(o=-1.9,f=-1.4) USER MOD Single : A 70 HIS : no HE2:sc= -8.48! C(o=-8.5!,f=-8.3!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.135 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 0.974 -19.840 -0.900 1.00 0.00 N ATOM 67 CA ASP A 8 1.113 -19.373 0.469 1.00 0.00 C ATOM 68 C ASP A 8 1.062 -17.844 0.490 1.00 0.00 C ATOM 69 O ASP A 8 0.179 -17.257 1.113 1.00 0.00 O ATOM 70 CB ASP A 8 2.452 -19.810 1.067 1.00 0.00 C ATOM 71 CG ASP A 8 2.438 -21.176 1.756 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.834 -21.254 2.848 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.031 -22.110 1.176 1.00 0.00 O ATOM 0 HA ASP A 8 0.300 -19.801 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.199 -19.828 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.773 -19.059 1.789 1.00 0.00 H new ATOM 78 N GLN A 9 2.021 -17.243 -0.199 1.00 0.00 N ATOM 79 CA GLN A 9 2.097 -15.793 -0.268 1.00 0.00 C ATOM 80 C GLN A 9 0.949 -15.241 -1.115 1.00 0.00 C ATOM 81 O GLN A 9 0.503 -14.114 -0.904 1.00 0.00 O ATOM 82 CB GLN A 9 3.451 -15.341 -0.818 1.00 0.00 C ATOM 83 CG GLN A 9 4.602 -15.999 -0.053 1.00 0.00 C ATOM 84 CD GLN A 9 5.819 -16.198 -0.959 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.824 -15.837 -2.124 1.00 0.00 O ATOM 86 NE2 GLN A 9 6.847 -16.791 -0.360 1.00 0.00 N ATOM 0 H GLN A 9 2.752 -17.733 -0.714 1.00 0.00 H new ATOM 0 HA GLN A 9 2.001 -15.395 0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.521 -15.595 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.534 -14.257 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.877 -15.380 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.277 -16.961 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.776 -17.068 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.707 -16.969 -0.879 1.00 0.00 H new ATOM 95 N LYS A 10 0.503 -16.061 -2.056 1.00 0.00 N ATOM 96 CA LYS A 10 -0.585 -15.668 -2.935 1.00 0.00 C ATOM 97 C LYS A 10 -1.813 -15.315 -2.094 1.00 0.00 C ATOM 98 O LYS A 10 -2.629 -14.487 -2.497 1.00 0.00 O ATOM 99 CB LYS A 10 -0.847 -16.755 -3.980 1.00 0.00 C ATOM 100 CG LYS A 10 -0.964 -16.151 -5.381 1.00 0.00 C ATOM 101 CD LYS A 10 -0.845 -17.233 -6.457 1.00 0.00 C ATOM 102 CE LYS A 10 -2.215 -17.822 -6.796 1.00 0.00 C ATOM 103 NZ LYS A 10 -2.470 -17.737 -8.251 1.00 0.00 N ATOM 0 H LYS A 10 0.875 -16.995 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.317 -14.774 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.038 -17.485 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.764 -17.289 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.920 -15.638 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.184 -15.403 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.395 -16.810 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.181 -18.024 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.260 -18.862 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.993 -17.285 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.404 -18.141 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.447 -16.741 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.738 -18.269 -8.763 1.00 0.00 H new ATOM 117 N LYS A 11 -1.907 -15.961 -0.941 1.00 0.00 N ATOM 118 CA LYS A 11 -3.022 -15.726 -0.040 1.00 0.00 C ATOM 119 C LYS A 11 -2.748 -14.467 0.786 1.00 0.00 C ATOM 120 O LYS A 11 -3.619 -13.610 0.926 1.00 0.00 O ATOM 121 CB LYS A 11 -3.298 -16.969 0.808 1.00 0.00 C ATOM 122 CG LYS A 11 -4.006 -18.048 -0.015 1.00 0.00 C ATOM 123 CD LYS A 11 -4.059 -19.373 0.748 1.00 0.00 C ATOM 124 CE LYS A 11 -3.233 -20.448 0.039 1.00 0.00 C ATOM 125 NZ LYS A 11 -3.796 -21.791 0.301 1.00 0.00 N ATOM 0 H LYS A 11 -1.229 -16.647 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.936 -15.545 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.360 -17.362 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.913 -16.699 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.018 -17.722 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.484 -18.190 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.682 -19.229 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.094 -19.704 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.219 -20.256 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.200 -20.407 0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.223 -22.509 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.786 -21.978 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.774 -21.832 -0.049 1.00 0.00 H new ATOM 139 N PHE A 12 -1.533 -14.395 1.310 1.00 0.00 N ATOM 140 CA PHE A 12 -1.133 -13.255 2.118 1.00 0.00 C ATOM 141 C PHE A 12 -1.250 -11.953 1.324 1.00 0.00 C ATOM 142 O PHE A 12 -1.651 -10.925 1.867 1.00 0.00 O ATOM 143 CB PHE A 12 0.330 -13.474 2.506 1.00 0.00 C ATOM 144 CG PHE A 12 1.045 -12.206 2.978 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.344 -11.222 2.087 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.381 -12.062 4.288 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.007 -10.046 2.525 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.044 -10.885 4.726 1.00 0.00 C ATOM 149 CZ PHE A 12 2.343 -9.902 3.835 1.00 0.00 C ATOM 0 H PHE A 12 -0.813 -15.107 1.191 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.778 -13.174 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.377 -14.222 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.865 -13.883 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.077 -11.336 1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.144 -12.843 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.245 -9.265 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.311 -10.771 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.847 -9.007 4.168 1.00 0.00 H new ATOM 159 N ILE A 13 -0.891 -12.039 0.052 1.00 0.00 N ATOM 160 CA ILE A 13 -0.949 -10.879 -0.822 1.00 0.00 C ATOM 161 C ILE A 13 -2.412 -10.543 -1.118 1.00 0.00 C ATOM 162 O ILE A 13 -2.826 -9.392 -0.988 1.00 0.00 O ATOM 163 CB ILE A 13 -0.106 -11.112 -2.078 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.270 -9.784 -2.739 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.818 -12.055 -3.050 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.380 -9.078 -1.959 1.00 0.00 C ATOM 0 H ILE A 13 -0.559 -12.894 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.514 -10.009 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 13 0.823 -11.599 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.598 -9.963 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.607 -9.140 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.197 -12.203 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.992 -13.015 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.772 -11.620 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.628 -8.137 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.040 -8.878 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.264 -9.715 -1.927 1.00 0.00 H new ATOM 178 N ASP A 14 -3.155 -11.567 -1.510 1.00 0.00 N ATOM 179 CA ASP A 14 -4.563 -11.395 -1.824 1.00 0.00 C ATOM 180 C ASP A 14 -5.266 -10.723 -0.643 1.00 0.00 C ATOM 181 O ASP A 14 -6.082 -9.822 -0.832 1.00 0.00 O ATOM 182 CB ASP A 14 -5.241 -12.743 -2.075 1.00 0.00 C ATOM 183 CG ASP A 14 -5.713 -12.973 -3.512 1.00 0.00 C ATOM 184 OD1 ASP A 14 -4.829 -13.068 -4.391 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.946 -13.049 -3.699 1.00 0.00 O ATOM 0 H ASP A 14 -2.808 -12.520 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.635 -10.783 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.546 -13.538 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.099 -12.831 -1.409 1.00 0.00 H new ATOM 190 N GLN A 15 -4.925 -11.189 0.550 1.00 0.00 N ATOM 191 CA GLN A 15 -5.514 -10.645 1.761 1.00 0.00 C ATOM 192 C GLN A 15 -5.143 -9.168 1.915 1.00 0.00 C ATOM 193 O GLN A 15 -5.956 -8.365 2.370 1.00 0.00 O ATOM 194 CB GLN A 15 -5.083 -11.449 2.989 1.00 0.00 C ATOM 195 CG GLN A 15 -4.082 -10.661 3.838 1.00 0.00 C ATOM 196 CD GLN A 15 -3.644 -11.469 5.061 1.00 0.00 C ATOM 197 OE1 GLN A 15 -3.740 -12.684 5.101 1.00 0.00 O ATOM 198 NE2 GLN A 15 -3.159 -10.728 6.053 1.00 0.00 N ATOM 0 H GLN A 15 -4.249 -11.937 0.703 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.598 -10.721 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.958 -11.699 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.635 -12.391 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.210 -10.406 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.533 -9.722 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.107 -9.714 5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.839 -11.173 6.913 1.00 0.00 H new ATOM 207 N VAL A 16 -3.915 -8.856 1.528 1.00 0.00 N ATOM 208 CA VAL A 16 -3.427 -7.490 1.617 1.00 0.00 C ATOM 209 C VAL A 16 -4.168 -6.621 0.599 1.00 0.00 C ATOM 210 O VAL A 16 -4.697 -5.566 0.946 1.00 0.00 O ATOM 211 CB VAL A 16 -1.908 -7.464 1.432 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.383 -6.027 1.414 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.211 -8.290 2.515 1.00 0.00 C ATOM 0 H VAL A 16 -3.243 -9.525 1.152 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.628 -7.076 2.605 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.679 -7.916 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.301 -6.037 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.845 -5.481 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.629 -5.538 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.132 -8.255 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.451 -7.880 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.552 -9.324 2.460 1.00 0.00 H new ATOM 223 N ILE A 17 -4.182 -7.096 -0.638 1.00 0.00 N ATOM 224 CA ILE A 17 -4.849 -6.375 -1.709 1.00 0.00 C ATOM 225 C ILE A 17 -6.234 -5.930 -1.233 1.00 0.00 C ATOM 226 O ILE A 17 -6.616 -4.776 -1.418 1.00 0.00 O ATOM 227 CB ILE A 17 -4.879 -7.218 -2.985 1.00 0.00 C ATOM 228 CG1 ILE A 17 -3.491 -7.296 -3.624 1.00 0.00 C ATOM 229 CG2 ILE A 17 -5.932 -6.695 -3.964 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.141 -8.736 -4.002 1.00 0.00 C ATOM 0 H ILE A 17 -3.742 -7.971 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.294 -5.472 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.167 -8.234 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.460 -6.665 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.745 -6.907 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.932 -7.312 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.916 -6.735 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.700 -5.664 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.150 -8.763 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.149 -9.359 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.875 -9.114 -4.714 1.00 0.00 H new ATOM 242 N GLU A 18 -6.947 -6.870 -0.630 1.00 0.00 N ATOM 243 CA GLU A 18 -8.281 -6.589 -0.126 1.00 0.00 C ATOM 244 C GLU A 18 -8.280 -5.291 0.683 1.00 0.00 C ATOM 245 O GLU A 18 -9.129 -4.426 0.476 1.00 0.00 O ATOM 246 CB GLU A 18 -8.808 -7.757 0.710 1.00 0.00 C ATOM 247 CG GLU A 18 -9.337 -8.879 -0.186 1.00 0.00 C ATOM 248 CD GLU A 18 -10.862 -8.973 -0.103 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.519 -8.166 -0.795 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.335 -9.851 0.651 1.00 0.00 O ATOM 0 H GLU A 18 -6.626 -7.826 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.951 -6.463 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.012 -8.141 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.603 -7.408 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.036 -8.698 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.894 -9.829 0.114 1.00 0.00 H new ATOM 257 N LYS A 19 -7.318 -5.196 1.589 1.00 0.00 N ATOM 258 CA LYS A 19 -7.196 -4.018 2.430 1.00 0.00 C ATOM 259 C LYS A 19 -7.047 -2.778 1.546 1.00 0.00 C ATOM 260 O LYS A 19 -7.601 -1.723 1.852 1.00 0.00 O ATOM 261 CB LYS A 19 -6.058 -4.195 3.438 1.00 0.00 C ATOM 262 CG LYS A 19 -6.306 -5.407 4.338 1.00 0.00 C ATOM 263 CD LYS A 19 -4.986 -5.997 4.839 1.00 0.00 C ATOM 264 CE LYS A 19 -5.064 -6.325 6.331 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.675 -7.732 6.573 1.00 0.00 N ATOM 0 H LYS A 19 -6.616 -5.916 1.759 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.099 -3.879 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.114 -4.319 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.965 -3.297 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.923 -5.114 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.862 -6.166 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.750 -6.900 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.176 -5.290 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.408 -5.659 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.077 -6.154 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.878 -7.983 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.215 -8.355 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.658 -7.848 6.388 1.00 0.00 H new ATOM 279 N ILE A 20 -6.297 -2.946 0.467 1.00 0.00 N ATOM 280 CA ILE A 20 -6.069 -1.854 -0.463 1.00 0.00 C ATOM 281 C ILE A 20 -7.375 -1.526 -1.189 1.00 0.00 C ATOM 282 O ILE A 20 -7.741 -0.359 -1.320 1.00 0.00 O ATOM 283 CB ILE A 20 -4.909 -2.185 -1.405 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.566 -2.082 -0.678 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.952 -1.308 -2.657 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.471 -2.830 -1.441 1.00 0.00 C ATOM 0 H ILE A 20 -5.839 -3.822 0.216 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.767 -0.955 0.074 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.019 -3.219 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.287 -1.034 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.660 -2.493 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.117 -1.564 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.890 -1.475 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.880 -0.259 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.527 -2.741 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.742 -3.882 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.363 -2.400 -2.437 1.00 0.00 H new ATOM 298 N GLU A 21 -8.043 -2.577 -1.641 1.00 0.00 N ATOM 299 CA GLU A 21 -9.302 -2.416 -2.350 1.00 0.00 C ATOM 300 C GLU A 21 -10.254 -1.529 -1.545 1.00 0.00 C ATOM 301 O GLU A 21 -10.661 -0.466 -2.011 1.00 0.00 O ATOM 302 CB GLU A 21 -9.939 -3.774 -2.651 1.00 0.00 C ATOM 303 CG GLU A 21 -9.305 -4.415 -3.886 1.00 0.00 C ATOM 304 CD GLU A 21 -10.373 -4.803 -4.911 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.182 -3.914 -5.253 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.356 -5.981 -5.331 1.00 0.00 O ATOM 0 H GLU A 21 -7.737 -3.544 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.101 -1.927 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.819 -4.434 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.010 -3.650 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.597 -3.720 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.740 -5.299 -3.592 1.00 0.00 H new ATOM 313 N ASP A 22 -10.582 -1.999 -0.350 1.00 0.00 N ATOM 314 CA ASP A 22 -11.479 -1.262 0.523 1.00 0.00 C ATOM 315 C ASP A 22 -11.024 0.197 0.601 1.00 0.00 C ATOM 316 O ASP A 22 -11.838 1.112 0.482 1.00 0.00 O ATOM 317 CB ASP A 22 -11.463 -1.837 1.941 1.00 0.00 C ATOM 318 CG ASP A 22 -12.696 -1.508 2.786 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.696 -1.064 2.182 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.610 -1.709 4.017 1.00 0.00 O ATOM 0 H ASP A 22 -10.242 -2.881 0.034 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.486 -1.338 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.364 -2.921 1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.578 -1.466 2.457 1.00 0.00 H new ATOM 325 N PHE A 23 -9.725 0.369 0.799 1.00 0.00 N ATOM 326 CA PHE A 23 -9.153 1.701 0.894 1.00 0.00 C ATOM 327 C PHE A 23 -9.396 2.495 -0.391 1.00 0.00 C ATOM 328 O PHE A 23 -9.724 3.679 -0.341 1.00 0.00 O ATOM 329 CB PHE A 23 -7.646 1.527 1.094 1.00 0.00 C ATOM 330 CG PHE A 23 -6.808 2.686 0.550 1.00 0.00 C ATOM 331 CD1 PHE A 23 -7.153 3.969 0.840 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.717 2.433 -0.222 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.375 5.045 0.335 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.939 3.509 -0.726 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.285 4.792 -0.437 1.00 0.00 C ATOM 0 H PHE A 23 -9.053 -0.392 0.896 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.613 2.246 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.442 1.413 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.330 0.604 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.018 4.170 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.442 1.414 -0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.649 6.064 0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.073 3.308 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.694 5.610 -0.821 1.00 0.00 H new ATOM 345 N LEU A 24 -9.226 1.810 -1.513 1.00 0.00 N ATOM 346 CA LEU A 24 -9.423 2.437 -2.809 1.00 0.00 C ATOM 347 C LEU A 24 -10.898 2.811 -2.971 1.00 0.00 C ATOM 348 O LEU A 24 -11.218 3.860 -3.527 1.00 0.00 O ATOM 349 CB LEU A 24 -8.891 1.537 -3.926 1.00 0.00 C ATOM 350 CG LEU A 24 -7.388 1.253 -3.900 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.052 -0.001 -4.710 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.591 2.471 -4.372 1.00 0.00 C ATOM 0 H LEU A 24 -8.954 0.828 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.850 3.362 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.421 0.586 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.137 1.996 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.096 1.057 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.977 -0.180 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.576 -0.858 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.363 0.140 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.526 2.242 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.881 2.723 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.798 3.317 -3.717 1.00 0.00 H new ATOM 364 N GLN A 25 -11.756 1.932 -2.475 1.00 0.00 N ATOM 365 CA GLN A 25 -13.189 2.157 -2.558 1.00 0.00 C ATOM 366 C GLN A 25 -13.566 3.451 -1.835 1.00 0.00 C ATOM 367 O GLN A 25 -14.378 4.231 -2.332 1.00 0.00 O ATOM 368 CB GLN A 25 -13.965 0.966 -1.990 1.00 0.00 C ATOM 369 CG GLN A 25 -13.967 -0.206 -2.973 1.00 0.00 C ATOM 370 CD GLN A 25 -15.215 -0.177 -3.857 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.733 0.869 -4.212 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.669 -1.382 -4.192 1.00 0.00 N ATOM 0 H GLN A 25 -11.487 1.063 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.461 2.258 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.518 0.653 -1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.990 1.265 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.074 -0.164 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.928 -1.146 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.188 -2.218 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.498 -1.469 -4.780 1.00 0.00 H new ATOM 381 N SER A 26 -12.958 3.641 -0.673 1.00 0.00 N ATOM 382 CA SER A 26 -13.220 4.828 0.123 1.00 0.00 C ATOM 383 C SER A 26 -12.775 6.078 -0.638 1.00 0.00 C ATOM 384 O SER A 26 -11.792 6.042 -1.377 1.00 0.00 O ATOM 385 CB SER A 26 -12.511 4.751 1.477 1.00 0.00 C ATOM 386 OG SER A 26 -13.239 5.424 2.500 1.00 0.00 O ATOM 0 H SER A 26 -12.285 2.993 -0.264 1.00 0.00 H new ATOM 0 HA SER A 26 -14.293 4.885 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.375 3.706 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.517 5.190 1.391 1.00 0.00 H new ATOM 0 HG SER A 26 -13.473 4.788 3.207 1.00 0.00 H new ATOM 392 N GLU A 27 -13.519 7.154 -0.433 1.00 0.00 N ATOM 393 CA GLU A 27 -13.213 8.413 -1.091 1.00 0.00 C ATOM 394 C GLU A 27 -12.305 9.268 -0.205 1.00 0.00 C ATOM 395 O GLU A 27 -11.217 9.662 -0.623 1.00 0.00 O ATOM 396 CB GLU A 27 -14.494 9.168 -1.453 1.00 0.00 C ATOM 397 CG GLU A 27 -14.632 9.317 -2.970 1.00 0.00 C ATOM 398 CD GLU A 27 -15.122 10.719 -3.340 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.064 11.187 -2.665 1.00 0.00 O ATOM 400 OE2 GLU A 27 -14.544 11.289 -4.290 1.00 0.00 O ATOM 0 H GLU A 27 -14.334 7.180 0.180 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.683 8.196 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.359 8.636 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.484 10.153 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.671 9.126 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.330 8.571 -3.350 1.00 0.00 H new ATOM 407 N GLU A 28 -12.785 9.530 1.002 1.00 0.00 N ATOM 408 CA GLU A 28 -12.029 10.331 1.950 1.00 0.00 C ATOM 409 C GLU A 28 -10.594 9.812 2.058 1.00 0.00 C ATOM 410 O GLU A 28 -9.641 10.580 1.930 1.00 0.00 O ATOM 411 CB GLU A 28 -12.711 10.348 3.319 1.00 0.00 C ATOM 412 CG GLU A 28 -13.104 11.771 3.719 1.00 0.00 C ATOM 413 CD GLU A 28 -13.435 11.850 5.211 1.00 0.00 C ATOM 414 OE1 GLU A 28 -12.521 11.557 6.011 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.595 12.202 5.517 1.00 0.00 O ATOM 0 H GLU A 28 -13.688 9.202 1.345 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.996 11.357 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.598 9.715 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.040 9.928 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.289 12.456 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.966 12.092 3.134 1.00 0.00 H new ATOM 422 N LYS A 29 -10.484 8.513 2.292 1.00 0.00 N ATOM 423 CA LYS A 29 -9.181 7.883 2.419 1.00 0.00 C ATOM 424 C LYS A 29 -8.229 8.475 1.378 1.00 0.00 C ATOM 425 O LYS A 29 -8.587 8.606 0.208 1.00 0.00 O ATOM 426 CB LYS A 29 -9.312 6.360 2.337 1.00 0.00 C ATOM 427 CG LYS A 29 -10.209 5.826 3.455 1.00 0.00 C ATOM 428 CD LYS A 29 -10.039 4.314 3.619 1.00 0.00 C ATOM 429 CE LYS A 29 -10.372 3.877 5.047 1.00 0.00 C ATOM 430 NZ LYS A 29 -11.762 3.376 5.125 1.00 0.00 N ATOM 0 H LYS A 29 -11.276 7.879 2.397 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.751 8.091 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.725 6.079 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.325 5.902 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.965 6.327 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.251 6.056 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.688 3.793 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.014 4.031 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.680 3.098 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.243 4.717 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.971 3.084 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.419 4.130 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.874 2.561 4.488 1.00 0.00 H new ATOM 444 N ARG A 30 -7.036 8.818 1.841 1.00 0.00 N ATOM 445 CA ARG A 30 -6.030 9.393 0.965 1.00 0.00 C ATOM 446 C ARG A 30 -4.804 8.481 0.894 1.00 0.00 C ATOM 447 O ARG A 30 -4.172 8.365 -0.155 1.00 0.00 O ATOM 448 CB ARG A 30 -5.600 10.777 1.454 1.00 0.00 C ATOM 449 CG ARG A 30 -6.014 11.864 0.459 1.00 0.00 C ATOM 450 CD ARG A 30 -7.191 12.680 0.997 1.00 0.00 C ATOM 451 NE ARG A 30 -6.692 13.842 1.766 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.183 14.949 1.208 1.00 0.00 C ATOM 453 NH1 ARG A 30 -6.102 15.052 -0.125 1.00 0.00 N ATOM 454 NH2 ARG A 30 -5.754 15.954 1.984 1.00 0.00 N ATOM 0 H ARG A 30 -6.744 8.709 2.812 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.471 9.492 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.050 10.979 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.519 10.798 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.169 12.524 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.288 11.407 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.815 13.021 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.817 12.054 1.633 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.738 13.797 2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.428 14.287 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.714 15.895 -0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.815 15.876 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.367 16.797 1.559 1.00 0.00 H new ATOM 468 N SER A 31 -4.504 7.857 2.023 1.00 0.00 N ATOM 469 CA SER A 31 -3.364 6.959 2.102 1.00 0.00 C ATOM 470 C SER A 31 -3.669 5.810 3.066 1.00 0.00 C ATOM 471 O SER A 31 -4.243 6.026 4.132 1.00 0.00 O ATOM 472 CB SER A 31 -2.105 7.705 2.546 1.00 0.00 C ATOM 473 OG SER A 31 -2.247 9.117 2.417 1.00 0.00 O ATOM 0 H SER A 31 -5.030 7.955 2.891 1.00 0.00 H new ATOM 0 HA SER A 31 -3.180 6.551 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.884 7.456 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.256 7.370 1.950 1.00 0.00 H new ATOM 0 HG SER A 31 -1.423 9.557 2.712 1.00 0.00 H new ATOM 479 N LEU A 32 -3.270 4.615 2.657 1.00 0.00 N ATOM 480 CA LEU A 32 -3.493 3.432 3.471 1.00 0.00 C ATOM 481 C LEU A 32 -2.180 3.026 4.142 1.00 0.00 C ATOM 482 O LEU A 32 -1.101 3.370 3.662 1.00 0.00 O ATOM 483 CB LEU A 32 -4.128 2.319 2.635 1.00 0.00 C ATOM 484 CG LEU A 32 -4.570 1.072 3.404 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.895 1.318 4.130 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.639 -0.146 2.481 1.00 0.00 C ATOM 0 H LEU A 32 -2.793 4.440 1.772 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.205 3.645 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.996 2.730 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.415 2.015 1.869 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.820 0.856 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.187 0.417 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.776 2.140 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.666 1.572 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.956 -1.018 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.355 0.043 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.655 -0.332 2.050 1.00 0.00 H new ATOM 498 N GLU A 33 -2.315 2.299 5.242 1.00 0.00 N ATOM 499 CA GLU A 33 -1.153 1.842 5.984 1.00 0.00 C ATOM 500 C GLU A 33 -1.215 0.327 6.188 1.00 0.00 C ATOM 501 O GLU A 33 -2.204 -0.194 6.701 1.00 0.00 O ATOM 502 CB GLU A 33 -1.036 2.571 7.324 1.00 0.00 C ATOM 503 CG GLU A 33 -1.431 4.042 7.184 1.00 0.00 C ATOM 504 CD GLU A 33 -1.406 4.748 8.541 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.939 4.106 9.506 1.00 0.00 O ATOM 506 OE2 GLU A 33 -1.854 5.915 8.582 1.00 0.00 O ATOM 0 H GLU A 33 -3.212 2.015 5.637 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.261 2.074 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.676 2.088 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.013 2.499 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.748 4.542 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.428 4.115 6.751 1.00 0.00 H new ATOM 513 N LEU A 34 -0.146 -0.339 5.775 1.00 0.00 N ATOM 514 CA LEU A 34 -0.067 -1.784 5.906 1.00 0.00 C ATOM 515 C LEU A 34 0.797 -2.135 7.118 1.00 0.00 C ATOM 516 O LEU A 34 1.532 -1.290 7.627 1.00 0.00 O ATOM 517 CB LEU A 34 0.420 -2.414 4.599 1.00 0.00 C ATOM 518 CG LEU A 34 -0.632 -2.579 3.501 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.024 -3.217 2.250 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.842 -3.364 4.014 1.00 0.00 C ATOM 0 H LEU A 34 0.673 0.096 5.349 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.056 -2.205 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.234 -1.804 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.837 -3.395 4.825 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.987 -1.588 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.793 -3.323 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.779 -2.584 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.376 -4.199 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.575 -3.467 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.522 -4.353 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.292 -2.832 4.852 1.00 0.00 H new ATOM 532 N ASP A 35 0.680 -3.384 7.546 1.00 0.00 N ATOM 533 CA ASP A 35 1.442 -3.857 8.689 1.00 0.00 C ATOM 534 C ASP A 35 2.909 -4.022 8.286 1.00 0.00 C ATOM 535 O ASP A 35 3.213 -4.254 7.117 1.00 0.00 O ATOM 536 CB ASP A 35 0.928 -5.216 9.168 1.00 0.00 C ATOM 537 CG ASP A 35 1.447 -6.419 8.378 1.00 0.00 C ATOM 538 OD1 ASP A 35 2.649 -6.725 8.534 1.00 0.00 O ATOM 539 OD2 ASP A 35 0.630 -7.007 7.637 1.00 0.00 O ATOM 0 H ASP A 35 0.069 -4.082 7.122 1.00 0.00 H new ATOM 0 HA ASP A 35 1.335 -3.127 9.491 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.202 -5.343 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.161 -5.213 9.122 1.00 0.00 H new ATOM 544 N PRO A 36 3.802 -3.892 9.303 1.00 0.00 N ATOM 545 CA PRO A 36 5.230 -4.024 9.067 1.00 0.00 C ATOM 546 C PRO A 36 5.619 -5.490 8.866 1.00 0.00 C ATOM 547 O PRO A 36 5.404 -6.320 9.748 1.00 0.00 O ATOM 548 CB PRO A 36 5.890 -3.396 10.284 1.00 0.00 C ATOM 549 CG PRO A 36 4.820 -3.355 11.363 1.00 0.00 C ATOM 550 CD PRO A 36 3.478 -3.617 10.700 1.00 0.00 C ATOM 0 HA PRO A 36 5.553 -3.525 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.750 -3.982 10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.255 -2.394 10.057 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.021 -4.105 12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.817 -2.385 11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.967 -4.462 11.162 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.817 -2.755 10.791 1.00 0.00 H new ATOM 558 N CYS A 37 6.185 -5.764 7.700 1.00 0.00 N ATOM 559 CA CYS A 37 6.606 -7.116 7.372 1.00 0.00 C ATOM 560 C CYS A 37 8.054 -7.293 7.833 1.00 0.00 C ATOM 561 O CYS A 37 8.754 -6.312 8.082 1.00 0.00 O ATOM 562 CB CYS A 37 6.442 -7.413 5.880 1.00 0.00 C ATOM 563 SG CYS A 37 4.730 -7.041 5.352 1.00 0.00 S ATOM 0 H CYS A 37 6.362 -5.073 6.971 1.00 0.00 H new ATOM 0 HA CYS A 37 5.970 -7.834 7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.147 -6.816 5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.673 -8.460 5.682 1.00 0.00 H new ATOM 0 HG CYS A 37 4.266 -6.049 6.053 1.00 0.00 H new ATOM 569 N THR A 38 8.461 -8.550 7.932 1.00 0.00 N ATOM 570 CA THR A 38 9.813 -8.868 8.359 1.00 0.00 C ATOM 571 C THR A 38 10.819 -8.489 7.270 1.00 0.00 C ATOM 572 O THR A 38 11.921 -8.034 7.570 1.00 0.00 O ATOM 573 CB THR A 38 9.854 -10.350 8.734 1.00 0.00 C ATOM 574 OG1 THR A 38 11.230 -10.602 9.005 1.00 0.00 O ATOM 575 CG2 THR A 38 9.534 -11.264 7.550 1.00 0.00 C ATOM 0 H THR A 38 7.878 -9.361 7.724 1.00 0.00 H new ATOM 0 HA THR A 38 10.097 -8.288 9.237 1.00 0.00 H new ATOM 0 HB THR A 38 9.145 -10.539 9.540 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.347 -11.542 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.577 -12.305 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.534 -11.040 7.177 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.262 -11.099 6.756 1.00 0.00 H new ATOM 583 N GLY A 39 10.402 -8.691 6.028 1.00 0.00 N ATOM 584 CA GLY A 39 11.253 -8.376 4.893 1.00 0.00 C ATOM 585 C GLY A 39 10.740 -9.052 3.620 1.00 0.00 C ATOM 586 O GLY A 39 10.170 -8.395 2.751 1.00 0.00 O ATOM 0 H GLY A 39 9.487 -9.069 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.287 -7.296 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.273 -8.702 5.097 1.00 0.00 H new ATOM 590 N PHE A 40 10.962 -10.357 3.550 1.00 0.00 N ATOM 591 CA PHE A 40 10.530 -11.129 2.398 1.00 0.00 C ATOM 592 C PHE A 40 9.128 -10.709 1.951 1.00 0.00 C ATOM 593 O PHE A 40 8.917 -10.380 0.785 1.00 0.00 O ATOM 594 CB PHE A 40 10.496 -12.596 2.829 1.00 0.00 C ATOM 595 CG PHE A 40 10.771 -13.585 1.694 1.00 0.00 C ATOM 596 CD1 PHE A 40 12.037 -13.749 1.226 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.748 -14.300 1.153 1.00 0.00 C ATOM 598 CE1 PHE A 40 12.292 -14.666 0.173 1.00 0.00 C ATOM 599 CE2 PHE A 40 10.003 -15.218 0.100 1.00 0.00 C ATOM 600 CZ PHE A 40 11.270 -15.381 -0.368 1.00 0.00 C ATOM 0 H PHE A 40 11.436 -10.899 4.273 1.00 0.00 H new ATOM 0 HA PHE A 40 11.213 -10.966 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.233 -12.750 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.519 -12.815 3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.849 -13.181 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.742 -14.170 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 40 13.298 -14.796 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.191 -15.787 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.464 -16.078 -1.169 1.00 0.00 H new ATOM 610 N GLN A 41 8.206 -10.733 2.903 1.00 0.00 N ATOM 611 CA GLN A 41 6.831 -10.359 2.622 1.00 0.00 C ATOM 612 C GLN A 41 6.775 -8.953 2.019 1.00 0.00 C ATOM 613 O GLN A 41 6.203 -8.755 0.949 1.00 0.00 O ATOM 614 CB GLN A 41 5.970 -10.449 3.883 1.00 0.00 C ATOM 615 CG GLN A 41 5.344 -11.838 4.022 1.00 0.00 C ATOM 616 CD GLN A 41 5.966 -12.605 5.192 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.854 -13.424 5.028 1.00 0.00 O ATOM 618 NE2 GLN A 41 5.450 -12.294 6.377 1.00 0.00 N ATOM 0 H GLN A 41 8.385 -11.006 3.869 1.00 0.00 H new ATOM 0 HA GLN A 41 6.426 -11.062 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.580 -10.232 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.184 -9.694 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.269 -11.743 4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.486 -12.399 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.707 -11.598 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.797 -12.751 7.220 1.00 0.00 H new ATOM 627 N ARG A 42 7.378 -8.014 2.733 1.00 0.00 N ATOM 628 CA ARG A 42 7.404 -6.633 2.282 1.00 0.00 C ATOM 629 C ARG A 42 7.599 -6.573 0.766 1.00 0.00 C ATOM 630 O ARG A 42 6.902 -5.832 0.075 1.00 0.00 O ATOM 631 CB ARG A 42 8.528 -5.852 2.966 1.00 0.00 C ATOM 632 CG ARG A 42 8.534 -4.390 2.514 1.00 0.00 C ATOM 633 CD ARG A 42 9.926 -3.969 2.037 1.00 0.00 C ATOM 634 NE ARG A 42 10.406 -2.818 2.835 1.00 0.00 N ATOM 635 CZ ARG A 42 11.625 -2.275 2.711 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.493 -2.774 1.821 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.975 -1.233 3.477 1.00 0.00 N ATOM 0 H ARG A 42 7.852 -8.182 3.620 1.00 0.00 H new ATOM 0 HA ARG A 42 6.449 -6.179 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.404 -5.901 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.489 -6.312 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.813 -4.252 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.219 -3.750 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.620 -4.804 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.892 -3.702 0.981 1.00 0.00 H new ATOM 0 HE ARG A 42 9.770 -2.413 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.226 -3.567 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.421 -2.361 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.314 -0.853 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.903 -0.820 3.383 1.00 0.00 H new ATOM 651 N LYS A 43 8.552 -7.364 0.292 1.00 0.00 N ATOM 652 CA LYS A 43 8.847 -7.410 -1.129 1.00 0.00 C ATOM 653 C LYS A 43 7.628 -7.945 -1.882 1.00 0.00 C ATOM 654 O LYS A 43 7.213 -7.370 -2.887 1.00 0.00 O ATOM 655 CB LYS A 43 10.127 -8.208 -1.385 1.00 0.00 C ATOM 656 CG LYS A 43 11.334 -7.536 -0.726 1.00 0.00 C ATOM 657 CD LYS A 43 12.144 -8.544 0.091 1.00 0.00 C ATOM 658 CE LYS A 43 13.054 -9.378 -0.813 1.00 0.00 C ATOM 659 NZ LYS A 43 14.305 -9.731 -0.105 1.00 0.00 N ATOM 0 H LYS A 43 9.129 -7.977 0.868 1.00 0.00 H new ATOM 0 HA LYS A 43 9.042 -6.408 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.013 -9.220 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.296 -8.296 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.969 -7.089 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.996 -6.726 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.745 -8.017 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.468 -9.201 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.536 -10.286 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.287 -8.819 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.911 -10.297 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.806 -8.862 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.078 -10.283 0.747 1.00 0.00 H new ATOM 673 N LEU A 44 7.088 -9.040 -1.368 1.00 0.00 N ATOM 674 CA LEU A 44 5.925 -9.660 -1.979 1.00 0.00 C ATOM 675 C LEU A 44 4.885 -8.582 -2.294 1.00 0.00 C ATOM 676 O LEU A 44 4.349 -8.537 -3.400 1.00 0.00 O ATOM 677 CB LEU A 44 5.392 -10.788 -1.094 1.00 0.00 C ATOM 678 CG LEU A 44 6.404 -11.866 -0.698 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.750 -12.937 0.177 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.076 -12.467 -1.935 1.00 0.00 C ATOM 0 H LEU A 44 7.435 -9.514 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 44 6.196 -10.129 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.986 -10.347 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.563 -11.269 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 44 7.187 -11.398 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.491 -13.691 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.358 -12.476 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.935 -13.408 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.790 -13.230 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.319 -12.917 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.598 -11.682 -2.483 1.00 0.00 H new ATOM 692 N ILE A 45 4.632 -7.741 -1.302 1.00 0.00 N ATOM 693 CA ILE A 45 3.666 -6.667 -1.460 1.00 0.00 C ATOM 694 C ILE A 45 4.060 -5.805 -2.661 1.00 0.00 C ATOM 695 O ILE A 45 3.284 -5.655 -3.603 1.00 0.00 O ATOM 696 CB ILE A 45 3.525 -5.878 -0.156 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.942 -6.754 0.955 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.704 -4.605 -0.372 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.076 -6.072 2.318 1.00 0.00 C ATOM 0 H ILE A 45 5.079 -7.782 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 45 2.676 -7.072 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 45 4.520 -5.570 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.891 -6.958 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.456 -7.715 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.619 -4.063 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.199 -3.974 -1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.709 -4.870 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.654 -6.716 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.129 -5.891 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.540 -5.123 2.304 1.00 0.00 H new ATOM 711 N TYR A 46 5.266 -5.262 -2.588 1.00 0.00 N ATOM 712 CA TYR A 46 5.773 -4.418 -3.658 1.00 0.00 C ATOM 713 C TYR A 46 5.703 -5.141 -5.005 1.00 0.00 C ATOM 714 O TYR A 46 4.998 -4.703 -5.912 1.00 0.00 O ATOM 715 CB TYR A 46 7.238 -4.140 -3.317 1.00 0.00 C ATOM 716 CG TYR A 46 7.440 -2.973 -2.348 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.138 -1.686 -2.744 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.925 -3.208 -1.077 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.328 -0.588 -1.832 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.116 -2.110 -0.165 1.00 0.00 C ATOM 721 CZ TYR A 46 7.808 -0.855 -0.587 1.00 0.00 C ATOM 722 OH TYR A 46 7.988 0.182 0.275 1.00 0.00 O ATOM 0 H TYR A 46 5.907 -5.390 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 46 5.183 -3.505 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.677 -5.039 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.782 -3.932 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.759 -1.502 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.161 -4.215 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.095 0.424 -2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.495 -2.280 0.832 1.00 0.00 H new ATOM 0 HH TYR A 46 8.736 -0.018 0.875 1.00 0.00 H new ATOM 732 N GLN A 47 6.445 -6.235 -5.092 1.00 0.00 N ATOM 733 CA GLN A 47 6.476 -7.022 -6.313 1.00 0.00 C ATOM 734 C GLN A 47 5.068 -7.151 -6.898 1.00 0.00 C ATOM 735 O GLN A 47 4.849 -6.845 -8.069 1.00 0.00 O ATOM 736 CB GLN A 47 7.093 -8.400 -6.062 1.00 0.00 C ATOM 737 CG GLN A 47 8.452 -8.526 -6.753 1.00 0.00 C ATOM 738 CD GLN A 47 8.290 -8.586 -8.273 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.369 -8.030 -8.848 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.234 -9.292 -8.890 1.00 0.00 N ATOM 0 H GLN A 47 7.029 -6.595 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 47 7.104 -6.505 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.210 -8.560 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.421 -9.176 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.081 -7.677 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.961 -9.424 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.978 -9.732 -8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.214 -9.393 -9.905 1.00 0.00 H new ATOM 749 N THR A 48 4.151 -7.603 -6.056 1.00 0.00 N ATOM 750 CA THR A 48 2.771 -7.776 -6.475 1.00 0.00 C ATOM 751 C THR A 48 2.204 -6.456 -7.001 1.00 0.00 C ATOM 752 O THR A 48 1.947 -6.318 -8.196 1.00 0.00 O ATOM 753 CB THR A 48 1.985 -8.347 -5.293 1.00 0.00 C ATOM 754 OG1 THR A 48 2.360 -9.721 -5.257 1.00 0.00 O ATOM 755 CG2 THR A 48 0.478 -8.378 -5.551 1.00 0.00 C ATOM 0 H THR A 48 4.337 -7.855 -5.085 1.00 0.00 H new ATOM 0 HA THR A 48 2.695 -8.480 -7.304 1.00 0.00 H new ATOM 0 HB THR A 48 2.188 -7.752 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.126 -9.835 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.032 -8.792 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.119 -7.365 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.271 -8.999 -6.422 1.00 0.00 H new ATOM 763 N LEU A 49 2.026 -5.518 -6.082 1.00 0.00 N ATOM 764 CA LEU A 49 1.494 -4.213 -6.438 1.00 0.00 C ATOM 765 C LEU A 49 2.223 -3.691 -7.677 1.00 0.00 C ATOM 766 O LEU A 49 1.683 -2.875 -8.423 1.00 0.00 O ATOM 767 CB LEU A 49 1.559 -3.263 -5.240 1.00 0.00 C ATOM 768 CG LEU A 49 0.815 -3.717 -3.983 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.963 -2.691 -2.858 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.652 -4.021 -4.293 1.00 0.00 C ATOM 0 H LEU A 49 2.241 -5.636 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 49 0.438 -4.290 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.606 -3.107 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.159 -2.296 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 49 1.268 -4.645 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.425 -3.038 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.018 -2.568 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.552 -1.735 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.158 -4.342 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.136 -3.124 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.710 -4.814 -5.038 1.00 0.00 H new ATOM 782 N SER A 50 3.440 -4.182 -7.860 1.00 0.00 N ATOM 783 CA SER A 50 4.249 -3.775 -8.996 1.00 0.00 C ATOM 784 C SER A 50 3.475 -4.000 -10.297 1.00 0.00 C ATOM 785 O SER A 50 3.521 -3.169 -11.202 1.00 0.00 O ATOM 786 CB SER A 50 5.575 -4.537 -9.029 1.00 0.00 C ATOM 787 OG SER A 50 6.640 -3.735 -9.534 1.00 0.00 O ATOM 0 H SER A 50 3.886 -4.858 -7.240 1.00 0.00 H new ATOM 0 HA SER A 50 4.474 -2.713 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.823 -4.877 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.466 -5.427 -9.649 1.00 0.00 H new ATOM 0 HG SER A 50 7.469 -4.257 -9.537 1.00 0.00 H new ATOM 793 N TRP A 51 2.783 -5.128 -10.348 1.00 0.00 N ATOM 794 CA TRP A 51 2.000 -5.473 -11.523 1.00 0.00 C ATOM 795 C TRP A 51 0.519 -5.375 -11.150 1.00 0.00 C ATOM 796 O TRP A 51 -0.318 -5.065 -11.995 1.00 0.00 O ATOM 797 CB TRP A 51 2.392 -6.852 -12.058 1.00 0.00 C ATOM 798 CG TRP A 51 2.511 -7.928 -10.976 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.606 -8.299 -10.299 1.00 0.00 C ATOM 800 CD2 TRP A 51 1.447 -8.762 -10.472 1.00 0.00 C ATOM 801 NE1 TRP A 51 3.327 -9.307 -9.399 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.972 -9.598 -9.508 1.00 0.00 C ATOM 803 CE3 TRP A 51 0.085 -8.810 -10.820 1.00 0.00 C ATOM 804 CZ2 TRP A 51 1.207 -10.541 -8.811 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -0.666 -9.758 -10.115 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.152 -10.606 -9.142 1.00 0.00 C ATOM 0 H TRP A 51 2.748 -5.815 -9.595 1.00 0.00 H new ATOM 0 HA TRP A 51 2.201 -4.777 -12.338 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.652 -7.170 -12.792 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.345 -6.770 -12.581 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.584 -7.864 -10.440 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.992 -9.756 -8.770 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.347 -8.166 -11.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.641 -11.183 -8.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -1.719 -9.836 -10.344 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.798 -11.313 -8.643 1.00 0.00 H new ATOM 817 N LYS A 52 0.242 -5.646 -9.883 1.00 0.00 N ATOM 818 CA LYS A 52 -1.123 -5.592 -9.388 1.00 0.00 C ATOM 819 C LYS A 52 -1.637 -4.154 -9.477 1.00 0.00 C ATOM 820 O LYS A 52 -2.797 -3.926 -9.818 1.00 0.00 O ATOM 821 CB LYS A 52 -1.207 -6.189 -7.981 1.00 0.00 C ATOM 822 CG LYS A 52 -1.551 -7.679 -8.037 1.00 0.00 C ATOM 823 CD LYS A 52 -2.529 -8.058 -6.923 1.00 0.00 C ATOM 824 CE LYS A 52 -3.964 -8.118 -7.450 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.520 -9.480 -7.285 1.00 0.00 N ATOM 0 H LYS A 52 0.939 -5.904 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.777 -6.204 -10.009 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.256 -6.051 -7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.963 -5.659 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.988 -7.919 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.640 -8.270 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.251 -9.025 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.465 -7.330 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.584 -7.398 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.983 -7.836 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.095 -9.724 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.742 -10.163 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.115 -9.511 -6.432 1.00 0.00 H new ATOM 839 N TYR A 53 -0.749 -3.222 -9.165 1.00 0.00 N ATOM 840 CA TYR A 53 -1.099 -1.812 -9.206 1.00 0.00 C ATOM 841 C TYR A 53 0.132 -0.950 -9.497 1.00 0.00 C ATOM 842 O TYR A 53 0.711 -0.362 -8.585 1.00 0.00 O ATOM 843 CB TYR A 53 -1.629 -1.468 -7.813 1.00 0.00 C ATOM 844 CG TYR A 53 -2.858 -2.280 -7.397 1.00 0.00 C ATOM 845 CD1 TYR A 53 -2.699 -3.495 -6.761 1.00 0.00 C ATOM 846 CD2 TYR A 53 -4.124 -1.798 -7.658 1.00 0.00 C ATOM 847 CE1 TYR A 53 -3.856 -4.259 -6.370 1.00 0.00 C ATOM 848 CE2 TYR A 53 -5.281 -2.562 -7.267 1.00 0.00 C ATOM 849 CZ TYR A 53 -5.089 -3.755 -6.642 1.00 0.00 C ATOM 850 OH TYR A 53 -6.181 -4.477 -6.273 1.00 0.00 O ATOM 0 H TYR A 53 0.212 -3.415 -8.883 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.831 -1.621 -9.991 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.835 -1.629 -7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.879 -0.408 -7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.708 -3.872 -6.557 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.248 -0.848 -8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.746 -5.211 -5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.278 -2.196 -7.465 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.994 -3.994 -6.530 1.00 0.00 H new ATOM 860 N PRO A 54 0.503 -0.902 -10.804 1.00 0.00 N ATOM 861 CA PRO A 54 1.654 -0.122 -11.226 1.00 0.00 C ATOM 862 C PRO A 54 1.333 1.374 -11.227 1.00 0.00 C ATOM 863 O PRO A 54 2.065 2.170 -10.641 1.00 0.00 O ATOM 864 CB PRO A 54 2.005 -0.654 -12.606 1.00 0.00 C ATOM 865 CG PRO A 54 0.766 -1.384 -13.099 1.00 0.00 C ATOM 866 CD PRO A 54 -0.160 -1.586 -11.910 1.00 0.00 C ATOM 0 HA PRO A 54 2.501 -0.222 -10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.274 0.158 -13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.862 -1.326 -12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.267 -0.807 -13.878 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.038 -2.344 -13.539 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.147 -1.165 -12.101 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.301 -2.645 -11.693 1.00 0.00 H new ATOM 874 N LYS A 55 0.237 1.711 -11.891 1.00 0.00 N ATOM 875 CA LYS A 55 -0.191 3.097 -11.975 1.00 0.00 C ATOM 876 C LYS A 55 -1.596 3.230 -11.384 1.00 0.00 C ATOM 877 O LYS A 55 -2.555 2.681 -11.924 1.00 0.00 O ATOM 878 CB LYS A 55 -0.078 3.606 -13.414 1.00 0.00 C ATOM 879 CG LYS A 55 -0.933 2.762 -14.362 1.00 0.00 C ATOM 880 CD LYS A 55 -0.092 2.217 -15.518 1.00 0.00 C ATOM 881 CE LYS A 55 -0.150 3.153 -16.727 1.00 0.00 C ATOM 882 NZ LYS A 55 1.170 3.221 -17.393 1.00 0.00 N ATOM 0 H LYS A 55 -0.368 1.048 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 55 0.465 3.735 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.396 4.647 -13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.964 3.576 -13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.383 1.935 -13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.751 3.366 -14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.942 2.098 -15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.454 1.229 -15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.902 2.800 -17.432 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.455 4.150 -16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.113 3.860 -18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.879 3.579 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.446 2.271 -17.714 1.00 0.00 H new ATOM 896 N GLY A 56 -1.673 3.961 -10.282 1.00 0.00 N ATOM 897 CA GLY A 56 -2.945 4.173 -9.612 1.00 0.00 C ATOM 898 C GLY A 56 -2.739 4.448 -8.121 1.00 0.00 C ATOM 899 O GLY A 56 -3.500 5.201 -7.514 1.00 0.00 O ATOM 0 H GLY A 56 -0.875 4.414 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.467 5.012 -10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.578 3.295 -9.740 1.00 0.00 H new ATOM 903 N ILE A 57 -1.708 3.823 -7.573 1.00 0.00 N ATOM 904 CA ILE A 57 -1.393 3.991 -6.164 1.00 0.00 C ATOM 905 C ILE A 57 0.108 4.244 -6.008 1.00 0.00 C ATOM 906 O ILE A 57 0.879 4.021 -6.941 1.00 0.00 O ATOM 907 CB ILE A 57 -1.903 2.797 -5.355 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.638 1.482 -6.092 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.381 2.967 -4.999 1.00 0.00 C ATOM 910 CD1 ILE A 57 -0.149 1.317 -6.401 1.00 0.00 C ATOM 0 H ILE A 57 -1.079 3.199 -8.079 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.907 4.863 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.349 2.758 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.982 0.645 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.210 1.459 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.718 2.105 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.511 3.872 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.969 3.046 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.012 0.375 -6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.186 2.143 -7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.418 1.316 -5.470 1.00 0.00 H new ATOM 922 N HIS A 58 0.478 4.705 -4.823 1.00 0.00 N ATOM 923 CA HIS A 58 1.873 4.991 -4.533 1.00 0.00 C ATOM 924 C HIS A 58 2.270 4.323 -3.214 1.00 0.00 C ATOM 925 O HIS A 58 1.846 4.755 -2.143 1.00 0.00 O ATOM 926 CB HIS A 58 2.131 6.499 -4.535 1.00 0.00 C ATOM 927 CG HIS A 58 3.335 6.917 -3.726 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.531 7.301 -4.307 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.515 7.008 -2.377 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.386 7.606 -3.341 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.754 7.424 -2.146 1.00 0.00 N ATOM 0 H HIS A 58 -0.164 4.888 -4.052 1.00 0.00 H new ATOM 0 HA HIS A 58 2.504 4.573 -5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.264 6.833 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.250 7.009 -4.146 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.722 7.342 -5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.775 6.780 -1.624 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.404 7.940 -3.476 1.00 0.00 H new ATOM 939 N VAL A 59 3.078 3.280 -3.336 1.00 0.00 N ATOM 940 CA VAL A 59 3.537 2.549 -2.168 1.00 0.00 C ATOM 941 C VAL A 59 4.878 3.124 -1.705 1.00 0.00 C ATOM 942 O VAL A 59 5.788 3.312 -2.511 1.00 0.00 O ATOM 943 CB VAL A 59 3.605 1.053 -2.480 1.00 0.00 C ATOM 944 CG1 VAL A 59 3.940 0.245 -1.224 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.300 0.566 -3.113 1.00 0.00 C ATOM 0 H VAL A 59 3.426 2.924 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 59 2.832 2.664 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 59 4.407 0.897 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.982 -0.815 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.906 0.564 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.171 0.410 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.374 -0.501 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.474 0.742 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.121 1.109 -4.041 1.00 0.00 H new ATOM 955 N GLU A 60 4.956 3.388 -0.409 1.00 0.00 N ATOM 956 CA GLU A 60 6.170 3.938 0.170 1.00 0.00 C ATOM 957 C GLU A 60 6.474 3.260 1.508 1.00 0.00 C ATOM 958 O GLU A 60 5.615 2.589 2.077 1.00 0.00 O ATOM 959 CB GLU A 60 6.060 5.455 0.337 1.00 0.00 C ATOM 960 CG GLU A 60 4.706 5.844 0.933 1.00 0.00 C ATOM 961 CD GLU A 60 4.779 5.914 2.460 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.115 4.871 3.061 1.00 0.00 O ATOM 963 OE2 GLU A 60 4.498 7.010 2.992 1.00 0.00 O ATOM 0 H GLU A 60 4.199 3.231 0.256 1.00 0.00 H new ATOM 0 HA GLU A 60 6.997 3.740 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.862 5.812 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.189 5.941 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.394 6.810 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.951 5.117 0.634 1.00 0.00 H new ATOM 970 N THR A 61 7.700 3.459 1.970 1.00 0.00 N ATOM 971 CA THR A 61 8.128 2.876 3.230 1.00 0.00 C ATOM 972 C THR A 61 8.492 3.975 4.230 1.00 0.00 C ATOM 973 O THR A 61 9.293 4.857 3.925 1.00 0.00 O ATOM 974 CB THR A 61 9.281 1.914 2.938 1.00 0.00 C ATOM 975 OG1 THR A 61 8.635 0.715 2.518 1.00 0.00 O ATOM 976 CG2 THR A 61 10.038 1.505 4.203 1.00 0.00 C ATOM 0 H THR A 61 8.410 4.016 1.494 1.00 0.00 H new ATOM 0 HA THR A 61 7.323 2.309 3.697 1.00 0.00 H new ATOM 0 HB THR A 61 9.973 2.380 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.963 0.927 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.846 0.822 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.454 2.392 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.354 1.009 4.892 1.00 0.00 H new ATOM 1127 N HIS A 70 7.231 0.571 8.080 1.00 0.00 N ATOM 1128 CA HIS A 70 5.943 0.012 7.707 1.00 0.00 C ATOM 1129 C HIS A 70 5.578 0.463 6.291 1.00 0.00 C ATOM 1130 O HIS A 70 5.941 1.561 5.873 1.00 0.00 O ATOM 1131 CB HIS A 70 4.873 0.375 8.738 1.00 0.00 C ATOM 1132 CG HIS A 70 4.161 1.676 8.453 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.832 1.889 8.774 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.607 2.827 7.874 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.503 3.117 8.400 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.604 3.697 7.842 1.00 0.00 N ATOM 0 HA HIS A 70 6.004 -1.076 7.701 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.137 -0.428 8.781 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.337 0.435 9.722 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.211 1.215 9.222 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.607 3.002 7.504 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.533 3.578 8.517 1.00 0.00 H new ATOM 1144 N ILE A 71 4.865 -0.408 5.592 1.00 0.00 N ATOM 1145 CA ILE A 71 4.448 -0.113 4.232 1.00 0.00 C ATOM 1146 C ILE A 71 3.199 0.769 4.266 1.00 0.00 C ATOM 1147 O ILE A 71 2.278 0.518 5.042 1.00 0.00 O ATOM 1148 CB ILE A 71 4.265 -1.407 3.435 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.615 -1.964 2.977 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.304 -1.197 2.263 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.470 -3.397 2.461 1.00 0.00 C ATOM 0 H ILE A 71 4.566 -1.318 5.942 1.00 0.00 H new ATOM 0 HA ILE A 71 5.222 0.450 3.710 1.00 0.00 H new ATOM 0 HB ILE A 71 3.815 -2.152 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.026 -1.330 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.322 -1.942 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.191 -2.131 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.332 -0.879 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.703 -0.431 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.444 -3.769 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.082 -4.033 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.781 -3.412 1.616 1.00 0.00 H new ATOM 1163 N VAL A 72 3.207 1.785 3.416 1.00 0.00 N ATOM 1164 CA VAL A 72 2.086 2.707 3.339 1.00 0.00 C ATOM 1165 C VAL A 72 1.774 3.002 1.871 1.00 0.00 C ATOM 1166 O VAL A 72 2.683 3.140 1.055 1.00 0.00 O ATOM 1167 CB VAL A 72 2.388 3.967 4.152 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.718 5.194 3.530 1.00 0.00 C ATOM 1169 CG2 VAL A 72 1.966 3.793 5.612 1.00 0.00 C ATOM 0 H VAL A 72 3.973 1.990 2.774 1.00 0.00 H new ATOM 0 HA VAL A 72 1.193 2.261 3.777 1.00 0.00 H new ATOM 0 HB VAL A 72 3.466 4.127 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.948 6.076 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.089 5.336 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.639 5.045 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.192 4.703 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.895 3.595 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.510 2.956 6.051 1.00 0.00 H new ATOM 1179 N ILE A 73 0.484 3.090 1.580 1.00 0.00 N ATOM 1180 CA ILE A 73 0.041 3.367 0.224 1.00 0.00 C ATOM 1181 C ILE A 73 -0.613 4.750 0.178 1.00 0.00 C ATOM 1182 O ILE A 73 -1.076 5.256 1.199 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.864 2.242 -0.284 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.081 0.937 -0.440 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.567 2.648 -1.581 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.067 0.222 0.904 1.00 0.00 C ATOM 0 H ILE A 73 -0.268 2.974 2.260 1.00 0.00 H new ATOM 0 HA ILE A 73 0.892 3.393 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.640 2.064 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.592 0.285 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.905 1.148 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.204 1.831 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.177 3.534 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.822 2.869 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.627 -0.702 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.600 0.867 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.920 -0.009 1.304 1.00 0.00 H new ATOM 1198 N SER A 74 -0.630 5.322 -1.017 1.00 0.00 N ATOM 1199 CA SER A 74 -1.219 6.636 -1.209 1.00 0.00 C ATOM 1200 C SER A 74 -2.066 6.648 -2.484 1.00 0.00 C ATOM 1201 O SER A 74 -1.911 5.783 -3.344 1.00 0.00 O ATOM 1202 CB SER A 74 -0.139 7.718 -1.279 1.00 0.00 C ATOM 1203 OG SER A 74 -0.410 8.677 -2.297 1.00 0.00 O ATOM 0 H SER A 74 -0.245 4.899 -1.862 1.00 0.00 H new ATOM 0 HA SER A 74 -1.858 6.853 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.068 8.222 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.829 7.253 -1.467 1.00 0.00 H new ATOM 0 HG SER A 74 0.301 9.351 -2.309 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.942 7.638 -2.563 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.814 7.775 -3.718 1.00 0.00 C ATOM 1211 C LYS A 75 -3.062 8.498 -4.837 1.00 0.00 C ATOM 1212 O LYS A 75 -2.559 9.603 -4.638 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.127 8.453 -3.321 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.172 7.418 -2.899 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.571 8.038 -2.856 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.572 7.186 -3.637 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.886 7.864 -3.709 1.00 0.00 N ATOM 0 H LYS A 75 -3.067 8.353 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.093 6.794 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.948 9.149 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.507 9.038 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.163 6.581 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.917 7.018 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.899 8.133 -1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.540 9.044 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.195 7.003 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.684 6.214 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.554 7.272 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.251 8.017 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.778 8.781 -4.188 1.00 0.00 H new ATOM 1231 N VAL A 76 -3.009 7.846 -5.989 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.327 8.413 -7.139 1.00 0.00 C ATOM 1233 C VAL A 76 -3.300 8.491 -8.317 1.00 0.00 C ATOM 1234 O VAL A 76 -4.383 7.908 -8.271 1.00 0.00 O ATOM 1235 CB VAL A 76 -1.069 7.601 -7.455 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.368 8.139 -8.704 1.00 0.00 C ATOM 1237 CG2 VAL A 76 -0.116 7.577 -6.259 1.00 0.00 C ATOM 0 H VAL A 76 -3.428 6.930 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.996 9.429 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.376 6.575 -7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.523 7.544 -8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.045 8.079 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.081 9.178 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.769 6.993 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.180 8.596 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.617 7.125 -5.403 1.00 0.00 H new