USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -4.39 K(o=-5.7,f=-3.7!) USER MOD Set 1.2: A 130 ASN : amide:sc= -1.33 K(o=-5.7,f=-3.1) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0.986 USER MOD Set 2.2: A 81 THR OG1 : rot -66:sc= 0.984 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 136:sc= 0.231 (180deg=-0.914) USER MOD Single : A 14 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 177:sc= -1.35 USER MOD Single : A 26 THR OG1 : rot -101:sc= 1.08 USER MOD Single : A 27 SER OG : rot -1:sc= -1.07 USER MOD Single : A 35 MET CE :methyl -117:sc= -3.75! (180deg=-8.09!) USER MOD Single : A 37 ASN : amide:sc= -1.4 K(o=-1.4,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-3!) USER MOD Single : A 46 HIS : no HD1:sc= 0.283 K(o=0.28,f=-1.6!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 51 SER OG : rot -74:sc= 0.636 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 23:sc= -0.837 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -90:sc= 1.13 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.0073) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 91 THR OG1 : rot 97:sc= 0.96 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -1.958 8.814 -7.291 1.00 0.00 N ATOM 102 CA ILE A 7 -2.305 8.852 -5.880 1.00 0.00 C ATOM 103 C ILE A 7 -1.045 8.623 -5.043 1.00 0.00 C ATOM 104 O ILE A 7 -0.950 7.637 -4.315 1.00 0.00 O ATOM 105 CB ILE A 7 -3.432 7.861 -5.579 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.736 8.293 -6.253 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.602 7.667 -4.071 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.775 7.171 -6.205 1.00 0.00 C ATOM 0 HA ILE A 7 -2.694 9.834 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.158 6.893 -5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.130 9.180 -5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.540 8.568 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.409 6.958 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.675 7.281 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.844 8.623 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.692 7.504 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.388 6.294 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.986 6.915 -5.167 1.00 0.00 H new ATOM 120 N LYS A 8 -0.109 9.552 -5.175 1.00 0.00 N ATOM 121 CA LYS A 8 1.141 9.464 -4.440 1.00 0.00 C ATOM 122 C LYS A 8 0.955 10.077 -3.050 1.00 0.00 C ATOM 123 O LYS A 8 0.427 11.180 -2.920 1.00 0.00 O ATOM 124 CB LYS A 8 2.280 10.095 -5.242 1.00 0.00 C ATOM 125 CG LYS A 8 3.473 10.420 -4.340 1.00 0.00 C ATOM 126 CD LYS A 8 4.570 11.145 -5.122 1.00 0.00 C ATOM 127 CE LYS A 8 5.333 10.173 -6.025 1.00 0.00 C ATOM 128 NZ LYS A 8 6.420 9.510 -5.271 1.00 0.00 N ATOM 0 H LYS A 8 -0.192 10.369 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 8 1.424 8.422 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.593 9.414 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.927 11.006 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.145 11.041 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.873 9.500 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.128 11.937 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.262 11.622 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.649 9.424 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.749 10.710 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.928 8.854 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.082 10.228 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.016 8.982 -4.472 1.00 0.00 H new ATOM 142 N LYS A 9 1.398 9.334 -2.047 1.00 0.00 N ATOM 143 CA LYS A 9 1.287 9.791 -0.672 1.00 0.00 C ATOM 144 C LYS A 9 2.611 9.539 0.054 1.00 0.00 C ATOM 145 O LYS A 9 3.494 8.866 -0.475 1.00 0.00 O ATOM 146 CB LYS A 9 0.080 9.146 0.011 1.00 0.00 C ATOM 147 CG LYS A 9 -1.139 10.070 -0.042 1.00 0.00 C ATOM 148 CD LYS A 9 -2.137 9.601 -1.101 1.00 0.00 C ATOM 149 CE LYS A 9 -3.133 10.711 -1.446 1.00 0.00 C ATOM 150 NZ LYS A 9 -2.427 11.881 -2.014 1.00 0.00 N ATOM 0 H LYS A 9 1.834 8.419 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 9 1.106 10.865 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.155 8.200 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.324 8.919 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.624 10.095 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.819 11.088 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.602 9.295 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.675 8.725 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.868 10.340 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.680 11.008 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.949 12.234 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.367 12.632 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.468 11.601 -2.304 1.00 0.00 H new ATOM 164 N GLU A 10 2.706 10.092 1.253 1.00 0.00 N ATOM 165 CA GLU A 10 3.907 9.936 2.057 1.00 0.00 C ATOM 166 C GLU A 10 3.569 10.051 3.544 1.00 0.00 C ATOM 167 O GLU A 10 2.823 10.941 3.948 1.00 0.00 O ATOM 168 CB GLU A 10 4.972 10.959 1.656 1.00 0.00 C ATOM 169 CG GLU A 10 6.287 10.699 2.393 1.00 0.00 C ATOM 170 CD GLU A 10 6.433 11.632 3.597 1.00 0.00 C ATOM 171 OE1 GLU A 10 5.722 11.386 4.595 1.00 0.00 O ATOM 172 OE2 GLU A 10 7.254 12.569 3.493 1.00 0.00 O ATOM 0 H GLU A 10 1.971 10.649 1.688 1.00 0.00 H new ATOM 0 HA GLU A 10 4.317 8.943 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.139 10.913 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.618 11.965 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.323 9.662 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.125 10.845 1.712 1.00 0.00 H new ATOM 179 N VAL A 11 4.135 9.137 4.319 1.00 0.00 N ATOM 180 CA VAL A 11 3.903 9.125 5.754 1.00 0.00 C ATOM 181 C VAL A 11 5.183 8.690 6.469 1.00 0.00 C ATOM 182 O VAL A 11 5.925 7.847 5.965 1.00 0.00 O ATOM 183 CB VAL A 11 2.703 8.234 6.082 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.389 8.933 5.727 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.813 6.882 5.374 1.00 0.00 C ATOM 0 H VAL A 11 4.753 8.400 3.981 1.00 0.00 H new ATOM 0 HA VAL A 11 3.656 10.125 6.110 1.00 0.00 H new ATOM 0 HB VAL A 11 2.706 8.050 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.552 8.279 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.304 9.858 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.374 9.161 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.947 6.269 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.848 7.038 4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.722 6.375 5.697 1.00 0.00 H new ATOM 195 N ARG A 12 5.404 9.284 7.632 1.00 0.00 N ATOM 196 CA ARG A 12 6.582 8.969 8.422 1.00 0.00 C ATOM 197 C ARG A 12 6.183 8.220 9.695 1.00 0.00 C ATOM 198 O ARG A 12 5.130 8.486 10.272 1.00 0.00 O ATOM 199 CB ARG A 12 7.346 10.239 8.804 1.00 0.00 C ATOM 200 CG ARG A 12 6.631 10.991 9.928 1.00 0.00 C ATOM 201 CD ARG A 12 6.716 12.504 9.715 1.00 0.00 C ATOM 202 NE ARG A 12 5.470 13.152 10.184 1.00 0.00 N ATOM 203 CZ ARG A 12 5.211 14.460 10.057 1.00 0.00 C ATOM 204 NH1 ARG A 12 6.108 15.268 9.476 1.00 0.00 N ATOM 205 NH2 ARG A 12 4.053 14.960 10.511 1.00 0.00 N ATOM 0 H ARG A 12 4.787 9.982 8.047 1.00 0.00 H new ATOM 0 HA ARG A 12 7.230 8.338 7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.356 9.979 9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.442 10.886 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.586 10.684 9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.078 10.729 10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.572 12.908 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.874 12.723 8.659 1.00 0.00 H new ATOM 0 HE ARG A 12 4.765 12.566 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.989 14.887 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.910 16.264 9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.370 14.345 10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.855 15.956 10.415 1.00 0.00 H new ATOM 219 N PHE A 13 7.046 7.298 10.097 1.00 0.00 N ATOM 220 CA PHE A 13 6.796 6.509 11.291 1.00 0.00 C ATOM 221 C PHE A 13 8.004 6.538 12.230 1.00 0.00 C ATOM 222 O PHE A 13 9.144 6.635 11.778 1.00 0.00 O ATOM 223 CB PHE A 13 6.556 5.069 10.833 1.00 0.00 C ATOM 224 CG PHE A 13 5.403 4.916 9.839 1.00 0.00 C ATOM 225 CD1 PHE A 13 4.291 5.688 9.964 1.00 0.00 C ATOM 226 CD2 PHE A 13 5.491 4.008 8.830 1.00 0.00 C ATOM 227 CE1 PHE A 13 3.221 5.546 9.041 1.00 0.00 C ATOM 228 CE2 PHE A 13 4.421 3.866 7.908 1.00 0.00 C ATOM 229 CZ PHE A 13 3.309 4.638 8.032 1.00 0.00 C ATOM 0 H PHE A 13 7.919 7.080 9.617 1.00 0.00 H new ATOM 0 HA PHE A 13 5.940 6.913 11.831 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.469 4.687 10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.353 4.450 11.707 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.221 6.409 10.765 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.375 3.395 8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.337 6.159 9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.490 3.144 7.108 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.496 4.530 7.330 1.00 0.00 H new ATOM 239 N ASN A 14 7.713 6.453 13.520 1.00 0.00 N ATOM 240 CA ASN A 14 8.760 6.469 14.526 1.00 0.00 C ATOM 241 C ASN A 14 9.120 5.031 14.904 1.00 0.00 C ATOM 242 O ASN A 14 8.444 4.413 15.726 1.00 0.00 O ATOM 243 CB ASN A 14 8.296 7.189 15.794 1.00 0.00 C ATOM 244 CG ASN A 14 9.311 8.249 16.225 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.194 8.640 15.480 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.136 8.692 17.467 1.00 0.00 N ATOM 0 H ASN A 14 6.766 6.373 13.891 1.00 0.00 H new ATOM 0 HA ASN A 14 9.620 6.993 14.109 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.328 7.658 15.617 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.157 6.465 16.597 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.762 9.402 17.848 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.376 8.322 18.038 1.00 0.00 H new ATOM 253 N ALA A 15 10.184 4.539 14.287 1.00 0.00 N ATOM 254 CA ALA A 15 10.642 3.185 14.548 1.00 0.00 C ATOM 255 C ALA A 15 11.729 2.814 13.537 1.00 0.00 C ATOM 256 O ALA A 15 12.023 3.586 12.626 1.00 0.00 O ATOM 257 CB ALA A 15 9.451 2.225 14.502 1.00 0.00 C ATOM 0 H ALA A 15 10.743 5.054 13.607 1.00 0.00 H new ATOM 0 HA ALA A 15 11.080 3.114 15.544 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.795 1.209 14.698 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.722 2.514 15.259 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.987 2.267 13.516 1.00 0.00 H new ATOM 263 N PRO A 16 12.311 1.601 13.738 1.00 0.00 N ATOM 264 CA PRO A 16 13.359 1.119 12.855 1.00 0.00 C ATOM 265 C PRO A 16 12.779 0.658 11.516 1.00 0.00 C ATOM 266 O PRO A 16 11.814 -0.104 11.483 1.00 0.00 O ATOM 267 CB PRO A 16 14.038 -0.001 13.625 1.00 0.00 C ATOM 268 CG PRO A 16 13.057 -0.415 14.710 1.00 0.00 C ATOM 269 CD PRO A 16 11.988 0.661 14.807 1.00 0.00 C ATOM 0 HA PRO A 16 14.077 1.896 12.592 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.272 -0.840 12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.979 0.337 14.058 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.608 -1.379 14.471 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.570 -0.531 15.665 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.991 0.241 14.677 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.004 1.149 15.782 1.00 0.00 H new ATOM 277 N ILE A 17 13.392 1.139 10.445 1.00 0.00 N ATOM 278 CA ILE A 17 12.949 0.786 9.107 1.00 0.00 C ATOM 279 C ILE A 17 12.911 -0.737 8.972 1.00 0.00 C ATOM 280 O ILE A 17 12.101 -1.278 8.221 1.00 0.00 O ATOM 281 CB ILE A 17 13.819 1.475 8.054 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.236 1.289 6.652 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.269 0.993 8.141 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.540 2.498 5.766 1.00 0.00 C ATOM 0 H ILE A 17 14.192 1.771 10.476 1.00 0.00 H new ATOM 0 HA ILE A 17 11.935 1.147 8.935 1.00 0.00 H new ATOM 0 HB ILE A 17 13.822 2.545 8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.650 0.388 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.158 1.145 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.866 1.498 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.669 1.221 9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.305 -0.084 7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.114 2.339 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.104 3.393 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.619 2.625 5.681 1.00 0.00 H new ATOM 296 N GLU A 18 13.799 -1.387 9.711 1.00 0.00 N ATOM 297 CA GLU A 18 13.878 -2.837 9.684 1.00 0.00 C ATOM 298 C GLU A 18 12.518 -3.449 10.028 1.00 0.00 C ATOM 299 O GLU A 18 12.097 -4.424 9.407 1.00 0.00 O ATOM 300 CB GLU A 18 14.964 -3.345 10.634 1.00 0.00 C ATOM 301 CG GLU A 18 15.849 -4.388 9.947 1.00 0.00 C ATOM 302 CD GLU A 18 15.538 -5.795 10.462 1.00 0.00 C ATOM 303 OE1 GLU A 18 14.335 -6.130 10.507 1.00 0.00 O ATOM 304 OE2 GLU A 18 16.511 -6.504 10.798 1.00 0.00 O ATOM 0 H GLU A 18 14.470 -0.935 10.332 1.00 0.00 H new ATOM 0 HA GLU A 18 14.150 -3.148 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.576 -2.509 10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.502 -3.781 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.694 -4.349 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.899 -4.155 10.126 1.00 0.00 H new ATOM 311 N LYS A 19 11.870 -2.852 11.017 1.00 0.00 N ATOM 312 CA LYS A 19 10.567 -3.326 11.452 1.00 0.00 C ATOM 313 C LYS A 19 9.543 -3.081 10.342 1.00 0.00 C ATOM 314 O LYS A 19 8.874 -4.010 9.893 1.00 0.00 O ATOM 315 CB LYS A 19 10.185 -2.693 12.791 1.00 0.00 C ATOM 316 CG LYS A 19 9.097 -3.507 13.493 1.00 0.00 C ATOM 317 CD LYS A 19 9.113 -3.259 15.002 1.00 0.00 C ATOM 318 CE LYS A 19 8.410 -4.392 15.752 1.00 0.00 C ATOM 319 NZ LYS A 19 8.354 -4.098 17.202 1.00 0.00 N ATOM 0 H LYS A 19 12.223 -2.044 11.530 1.00 0.00 H new ATOM 0 HA LYS A 19 10.594 -4.401 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.065 -2.628 13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.834 -1.674 12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.121 -3.241 13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.247 -4.568 13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.143 -3.173 15.349 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.621 -2.312 15.224 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.400 -4.522 15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.940 -5.330 15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.874 -4.877 17.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.320 -3.996 17.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.829 -3.214 17.357 1.00 0.00 H new ATOM 333 N VAL A 20 9.454 -1.825 9.930 1.00 0.00 N ATOM 334 CA VAL A 20 8.523 -1.445 8.881 1.00 0.00 C ATOM 335 C VAL A 20 8.784 -2.301 7.640 1.00 0.00 C ATOM 336 O VAL A 20 7.848 -2.804 7.021 1.00 0.00 O ATOM 337 CB VAL A 20 8.630 0.056 8.605 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.614 0.492 7.546 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.460 0.864 9.893 1.00 0.00 C ATOM 0 H VAL A 20 10.012 -1.057 10.304 1.00 0.00 H new ATOM 0 HA VAL A 20 7.496 -1.632 9.195 1.00 0.00 H new ATOM 0 HB VAL A 20 9.628 0.255 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.711 1.563 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.801 -0.048 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.606 0.272 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.540 1.928 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.481 0.657 10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.237 0.583 10.604 1.00 0.00 H new ATOM 349 N TRP A 21 10.060 -2.440 7.314 1.00 0.00 N ATOM 350 CA TRP A 21 10.456 -3.227 6.158 1.00 0.00 C ATOM 351 C TRP A 21 9.895 -4.640 6.333 1.00 0.00 C ATOM 352 O TRP A 21 9.237 -5.166 5.437 1.00 0.00 O ATOM 353 CB TRP A 21 11.975 -3.205 5.973 1.00 0.00 C ATOM 354 CG TRP A 21 12.468 -4.022 4.778 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.381 -5.003 4.769 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.036 -3.888 3.407 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.568 -5.509 3.499 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.723 -4.809 2.644 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.094 -3.017 2.831 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.543 -4.948 1.263 1.00 0.00 C ATOM 361 CZ3 TRP A 21 10.926 -3.168 1.450 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.610 -4.090 0.668 1.00 0.00 C ATOM 0 H TRP A 21 10.834 -2.021 7.830 1.00 0.00 H new ATOM 0 HA TRP A 21 10.046 -2.801 5.243 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.301 -2.172 5.853 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.447 -3.585 6.879 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.905 -5.354 5.646 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.208 -6.258 3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.544 -2.289 3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.094 -5.677 0.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.214 -2.522 0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.423 -4.145 -0.394 1.00 0.00 H new ATOM 373 N GLU A 22 10.176 -5.214 7.494 1.00 0.00 N ATOM 374 CA GLU A 22 9.708 -6.555 7.798 1.00 0.00 C ATOM 375 C GLU A 22 8.178 -6.594 7.807 1.00 0.00 C ATOM 376 O GLU A 22 7.580 -7.648 7.597 1.00 0.00 O ATOM 377 CB GLU A 22 10.277 -7.045 9.131 1.00 0.00 C ATOM 378 CG GLU A 22 11.063 -8.345 8.947 1.00 0.00 C ATOM 379 CD GLU A 22 10.844 -9.290 10.130 1.00 0.00 C ATOM 380 OE1 GLU A 22 11.495 -9.056 11.171 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.032 -10.226 9.965 1.00 0.00 O ATOM 0 H GLU A 22 10.722 -4.774 8.235 1.00 0.00 H new ATOM 0 HA GLU A 22 10.064 -7.229 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.927 -6.280 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.465 -7.204 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.753 -8.834 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.125 -8.121 8.848 1.00 0.00 H new ATOM 388 N ALA A 23 7.590 -5.433 8.051 1.00 0.00 N ATOM 389 CA ALA A 23 6.142 -5.321 8.090 1.00 0.00 C ATOM 390 C ALA A 23 5.609 -5.154 6.666 1.00 0.00 C ATOM 391 O ALA A 23 4.434 -5.408 6.405 1.00 0.00 O ATOM 392 CB ALA A 23 5.743 -4.159 9.002 1.00 0.00 C ATOM 0 H ALA A 23 8.090 -4.561 8.224 1.00 0.00 H new ATOM 0 HA ALA A 23 5.699 -6.227 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.657 -4.076 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.120 -4.341 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.168 -3.232 8.617 1.00 0.00 H new ATOM 398 N VAL A 24 6.499 -4.727 5.782 1.00 0.00 N ATOM 399 CA VAL A 24 6.133 -4.522 4.391 1.00 0.00 C ATOM 400 C VAL A 24 6.858 -5.551 3.521 1.00 0.00 C ATOM 401 O VAL A 24 6.905 -5.413 2.299 1.00 0.00 O ATOM 402 CB VAL A 24 6.426 -3.078 3.979 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.849 -2.090 4.995 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.928 -2.856 3.791 1.00 0.00 C ATOM 0 H VAL A 24 7.473 -4.517 6.002 1.00 0.00 H new ATOM 0 HA VAL A 24 5.063 -4.674 4.252 1.00 0.00 H new ATOM 0 HB VAL A 24 5.938 -2.897 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.071 -1.071 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.769 -2.223 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.295 -2.272 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.109 -1.822 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.447 -3.064 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.300 -3.523 3.014 1.00 0.00 H new ATOM 414 N SER A 25 7.404 -6.559 4.184 1.00 0.00 N ATOM 415 CA SER A 25 8.125 -7.611 3.486 1.00 0.00 C ATOM 416 C SER A 25 7.404 -8.948 3.668 1.00 0.00 C ATOM 417 O SER A 25 7.421 -9.793 2.774 1.00 0.00 O ATOM 418 CB SER A 25 9.568 -7.714 3.984 1.00 0.00 C ATOM 419 OG SER A 25 9.655 -8.397 5.231 1.00 0.00 O ATOM 0 H SER A 25 7.362 -6.670 5.197 1.00 0.00 H new ATOM 0 HA SER A 25 8.153 -7.361 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.171 -8.237 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.988 -6.713 4.089 1.00 0.00 H new ATOM 0 HG SER A 25 10.596 -8.485 5.491 1.00 0.00 H new ATOM 425 N THR A 26 6.787 -9.098 4.831 1.00 0.00 N ATOM 426 CA THR A 26 6.061 -10.319 5.141 1.00 0.00 C ATOM 427 C THR A 26 4.579 -10.159 4.800 1.00 0.00 C ATOM 428 O THR A 26 4.091 -9.040 4.643 1.00 0.00 O ATOM 429 CB THR A 26 6.314 -10.658 6.611 1.00 0.00 C ATOM 430 OG1 THR A 26 5.976 -9.461 7.307 1.00 0.00 O ATOM 431 CG2 THR A 26 7.799 -10.861 6.919 1.00 0.00 C ATOM 0 H THR A 26 6.775 -8.395 5.570 1.00 0.00 H new ATOM 0 HA THR A 26 6.413 -11.154 4.535 1.00 0.00 H new ATOM 0 HB THR A 26 5.762 -11.560 6.875 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.795 -8.977 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.922 -11.099 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.187 -11.681 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.347 -9.948 6.687 1.00 0.00 H new ATOM 439 N SER A 27 3.902 -11.293 4.696 1.00 0.00 N ATOM 440 CA SER A 27 2.485 -11.293 4.377 1.00 0.00 C ATOM 441 C SER A 27 1.669 -10.929 5.619 1.00 0.00 C ATOM 442 O SER A 27 0.778 -10.083 5.554 1.00 0.00 O ATOM 443 CB SER A 27 2.043 -12.653 3.832 1.00 0.00 C ATOM 444 OG SER A 27 2.942 -13.150 2.844 1.00 0.00 O ATOM 0 H SER A 27 4.309 -12.219 4.827 1.00 0.00 H new ATOM 0 HA SER A 27 2.309 -10.547 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.975 -13.368 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.045 -12.565 3.403 1.00 0.00 H new ATOM 0 HG SER A 27 3.665 -12.503 2.704 1.00 0.00 H new ATOM 450 N GLU A 28 2.002 -11.585 6.720 1.00 0.00 N ATOM 451 CA GLU A 28 1.311 -11.341 7.975 1.00 0.00 C ATOM 452 C GLU A 28 1.456 -9.874 8.384 1.00 0.00 C ATOM 453 O GLU A 28 0.527 -9.285 8.936 1.00 0.00 O ATOM 454 CB GLU A 28 1.828 -12.270 9.076 1.00 0.00 C ATOM 455 CG GLU A 28 0.692 -13.111 9.662 1.00 0.00 C ATOM 456 CD GLU A 28 -0.213 -12.262 10.557 1.00 0.00 C ATOM 457 OE1 GLU A 28 -1.165 -11.671 10.004 1.00 0.00 O ATOM 458 OE2 GLU A 28 0.069 -12.224 11.774 1.00 0.00 O ATOM 0 H GLU A 28 2.742 -12.286 6.770 1.00 0.00 H new ATOM 0 HA GLU A 28 0.252 -11.556 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.599 -12.926 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.293 -11.680 9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.104 -13.548 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.107 -13.938 10.238 1.00 0.00 H new ATOM 465 N GLY A 29 2.627 -9.325 8.096 1.00 0.00 N ATOM 466 CA GLY A 29 2.905 -7.938 8.426 1.00 0.00 C ATOM 467 C GLY A 29 2.163 -6.990 7.482 1.00 0.00 C ATOM 468 O GLY A 29 1.725 -5.916 7.892 1.00 0.00 O ATOM 0 H GLY A 29 3.394 -9.816 7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.607 -7.739 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.977 -7.754 8.363 1.00 0.00 H new ATOM 472 N LEU A 30 2.045 -7.421 6.235 1.00 0.00 N ATOM 473 CA LEU A 30 1.364 -6.624 5.228 1.00 0.00 C ATOM 474 C LEU A 30 -0.148 -6.734 5.434 1.00 0.00 C ATOM 475 O LEU A 30 -0.836 -5.722 5.558 1.00 0.00 O ATOM 476 CB LEU A 30 1.825 -7.026 3.825 1.00 0.00 C ATOM 477 CG LEU A 30 2.782 -6.055 3.130 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.894 -6.811 2.401 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.022 -5.111 2.196 1.00 0.00 C ATOM 0 H LEU A 30 2.410 -8.312 5.898 1.00 0.00 H new ATOM 0 HA LEU A 30 1.625 -5.571 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.310 -8.000 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.944 -7.149 3.196 1.00 0.00 H new ATOM 0 HG LEU A 30 3.258 -5.438 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.561 -6.098 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.459 -7.407 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.455 -7.468 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.725 -4.431 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.501 -5.693 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.297 -4.535 2.772 1.00 0.00 H new ATOM 491 N ALA A 31 -0.620 -7.972 5.466 1.00 0.00 N ATOM 492 CA ALA A 31 -2.038 -8.227 5.655 1.00 0.00 C ATOM 493 C ALA A 31 -2.502 -7.564 6.954 1.00 0.00 C ATOM 494 O ALA A 31 -3.698 -7.363 7.159 1.00 0.00 O ATOM 495 CB ALA A 31 -2.291 -9.736 5.647 1.00 0.00 C ATOM 0 H ALA A 31 -0.046 -8.809 5.364 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.618 -7.795 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.355 -9.927 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.971 -10.153 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.727 -10.204 6.454 1.00 0.00 H new ATOM 501 N PHE A 32 -1.532 -7.244 7.797 1.00 0.00 N ATOM 502 CA PHE A 32 -1.826 -6.608 9.070 1.00 0.00 C ATOM 503 C PHE A 32 -2.440 -5.222 8.862 1.00 0.00 C ATOM 504 O PHE A 32 -3.077 -4.680 9.764 1.00 0.00 O ATOM 505 CB PHE A 32 -0.497 -6.458 9.812 1.00 0.00 C ATOM 506 CG PHE A 32 -0.585 -6.749 11.312 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.730 -6.473 11.992 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.481 -7.283 11.965 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.813 -6.743 13.383 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.399 -7.553 13.357 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.746 -7.277 14.036 1.00 0.00 C ATOM 0 H PHE A 32 -0.541 -7.413 7.624 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.540 -7.211 9.631 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.235 -7.130 9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.126 -5.443 9.670 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.577 -6.048 11.473 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.390 -7.502 11.425 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.723 -6.525 13.923 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.246 -7.977 13.876 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.808 -7.482 15.095 1.00 0.00 H new ATOM 521 N TRP A 33 -2.227 -4.689 7.668 1.00 0.00 N ATOM 522 CA TRP A 33 -2.751 -3.377 7.330 1.00 0.00 C ATOM 523 C TRP A 33 -3.323 -3.447 5.912 1.00 0.00 C ATOM 524 O TRP A 33 -4.453 -3.024 5.674 1.00 0.00 O ATOM 525 CB TRP A 33 -1.677 -2.299 7.489 1.00 0.00 C ATOM 526 CG TRP A 33 -0.450 -2.507 6.598 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.602 -3.307 6.816 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.191 -1.869 5.329 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.517 -3.231 5.786 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.020 -2.329 4.853 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.954 -0.934 4.609 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.575 -1.910 3.638 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.386 -0.525 3.396 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.832 -0.979 2.903 1.00 0.00 C ATOM 0 H TRP A 33 -1.699 -5.142 6.923 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.551 -3.093 8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.116 -1.327 7.264 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.357 -2.271 8.530 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.719 -3.933 7.688 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.397 -3.743 5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.903 -0.560 4.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.525 -2.285 3.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.932 0.193 2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.203 -0.615 1.957 1.00 0.00 H new ATOM 545 N PHE A 34 -2.515 -3.983 5.009 1.00 0.00 N ATOM 546 CA PHE A 34 -2.927 -4.113 3.622 1.00 0.00 C ATOM 547 C PHE A 34 -4.041 -5.151 3.475 1.00 0.00 C ATOM 548 O PHE A 34 -5.222 -4.813 3.538 1.00 0.00 O ATOM 549 CB PHE A 34 -1.702 -4.583 2.834 1.00 0.00 C ATOM 550 CG PHE A 34 -2.024 -5.096 1.429 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.843 -4.378 0.615 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.492 -6.270 0.995 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.142 -4.853 -0.690 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.792 -6.745 -0.309 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.610 -6.027 -1.124 1.00 0.00 C ATOM 0 H PHE A 34 -1.578 -4.332 5.211 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.306 -3.159 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.995 -3.757 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.205 -5.375 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.266 -3.446 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.842 -6.841 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.791 -4.282 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.370 -7.677 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.837 -6.389 -2.116 1.00 0.00 H new ATOM 565 N MET A 35 -3.627 -6.395 3.283 1.00 0.00 N ATOM 566 CA MET A 35 -4.575 -7.485 3.128 1.00 0.00 C ATOM 567 C MET A 35 -3.858 -8.836 3.097 1.00 0.00 C ATOM 568 O MET A 35 -2.648 -8.895 2.886 1.00 0.00 O ATOM 569 CB MET A 35 -5.363 -7.294 1.830 1.00 0.00 C ATOM 570 CG MET A 35 -6.718 -6.638 2.102 1.00 0.00 C ATOM 571 SD MET A 35 -6.937 -5.225 1.035 1.00 0.00 S ATOM 572 CE MET A 35 -6.492 -5.949 -0.534 1.00 0.00 C ATOM 0 H MET A 35 -2.647 -6.672 3.231 1.00 0.00 H new ATOM 0 HA MET A 35 -5.254 -7.476 3.981 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.788 -6.677 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.513 -8.259 1.346 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.520 -7.358 1.935 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.779 -6.329 3.146 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.607 -5.449 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.280 -7.009 -0.398 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.317 -5.831 -1.236 1.00 0.00 H new ATOM 582 N GLU A 36 -4.635 -9.887 3.309 1.00 0.00 N ATOM 583 CA GLU A 36 -4.090 -11.234 3.308 1.00 0.00 C ATOM 584 C GLU A 36 -3.365 -11.512 1.989 1.00 0.00 C ATOM 585 O GLU A 36 -3.887 -11.215 0.916 1.00 0.00 O ATOM 586 CB GLU A 36 -5.186 -12.270 3.560 1.00 0.00 C ATOM 587 CG GLU A 36 -5.631 -12.253 5.024 1.00 0.00 C ATOM 588 CD GLU A 36 -5.296 -13.577 5.714 1.00 0.00 C ATOM 589 OE1 GLU A 36 -4.138 -14.022 5.559 1.00 0.00 O ATOM 590 OE2 GLU A 36 -6.206 -14.115 6.382 1.00 0.00 O ATOM 0 H GLU A 36 -5.639 -9.833 3.483 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.368 -11.313 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.040 -12.065 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.820 -13.263 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.141 -11.432 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.704 -12.071 5.080 1.00 0.00 H new ATOM 597 N ASN A 37 -2.174 -12.079 2.113 1.00 0.00 N ATOM 598 CA ASN A 37 -1.373 -12.401 0.944 1.00 0.00 C ATOM 599 C ASN A 37 -0.341 -13.467 1.317 1.00 0.00 C ATOM 600 O ASN A 37 -0.362 -13.996 2.427 1.00 0.00 O ATOM 601 CB ASN A 37 -0.620 -11.169 0.438 1.00 0.00 C ATOM 602 CG ASN A 37 0.396 -10.684 1.473 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.597 -10.704 1.259 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.150 -10.247 2.604 1.00 0.00 N ATOM 0 H ASN A 37 -1.744 -12.324 3.005 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.043 -12.760 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.109 -11.409 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.329 -10.371 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.445 -9.901 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.164 -10.258 2.718 1.00 0.00 H new ATOM 611 N ASP A 38 0.538 -13.751 0.367 1.00 0.00 N ATOM 612 CA ASP A 38 1.577 -14.744 0.581 1.00 0.00 C ATOM 613 C ASP A 38 2.913 -14.196 0.076 1.00 0.00 C ATOM 614 O ASP A 38 3.759 -14.953 -0.398 1.00 0.00 O ATOM 615 CB ASP A 38 1.273 -16.032 -0.187 1.00 0.00 C ATOM 616 CG ASP A 38 2.186 -17.214 0.146 1.00 0.00 C ATOM 617 OD1 ASP A 38 3.093 -17.012 0.983 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.957 -18.292 -0.443 1.00 0.00 O ATOM 0 H ASP A 38 0.552 -13.311 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 38 1.621 -14.962 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.241 -16.322 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.345 -15.826 -1.255 1.00 0.00 H new ATOM 623 N LEU A 39 3.061 -12.885 0.195 1.00 0.00 N ATOM 624 CA LEU A 39 4.280 -12.226 -0.244 1.00 0.00 C ATOM 625 C LEU A 39 5.469 -12.796 0.531 1.00 0.00 C ATOM 626 O LEU A 39 5.306 -13.308 1.638 1.00 0.00 O ATOM 627 CB LEU A 39 4.140 -10.707 -0.127 1.00 0.00 C ATOM 628 CG LEU A 39 5.172 -9.878 -0.895 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.513 -9.110 -2.043 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.942 -8.951 0.048 1.00 0.00 C ATOM 0 H LEU A 39 2.357 -12.261 0.589 1.00 0.00 H new ATOM 0 HA LEU A 39 4.462 -12.425 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.146 -10.426 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.198 -10.437 0.927 1.00 0.00 H new ATOM 0 HG LEU A 39 5.897 -10.560 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.268 -8.529 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.048 -9.815 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.753 -8.439 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.669 -8.373 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.245 -8.273 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.461 -9.546 0.799 1.00 0.00 H new ATOM 642 N LYS A 40 6.640 -12.689 -0.080 1.00 0.00 N ATOM 643 CA LYS A 40 7.856 -13.187 0.539 1.00 0.00 C ATOM 644 C LYS A 40 9.036 -12.309 0.114 1.00 0.00 C ATOM 645 O LYS A 40 10.184 -12.750 0.144 1.00 0.00 O ATOM 646 CB LYS A 40 8.049 -14.671 0.222 1.00 0.00 C ATOM 647 CG LYS A 40 7.328 -15.549 1.247 1.00 0.00 C ATOM 648 CD LYS A 40 8.213 -16.715 1.690 1.00 0.00 C ATOM 649 CE LYS A 40 9.379 -16.223 2.550 1.00 0.00 C ATOM 650 NZ LYS A 40 10.058 -17.364 3.204 1.00 0.00 N ATOM 0 H LYS A 40 6.772 -12.264 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 40 7.785 -13.123 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.669 -14.885 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.112 -14.910 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.050 -14.949 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.404 -15.933 0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.618 -17.434 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.598 -17.237 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.090 -15.676 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.013 -15.528 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.847 -17.013 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.381 -17.870 3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.424 -18.013 2.478 1.00 0.00 H new ATOM 664 N ALA A 41 8.711 -11.084 -0.271 1.00 0.00 N ATOM 665 CA ALA A 41 9.730 -10.141 -0.701 1.00 0.00 C ATOM 666 C ALA A 41 10.715 -10.850 -1.633 1.00 0.00 C ATOM 667 O ALA A 41 11.875 -11.052 -1.278 1.00 0.00 O ATOM 668 CB ALA A 41 10.418 -9.538 0.525 1.00 0.00 C ATOM 0 H ALA A 41 7.757 -10.723 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 41 9.281 -9.320 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.182 -8.831 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.680 -9.020 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.882 -10.332 1.109 1.00 0.00 H new ATOM 674 N GLU A 42 10.216 -11.208 -2.807 1.00 0.00 N ATOM 675 CA GLU A 42 11.037 -11.890 -3.793 1.00 0.00 C ATOM 676 C GLU A 42 10.483 -11.655 -5.199 1.00 0.00 C ATOM 677 O GLU A 42 9.422 -12.171 -5.546 1.00 0.00 O ATOM 678 CB GLU A 42 11.135 -13.385 -3.484 1.00 0.00 C ATOM 679 CG GLU A 42 12.568 -13.891 -3.669 1.00 0.00 C ATOM 680 CD GLU A 42 12.846 -15.093 -2.765 1.00 0.00 C ATOM 681 OE1 GLU A 42 12.028 -16.037 -2.809 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.870 -15.041 -2.051 1.00 0.00 O ATOM 0 H GLU A 42 9.253 -11.039 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 42 12.045 -11.476 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.809 -13.570 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.462 -13.940 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.727 -14.170 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.272 -13.090 -3.442 1.00 0.00 H new ATOM 689 N THR A 43 11.227 -10.877 -5.971 1.00 0.00 N ATOM 690 CA THR A 43 10.823 -10.568 -7.333 1.00 0.00 C ATOM 691 C THR A 43 10.410 -11.843 -8.069 1.00 0.00 C ATOM 692 O THR A 43 11.062 -12.878 -7.939 1.00 0.00 O ATOM 693 CB THR A 43 11.975 -9.821 -8.009 1.00 0.00 C ATOM 694 OG1 THR A 43 11.330 -8.974 -8.957 1.00 0.00 O ATOM 695 CG2 THR A 43 12.847 -10.742 -8.865 1.00 0.00 C ATOM 0 H THR A 43 12.107 -10.451 -5.680 1.00 0.00 H new ATOM 0 HA THR A 43 9.944 -9.923 -7.349 1.00 0.00 H new ATOM 0 HB THR A 43 12.591 -9.340 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.004 -8.451 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.649 -10.162 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.276 -11.523 -8.238 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.238 -11.197 -9.646 1.00 0.00 H new ATOM 703 N GLY A 44 9.329 -11.727 -8.827 1.00 0.00 N ATOM 704 CA GLY A 44 8.821 -12.858 -9.584 1.00 0.00 C ATOM 705 C GLY A 44 8.206 -13.908 -8.656 1.00 0.00 C ATOM 706 O GLY A 44 8.199 -15.096 -8.974 1.00 0.00 O ATOM 0 H GLY A 44 8.791 -10.867 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.072 -12.515 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.630 -13.307 -10.161 1.00 0.00 H new ATOM 710 N HIS A 45 7.704 -13.431 -7.526 1.00 0.00 N ATOM 711 CA HIS A 45 7.087 -14.313 -6.550 1.00 0.00 C ATOM 712 C HIS A 45 5.567 -14.156 -6.604 1.00 0.00 C ATOM 713 O HIS A 45 4.994 -13.364 -5.857 1.00 0.00 O ATOM 714 CB HIS A 45 7.660 -14.062 -5.153 1.00 0.00 C ATOM 715 CG HIS A 45 7.058 -14.934 -4.077 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.986 -16.312 -4.182 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.504 -14.609 -2.874 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.410 -16.785 -3.086 1.00 0.00 C ATOM 719 NE2 HIS A 45 6.112 -15.728 -2.277 1.00 0.00 N ATOM 0 H HIS A 45 7.712 -12.445 -7.265 1.00 0.00 H new ATOM 0 HA HIS A 45 7.319 -15.350 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.737 -14.226 -5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.503 -13.016 -4.889 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.402 -13.611 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.211 -17.825 -2.871 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.662 -15.788 -1.364 1.00 0.00 H new ATOM 727 N HIS A 46 4.956 -14.923 -7.495 1.00 0.00 N ATOM 728 CA HIS A 46 3.512 -14.879 -7.656 1.00 0.00 C ATOM 729 C HIS A 46 2.837 -15.286 -6.345 1.00 0.00 C ATOM 730 O HIS A 46 2.832 -16.461 -5.984 1.00 0.00 O ATOM 731 CB HIS A 46 3.072 -15.740 -8.842 1.00 0.00 C ATOM 732 CG HIS A 46 3.811 -17.051 -8.957 1.00 0.00 C ATOM 733 ND1 HIS A 46 5.033 -17.169 -9.597 1.00 0.00 N ATOM 734 CD2 HIS A 46 3.490 -18.298 -8.508 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.419 -18.435 -9.530 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.461 -19.133 -8.855 1.00 0.00 N ATOM 0 H HIS A 46 5.434 -15.579 -8.113 1.00 0.00 H new ATOM 0 HA HIS A 46 3.198 -13.860 -7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.005 -15.943 -8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.214 -15.173 -9.762 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.596 -18.561 -7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.332 -18.843 -9.938 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.487 -20.132 -8.651 1.00 0.00 H new ATOM 744 N PHE A 47 2.283 -14.290 -5.669 1.00 0.00 N ATOM 745 CA PHE A 47 1.606 -14.529 -4.405 1.00 0.00 C ATOM 746 C PHE A 47 0.097 -14.314 -4.542 1.00 0.00 C ATOM 747 O PHE A 47 -0.342 -13.400 -5.238 1.00 0.00 O ATOM 748 CB PHE A 47 2.164 -13.520 -3.401 1.00 0.00 C ATOM 749 CG PHE A 47 1.679 -12.086 -3.625 1.00 0.00 C ATOM 750 CD1 PHE A 47 0.544 -11.649 -3.017 1.00 0.00 C ATOM 751 CD2 PHE A 47 2.384 -11.248 -4.432 1.00 0.00 C ATOM 752 CE1 PHE A 47 0.094 -10.319 -3.225 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.934 -9.917 -4.639 1.00 0.00 C ATOM 754 CZ PHE A 47 0.798 -9.481 -4.032 1.00 0.00 C ATOM 0 H PHE A 47 2.289 -13.316 -5.972 1.00 0.00 H new ATOM 0 HA PHE A 47 1.772 -15.557 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.887 -13.833 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.253 -13.537 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.015 -12.314 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.286 -11.595 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.808 -9.972 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.494 -9.251 -5.279 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.455 -8.469 -4.191 1.00 0.00 H new ATOM 764 N HIS A 48 -0.654 -15.171 -3.867 1.00 0.00 N ATOM 765 CA HIS A 48 -2.104 -15.086 -3.905 1.00 0.00 C ATOM 766 C HIS A 48 -2.580 -13.996 -2.942 1.00 0.00 C ATOM 767 O HIS A 48 -1.939 -13.740 -1.924 1.00 0.00 O ATOM 768 CB HIS A 48 -2.736 -16.450 -3.616 1.00 0.00 C ATOM 769 CG HIS A 48 -2.886 -17.328 -4.835 1.00 0.00 C ATOM 770 ND1 HIS A 48 -1.939 -18.268 -5.202 1.00 0.00 N ATOM 771 CD2 HIS A 48 -3.881 -17.401 -5.764 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.355 -18.872 -6.306 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.559 -18.333 -6.652 1.00 0.00 N ATOM 0 H HIS A 48 -0.286 -15.928 -3.291 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.429 -14.804 -4.907 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.127 -16.972 -2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.718 -16.296 -3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.779 -16.802 -5.775 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.833 -19.653 -6.838 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.120 -18.602 -7.460 1.00 0.00 H new ATOM 781 N LEU A 49 -3.699 -13.384 -3.299 1.00 0.00 N ATOM 782 CA LEU A 49 -4.268 -12.327 -2.480 1.00 0.00 C ATOM 783 C LEU A 49 -5.707 -12.692 -2.112 1.00 0.00 C ATOM 784 O LEU A 49 -6.508 -13.029 -2.982 1.00 0.00 O ATOM 785 CB LEU A 49 -4.137 -10.975 -3.183 1.00 0.00 C ATOM 786 CG LEU A 49 -4.499 -9.746 -2.346 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.355 -9.369 -1.402 1.00 0.00 C ATOM 788 CD2 LEU A 49 -4.912 -8.576 -3.241 1.00 0.00 C ATOM 0 H LEU A 49 -4.227 -13.600 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.715 -12.229 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.109 -10.865 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.771 -10.986 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.359 -9.997 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.638 -8.493 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.149 -10.201 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.462 -9.144 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.164 -7.715 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.087 -8.316 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.780 -8.862 -3.836 1.00 0.00 H new ATOM 800 N GLN A 50 -5.992 -12.613 -0.820 1.00 0.00 N ATOM 801 CA GLN A 50 -7.321 -12.930 -0.326 1.00 0.00 C ATOM 802 C GLN A 50 -8.048 -11.654 0.101 1.00 0.00 C ATOM 803 O GLN A 50 -8.106 -11.335 1.288 1.00 0.00 O ATOM 804 CB GLN A 50 -7.252 -13.934 0.827 1.00 0.00 C ATOM 805 CG GLN A 50 -6.614 -15.248 0.373 1.00 0.00 C ATOM 806 CD GLN A 50 -7.449 -16.448 0.825 1.00 0.00 C ATOM 807 OE1 GLN A 50 -7.423 -16.858 1.974 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.190 -16.986 -0.140 1.00 0.00 N ATOM 0 H GLN A 50 -5.325 -12.334 -0.101 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.887 -13.393 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.675 -13.510 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.255 -14.125 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.520 -15.254 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.606 -15.327 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.165 -16.593 -1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.783 -17.791 0.061 1.00 0.00 H new ATOM 817 N SER A 51 -8.584 -10.956 -0.890 1.00 0.00 N ATOM 818 CA SER A 51 -9.305 -9.721 -0.632 1.00 0.00 C ATOM 819 C SER A 51 -10.764 -10.029 -0.289 1.00 0.00 C ATOM 820 O SER A 51 -11.197 -11.176 -0.376 1.00 0.00 O ATOM 821 CB SER A 51 -9.230 -8.778 -1.835 1.00 0.00 C ATOM 822 OG SER A 51 -10.474 -8.692 -2.524 1.00 0.00 O ATOM 0 H SER A 51 -8.533 -11.223 -1.873 1.00 0.00 H new ATOM 0 HA SER A 51 -8.837 -9.222 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.932 -7.785 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.459 -9.127 -2.522 1.00 0.00 H new ATOM 0 HG SER A 51 -10.622 -9.515 -3.036 1.00 0.00 H new ATOM 828 N PRO A 52 -11.500 -8.955 0.105 1.00 0.00 N ATOM 829 CA PRO A 52 -12.901 -9.099 0.463 1.00 0.00 C ATOM 830 C PRO A 52 -13.769 -9.280 -0.784 1.00 0.00 C ATOM 831 O PRO A 52 -14.919 -9.704 -0.688 1.00 0.00 O ATOM 832 CB PRO A 52 -13.239 -7.839 1.244 1.00 0.00 C ATOM 833 CG PRO A 52 -12.155 -6.831 0.898 1.00 0.00 C ATOM 834 CD PRO A 52 -11.020 -7.581 0.221 1.00 0.00 C ATOM 0 HA PRO A 52 -13.093 -9.988 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.224 -7.462 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.260 -8.038 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.549 -6.058 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.798 -6.330 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.793 -7.157 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.105 -7.530 0.810 1.00 0.00 H new ATOM 842 N PHE A 53 -13.184 -8.950 -1.927 1.00 0.00 N ATOM 843 CA PHE A 53 -13.889 -9.071 -3.191 1.00 0.00 C ATOM 844 C PHE A 53 -13.345 -10.240 -4.013 1.00 0.00 C ATOM 845 O PHE A 53 -12.933 -10.060 -5.158 1.00 0.00 O ATOM 846 CB PHE A 53 -13.655 -7.769 -3.960 1.00 0.00 C ATOM 847 CG PHE A 53 -14.526 -6.602 -3.489 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.769 -6.426 -4.013 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.058 -5.742 -2.546 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.577 -5.344 -3.576 1.00 0.00 C ATOM 851 CE2 PHE A 53 -14.866 -4.659 -2.109 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.108 -4.483 -2.633 1.00 0.00 C ATOM 0 H PHE A 53 -12.229 -8.599 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.949 -9.252 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.606 -7.487 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.844 -7.946 -5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.141 -7.110 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.072 -5.882 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.564 -5.204 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -14.494 -3.975 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.722 -3.659 -2.301 1.00 0.00 H new ATOM 862 N GLY A 54 -13.359 -11.413 -3.397 1.00 0.00 N ATOM 863 CA GLY A 54 -12.871 -12.612 -4.057 1.00 0.00 C ATOM 864 C GLY A 54 -11.342 -12.642 -4.080 1.00 0.00 C ATOM 865 O GLY A 54 -10.696 -11.594 -4.076 1.00 0.00 O ATOM 0 H GLY A 54 -13.701 -11.559 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.248 -13.495 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.254 -12.652 -5.077 1.00 0.00 H new ATOM 869 N PRO A 55 -10.791 -13.885 -4.103 1.00 0.00 N ATOM 870 CA PRO A 55 -9.350 -14.065 -4.126 1.00 0.00 C ATOM 871 C PRO A 55 -8.780 -13.750 -5.510 1.00 0.00 C ATOM 872 O PRO A 55 -9.378 -14.099 -6.526 1.00 0.00 O ATOM 873 CB PRO A 55 -9.127 -15.510 -3.707 1.00 0.00 C ATOM 874 CG PRO A 55 -10.458 -16.214 -3.915 1.00 0.00 C ATOM 875 CD PRO A 55 -11.524 -15.148 -4.108 1.00 0.00 C ATOM 0 HA PRO A 55 -8.831 -13.384 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.342 -15.973 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.812 -15.570 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.411 -16.869 -4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.696 -16.841 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.061 -15.290 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.264 -15.179 -3.309 1.00 0.00 H new ATOM 883 N SER A 56 -7.630 -13.092 -5.505 1.00 0.00 N ATOM 884 CA SER A 56 -6.972 -12.725 -6.748 1.00 0.00 C ATOM 885 C SER A 56 -5.458 -12.900 -6.610 1.00 0.00 C ATOM 886 O SER A 56 -4.888 -12.598 -5.564 1.00 0.00 O ATOM 887 CB SER A 56 -7.306 -11.285 -7.144 1.00 0.00 C ATOM 888 OG SER A 56 -8.254 -11.230 -8.206 1.00 0.00 O ATOM 0 H SER A 56 -7.137 -12.803 -4.660 1.00 0.00 H new ATOM 0 HA SER A 56 -7.337 -13.384 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.700 -10.753 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.393 -10.771 -7.446 1.00 0.00 H new ATOM 0 HG SER A 56 -8.442 -10.294 -8.428 1.00 0.00 H new ATOM 894 N PRO A 57 -4.835 -13.399 -7.711 1.00 0.00 N ATOM 895 CA PRO A 57 -3.399 -13.618 -7.723 1.00 0.00 C ATOM 896 C PRO A 57 -2.644 -12.293 -7.854 1.00 0.00 C ATOM 897 O PRO A 57 -3.236 -11.267 -8.186 1.00 0.00 O ATOM 898 CB PRO A 57 -3.154 -14.559 -8.891 1.00 0.00 C ATOM 899 CG PRO A 57 -4.391 -14.464 -9.770 1.00 0.00 C ATOM 900 CD PRO A 57 -5.479 -13.768 -8.968 1.00 0.00 C ATOM 0 HA PRO A 57 -3.032 -14.054 -6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.259 -14.271 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.999 -15.581 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.171 -13.906 -10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.719 -15.457 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.857 -12.890 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.329 -14.428 -8.798 1.00 0.00 H new ATOM 908 N CYS A 58 -1.348 -12.359 -7.587 1.00 0.00 N ATOM 909 CA CYS A 58 -0.506 -11.178 -7.671 1.00 0.00 C ATOM 910 C CYS A 58 0.922 -11.627 -7.990 1.00 0.00 C ATOM 911 O CYS A 58 1.235 -12.814 -7.911 1.00 0.00 O ATOM 912 CB CYS A 58 -0.568 -10.346 -6.388 1.00 0.00 C ATOM 913 SG CYS A 58 -2.092 -9.332 -6.374 1.00 0.00 S ATOM 0 H CYS A 58 -0.861 -13.212 -7.312 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.868 -10.527 -8.467 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.550 -11.002 -5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.308 -9.701 -6.320 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.979 -9.870 -7.158 1.00 0.00 H new ATOM 919 N GLN A 59 1.749 -10.654 -8.345 1.00 0.00 N ATOM 920 CA GLN A 59 3.135 -10.935 -8.677 1.00 0.00 C ATOM 921 C GLN A 59 4.011 -9.720 -8.367 1.00 0.00 C ATOM 922 O GLN A 59 3.663 -8.593 -8.718 1.00 0.00 O ATOM 923 CB GLN A 59 3.275 -11.352 -10.142 1.00 0.00 C ATOM 924 CG GLN A 59 4.747 -11.457 -10.545 1.00 0.00 C ATOM 925 CD GLN A 59 5.004 -12.725 -11.362 1.00 0.00 C ATOM 926 OE1 GLN A 59 5.240 -13.798 -10.832 1.00 0.00 O ATOM 927 NE2 GLN A 59 4.944 -12.542 -12.678 1.00 0.00 N ATOM 0 H GLN A 59 1.486 -9.671 -8.410 1.00 0.00 H new ATOM 0 HA GLN A 59 3.473 -11.769 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.782 -12.311 -10.299 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.771 -10.626 -10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.031 -10.581 -11.128 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.372 -11.463 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.742 -11.616 -13.055 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.100 -13.327 -13.310 1.00 0.00 H new ATOM 936 N VAL A 60 5.132 -9.989 -7.713 1.00 0.00 N ATOM 937 CA VAL A 60 6.060 -8.931 -7.352 1.00 0.00 C ATOM 938 C VAL A 60 6.942 -8.600 -8.558 1.00 0.00 C ATOM 939 O VAL A 60 7.530 -9.493 -9.166 1.00 0.00 O ATOM 940 CB VAL A 60 6.865 -9.341 -6.117 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.764 -8.196 -5.645 1.00 0.00 C ATOM 942 CG2 VAL A 60 5.942 -9.813 -4.993 1.00 0.00 C ATOM 0 H VAL A 60 5.418 -10.924 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 60 5.520 -8.023 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 60 7.506 -10.177 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.325 -8.513 -4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.458 -7.926 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.150 -7.332 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.540 -10.098 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.264 -9.006 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.364 -10.672 -5.334 1.00 0.00 H new ATOM 952 N THR A 61 7.006 -7.313 -8.868 1.00 0.00 N ATOM 953 CA THR A 61 7.807 -6.852 -9.989 1.00 0.00 C ATOM 954 C THR A 61 9.211 -6.468 -9.520 1.00 0.00 C ATOM 955 O THR A 61 10.195 -6.736 -10.209 1.00 0.00 O ATOM 956 CB THR A 61 7.056 -5.703 -10.665 1.00 0.00 C ATOM 957 OG1 THR A 61 7.144 -4.633 -9.729 1.00 0.00 O ATOM 958 CG2 THR A 61 5.555 -5.973 -10.783 1.00 0.00 C ATOM 0 H THR A 61 6.516 -6.575 -8.362 1.00 0.00 H new ATOM 0 HA THR A 61 7.950 -7.643 -10.725 1.00 0.00 H new ATOM 0 HB THR A 61 7.472 -5.532 -11.658 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.684 -3.846 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.070 -5.127 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.393 -6.874 -11.375 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.131 -6.111 -9.788 1.00 0.00 H new ATOM 966 N ASP A 62 9.261 -5.846 -8.352 1.00 0.00 N ATOM 967 CA ASP A 62 10.529 -5.422 -7.782 1.00 0.00 C ATOM 968 C ASP A 62 10.430 -5.443 -6.256 1.00 0.00 C ATOM 969 O ASP A 62 9.459 -4.946 -5.686 1.00 0.00 O ATOM 970 CB ASP A 62 10.877 -3.997 -8.215 1.00 0.00 C ATOM 971 CG ASP A 62 12.136 -3.871 -9.076 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.150 -4.492 -8.691 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.054 -3.159 -10.099 1.00 0.00 O ATOM 0 H ASP A 62 8.443 -5.625 -7.784 1.00 0.00 H new ATOM 0 HA ASP A 62 11.303 -6.105 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.033 -3.586 -8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.002 -3.383 -7.323 1.00 0.00 H new ATOM 978 N VAL A 63 11.447 -6.022 -5.636 1.00 0.00 N ATOM 979 CA VAL A 63 11.487 -6.114 -4.187 1.00 0.00 C ATOM 980 C VAL A 63 12.936 -6.302 -3.731 1.00 0.00 C ATOM 981 O VAL A 63 13.506 -7.379 -3.894 1.00 0.00 O ATOM 982 CB VAL A 63 10.560 -7.232 -3.707 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.995 -8.586 -4.273 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.493 -7.272 -2.179 1.00 0.00 C ATOM 0 H VAL A 63 12.251 -6.433 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 63 11.121 -5.191 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 63 9.558 -7.019 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.319 -9.363 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.966 -8.551 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.010 -8.809 -3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.827 -8.076 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.490 -7.448 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.114 -6.320 -1.806 1.00 0.00 H new ATOM 994 N GLU A 64 13.489 -5.237 -3.170 1.00 0.00 N ATOM 995 CA GLU A 64 14.860 -5.271 -2.690 1.00 0.00 C ATOM 996 C GLU A 64 15.065 -4.222 -1.595 1.00 0.00 C ATOM 997 O GLU A 64 15.139 -3.028 -1.880 1.00 0.00 O ATOM 998 CB GLU A 64 15.848 -5.064 -3.839 1.00 0.00 C ATOM 999 CG GLU A 64 17.291 -5.231 -3.358 1.00 0.00 C ATOM 1000 CD GLU A 64 17.957 -6.435 -4.028 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.415 -6.262 -5.179 1.00 0.00 O ATOM 1002 OE2 GLU A 64 17.992 -7.500 -3.376 1.00 0.00 O ATOM 0 H GLU A 64 13.013 -4.345 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 64 15.051 -6.256 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.641 -5.780 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.715 -4.069 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.859 -4.327 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.305 -5.359 -2.276 1.00 0.00 H new ATOM 1009 N ARG A 65 15.151 -4.706 -0.365 1.00 0.00 N ATOM 1010 CA ARG A 65 15.346 -3.825 0.774 1.00 0.00 C ATOM 1011 C ARG A 65 14.254 -2.754 0.811 1.00 0.00 C ATOM 1012 O ARG A 65 13.525 -2.573 -0.164 1.00 0.00 O ATOM 1013 CB ARG A 65 16.716 -3.146 0.717 1.00 0.00 C ATOM 1014 CG ARG A 65 17.717 -3.851 1.634 1.00 0.00 C ATOM 1015 CD ARG A 65 18.624 -2.839 2.336 1.00 0.00 C ATOM 1016 NE ARG A 65 19.936 -2.776 1.653 1.00 0.00 N ATOM 1017 CZ ARG A 65 20.902 -1.900 1.960 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.710 -1.007 2.941 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.061 -1.917 1.287 1.00 0.00 N ATOM 0 H ARG A 65 15.089 -5.697 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 65 15.292 -4.434 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.088 -3.155 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.620 -2.101 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.181 -4.442 2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.323 -4.545 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.155 -1.855 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.761 -3.123 3.379 1.00 0.00 H new ATOM 0 HE ARG A 65 20.116 -3.442 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.828 -0.994 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.446 -0.340 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.208 -2.597 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.796 -1.250 1.521 1.00 0.00 H new ATOM 1033 N PRO A 66 14.173 -2.055 1.974 1.00 0.00 N ATOM 1034 CA PRO A 66 13.182 -1.007 2.150 1.00 0.00 C ATOM 1035 C PRO A 66 13.576 0.254 1.380 1.00 0.00 C ATOM 1036 O PRO A 66 13.748 1.319 1.971 1.00 0.00 O ATOM 1037 CB PRO A 66 13.106 -0.786 3.652 1.00 0.00 C ATOM 1038 CG PRO A 66 14.381 -1.382 4.227 1.00 0.00 C ATOM 1039 CD PRO A 66 15.019 -2.244 3.149 1.00 0.00 C ATOM 0 HA PRO A 66 12.205 -1.280 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.031 0.276 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.225 -1.269 4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.065 -0.593 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.159 -1.979 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.046 -1.936 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.053 -3.292 3.448 1.00 0.00 H new ATOM 1047 N ILE A 67 13.706 0.093 0.071 1.00 0.00 N ATOM 1048 CA ILE A 67 14.076 1.206 -0.787 1.00 0.00 C ATOM 1049 C ILE A 67 13.135 1.250 -1.992 1.00 0.00 C ATOM 1050 O ILE A 67 12.679 2.321 -2.389 1.00 0.00 O ATOM 1051 CB ILE A 67 15.556 1.122 -1.165 1.00 0.00 C ATOM 1052 CG1 ILE A 67 15.926 -0.291 -1.623 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.444 1.603 -0.016 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.619 -0.483 -3.109 1.00 0.00 C ATOM 0 H ILE A 67 13.562 -0.791 -0.416 1.00 0.00 H new ATOM 0 HA ILE A 67 13.960 2.151 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 67 15.731 1.790 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.986 -0.471 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.373 -1.024 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.491 1.533 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.203 2.639 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.272 0.980 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.891 -1.495 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.555 -0.327 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.192 0.236 -3.695 1.00 0.00 H new ATOM 1066 N LYS A 68 12.873 0.073 -2.541 1.00 0.00 N ATOM 1067 CA LYS A 68 11.994 -0.036 -3.693 1.00 0.00 C ATOM 1068 C LYS A 68 11.169 -1.320 -3.580 1.00 0.00 C ATOM 1069 O LYS A 68 11.725 -2.415 -3.519 1.00 0.00 O ATOM 1070 CB LYS A 68 12.798 0.066 -4.991 1.00 0.00 C ATOM 1071 CG LYS A 68 11.920 -0.244 -6.206 1.00 0.00 C ATOM 1072 CD LYS A 68 12.134 0.788 -7.314 1.00 0.00 C ATOM 1073 CE LYS A 68 12.221 0.112 -8.684 1.00 0.00 C ATOM 1074 NZ LYS A 68 13.312 0.708 -9.488 1.00 0.00 N ATOM 0 H LYS A 68 13.254 -0.813 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 68 11.289 0.795 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.216 1.068 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.638 -0.628 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.152 -1.240 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.871 -0.252 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.314 1.506 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.049 1.348 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.396 -0.957 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.273 0.220 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.357 0.238 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.129 1.723 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.217 0.583 -8.992 1.00 0.00 H new ATOM 1088 N LEU A 69 9.857 -1.141 -3.555 1.00 0.00 N ATOM 1089 CA LEU A 69 8.949 -2.271 -3.450 1.00 0.00 C ATOM 1090 C LEU A 69 7.723 -2.018 -4.329 1.00 0.00 C ATOM 1091 O LEU A 69 7.057 -0.993 -4.191 1.00 0.00 O ATOM 1092 CB LEU A 69 8.609 -2.551 -1.985 1.00 0.00 C ATOM 1093 CG LEU A 69 7.827 -3.837 -1.712 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.729 -5.066 -1.845 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.135 -3.779 -0.349 1.00 0.00 C ATOM 0 H LEU A 69 9.400 -0.230 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 69 9.425 -3.178 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.539 -2.587 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.033 -1.710 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 69 7.045 -3.928 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.148 -5.967 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.135 -5.112 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.547 -4.996 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.586 -4.705 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.883 -3.652 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.442 -2.938 -0.328 1.00 0.00 H new ATOM 1107 N SER A 70 7.461 -2.970 -5.213 1.00 0.00 N ATOM 1108 CA SER A 70 6.326 -2.863 -6.113 1.00 0.00 C ATOM 1109 C SER A 70 5.652 -4.227 -6.271 1.00 0.00 C ATOM 1110 O SER A 70 6.302 -5.263 -6.142 1.00 0.00 O ATOM 1111 CB SER A 70 6.755 -2.322 -7.479 1.00 0.00 C ATOM 1112 OG SER A 70 5.663 -1.751 -8.195 1.00 0.00 O ATOM 0 H SER A 70 8.016 -3.819 -5.325 1.00 0.00 H new ATOM 0 HA SER A 70 5.613 -2.161 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.532 -1.570 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.192 -3.129 -8.067 1.00 0.00 H new ATOM 0 HG SER A 70 5.979 -1.416 -9.060 1.00 0.00 H new ATOM 1118 N PHE A 71 4.357 -4.184 -6.547 1.00 0.00 N ATOM 1119 CA PHE A 71 3.588 -5.404 -6.724 1.00 0.00 C ATOM 1120 C PHE A 71 2.336 -5.147 -7.565 1.00 0.00 C ATOM 1121 O PHE A 71 1.718 -4.089 -7.456 1.00 0.00 O ATOM 1122 CB PHE A 71 3.164 -5.871 -5.330 1.00 0.00 C ATOM 1123 CG PHE A 71 1.950 -5.129 -4.767 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.698 -5.460 -5.183 1.00 0.00 C ATOM 1125 CD2 PHE A 71 2.123 -4.139 -3.851 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.429 -4.772 -4.661 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.996 -3.450 -3.330 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.256 -3.781 -3.745 1.00 0.00 C ATOM 0 H PHE A 71 3.821 -3.323 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 71 4.191 -6.152 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.940 -6.937 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.003 -5.746 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.561 -6.246 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.117 -3.877 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.423 -5.035 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.133 -2.663 -2.604 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.113 -3.257 -3.348 1.00 0.00 H new ATOM 1138 N THR A 72 2.000 -6.132 -8.384 1.00 0.00 N ATOM 1139 CA THR A 72 0.833 -6.025 -9.243 1.00 0.00 C ATOM 1140 C THR A 72 -0.418 -6.510 -8.507 1.00 0.00 C ATOM 1141 O THR A 72 -0.348 -7.436 -7.701 1.00 0.00 O ATOM 1142 CB THR A 72 1.120 -6.803 -10.529 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.400 -8.126 -10.080 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.418 -6.357 -11.206 1.00 0.00 C ATOM 0 H THR A 72 2.515 -7.008 -8.471 1.00 0.00 H new ATOM 0 HA THR A 72 0.633 -4.987 -9.510 1.00 0.00 H new ATOM 0 HB THR A 72 0.288 -6.678 -11.222 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.361 -8.218 -9.912 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.574 -6.940 -12.113 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.350 -5.300 -11.462 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.255 -6.513 -10.526 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.532 -5.861 -8.810 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.797 -6.214 -8.187 1.00 0.00 C ATOM 1154 C TRP A 73 -3.632 -6.981 -9.214 1.00 0.00 C ATOM 1155 O TRP A 73 -3.804 -6.526 -10.344 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.507 -4.972 -7.646 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.681 -5.282 -6.715 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.653 -6.188 -6.887 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.968 -4.645 -5.452 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.542 -6.182 -5.832 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.113 -5.214 -4.931 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.284 -3.622 -4.772 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -6.674 -4.826 -3.708 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -4.857 -3.246 -3.551 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.009 -3.809 -3.013 1.00 0.00 C ATOM 0 H TRP A 73 -1.586 -5.093 -9.479 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.635 -6.856 -7.321 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.784 -4.357 -7.110 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.869 -4.379 -8.485 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.731 -6.841 -7.744 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.363 -6.778 -5.731 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.387 -3.162 -5.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.571 -5.287 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.370 -2.464 -2.988 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.389 -3.463 -2.063 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.601 -2.509 -11.437 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.887 -1.338 -10.959 1.00 0.00 C ATOM 1223 C TRP A 78 -2.523 -1.795 -10.439 1.00 0.00 C ATOM 1224 O TRP A 78 -2.314 -2.982 -10.193 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.707 -0.588 -9.907 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.116 -0.211 -10.369 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.521 0.110 -11.605 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.298 -0.131 -9.545 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.872 0.391 -11.638 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.359 0.240 -10.345 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.465 -0.363 -8.168 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.662 0.411 -9.861 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.772 -0.188 -7.699 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.851 0.185 -8.492 1.00 0.00 C ATOM 0 HA TRP A 78 -3.730 -0.625 -11.769 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.782 -1.205 -9.012 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.173 0.319 -9.624 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.872 0.145 -12.467 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.413 0.660 -12.460 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.649 -0.653 -7.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.476 0.701 -10.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.955 -0.354 -6.648 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.831 0.300 -8.054 1.00 0.00 H new ATOM 1245 N SER A 79 -1.629 -0.828 -10.287 1.00 0.00 N ATOM 1246 CA SER A 79 -0.290 -1.117 -9.800 1.00 0.00 C ATOM 1247 C SER A 79 0.129 -0.068 -8.768 1.00 0.00 C ATOM 1248 O SER A 79 -0.041 1.130 -8.992 1.00 0.00 O ATOM 1249 CB SER A 79 0.716 -1.161 -10.951 1.00 0.00 C ATOM 1250 OG SER A 79 0.181 -0.606 -12.150 1.00 0.00 O ATOM 0 H SER A 79 -1.805 0.155 -10.492 1.00 0.00 H new ATOM 0 HA SER A 79 -0.302 -2.099 -9.326 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.615 -0.613 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.015 -2.193 -11.132 1.00 0.00 H new ATOM 0 HG SER A 79 0.855 -0.651 -12.860 1.00 0.00 H new ATOM 1256 N VAL A 80 0.668 -0.555 -7.661 1.00 0.00 N ATOM 1257 CA VAL A 80 1.112 0.325 -6.594 1.00 0.00 C ATOM 1258 C VAL A 80 2.570 0.010 -6.253 1.00 0.00 C ATOM 1259 O VAL A 80 2.989 -1.145 -6.310 1.00 0.00 O ATOM 1260 CB VAL A 80 0.176 0.203 -5.390 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.283 -1.184 -4.751 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.457 1.302 -4.364 1.00 0.00 C ATOM 0 H VAL A 80 0.808 -1.549 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 80 1.071 1.366 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.846 0.330 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.392 -1.244 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.011 -1.944 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.307 -1.352 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.222 1.192 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.487 1.220 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.307 2.278 -4.826 1.00 0.00 H new ATOM 1272 N THR A 81 3.303 1.058 -5.906 1.00 0.00 N ATOM 1273 CA THR A 81 4.705 0.907 -5.555 1.00 0.00 C ATOM 1274 C THR A 81 5.014 1.658 -4.259 1.00 0.00 C ATOM 1275 O THR A 81 4.568 2.789 -4.071 1.00 0.00 O ATOM 1276 CB THR A 81 5.543 1.378 -6.745 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.073 0.590 -7.835 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.017 0.990 -6.614 1.00 0.00 C ATOM 0 H THR A 81 2.952 2.015 -5.860 1.00 0.00 H new ATOM 0 HA THR A 81 4.953 -0.136 -5.356 1.00 0.00 H new ATOM 0 HB THR A 81 5.460 2.461 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.296 -0.351 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.566 1.348 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.433 1.440 -5.712 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.104 -0.095 -6.552 1.00 0.00 H new ATOM 1286 N PHE A 82 5.776 1.000 -3.398 1.00 0.00 N ATOM 1287 CA PHE A 82 6.150 1.591 -2.125 1.00 0.00 C ATOM 1288 C PHE A 82 7.617 2.029 -2.133 1.00 0.00 C ATOM 1289 O PHE A 82 8.433 1.463 -2.859 1.00 0.00 O ATOM 1290 CB PHE A 82 5.959 0.513 -1.057 1.00 0.00 C ATOM 1291 CG PHE A 82 4.546 -0.073 -1.011 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.501 0.702 -0.616 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.336 -1.370 -1.365 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.189 0.158 -0.574 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.024 -1.913 -1.322 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.979 -1.138 -0.928 1.00 0.00 C ATOM 0 H PHE A 82 6.145 0.062 -3.557 1.00 0.00 H new ATOM 0 HA PHE A 82 5.537 2.471 -1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.670 -0.293 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.198 0.936 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.668 1.731 -0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.166 -1.986 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.359 0.774 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.857 -2.942 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.982 -1.552 -0.896 1.00 0.00 H new ATOM 1306 N HIS A 83 7.906 3.032 -1.318 1.00 0.00 N ATOM 1307 CA HIS A 83 9.260 3.552 -1.222 1.00 0.00 C ATOM 1308 C HIS A 83 9.567 3.920 0.231 1.00 0.00 C ATOM 1309 O HIS A 83 8.973 4.847 0.779 1.00 0.00 O ATOM 1310 CB HIS A 83 9.461 4.724 -2.186 1.00 0.00 C ATOM 1311 CG HIS A 83 9.606 4.312 -3.631 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.833 4.229 -4.268 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.668 3.960 -4.556 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.629 3.845 -5.519 1.00 0.00 C ATOM 1315 NE2 HIS A 83 9.287 3.679 -5.696 1.00 0.00 N ATOM 0 H HIS A 83 7.226 3.499 -0.718 1.00 0.00 H new ATOM 0 HA HIS A 83 9.971 2.783 -1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.614 5.404 -2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.350 5.279 -1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.602 3.917 -4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.392 3.690 -6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.834 3.387 -6.562 1.00 0.00 H new ATOM 1323 N LEU A 84 10.494 3.174 0.813 1.00 0.00 N ATOM 1324 CA LEU A 84 10.887 3.410 2.192 1.00 0.00 C ATOM 1325 C LEU A 84 12.231 4.140 2.216 1.00 0.00 C ATOM 1326 O LEU A 84 13.008 4.051 1.267 1.00 0.00 O ATOM 1327 CB LEU A 84 10.885 2.099 2.981 1.00 0.00 C ATOM 1328 CG LEU A 84 9.523 1.629 3.496 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.940 0.543 2.589 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.616 1.170 4.952 1.00 0.00 C ATOM 0 H LEU A 84 10.984 2.406 0.355 1.00 0.00 H new ATOM 0 HA LEU A 84 10.164 4.056 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.302 1.316 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.555 2.210 3.833 1.00 0.00 H new ATOM 0 HG LEU A 84 8.836 2.475 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.972 0.226 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.815 0.939 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.617 -0.311 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.634 0.841 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.322 0.343 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.958 1.998 5.573 1.00 0.00 H new ATOM 1342 N LYS A 85 12.465 4.847 3.313 1.00 0.00 N ATOM 1343 CA LYS A 85 13.702 5.592 3.473 1.00 0.00 C ATOM 1344 C LYS A 85 13.834 6.045 4.929 1.00 0.00 C ATOM 1345 O LYS A 85 13.030 6.841 5.410 1.00 0.00 O ATOM 1346 CB LYS A 85 13.771 6.740 2.464 1.00 0.00 C ATOM 1347 CG LYS A 85 12.514 7.609 2.535 1.00 0.00 C ATOM 1348 CD LYS A 85 12.197 8.227 1.172 1.00 0.00 C ATOM 1349 CE LYS A 85 12.406 9.743 1.195 1.00 0.00 C ATOM 1350 NZ LYS A 85 11.579 10.396 0.155 1.00 0.00 N ATOM 0 H LYS A 85 11.819 4.919 4.099 1.00 0.00 H new ATOM 0 HA LYS A 85 14.560 4.956 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.651 7.351 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.883 6.338 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.670 7.007 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.655 8.399 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.834 7.780 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.166 8.003 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.144 10.137 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.458 9.974 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.733 11.424 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.848 10.032 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.575 10.191 0.331 1.00 0.00 H new ATOM 1364 N GLU A 86 14.855 5.518 5.589 1.00 0.00 N ATOM 1365 CA GLU A 86 15.102 5.857 6.980 1.00 0.00 C ATOM 1366 C GLU A 86 15.578 7.307 7.095 1.00 0.00 C ATOM 1367 O GLU A 86 16.381 7.767 6.285 1.00 0.00 O ATOM 1368 CB GLU A 86 16.114 4.897 7.607 1.00 0.00 C ATOM 1369 CG GLU A 86 16.037 4.940 9.134 1.00 0.00 C ATOM 1370 CD GLU A 86 17.080 5.901 9.709 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.810 6.501 8.891 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.123 6.014 10.953 1.00 0.00 O ATOM 0 H GLU A 86 15.521 4.859 5.186 1.00 0.00 H new ATOM 0 HA GLU A 86 14.167 5.756 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.922 3.882 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.121 5.161 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.040 5.253 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.197 3.940 9.538 1.00 0.00 H new ATOM 1379 N GLU A 87 15.062 7.987 8.109 1.00 0.00 N ATOM 1380 CA GLU A 87 15.425 9.374 8.341 1.00 0.00 C ATOM 1381 C GLU A 87 16.326 9.489 9.572 1.00 0.00 C ATOM 1382 O GLU A 87 16.796 8.481 10.097 1.00 0.00 O ATOM 1383 CB GLU A 87 14.178 10.249 8.491 1.00 0.00 C ATOM 1384 CG GLU A 87 14.191 11.399 7.482 1.00 0.00 C ATOM 1385 CD GLU A 87 14.646 12.702 8.142 1.00 0.00 C ATOM 1386 OE1 GLU A 87 15.878 12.895 8.227 1.00 0.00 O ATOM 1387 OE2 GLU A 87 13.752 13.476 8.546 1.00 0.00 O ATOM 0 H GLU A 87 14.396 7.603 8.779 1.00 0.00 H new ATOM 0 HA GLU A 87 15.980 9.734 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.284 9.643 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.130 10.649 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.857 11.154 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.194 11.529 7.061 1.00 0.00 H new ATOM 1394 N GLU A 88 16.540 10.726 9.996 1.00 0.00 N ATOM 1395 CA GLU A 88 17.377 10.986 11.155 1.00 0.00 C ATOM 1396 C GLU A 88 17.073 9.978 12.265 1.00 0.00 C ATOM 1397 O GLU A 88 17.871 9.079 12.528 1.00 0.00 O ATOM 1398 CB GLU A 88 17.195 12.421 11.652 1.00 0.00 C ATOM 1399 CG GLU A 88 18.096 13.387 10.880 1.00 0.00 C ATOM 1400 CD GLU A 88 19.013 14.159 11.831 1.00 0.00 C ATOM 1401 OE1 GLU A 88 18.486 15.055 12.525 1.00 0.00 O ATOM 1402 OE2 GLU A 88 20.220 13.836 11.842 1.00 0.00 O ATOM 0 H GLU A 88 16.148 11.559 9.558 1.00 0.00 H new ATOM 0 HA GLU A 88 18.420 10.869 10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.153 12.720 11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.427 12.473 12.716 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.697 12.832 10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.483 14.087 10.312 1.00 0.00 H new ATOM 1409 N ASN A 89 15.918 10.161 12.887 1.00 0.00 N ATOM 1410 CA ASN A 89 15.499 9.279 13.963 1.00 0.00 C ATOM 1411 C ASN A 89 14.069 8.802 13.698 1.00 0.00 C ATOM 1412 O ASN A 89 13.179 9.009 14.522 1.00 0.00 O ATOM 1413 CB ASN A 89 15.512 10.007 15.309 1.00 0.00 C ATOM 1414 CG ASN A 89 15.724 9.024 16.462 1.00 0.00 C ATOM 1415 OD1 ASN A 89 14.790 8.482 17.029 1.00 0.00 O ATOM 1416 ND2 ASN A 89 17.001 8.824 16.775 1.00 0.00 N ATOM 0 H ASN A 89 15.259 10.907 12.666 1.00 0.00 H new ATOM 0 HA ASN A 89 16.193 8.439 14.000 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.304 10.755 15.314 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.571 10.539 15.448 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.247 8.184 17.530 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.735 9.310 16.260 1.00 0.00 H new ATOM 1423 N GLY A 90 13.893 8.173 12.546 1.00 0.00 N ATOM 1424 CA GLY A 90 12.587 7.665 12.162 1.00 0.00 C ATOM 1425 C GLY A 90 12.616 7.095 10.742 1.00 0.00 C ATOM 1426 O GLY A 90 13.600 7.260 10.023 1.00 0.00 O ATOM 0 H GLY A 90 14.633 8.003 11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.274 6.891 12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.850 8.466 12.221 1.00 0.00 H new ATOM 1430 N THR A 91 11.525 6.435 10.381 1.00 0.00 N ATOM 1431 CA THR A 91 11.413 5.840 9.060 1.00 0.00 C ATOM 1432 C THR A 91 10.374 6.590 8.224 1.00 0.00 C ATOM 1433 O THR A 91 9.361 7.047 8.751 1.00 0.00 O ATOM 1434 CB THR A 91 11.094 4.355 9.237 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.278 3.811 9.813 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.960 3.622 7.901 1.00 0.00 C ATOM 0 H THR A 91 10.711 6.299 10.980 1.00 0.00 H new ATOM 0 HA THR A 91 12.349 5.923 8.508 1.00 0.00 H new ATOM 0 HB THR A 91 10.170 4.248 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.174 3.759 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.733 2.572 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.155 4.071 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.896 3.700 7.347 1.00 0.00 H new ATOM 1444 N ILE A 92 10.661 6.692 6.935 1.00 0.00 N ATOM 1445 CA ILE A 92 9.764 7.378 6.021 1.00 0.00 C ATOM 1446 C ILE A 92 9.145 6.361 5.060 1.00 0.00 C ATOM 1447 O ILE A 92 9.853 5.534 4.486 1.00 0.00 O ATOM 1448 CB ILE A 92 10.491 8.526 5.317 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.134 9.472 6.333 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.553 9.264 4.360 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.100 9.984 7.337 1.00 0.00 C ATOM 0 H ILE A 92 11.502 6.311 6.502 1.00 0.00 H new ATOM 0 HA ILE A 92 8.943 7.840 6.569 1.00 0.00 H new ATOM 0 HB ILE A 92 11.296 8.103 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.934 8.954 6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.589 10.315 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.095 10.075 3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.183 8.570 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.712 9.674 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.584 10.654 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.314 10.523 6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.664 9.141 7.873 1.00 0.00 H new ATOM 1463 N PHE A 93 7.832 6.455 4.914 1.00 0.00 N ATOM 1464 CA PHE A 93 7.111 5.552 4.033 1.00 0.00 C ATOM 1465 C PHE A 93 6.375 6.327 2.938 1.00 0.00 C ATOM 1466 O PHE A 93 5.670 7.294 3.223 1.00 0.00 O ATOM 1467 CB PHE A 93 6.085 4.811 4.893 1.00 0.00 C ATOM 1468 CG PHE A 93 5.394 3.650 4.175 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.565 3.897 3.125 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.607 2.372 4.587 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.923 2.819 2.459 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.965 1.295 3.921 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.137 1.541 2.871 1.00 0.00 C ATOM 0 H PHE A 93 7.248 7.142 5.391 1.00 0.00 H new ATOM 0 HA PHE A 93 7.809 4.867 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.582 4.429 5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.328 5.520 5.229 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.395 4.912 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.265 2.176 5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.265 3.015 1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.134 0.280 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.649 0.721 2.364 1.00 0.00 H new ATOM 1483 N THR A 94 6.563 5.874 1.707 1.00 0.00 N ATOM 1484 CA THR A 94 5.926 6.513 0.568 1.00 0.00 C ATOM 1485 C THR A 94 5.153 5.483 -0.257 1.00 0.00 C ATOM 1486 O THR A 94 5.637 4.375 -0.487 1.00 0.00 O ATOM 1487 CB THR A 94 7.008 7.242 -0.231 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.410 8.310 0.624 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.448 7.946 -1.468 1.00 0.00 C ATOM 0 H THR A 94 7.148 5.072 1.473 1.00 0.00 H new ATOM 0 HA THR A 94 5.187 7.248 0.889 1.00 0.00 H new ATOM 0 HB THR A 94 7.776 6.531 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.112 8.834 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.257 8.448 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.983 7.211 -2.126 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.704 8.682 -1.162 1.00 0.00 H new ATOM 1497 N ILE A 95 3.963 5.884 -0.681 1.00 0.00 N ATOM 1498 CA ILE A 95 3.118 5.009 -1.475 1.00 0.00 C ATOM 1499 C ILE A 95 2.822 5.677 -2.820 1.00 0.00 C ATOM 1500 O ILE A 95 2.663 6.894 -2.891 1.00 0.00 O ATOM 1501 CB ILE A 95 1.861 4.622 -0.692 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.849 3.914 -1.595 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.253 5.840 0.006 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.117 4.918 -2.228 1.00 0.00 C ATOM 0 H ILE A 95 3.564 6.803 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 95 3.634 4.073 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 95 2.148 3.915 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.375 3.367 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.289 3.181 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.361 5.537 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.980 6.263 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.984 6.589 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.826 4.389 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.659 5.446 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.444 5.635 -2.827 1.00 0.00 H new ATOM 1516 N VAL A 96 2.759 4.850 -3.853 1.00 0.00 N ATOM 1517 CA VAL A 96 2.486 5.345 -5.192 1.00 0.00 C ATOM 1518 C VAL A 96 1.489 4.412 -5.882 1.00 0.00 C ATOM 1519 O VAL A 96 1.757 3.223 -6.047 1.00 0.00 O ATOM 1520 CB VAL A 96 3.795 5.501 -5.969 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.540 6.083 -7.361 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.796 6.357 -5.191 1.00 0.00 C ATOM 0 H VAL A 96 2.892 3.841 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 96 2.030 6.334 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 96 4.230 4.510 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.486 6.184 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.880 5.418 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.072 7.063 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.717 6.452 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.372 7.346 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.013 5.883 -4.233 1.00 0.00 H new ATOM 1532 N HIS A 97 0.358 4.987 -6.267 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.680 4.222 -6.935 1.00 0.00 C ATOM 1534 C HIS A 97 -1.040 4.894 -8.262 1.00 0.00 C ATOM 1535 O HIS A 97 -1.317 6.092 -8.299 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.891 4.033 -6.019 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.818 2.921 -6.447 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.188 2.973 -6.261 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.557 1.727 -7.054 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.718 1.856 -6.738 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.705 1.085 -7.228 1.00 0.00 N ATOM 0 H HIS A 97 0.139 5.974 -6.129 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.310 3.222 -7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.540 3.830 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.453 4.966 -5.980 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.703 3.741 -5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.581 1.366 -7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.767 1.601 -6.739 1.00 0.00 H new ATOM 1549 N SER A 98 -1.023 4.094 -9.318 1.00 0.00 N ATOM 1550 CA SER A 98 -1.344 4.597 -10.643 1.00 0.00 C ATOM 1551 C SER A 98 -2.087 3.526 -11.443 1.00 0.00 C ATOM 1552 O SER A 98 -2.135 2.365 -11.038 1.00 0.00 O ATOM 1553 CB SER A 98 -0.080 5.035 -11.386 1.00 0.00 C ATOM 1554 OG SER A 98 0.700 5.949 -10.621 1.00 0.00 O ATOM 0 H SER A 98 -0.792 3.101 -9.283 1.00 0.00 H new ATOM 0 HA SER A 98 -1.988 5.469 -10.532 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.521 4.158 -11.626 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.358 5.500 -12.332 1.00 0.00 H new ATOM 0 HG SER A 98 1.498 6.203 -11.129 1.00 0.00 H new ATOM 1889 N MET A 121 -10.710 5.651 -2.659 1.00 0.00 N ATOM 1890 CA MET A 121 -9.537 4.814 -2.472 1.00 0.00 C ATOM 1891 C MET A 121 -8.342 5.643 -1.996 1.00 0.00 C ATOM 1892 O MET A 121 -7.569 5.197 -1.149 1.00 0.00 O ATOM 1893 CB MET A 121 -9.186 4.124 -3.791 1.00 0.00 C ATOM 1894 CG MET A 121 -9.468 2.622 -3.715 1.00 0.00 C ATOM 1895 SD MET A 121 -8.097 1.782 -2.941 1.00 0.00 S ATOM 1896 CE MET A 121 -7.822 0.477 -4.128 1.00 0.00 C ATOM 0 HA MET A 121 -9.764 4.068 -1.711 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.765 4.566 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.134 4.289 -4.023 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.382 2.443 -3.148 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.631 2.223 -4.716 1.00 0.00 H new ATOM 0 HE1 MET A 121 -6.992 -0.147 -3.797 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.722 -0.132 -4.215 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.583 0.912 -5.098 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.227 6.836 -2.562 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.139 7.731 -2.206 1.00 0.00 C ATOM 1908 C ASP A 122 -7.184 8.010 -0.703 1.00 0.00 C ATOM 1909 O ASP A 122 -6.196 7.805 0.000 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.265 9.068 -2.939 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.266 10.141 -2.502 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.137 10.330 -1.273 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.653 10.749 -3.406 1.00 0.00 O ATOM 0 H ASP A 122 -8.869 7.203 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.202 7.251 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.142 8.892 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.275 9.452 -2.793 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.342 8.472 -0.253 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.528 8.781 1.154 1.00 0.00 C ATOM 1920 C ARG A 123 -8.190 7.562 2.014 1.00 0.00 C ATOM 1921 O ARG A 123 -7.436 7.670 2.981 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.969 9.211 1.437 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.125 10.727 1.300 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.168 11.262 2.284 1.00 0.00 C ATOM 1925 NE ARG A 123 -12.000 12.295 1.628 1.00 0.00 N ATOM 1926 CZ ARG A 123 -12.769 12.070 0.555 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -12.817 10.846 0.010 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -13.491 13.067 0.026 1.00 0.00 N ATOM 0 H ARG A 123 -9.160 8.640 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.859 9.604 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.645 8.708 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.254 8.902 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.166 11.213 1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.421 10.975 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.798 10.446 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.672 11.684 3.158 1.00 0.00 H new ATOM 0 HE ARG A 123 -11.987 13.238 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.268 10.087 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -13.403 10.674 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -13.455 13.998 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -14.076 12.895 -0.791 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.762 6.430 1.632 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.530 5.192 2.356 1.00 0.00 C ATOM 1944 C GLY A 124 -7.064 4.766 2.259 1.00 0.00 C ATOM 1945 O GLY A 124 -6.508 4.220 3.211 1.00 0.00 O ATOM 0 H GLY A 124 -9.386 6.344 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.806 5.321 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.168 4.406 1.953 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.479 5.033 1.101 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.088 4.684 0.867 1.00 0.00 C ATOM 1951 C TRP A 125 -4.242 5.369 1.942 1.00 0.00 C ATOM 1952 O TRP A 125 -3.474 4.713 2.644 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.662 5.054 -0.555 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.500 3.853 -1.489 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.189 3.577 -2.605 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.557 2.770 -1.342 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.761 2.400 -3.185 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.737 1.894 -2.392 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.584 2.539 -0.353 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.981 0.727 -2.556 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.836 1.369 -0.531 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.005 0.477 -1.583 1.00 0.00 C ATOM 0 H TRP A 125 -6.943 5.487 0.314 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.942 3.606 0.943 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.401 5.734 -0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.718 5.597 -0.511 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -5.980 4.197 -3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.128 1.979 -4.038 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.426 3.211 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.142 0.056 -3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.074 1.144 0.201 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.386 -0.406 -1.650 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.411 6.680 2.037 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.673 7.461 3.014 1.00 0.00 C ATOM 1975 C HIS A 126 -4.029 6.987 4.425 1.00 0.00 C ATOM 1976 O HIS A 126 -3.148 6.632 5.206 1.00 0.00 O ATOM 1977 CB HIS A 126 -3.918 8.958 2.812 1.00 0.00 C ATOM 1978 CG HIS A 126 -2.763 9.833 3.238 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.442 9.433 3.135 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -2.746 11.089 3.767 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -0.673 10.413 3.586 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.482 11.438 3.978 1.00 0.00 N ATOM 0 H HIS A 126 -5.049 7.221 1.453 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.603 7.306 2.875 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.131 9.142 1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.807 9.249 3.372 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -3.613 11.697 3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.406 10.402 3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.168 12.326 4.369 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.323 6.997 4.708 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.807 6.573 6.011 1.00 0.00 C ATOM 1992 C ASP A 127 -5.251 5.184 6.330 1.00 0.00 C ATOM 1993 O ASP A 127 -4.969 4.875 7.486 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.335 6.487 6.030 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.001 7.074 7.276 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.247 7.558 8.147 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.248 7.025 7.329 1.00 0.00 O ATOM 0 H ASP A 127 -6.051 7.292 4.058 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.478 7.306 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.724 7.003 5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.626 5.440 5.940 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.111 4.384 5.283 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.593 3.035 5.437 1.00 0.00 C ATOM 2004 C LEU A 128 -3.090 3.098 5.712 1.00 0.00 C ATOM 2005 O LEU A 128 -2.551 2.259 6.432 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.961 2.179 4.223 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.243 0.832 4.110 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.404 0.016 5.394 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.717 0.060 2.877 1.00 0.00 C ATOM 0 H LEU A 128 -5.347 4.644 4.325 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.053 2.546 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.035 1.995 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.755 2.755 3.321 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.178 1.022 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.885 -0.936 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.980 0.569 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.463 -0.167 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -4.191 -0.893 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.789 -0.121 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -4.508 0.643 1.980 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.455 4.101 5.124 1.00 0.00 N ATOM 2022 CA VAL A 129 -1.024 4.285 5.297 1.00 0.00 C ATOM 2023 C VAL A 129 -0.774 5.507 6.183 1.00 0.00 C ATOM 2024 O VAL A 129 0.213 6.219 6.001 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.340 4.387 3.931 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.522 5.782 3.331 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.142 4.021 4.031 1.00 0.00 C ATOM 0 H VAL A 129 -2.905 4.795 4.527 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.587 3.423 5.801 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.817 3.670 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.027 5.828 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.585 5.989 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.084 6.525 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.604 4.102 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.639 4.702 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.240 2.998 4.395 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.685 5.713 7.122 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.576 6.836 8.037 1.00 0.00 C ATOM 2039 C ASN A 130 -1.513 6.314 9.474 1.00 0.00 C ATOM 2040 O ASN A 130 -0.560 6.596 10.199 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.791 7.759 7.923 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.389 9.128 7.368 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.531 10.154 8.013 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.882 9.085 6.139 1.00 0.00 N ATOM 0 H ASN A 130 -2.502 5.121 7.269 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.674 7.392 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.538 7.304 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.253 7.881 8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.584 9.946 5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.791 8.191 5.656 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.540 5.563 9.843 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.613 4.999 11.180 1.00 0.00 C ATOM 2053 C GLU A 131 -2.573 3.471 11.114 1.00 0.00 C ATOM 2054 O GLU A 131 -1.733 2.840 11.755 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.865 5.484 11.912 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.107 6.973 11.658 1.00 0.00 C ATOM 2057 CD GLU A 131 -4.316 7.726 12.974 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -3.290 8.096 13.585 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -5.496 7.915 13.338 1.00 0.00 O ATOM 0 H GLU A 131 -3.329 5.332 9.239 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.747 5.341 11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.730 4.910 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.756 5.307 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.257 7.397 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.981 7.099 11.019 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.491 2.919 10.334 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.571 1.477 10.176 1.00 0.00 C ATOM 2068 C ARG A 132 -2.168 0.871 10.118 1.00 0.00 C ATOM 2069 O ARG A 132 -1.822 0.018 10.935 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.334 1.104 8.904 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.815 1.465 9.026 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.672 0.211 9.210 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.061 0.067 10.631 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.042 0.767 11.215 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.741 1.664 10.505 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -8.326 0.571 12.510 1.00 0.00 N ATOM 0 H ARG A 132 -4.186 3.445 9.804 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.107 1.078 11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.899 1.623 8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.231 0.036 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.961 2.137 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.137 2.002 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.563 0.275 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.117 -0.669 8.885 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.550 -0.607 11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.526 1.814 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.488 2.197 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -7.795 -0.111 13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -9.073 1.104 12.955 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.397 1.335 9.146 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.039 0.848 8.971 1.00 0.00 C ATOM 2092 C LEU A 133 0.812 1.284 10.165 1.00 0.00 C ATOM 2093 O LEU A 133 1.579 0.490 10.709 1.00 0.00 O ATOM 2094 CB LEU A 133 0.521 1.298 7.620 1.00 0.00 C ATOM 2095 CG LEU A 133 2.020 1.075 7.408 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.426 -0.343 7.811 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.424 1.400 5.968 1.00 0.00 C ATOM 0 H LEU A 133 -1.687 2.043 8.471 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.025 -0.242 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.019 0.773 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.311 2.361 7.498 1.00 0.00 H new ATOM 0 HG LEU A 133 2.563 1.762 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.496 -0.475 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.195 -0.502 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.877 -1.064 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.494 1.233 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.874 0.756 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.192 2.443 5.751 1.00 0.00 H new ATOM 2109 N ARG A 134 0.649 2.545 10.539 1.00 0.00 N ATOM 2110 CA ARG A 134 1.393 3.096 11.659 1.00 0.00 C ATOM 2111 C ARG A 134 1.257 2.189 12.884 1.00 0.00 C ATOM 2112 O ARG A 134 2.226 1.974 13.611 1.00 0.00 O ATOM 2113 CB ARG A 134 0.895 4.498 12.014 1.00 0.00 C ATOM 2114 CG ARG A 134 1.862 5.197 12.972 1.00 0.00 C ATOM 2115 CD ARG A 134 1.102 5.968 14.053 1.00 0.00 C ATOM 2116 NE ARG A 134 1.228 7.424 13.821 1.00 0.00 N ATOM 2117 CZ ARG A 134 2.376 8.106 13.933 1.00 0.00 C ATOM 2118 NH1 ARG A 134 3.504 7.468 14.276 1.00 0.00 N ATOM 2119 NH2 ARG A 134 2.397 9.426 13.703 1.00 0.00 N ATOM 0 H ARG A 134 0.012 3.201 10.086 1.00 0.00 H new ATOM 0 HA ARG A 134 2.440 3.159 11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.786 5.090 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.092 4.432 12.472 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.515 4.459 13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.501 5.881 12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.051 5.680 14.045 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.495 5.713 15.037 1.00 0.00 H new ATOM 0 HE ARG A 134 0.388 7.941 13.559 1.00 0.00 H new ATOM 0 HH11 ARG A 134 3.488 6.463 14.452 1.00 0.00 H new ATOM 0 HH12 ARG A 134 4.378 7.987 14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 134 1.539 9.912 13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 134 3.271 9.945 13.788 1.00 0.00 H new ATOM 2133 N GLN A 135 0.048 1.681 13.074 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.226 0.803 14.198 1.00 0.00 C ATOM 2135 C GLN A 135 0.641 -0.455 14.113 1.00 0.00 C ATOM 2136 O GLN A 135 1.012 -1.028 15.136 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.712 0.441 14.261 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.367 1.030 15.512 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.446 0.093 16.058 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.235 -1.092 16.253 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.611 0.690 16.293 1.00 0.00 N ATOM 0 H GLN A 135 -0.753 1.861 12.468 1.00 0.00 H new ATOM 0 HA GLN A 135 0.025 1.332 15.117 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.219 0.814 13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.826 -0.643 14.262 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.609 1.203 16.276 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.807 1.998 15.275 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -4.720 1.687 16.107 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.396 0.151 16.659 1.00 0.00 H new ATOM 2150 N ILE A 136 0.939 -0.847 12.883 1.00 0.00 N ATOM 2151 CA ILE A 136 1.756 -2.027 12.651 1.00 0.00 C ATOM 2152 C ILE A 136 3.155 -1.794 13.225 1.00 0.00 C ATOM 2153 O ILE A 136 3.875 -2.746 13.519 1.00 0.00 O ATOM 2154 CB ILE A 136 1.754 -2.396 11.166 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.326 -2.501 10.628 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.556 -3.675 10.918 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.482 -3.534 11.417 1.00 0.00 C ATOM 0 H ILE A 136 0.630 -0.369 12.037 1.00 0.00 H new ATOM 0 HA ILE A 136 1.337 -2.889 13.171 1.00 0.00 H new ATOM 0 HB ILE A 136 2.247 -1.595 10.615 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.162 -1.528 10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.350 -2.780 9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.539 -3.915 9.855 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.587 -3.526 11.240 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.115 -4.496 11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.493 -3.589 11.015 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.004 -4.510 11.334 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.524 -3.239 12.466 1.00 0.00 H new ATOM 2169 N VAL A 137 3.497 -0.522 13.368 1.00 0.00 N ATOM 2170 CA VAL A 137 4.797 -0.152 13.902 1.00 0.00 C ATOM 2171 C VAL A 137 4.611 0.520 15.264 1.00 0.00 C ATOM 2172 O VAL A 137 5.573 0.692 16.011 1.00 0.00 O ATOM 2173 CB VAL A 137 5.544 0.728 12.897 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.920 -0.067 11.645 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.721 1.966 12.535 1.00 0.00 C ATOM 0 H VAL A 137 2.897 0.265 13.123 1.00 0.00 H new ATOM 0 HA VAL A 137 5.413 -1.038 14.058 1.00 0.00 H new ATOM 0 HB VAL A 137 6.467 1.066 13.368 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.450 0.582 10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.563 -0.902 11.924 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.016 -0.448 11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.274 2.574 11.820 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.774 1.657 12.093 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.527 2.550 13.435 1.00 0.00 H new ATOM 2185 N GLU A 138 3.368 0.882 15.545 1.00 0.00 N ATOM 2186 CA GLU A 138 3.044 1.531 16.804 1.00 0.00 C ATOM 2187 C GLU A 138 2.191 0.606 17.674 1.00 0.00 C ATOM 2188 O GLU A 138 1.535 1.059 18.611 1.00 0.00 O ATOM 2189 CB GLU A 138 2.336 2.866 16.566 1.00 0.00 C ATOM 2190 CG GLU A 138 3.326 4.031 16.632 1.00 0.00 C ATOM 2191 CD GLU A 138 3.216 4.768 17.968 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.068 4.927 18.437 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.283 5.156 18.491 1.00 0.00 O ATOM 0 H GLU A 138 2.573 0.738 14.922 1.00 0.00 H new ATOM 0 HA GLU A 138 3.974 1.739 17.333 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.847 2.854 15.592 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.554 3.005 17.313 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.342 3.658 16.501 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.133 4.724 15.813 1.00 0.00 H new