USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 45 ASN : amide:sc= -0.509 K(o=-4.2,f=-4.7) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.7! C(o=-4.2!,f=-4.8!) USER MOD Set 2.1: A 42 CYS SG : rot 3:sc= 1.2 USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.43! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 50:sc= 0.434 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.921 K(o=-0.92,f=-3!) USER MOD Single : A 62 MET CE :methyl 170:sc= -0.0028 (180deg=-0.216) USER MOD Single : A 69 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.35) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 45:sc= 0.839 USER MOD Single : A 85 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 87 THR OG1 : rot -113:sc= -2.37! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N VAL A 9 17.966 -5.721 1.242 1.00 0.00 N ATOM 81 CA VAL A 9 17.391 -4.672 2.075 1.00 0.00 C ATOM 82 C VAL A 9 16.411 -5.250 3.090 1.00 0.00 C ATOM 83 O VAL A 9 15.589 -6.104 2.757 1.00 0.00 O ATOM 84 CB VAL A 9 16.665 -3.613 1.223 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.862 -2.673 2.108 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.662 -2.839 0.374 1.00 0.00 C ATOM 0 HA VAL A 9 18.219 -4.199 2.603 1.00 0.00 H new ATOM 0 HB VAL A 9 15.971 -4.123 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.357 -1.932 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.121 -3.244 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.532 -2.168 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.133 -2.095 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.382 -2.339 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.187 -3.527 -0.288 1.00 0.00 H new ATOM 96 N ARG A 10 16.505 -4.778 4.329 1.00 0.00 N ATOM 97 CA ARG A 10 15.627 -5.249 5.394 1.00 0.00 C ATOM 98 C ARG A 10 14.483 -4.268 5.629 1.00 0.00 C ATOM 99 O ARG A 10 14.704 -3.068 5.796 1.00 0.00 O ATOM 100 CB ARG A 10 16.419 -5.445 6.688 1.00 0.00 C ATOM 101 CG ARG A 10 17.365 -6.634 6.649 1.00 0.00 C ATOM 102 CD ARG A 10 16.605 -7.951 6.673 1.00 0.00 C ATOM 103 NE ARG A 10 16.307 -8.387 8.034 1.00 0.00 N ATOM 104 CZ ARG A 10 15.202 -8.047 8.689 1.00 0.00 C ATOM 105 NH1 ARG A 10 14.296 -7.272 8.110 1.00 0.00 N ATOM 106 NH2 ARG A 10 15.002 -8.483 9.926 1.00 0.00 N ATOM 0 H ARG A 10 17.180 -4.070 4.620 1.00 0.00 H new ATOM 0 HA ARG A 10 15.205 -6.206 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.993 -4.541 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.721 -5.574 7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.979 -6.583 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.044 -6.589 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.675 -7.843 6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.192 -8.718 6.167 1.00 0.00 H new ATOM 0 HE ARG A 10 16.984 -8.985 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.446 -6.935 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.449 -7.013 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.697 -9.080 10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.153 -8.221 10.428 1.00 0.00 H new ATOM 120 N PHE A 11 13.259 -4.785 5.639 1.00 0.00 N ATOM 121 CA PHE A 11 12.079 -3.955 5.852 1.00 0.00 C ATOM 122 C PHE A 11 12.160 -3.228 7.191 1.00 0.00 C ATOM 123 O PHE A 11 11.705 -3.738 8.214 1.00 0.00 O ATOM 124 CB PHE A 11 10.811 -4.810 5.799 1.00 0.00 C ATOM 125 CG PHE A 11 10.222 -4.923 4.422 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.768 -3.797 3.753 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.122 -6.155 3.796 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.225 -3.899 2.487 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.580 -6.263 2.529 1.00 0.00 C ATOM 130 CZ PHE A 11 9.132 -5.134 1.874 1.00 0.00 C ATOM 0 H PHE A 11 13.058 -5.776 5.502 1.00 0.00 H new ATOM 0 HA PHE A 11 12.041 -3.211 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.040 -5.809 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.066 -4.383 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.840 -2.829 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.472 -7.042 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.873 -3.014 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.507 -7.229 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.709 -5.216 0.884 1.00 0.00 H new ATOM 140 N GLN A 12 12.744 -2.034 7.175 1.00 0.00 N ATOM 141 CA GLN A 12 12.886 -1.237 8.388 1.00 0.00 C ATOM 142 C GLN A 12 11.521 -0.847 8.946 1.00 0.00 C ATOM 143 O GLN A 12 11.137 -1.284 10.030 1.00 0.00 O ATOM 144 CB GLN A 12 13.712 0.019 8.104 1.00 0.00 C ATOM 145 CG GLN A 12 14.139 0.763 9.359 1.00 0.00 C ATOM 146 CD GLN A 12 15.022 -0.075 10.262 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.582 -1.086 9.837 1.00 0.00 O ATOM 148 NE2 GLN A 12 15.153 0.342 11.516 1.00 0.00 N ATOM 0 H GLN A 12 13.126 -1.598 6.336 1.00 0.00 H new ATOM 0 HA GLN A 12 13.403 -1.843 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.600 -0.261 7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.130 0.691 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.673 1.670 9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.253 1.075 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.671 1.186 11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.736 -0.181 12.169 1.00 0.00 H new ATOM 157 N GLU A 13 10.795 -0.022 8.198 1.00 0.00 N ATOM 158 CA GLU A 13 9.473 0.427 8.620 1.00 0.00 C ATOM 159 C GLU A 13 8.418 0.067 7.579 1.00 0.00 C ATOM 160 O GLU A 13 7.857 0.941 6.919 1.00 0.00 O ATOM 161 CB GLU A 13 9.476 1.938 8.858 1.00 0.00 C ATOM 162 CG GLU A 13 8.472 2.391 9.905 1.00 0.00 C ATOM 163 CD GLU A 13 7.045 2.371 9.392 1.00 0.00 C ATOM 164 OE1 GLU A 13 6.734 3.158 8.473 1.00 0.00 O ATOM 165 OE2 GLU A 13 6.240 1.569 9.909 1.00 0.00 O ATOM 0 H GLU A 13 11.099 0.349 7.298 1.00 0.00 H new ATOM 0 HA GLU A 13 9.226 -0.080 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.475 2.247 9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.262 2.446 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.549 1.745 10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.723 3.400 10.231 1.00 0.00 H new ATOM 172 N ALA A 14 8.153 -1.228 7.437 1.00 0.00 N ATOM 173 CA ALA A 14 7.165 -1.705 6.477 1.00 0.00 C ATOM 174 C ALA A 14 5.795 -1.094 6.751 1.00 0.00 C ATOM 175 O ALA A 14 5.605 -0.387 7.742 1.00 0.00 O ATOM 176 CB ALA A 14 7.084 -3.224 6.513 1.00 0.00 C ATOM 0 H ALA A 14 8.609 -1.965 7.975 1.00 0.00 H new ATOM 0 HA ALA A 14 7.481 -1.393 5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.342 -3.566 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.057 -3.646 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.795 -3.549 7.512 1.00 0.00 H new ATOM 182 N LEU A 15 4.842 -1.368 5.866 1.00 0.00 N ATOM 183 CA LEU A 15 3.489 -0.844 6.012 1.00 0.00 C ATOM 184 C LEU A 15 2.926 -1.166 7.393 1.00 0.00 C ATOM 185 O LEU A 15 3.372 -2.104 8.054 1.00 0.00 O ATOM 186 CB LEU A 15 2.577 -1.425 4.930 1.00 0.00 C ATOM 187 CG LEU A 15 3.010 -1.179 3.484 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.523 -2.302 2.582 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.491 0.165 2.993 1.00 0.00 C ATOM 0 H LEU A 15 4.982 -1.950 5.040 1.00 0.00 H new ATOM 0 HA LEU A 15 3.532 0.239 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.500 -2.501 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.578 -1.011 5.064 1.00 0.00 H new ATOM 0 HG LEU A 15 4.099 -1.160 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.841 -2.109 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.944 -3.249 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.435 -2.354 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.809 0.323 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.402 0.175 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.890 0.961 3.622 1.00 0.00 H new ATOM 201 N LYS A 16 1.943 -0.382 7.823 1.00 0.00 N ATOM 202 CA LYS A 16 1.316 -0.584 9.124 1.00 0.00 C ATOM 203 C LYS A 16 -0.186 -0.325 9.050 1.00 0.00 C ATOM 204 O LYS A 16 -0.663 0.357 8.143 1.00 0.00 O ATOM 205 CB LYS A 16 1.953 0.335 10.168 1.00 0.00 C ATOM 206 CG LYS A 16 1.800 1.813 9.852 1.00 0.00 C ATOM 207 CD LYS A 16 2.435 2.681 10.924 1.00 0.00 C ATOM 208 CE LYS A 16 2.046 4.142 10.762 1.00 0.00 C ATOM 209 NZ LYS A 16 2.880 5.037 11.612 1.00 0.00 N ATOM 0 H LYS A 16 1.563 0.400 7.289 1.00 0.00 H new ATOM 0 HA LYS A 16 1.473 -1.622 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.505 0.132 11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.014 0.098 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.260 2.029 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.742 2.059 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.127 2.329 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.520 2.585 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.152 4.432 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.995 4.269 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.583 6.024 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.760 4.777 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.880 4.935 11.346 1.00 0.00 H new ATOM 223 N ASP A 17 -0.923 -0.871 10.010 1.00 0.00 N ATOM 224 CA ASP A 17 -2.370 -0.696 10.055 1.00 0.00 C ATOM 225 C ASP A 17 -2.748 0.768 9.847 1.00 0.00 C ATOM 226 O ASP A 17 -2.140 1.666 10.431 1.00 0.00 O ATOM 227 CB ASP A 17 -2.924 -1.193 11.392 1.00 0.00 C ATOM 228 CG ASP A 17 -4.341 -1.719 11.272 1.00 0.00 C ATOM 229 OD1 ASP A 17 -4.557 -2.668 10.490 1.00 0.00 O ATOM 230 OD2 ASP A 17 -5.234 -1.181 11.959 1.00 0.00 O ATOM 0 H ASP A 17 -0.543 -1.438 10.768 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.807 -1.284 9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.278 -1.981 11.779 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.902 -0.379 12.116 1.00 0.00 H new ATOM 235 N LEU A 18 -3.753 1.001 9.011 1.00 0.00 N ATOM 236 CA LEU A 18 -4.211 2.356 8.724 1.00 0.00 C ATOM 237 C LEU A 18 -5.720 2.473 8.916 1.00 0.00 C ATOM 238 O LEU A 18 -6.466 1.538 8.624 1.00 0.00 O ATOM 239 CB LEU A 18 -3.835 2.751 7.295 1.00 0.00 C ATOM 240 CG LEU A 18 -4.183 4.181 6.880 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.116 5.151 7.364 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.345 4.274 5.370 1.00 0.00 C ATOM 0 H LEU A 18 -4.267 0.269 8.520 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.721 3.034 9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.761 2.609 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.329 2.064 6.608 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.131 4.453 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.380 6.164 7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.048 5.105 8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.154 4.881 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.592 5.299 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.413 3.982 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.145 3.608 5.048 1.00 0.00 H new ATOM 254 N GLU A 19 -6.162 3.627 9.405 1.00 0.00 N ATOM 255 CA GLU A 19 -7.582 3.865 9.634 1.00 0.00 C ATOM 256 C GLU A 19 -8.112 4.941 8.690 1.00 0.00 C ATOM 257 O GLU A 19 -7.666 6.088 8.724 1.00 0.00 O ATOM 258 CB GLU A 19 -7.824 4.281 11.086 1.00 0.00 C ATOM 259 CG GLU A 19 -9.278 4.175 11.515 1.00 0.00 C ATOM 260 CD GLU A 19 -9.633 5.150 12.621 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.345 6.355 12.465 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.198 4.708 13.644 1.00 0.00 O ATOM 0 H GLU A 19 -5.558 4.411 9.650 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.117 2.936 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.215 3.658 11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.488 5.309 11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.921 4.358 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.480 3.159 11.853 1.00 0.00 H new ATOM 269 N VAL A 20 -9.067 4.562 7.846 1.00 0.00 N ATOM 270 CA VAL A 20 -9.658 5.493 6.893 1.00 0.00 C ATOM 271 C VAL A 20 -11.151 5.230 6.723 1.00 0.00 C ATOM 272 O VAL A 20 -11.622 4.109 6.919 1.00 0.00 O ATOM 273 CB VAL A 20 -8.972 5.399 5.517 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.428 6.535 4.615 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.459 5.407 5.676 1.00 0.00 C ATOM 0 H VAL A 20 -9.447 3.617 7.803 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.511 6.495 7.296 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.260 4.458 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.933 6.452 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.508 6.479 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.171 7.490 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.990 5.340 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.149 6.331 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.153 4.556 6.284 1.00 0.00 H new ATOM 285 N LEU A 21 -11.890 6.271 6.356 1.00 0.00 N ATOM 286 CA LEU A 21 -13.331 6.154 6.159 1.00 0.00 C ATOM 287 C LEU A 21 -13.652 5.733 4.728 1.00 0.00 C ATOM 288 O LEU A 21 -12.871 5.979 3.809 1.00 0.00 O ATOM 289 CB LEU A 21 -14.019 7.482 6.479 1.00 0.00 C ATOM 290 CG LEU A 21 -15.519 7.409 6.766 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.932 8.508 7.733 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.316 7.505 5.474 1.00 0.00 C ATOM 0 H LEU A 21 -11.516 7.205 6.189 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.705 5.386 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.525 7.925 7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.862 8.161 5.640 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.733 6.446 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.003 8.440 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.387 8.392 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.703 9.481 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.381 7.451 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.097 8.452 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.042 6.681 4.815 1.00 0.00 H new ATOM 304 N GLU A 22 -14.807 5.101 4.548 1.00 0.00 N ATOM 305 CA GLU A 22 -15.231 4.648 3.228 1.00 0.00 C ATOM 306 C GLU A 22 -15.575 5.833 2.330 1.00 0.00 C ATOM 307 O GLU A 22 -15.875 6.924 2.813 1.00 0.00 O ATOM 308 CB GLU A 22 -16.440 3.717 3.348 1.00 0.00 C ATOM 309 CG GLU A 22 -17.770 4.450 3.390 1.00 0.00 C ATOM 310 CD GLU A 22 -18.957 3.508 3.345 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.759 2.294 3.565 1.00 0.00 O ATOM 312 OE2 GLU A 22 -20.083 3.983 3.089 1.00 0.00 O ATOM 0 H GLU A 22 -15.465 4.891 5.298 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.403 4.101 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.442 3.027 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.337 3.116 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.821 5.050 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.827 5.140 2.548 1.00 0.00 H new ATOM 319 N GLY A 23 -15.528 5.609 1.021 1.00 0.00 N ATOM 320 CA GLY A 23 -15.836 6.667 0.076 1.00 0.00 C ATOM 321 C GLY A 23 -14.740 7.711 -0.002 1.00 0.00 C ATOM 322 O GLY A 23 -15.000 8.872 -0.317 1.00 0.00 O ATOM 0 H GLY A 23 -15.282 4.714 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.992 6.234 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.771 7.147 0.365 1.00 0.00 H new ATOM 326 N GLY A 24 -13.510 7.299 0.286 1.00 0.00 N ATOM 327 CA GLY A 24 -12.389 8.220 0.243 1.00 0.00 C ATOM 328 C GLY A 24 -11.165 7.613 -0.414 1.00 0.00 C ATOM 329 O GLY A 24 -11.276 6.907 -1.415 1.00 0.00 O ATOM 0 H GLY A 24 -13.269 6.343 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.681 9.118 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.137 8.529 1.258 1.00 0.00 H new ATOM 333 N ALA A 25 -9.994 7.891 0.150 1.00 0.00 N ATOM 334 CA ALA A 25 -8.744 7.368 -0.388 1.00 0.00 C ATOM 335 C ALA A 25 -7.830 6.875 0.729 1.00 0.00 C ATOM 336 O ALA A 25 -7.809 7.441 1.821 1.00 0.00 O ATOM 337 CB ALA A 25 -8.041 8.431 -1.218 1.00 0.00 C ATOM 0 H ALA A 25 -9.885 8.475 0.979 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.980 6.519 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.109 8.027 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.685 8.733 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.824 9.297 -0.592 1.00 0.00 H new ATOM 343 N ALA A 26 -7.077 5.817 0.447 1.00 0.00 N ATOM 344 CA ALA A 26 -6.160 5.250 1.427 1.00 0.00 C ATOM 345 C ALA A 26 -4.708 5.469 1.013 1.00 0.00 C ATOM 346 O ALA A 26 -4.293 5.065 -0.073 1.00 0.00 O ATOM 347 CB ALA A 26 -6.439 3.766 1.614 1.00 0.00 C ATOM 0 H ALA A 26 -7.084 5.336 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.321 5.762 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.747 3.355 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.462 3.629 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.308 3.249 0.664 1.00 0.00 H new ATOM 353 N THR A 27 -3.940 6.113 1.887 1.00 0.00 N ATOM 354 CA THR A 27 -2.535 6.388 1.611 1.00 0.00 C ATOM 355 C THR A 27 -1.629 5.660 2.597 1.00 0.00 C ATOM 356 O THR A 27 -1.642 5.944 3.795 1.00 0.00 O ATOM 357 CB THR A 27 -2.236 7.897 1.674 1.00 0.00 C ATOM 358 OG1 THR A 27 -3.189 8.620 0.887 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.830 8.192 1.172 1.00 0.00 C ATOM 0 H THR A 27 -4.267 6.454 2.791 1.00 0.00 H new ATOM 0 HA THR A 27 -2.334 6.027 0.602 1.00 0.00 H new ATOM 0 HB THR A 27 -2.308 8.215 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.992 9.579 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.642 9.264 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.104 7.665 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.735 7.859 0.139 1.00 0.00 H new ATOM 367 N LEU A 28 -0.841 4.720 2.086 1.00 0.00 N ATOM 368 CA LEU A 28 0.074 3.951 2.922 1.00 0.00 C ATOM 369 C LEU A 28 1.514 4.415 2.723 1.00 0.00 C ATOM 370 O LEU A 28 1.837 5.057 1.724 1.00 0.00 O ATOM 371 CB LEU A 28 -0.042 2.460 2.601 1.00 0.00 C ATOM 372 CG LEU A 28 -1.448 1.864 2.680 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.169 2.018 1.350 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.384 0.399 3.089 1.00 0.00 C ATOM 0 H LEU A 28 -0.817 4.472 1.097 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.200 4.115 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.345 2.294 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.603 1.910 3.286 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.010 2.408 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.168 1.588 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.247 3.076 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.609 1.501 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.394 -0.009 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.804 -0.159 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.909 0.314 4.066 1.00 0.00 H new ATOM 386 N ARG A 29 2.374 4.083 3.680 1.00 0.00 N ATOM 387 CA ARG A 29 3.780 4.465 3.610 1.00 0.00 C ATOM 388 C ARG A 29 4.667 3.389 4.230 1.00 0.00 C ATOM 389 O ARG A 29 4.209 2.588 5.046 1.00 0.00 O ATOM 390 CB ARG A 29 4.004 5.800 4.322 1.00 0.00 C ATOM 391 CG ARG A 29 3.716 7.011 3.451 1.00 0.00 C ATOM 392 CD ARG A 29 4.071 8.307 4.163 1.00 0.00 C ATOM 393 NE ARG A 29 2.995 8.762 5.040 1.00 0.00 N ATOM 394 CZ ARG A 29 1.947 9.460 4.616 1.00 0.00 C ATOM 395 NH1 ARG A 29 1.834 9.781 3.335 1.00 0.00 N ATOM 396 NH2 ARG A 29 1.009 9.837 5.475 1.00 0.00 N ATOM 0 H ARG A 29 2.122 3.551 4.513 1.00 0.00 H new ATOM 0 HA ARG A 29 4.050 4.573 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.369 5.841 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.037 5.849 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.284 6.937 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.661 7.022 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.979 8.162 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.288 9.079 3.424 1.00 0.00 H new ATOM 0 HE ARG A 29 3.051 8.531 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.553 9.492 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.028 10.317 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.092 9.591 6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.205 10.373 5.149 1.00 0.00 H new ATOM 410 N CYS A 30 5.936 3.378 3.838 1.00 0.00 N ATOM 411 CA CYS A 30 6.887 2.400 4.354 1.00 0.00 C ATOM 412 C CYS A 30 8.316 2.786 3.988 1.00 0.00 C ATOM 413 O CYS A 30 8.633 2.996 2.817 1.00 0.00 O ATOM 414 CB CYS A 30 6.566 1.008 3.809 1.00 0.00 C ATOM 415 SG CYS A 30 6.583 0.900 2.004 1.00 0.00 S ATOM 0 H CYS A 30 6.330 4.035 3.165 1.00 0.00 H new ATOM 0 HA CYS A 30 6.801 2.385 5.440 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.287 0.297 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.583 0.705 4.171 1.00 0.00 H new ATOM 0 HG CYS A 30 6.302 -0.316 1.639 1.00 0.00 H new ATOM 421 N VAL A 31 9.176 2.880 4.998 1.00 0.00 N ATOM 422 CA VAL A 31 10.572 3.241 4.782 1.00 0.00 C ATOM 423 C VAL A 31 11.479 2.021 4.894 1.00 0.00 C ATOM 424 O VAL A 31 11.510 1.349 5.925 1.00 0.00 O ATOM 425 CB VAL A 31 11.038 4.307 5.791 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.470 4.728 5.500 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.105 5.509 5.765 1.00 0.00 C ATOM 0 H VAL A 31 8.930 2.711 5.973 1.00 0.00 H new ATOM 0 HA VAL A 31 10.641 3.650 3.774 1.00 0.00 H new ATOM 0 HB VAL A 31 11.008 3.874 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.782 5.482 6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.126 3.861 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.530 5.144 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.449 6.252 6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.101 5.945 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.095 5.192 6.026 1.00 0.00 H new ATOM 437 N LEU A 32 12.217 1.740 3.825 1.00 0.00 N ATOM 438 CA LEU A 32 13.127 0.600 3.803 1.00 0.00 C ATOM 439 C LEU A 32 14.472 0.964 4.423 1.00 0.00 C ATOM 440 O LEU A 32 14.717 2.121 4.763 1.00 0.00 O ATOM 441 CB LEU A 32 13.330 0.113 2.367 1.00 0.00 C ATOM 442 CG LEU A 32 12.057 -0.138 1.557 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.390 -0.330 0.086 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.310 -1.348 2.099 1.00 0.00 C ATOM 0 H LEU A 32 12.203 2.285 2.963 1.00 0.00 H new ATOM 0 HA LEU A 32 12.681 -0.201 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.935 0.849 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.906 -0.812 2.396 1.00 0.00 H new ATOM 0 HG LEU A 32 11.411 0.735 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.472 -0.507 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.881 0.565 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.056 -1.186 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.407 -1.512 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.949 -2.229 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.038 -1.172 3.140 1.00 0.00 H new ATOM 456 N SER A 33 15.341 -0.032 4.566 1.00 0.00 N ATOM 457 CA SER A 33 16.661 0.184 5.147 1.00 0.00 C ATOM 458 C SER A 33 17.433 1.241 4.363 1.00 0.00 C ATOM 459 O SER A 33 18.236 1.985 4.928 1.00 0.00 O ATOM 460 CB SER A 33 17.451 -1.127 5.171 1.00 0.00 C ATOM 461 OG SER A 33 18.566 -1.034 6.040 1.00 0.00 O ATOM 0 H SER A 33 15.155 -0.995 4.288 1.00 0.00 H new ATOM 0 HA SER A 33 16.528 0.539 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.802 -1.941 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.790 -1.370 4.164 1.00 0.00 H new ATOM 0 HG SER A 33 19.053 -1.884 6.039 1.00 0.00 H new ATOM 467 N SER A 34 17.185 1.301 3.059 1.00 0.00 N ATOM 468 CA SER A 34 17.859 2.264 2.196 1.00 0.00 C ATOM 469 C SER A 34 17.158 2.366 0.845 1.00 0.00 C ATOM 470 O SER A 34 16.169 1.678 0.592 1.00 0.00 O ATOM 471 CB SER A 34 19.322 1.864 1.995 1.00 0.00 C ATOM 472 OG SER A 34 20.075 2.938 1.459 1.00 0.00 O ATOM 0 H SER A 34 16.522 0.694 2.577 1.00 0.00 H new ATOM 0 HA SER A 34 17.820 3.239 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.752 1.554 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.379 1.006 1.325 1.00 0.00 H new ATOM 0 HG SER A 34 21.007 2.658 1.342 1.00 0.00 H new ATOM 478 N VAL A 35 17.678 3.231 -0.021 1.00 0.00 N ATOM 479 CA VAL A 35 17.104 3.424 -1.347 1.00 0.00 C ATOM 480 C VAL A 35 17.105 2.123 -2.141 1.00 0.00 C ATOM 481 O VAL A 35 18.160 1.620 -2.527 1.00 0.00 O ATOM 482 CB VAL A 35 17.872 4.498 -2.140 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.376 4.558 -3.577 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.741 5.855 -1.465 1.00 0.00 C ATOM 0 H VAL A 35 18.496 3.809 0.173 1.00 0.00 H new ATOM 0 HA VAL A 35 16.076 3.756 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 35 18.928 4.227 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.930 5.322 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.528 3.590 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.314 4.804 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.290 6.601 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.689 6.137 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.150 5.801 -0.456 1.00 0.00 H new ATOM 494 N ALA A 36 15.915 1.582 -2.382 1.00 0.00 N ATOM 495 CA ALA A 36 15.779 0.340 -3.133 1.00 0.00 C ATOM 496 C ALA A 36 14.663 0.444 -4.167 1.00 0.00 C ATOM 497 O ALA A 36 13.503 0.667 -3.823 1.00 0.00 O ATOM 498 CB ALA A 36 15.518 -0.822 -2.187 1.00 0.00 C ATOM 0 H ALA A 36 15.032 1.984 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 36 16.714 0.160 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.418 -1.743 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.350 -0.917 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.598 -0.639 -1.632 1.00 0.00 H new ATOM 504 N ALA A 37 15.023 0.281 -5.437 1.00 0.00 N ATOM 505 CA ALA A 37 14.051 0.355 -6.521 1.00 0.00 C ATOM 506 C ALA A 37 14.676 -0.065 -7.847 1.00 0.00 C ATOM 507 O ALA A 37 15.894 -0.183 -7.977 1.00 0.00 O ATOM 508 CB ALA A 37 13.483 1.763 -6.625 1.00 0.00 C ATOM 0 H ALA A 37 15.980 0.097 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 37 13.239 -0.337 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.759 1.804 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.992 2.027 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.291 2.468 -6.823 1.00 0.00 H new ATOM 514 N PRO A 38 13.823 -0.297 -8.856 1.00 0.00 N ATOM 515 CA PRO A 38 12.371 -0.161 -8.713 1.00 0.00 C ATOM 516 C PRO A 38 11.771 -1.247 -7.826 1.00 0.00 C ATOM 517 O PRO A 38 12.328 -2.337 -7.700 1.00 0.00 O ATOM 518 CB PRO A 38 11.858 -0.299 -10.149 1.00 0.00 C ATOM 519 CG PRO A 38 12.904 -1.096 -10.849 1.00 0.00 C ATOM 520 CD PRO A 38 14.212 -0.712 -10.215 1.00 0.00 C ATOM 0 HA PRO A 38 12.095 0.779 -8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.891 -0.802 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.724 0.676 -10.617 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.717 -2.164 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.910 -0.879 -11.917 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.910 -1.549 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.700 0.097 -10.758 1.00 0.00 H new ATOM 528 N VAL A 39 10.632 -0.941 -7.214 1.00 0.00 N ATOM 529 CA VAL A 39 9.955 -1.892 -6.340 1.00 0.00 C ATOM 530 C VAL A 39 8.722 -2.481 -7.017 1.00 0.00 C ATOM 531 O VAL A 39 8.218 -1.933 -7.998 1.00 0.00 O ATOM 532 CB VAL A 39 9.533 -1.233 -5.013 1.00 0.00 C ATOM 533 CG1 VAL A 39 9.123 -2.290 -3.999 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.658 -0.366 -4.468 1.00 0.00 C ATOM 0 H VAL A 39 10.158 -0.042 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 39 10.667 -2.691 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 39 8.671 -0.593 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.828 -1.806 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.284 -2.864 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.963 -2.958 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.343 0.092 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.540 -0.982 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.898 0.414 -5.190 1.00 0.00 H new ATOM 544 N LYS A 40 8.241 -3.600 -6.488 1.00 0.00 N ATOM 545 CA LYS A 40 7.065 -4.264 -7.039 1.00 0.00 C ATOM 546 C LYS A 40 5.881 -4.155 -6.084 1.00 0.00 C ATOM 547 O LYS A 40 6.055 -4.121 -4.866 1.00 0.00 O ATOM 548 CB LYS A 40 7.371 -5.736 -7.323 1.00 0.00 C ATOM 549 CG LYS A 40 6.170 -6.523 -7.817 1.00 0.00 C ATOM 550 CD LYS A 40 6.585 -7.853 -8.422 1.00 0.00 C ATOM 551 CE LYS A 40 5.376 -8.684 -8.824 1.00 0.00 C ATOM 552 NZ LYS A 40 4.825 -9.455 -7.675 1.00 0.00 N ATOM 0 H LYS A 40 8.647 -4.067 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 40 6.803 -3.767 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.165 -5.796 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.751 -6.201 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.483 -6.698 -6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.631 -5.937 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.213 -7.677 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.187 -8.409 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.603 -8.029 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.657 -9.372 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.003 -10.008 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.554 -10.099 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.533 -8.798 -6.924 1.00 0.00 H new ATOM 566 N TRP A 41 4.678 -4.101 -6.644 1.00 0.00 N ATOM 567 CA TRP A 41 3.465 -3.998 -5.841 1.00 0.00 C ATOM 568 C TRP A 41 2.460 -5.076 -6.232 1.00 0.00 C ATOM 569 O TRP A 41 2.299 -5.389 -7.412 1.00 0.00 O ATOM 570 CB TRP A 41 2.836 -2.613 -6.006 1.00 0.00 C ATOM 571 CG TRP A 41 3.350 -1.606 -5.022 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.457 -0.817 -5.160 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.780 -1.282 -3.750 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.608 -0.022 -4.050 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.592 -0.288 -3.170 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.661 -1.734 -3.045 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.319 0.260 -1.920 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.392 -1.189 -1.803 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.217 -0.201 -1.251 1.00 0.00 C ATOM 0 H TRP A 41 4.516 -4.127 -7.651 1.00 0.00 H new ATOM 0 HA TRP A 41 3.737 -4.144 -4.796 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.027 -2.253 -7.017 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.755 -2.698 -5.897 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.116 -0.818 -6.016 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.356 0.657 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.018 -2.495 -3.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.954 1.022 -1.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.531 -1.531 -1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.979 0.205 -0.279 1.00 0.00 H new ATOM 590 N CYS A 42 1.788 -5.641 -5.235 1.00 0.00 N ATOM 591 CA CYS A 42 0.798 -6.685 -5.475 1.00 0.00 C ATOM 592 C CYS A 42 -0.252 -6.704 -4.369 1.00 0.00 C ATOM 593 O CYS A 42 0.079 -6.649 -3.184 1.00 0.00 O ATOM 594 CB CYS A 42 1.480 -8.050 -5.572 1.00 0.00 C ATOM 595 SG CYS A 42 2.042 -8.709 -3.984 1.00 0.00 S ATOM 0 H CYS A 42 1.911 -5.394 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 42 0.299 -6.468 -6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.786 -8.760 -6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.335 -7.970 -6.243 1.00 0.00 H new ATOM 0 HG CYS A 42 1.687 -7.901 -3.029 1.00 0.00 H new ATOM 601 N TYR A 43 -1.518 -6.782 -4.763 1.00 0.00 N ATOM 602 CA TYR A 43 -2.617 -6.805 -3.805 1.00 0.00 C ATOM 603 C TYR A 43 -3.386 -8.119 -3.889 1.00 0.00 C ATOM 604 O TYR A 43 -4.102 -8.372 -4.856 1.00 0.00 O ATOM 605 CB TYR A 43 -3.564 -5.630 -4.056 1.00 0.00 C ATOM 606 CG TYR A 43 -4.976 -5.878 -3.578 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.311 -5.742 -2.236 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.977 -6.249 -4.468 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.600 -5.969 -1.795 1.00 0.00 C ATOM 610 CE2 TYR A 43 -7.269 -6.477 -4.036 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.576 -6.336 -2.699 1.00 0.00 C ATOM 612 OH TYR A 43 -8.862 -6.561 -2.263 1.00 0.00 O ATOM 0 H TYR A 43 -1.809 -6.830 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.195 -6.716 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.171 -4.744 -3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.584 -5.412 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.550 -5.454 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.740 -6.361 -5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.843 -5.860 -0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -8.035 -6.764 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.159 -5.804 -1.716 1.00 0.00 H new ATOM 622 N GLY A 44 -3.231 -8.954 -2.865 1.00 0.00 N ATOM 623 CA GLY A 44 -3.917 -10.233 -2.841 1.00 0.00 C ATOM 624 C GLY A 44 -3.358 -11.210 -3.857 1.00 0.00 C ATOM 625 O GLY A 44 -2.336 -11.850 -3.615 1.00 0.00 O ATOM 0 H GLY A 44 -2.643 -8.767 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.838 -10.666 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.978 -10.077 -3.037 1.00 0.00 H new ATOM 629 N ASN A 45 -4.032 -11.325 -4.997 1.00 0.00 N ATOM 630 CA ASN A 45 -3.598 -12.232 -6.053 1.00 0.00 C ATOM 631 C ASN A 45 -3.499 -11.504 -7.390 1.00 0.00 C ATOM 632 O ASN A 45 -3.957 -12.005 -8.416 1.00 0.00 O ATOM 633 CB ASN A 45 -4.566 -13.411 -6.171 1.00 0.00 C ATOM 634 CG ASN A 45 -5.995 -12.963 -6.407 1.00 0.00 C ATOM 635 OD1 ASN A 45 -6.362 -12.582 -7.519 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.810 -13.008 -5.360 1.00 0.00 N ATOM 0 H ASN A 45 -4.880 -10.802 -5.213 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.609 -12.608 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.250 -14.056 -6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.521 -14.008 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.783 -12.720 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.463 -13.331 -4.457 1.00 0.00 H new ATOM 643 N ASN A 46 -2.898 -10.319 -7.370 1.00 0.00 N ATOM 644 CA ASN A 46 -2.740 -9.521 -8.580 1.00 0.00 C ATOM 645 C ASN A 46 -1.638 -8.481 -8.406 1.00 0.00 C ATOM 646 O ASN A 46 -1.300 -8.100 -7.285 1.00 0.00 O ATOM 647 CB ASN A 46 -4.057 -8.830 -8.937 1.00 0.00 C ATOM 648 CG ASN A 46 -5.232 -9.790 -8.940 1.00 0.00 C ATOM 649 OD1 ASN A 46 -5.878 -10.000 -7.913 1.00 0.00 O ATOM 650 ND2 ASN A 46 -5.512 -10.377 -10.097 1.00 0.00 N ATOM 0 H ASN A 46 -2.512 -9.890 -6.529 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.458 -10.191 -9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.248 -8.028 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.967 -8.368 -9.920 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.290 -11.033 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.949 -10.172 -10.922 1.00 0.00 H new ATOM 657 N VAL A 47 -1.080 -8.024 -9.523 1.00 0.00 N ATOM 658 CA VAL A 47 -0.017 -7.027 -9.494 1.00 0.00 C ATOM 659 C VAL A 47 -0.564 -5.633 -9.781 1.00 0.00 C ATOM 660 O VAL A 47 -1.128 -5.382 -10.847 1.00 0.00 O ATOM 661 CB VAL A 47 1.087 -7.354 -10.517 1.00 0.00 C ATOM 662 CG1 VAL A 47 0.562 -7.202 -11.937 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.301 -6.466 -10.292 1.00 0.00 C ATOM 0 H VAL A 47 -1.347 -8.329 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 47 0.410 -7.048 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 47 1.392 -8.391 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.356 -7.437 -12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.275 -7.883 -12.090 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.228 -6.176 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.071 -6.711 -11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.013 -5.421 -10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.690 -6.629 -9.287 1.00 0.00 H new ATOM 673 N LEU A 48 -0.394 -4.728 -8.824 1.00 0.00 N ATOM 674 CA LEU A 48 -0.870 -3.357 -8.973 1.00 0.00 C ATOM 675 C LEU A 48 -0.006 -2.586 -9.965 1.00 0.00 C ATOM 676 O LEU A 48 1.222 -2.681 -9.940 1.00 0.00 O ATOM 677 CB LEU A 48 -0.869 -2.646 -7.619 1.00 0.00 C ATOM 678 CG LEU A 48 -1.956 -3.078 -6.633 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.749 -2.408 -5.284 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.336 -2.754 -7.186 1.00 0.00 C ATOM 0 H LEU A 48 0.070 -4.919 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.889 -3.392 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.102 -2.803 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.970 -1.575 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.887 -4.157 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.531 -2.727 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.776 -2.690 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.791 -1.326 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.097 -3.068 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.418 -1.680 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.483 -3.281 -8.128 1.00 0.00 H new ATOM 692 N ARG A 49 -0.654 -1.821 -10.837 1.00 0.00 N ATOM 693 CA ARG A 49 0.055 -1.032 -11.837 1.00 0.00 C ATOM 694 C ARG A 49 -0.341 0.439 -11.750 1.00 0.00 C ATOM 695 O ARG A 49 -1.490 0.783 -11.474 1.00 0.00 O ATOM 696 CB ARG A 49 -0.237 -1.567 -13.240 1.00 0.00 C ATOM 697 CG ARG A 49 0.256 -2.987 -13.466 1.00 0.00 C ATOM 698 CD ARG A 49 0.061 -3.422 -14.910 1.00 0.00 C ATOM 699 NE ARG A 49 -1.252 -4.022 -15.129 1.00 0.00 N ATOM 700 CZ ARG A 49 -2.349 -3.317 -15.380 1.00 0.00 C ATOM 701 NH1 ARG A 49 -2.291 -1.994 -15.443 1.00 0.00 N ATOM 702 NH2 ARG A 49 -3.508 -3.935 -15.568 1.00 0.00 N ATOM 0 H ARG A 49 -1.669 -1.731 -10.871 1.00 0.00 H new ATOM 0 HA ARG A 49 1.123 -1.115 -11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.312 -1.532 -13.416 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.228 -0.909 -13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.312 -3.052 -13.205 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.279 -3.668 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.180 -2.561 -15.567 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.837 -4.139 -15.180 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.331 -5.038 -15.087 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.402 -1.515 -15.299 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.135 -1.455 -15.636 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.557 -4.953 -15.520 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.350 -3.392 -15.761 1.00 0.00 H new ATOM 716 N PRO A 50 0.634 1.329 -11.989 1.00 0.00 N ATOM 717 CA PRO A 50 0.412 2.778 -11.943 1.00 0.00 C ATOM 718 C PRO A 50 -0.455 3.268 -13.099 1.00 0.00 C ATOM 719 O PRO A 50 -0.194 2.955 -14.259 1.00 0.00 O ATOM 720 CB PRO A 50 1.824 3.357 -12.051 1.00 0.00 C ATOM 721 CG PRO A 50 2.611 2.307 -12.756 1.00 0.00 C ATOM 722 CD PRO A 50 2.027 0.991 -12.324 1.00 0.00 C ATOM 0 HA PRO A 50 -0.119 3.081 -11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.826 4.294 -12.608 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.241 3.570 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.542 2.428 -13.837 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.667 2.370 -12.495 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.080 0.248 -13.119 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.558 0.578 -11.466 1.00 0.00 H new ATOM 730 N GLY A 51 -1.487 4.040 -12.772 1.00 0.00 N ATOM 731 CA GLY A 51 -2.375 4.562 -13.794 1.00 0.00 C ATOM 732 C GLY A 51 -3.168 5.762 -13.316 1.00 0.00 C ATOM 733 O GLY A 51 -2.641 6.620 -12.607 1.00 0.00 O ATOM 0 H GLY A 51 -1.724 4.313 -11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.790 4.843 -14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.063 3.777 -14.108 1.00 0.00 H new ATOM 737 N ASP A 52 -4.436 5.825 -13.705 1.00 0.00 N ATOM 738 CA ASP A 52 -5.303 6.930 -13.312 1.00 0.00 C ATOM 739 C ASP A 52 -5.930 6.670 -11.946 1.00 0.00 C ATOM 740 O ASP A 52 -6.074 7.582 -11.132 1.00 0.00 O ATOM 741 CB ASP A 52 -6.399 7.144 -14.357 1.00 0.00 C ATOM 742 CG ASP A 52 -5.894 7.881 -15.582 1.00 0.00 C ATOM 743 OD1 ASP A 52 -5.443 9.036 -15.436 1.00 0.00 O ATOM 744 OD2 ASP A 52 -5.951 7.302 -16.688 1.00 0.00 O ATOM 0 H ASP A 52 -4.887 5.124 -14.292 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.693 7.831 -13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.803 6.178 -14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.219 7.707 -13.910 1.00 0.00 H new ATOM 749 N LYS A 53 -6.302 5.418 -11.701 1.00 0.00 N ATOM 750 CA LYS A 53 -6.914 5.036 -10.433 1.00 0.00 C ATOM 751 C LYS A 53 -5.877 5.006 -9.316 1.00 0.00 C ATOM 752 O LYS A 53 -5.952 5.785 -8.365 1.00 0.00 O ATOM 753 CB LYS A 53 -7.583 3.665 -10.560 1.00 0.00 C ATOM 754 CG LYS A 53 -8.470 3.310 -9.379 1.00 0.00 C ATOM 755 CD LYS A 53 -9.666 4.243 -9.279 1.00 0.00 C ATOM 756 CE LYS A 53 -10.674 3.748 -8.254 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.578 2.709 -8.822 1.00 0.00 N ATOM 0 H LYS A 53 -6.191 4.651 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.669 5.781 -10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.180 3.644 -11.472 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.812 2.902 -10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.817 2.282 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.889 3.362 -8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.328 5.242 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.147 4.326 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.145 3.338 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.268 4.588 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.250 2.397 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.101 3.107 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.014 1.896 -9.143 1.00 0.00 H new ATOM 771 N TYR A 54 -4.909 4.104 -9.437 1.00 0.00 N ATOM 772 CA TYR A 54 -3.857 3.972 -8.436 1.00 0.00 C ATOM 773 C TYR A 54 -2.742 4.984 -8.681 1.00 0.00 C ATOM 774 O TYR A 54 -2.483 5.376 -9.819 1.00 0.00 O ATOM 775 CB TYR A 54 -3.286 2.553 -8.449 1.00 0.00 C ATOM 776 CG TYR A 54 -4.326 1.479 -8.224 1.00 0.00 C ATOM 777 CD1 TYR A 54 -5.045 0.947 -9.286 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.588 0.997 -6.947 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.997 -0.034 -9.084 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.537 0.015 -6.736 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.239 -0.497 -7.808 1.00 0.00 C ATOM 782 OH TYR A 54 -7.185 -1.474 -7.602 1.00 0.00 O ATOM 0 H TYR A 54 -4.831 3.453 -10.219 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.295 4.171 -7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.795 2.377 -9.406 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.520 2.472 -7.678 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.857 1.306 -10.287 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.041 1.396 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.549 -0.436 -9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.728 -0.350 -5.738 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.231 -1.688 -6.647 1.00 0.00 H new ATOM 792 N SER A 55 -2.084 5.403 -7.605 1.00 0.00 N ATOM 793 CA SER A 55 -0.999 6.372 -7.701 1.00 0.00 C ATOM 794 C SER A 55 0.210 5.915 -6.890 1.00 0.00 C ATOM 795 O SER A 55 0.259 6.093 -5.672 1.00 0.00 O ATOM 796 CB SER A 55 -1.466 7.744 -7.212 1.00 0.00 C ATOM 797 OG SER A 55 -2.318 8.360 -8.162 1.00 0.00 O ATOM 0 H SER A 55 -2.284 5.086 -6.656 1.00 0.00 H new ATOM 0 HA SER A 55 -0.705 6.449 -8.748 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.992 7.636 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.601 8.381 -7.027 1.00 0.00 H new ATOM 0 HG SER A 55 -2.605 9.235 -7.826 1.00 0.00 H new ATOM 803 N LEU A 56 1.185 5.325 -7.574 1.00 0.00 N ATOM 804 CA LEU A 56 2.395 4.842 -6.918 1.00 0.00 C ATOM 805 C LEU A 56 3.592 5.721 -7.269 1.00 0.00 C ATOM 806 O LEU A 56 4.173 5.593 -8.347 1.00 0.00 O ATOM 807 CB LEU A 56 2.675 3.394 -7.324 1.00 0.00 C ATOM 808 CG LEU A 56 1.612 2.369 -6.927 1.00 0.00 C ATOM 809 CD1 LEU A 56 0.443 2.409 -7.900 1.00 0.00 C ATOM 810 CD2 LEU A 56 2.213 0.972 -6.871 1.00 0.00 C ATOM 0 H LEU A 56 1.161 5.170 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 56 2.238 4.887 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.799 3.359 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.625 3.091 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 56 1.242 2.624 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.304 1.673 -7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.004 3.403 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.798 2.179 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.442 0.255 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.611 0.708 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.017 0.951 -6.135 1.00 0.00 H new ATOM 822 N ARG A 57 3.955 6.610 -6.351 1.00 0.00 N ATOM 823 CA ARG A 57 5.083 7.509 -6.563 1.00 0.00 C ATOM 824 C ARG A 57 6.290 7.071 -5.738 1.00 0.00 C ATOM 825 O ARG A 57 6.298 7.204 -4.515 1.00 0.00 O ATOM 826 CB ARG A 57 4.696 8.943 -6.198 1.00 0.00 C ATOM 827 CG ARG A 57 3.615 9.529 -7.092 1.00 0.00 C ATOM 828 CD ARG A 57 3.478 11.030 -6.890 1.00 0.00 C ATOM 829 NE ARG A 57 2.356 11.583 -7.643 1.00 0.00 N ATOM 830 CZ ARG A 57 1.996 12.861 -7.594 1.00 0.00 C ATOM 831 NH1 ARG A 57 2.667 13.713 -6.832 1.00 0.00 N ATOM 832 NH2 ARG A 57 0.964 13.289 -8.309 1.00 0.00 N ATOM 0 H ARG A 57 3.485 6.727 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 57 5.352 7.470 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.352 8.965 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.583 9.575 -6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.852 9.321 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.663 9.044 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.343 11.242 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.400 11.523 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 57 1.819 10.954 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.462 13.388 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.389 14.694 -6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.446 12.637 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.689 14.270 -8.270 1.00 0.00 H new ATOM 846 N GLN A 58 7.306 6.548 -6.417 1.00 0.00 N ATOM 847 CA GLN A 58 8.517 6.089 -5.746 1.00 0.00 C ATOM 848 C GLN A 58 9.419 7.265 -5.387 1.00 0.00 C ATOM 849 O GLN A 58 9.546 8.218 -6.155 1.00 0.00 O ATOM 850 CB GLN A 58 9.274 5.102 -6.635 1.00 0.00 C ATOM 851 CG GLN A 58 10.423 4.402 -5.925 1.00 0.00 C ATOM 852 CD GLN A 58 11.718 5.187 -5.997 1.00 0.00 C ATOM 853 OE1 GLN A 58 11.877 6.068 -6.842 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.652 4.871 -5.108 1.00 0.00 N ATOM 0 H GLN A 58 7.315 6.432 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 58 8.224 5.586 -4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.576 4.352 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.664 5.633 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.157 4.243 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.574 3.418 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.478 4.134 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.544 5.366 -5.108 1.00 0.00 H new ATOM 863 N GLU A 59 10.044 7.190 -4.216 1.00 0.00 N ATOM 864 CA GLU A 59 10.934 8.250 -3.757 1.00 0.00 C ATOM 865 C GLU A 59 11.978 7.701 -2.789 1.00 0.00 C ATOM 866 O GLU A 59 11.658 7.316 -1.665 1.00 0.00 O ATOM 867 CB GLU A 59 10.131 9.363 -3.080 1.00 0.00 C ATOM 868 CG GLU A 59 10.905 10.660 -2.918 1.00 0.00 C ATOM 869 CD GLU A 59 10.896 11.506 -4.176 1.00 0.00 C ATOM 870 OE1 GLU A 59 11.641 11.172 -5.121 1.00 0.00 O ATOM 871 OE2 GLU A 59 10.144 12.502 -4.216 1.00 0.00 O ATOM 0 H GLU A 59 9.951 6.407 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 59 11.448 8.660 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.231 9.557 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.806 9.019 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.477 11.234 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.935 10.432 -2.645 1.00 0.00 H new ATOM 878 N GLY A 60 13.231 7.669 -3.235 1.00 0.00 N ATOM 879 CA GLY A 60 14.304 7.166 -2.398 1.00 0.00 C ATOM 880 C GLY A 60 13.955 5.845 -1.740 1.00 0.00 C ATOM 881 O GLY A 60 13.633 4.872 -2.420 1.00 0.00 O ATOM 0 H GLY A 60 13.521 7.983 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.203 7.042 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.536 7.902 -1.628 1.00 0.00 H new ATOM 885 N ALA A 61 14.022 5.811 -0.414 1.00 0.00 N ATOM 886 CA ALA A 61 13.711 4.600 0.336 1.00 0.00 C ATOM 887 C ALA A 61 12.323 4.684 0.963 1.00 0.00 C ATOM 888 O ALA A 61 12.163 4.488 2.167 1.00 0.00 O ATOM 889 CB ALA A 61 14.763 4.358 1.408 1.00 0.00 C ATOM 0 H ALA A 61 14.289 6.608 0.164 1.00 0.00 H new ATOM 0 HA ALA A 61 13.717 3.760 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.518 3.451 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.741 4.245 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.785 5.205 2.094 1.00 0.00 H new ATOM 895 N MET A 62 11.323 4.976 0.138 1.00 0.00 N ATOM 896 CA MET A 62 9.948 5.085 0.612 1.00 0.00 C ATOM 897 C MET A 62 8.960 4.823 -0.520 1.00 0.00 C ATOM 898 O MET A 62 9.170 5.256 -1.654 1.00 0.00 O ATOM 899 CB MET A 62 9.701 6.471 1.210 1.00 0.00 C ATOM 900 CG MET A 62 8.552 6.508 2.204 1.00 0.00 C ATOM 901 SD MET A 62 8.518 8.030 3.171 1.00 0.00 S ATOM 902 CE MET A 62 8.326 9.251 1.875 1.00 0.00 C ATOM 0 H MET A 62 11.439 5.141 -0.862 1.00 0.00 H new ATOM 0 HA MET A 62 9.795 4.331 1.385 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.610 6.811 1.705 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.495 7.174 0.403 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.609 6.402 1.667 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.633 5.655 2.878 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.111 10.223 2.320 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.246 9.313 1.294 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.503 8.961 1.221 1.00 0.00 H new ATOM 912 N LEU A 63 7.883 4.111 -0.206 1.00 0.00 N ATOM 913 CA LEU A 63 6.862 3.790 -1.197 1.00 0.00 C ATOM 914 C LEU A 63 5.499 4.321 -0.766 1.00 0.00 C ATOM 915 O LEU A 63 5.084 4.136 0.378 1.00 0.00 O ATOM 916 CB LEU A 63 6.788 2.278 -1.411 1.00 0.00 C ATOM 917 CG LEU A 63 8.117 1.573 -1.685 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.801 2.177 -2.902 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.025 1.654 -0.466 1.00 0.00 C ATOM 0 H LEU A 63 7.694 3.745 0.727 1.00 0.00 H new ATOM 0 HA LEU A 63 7.139 4.270 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.336 1.828 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.117 2.082 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 63 7.913 0.523 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.745 1.663 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.156 2.067 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.993 3.235 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.966 1.147 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.222 2.699 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.538 1.174 0.383 1.00 0.00 H new ATOM 931 N GLU A 64 4.807 4.980 -1.690 1.00 0.00 N ATOM 932 CA GLU A 64 3.489 5.537 -1.404 1.00 0.00 C ATOM 933 C GLU A 64 2.443 4.978 -2.365 1.00 0.00 C ATOM 934 O GLU A 64 2.678 4.886 -3.571 1.00 0.00 O ATOM 935 CB GLU A 64 3.524 7.063 -1.501 1.00 0.00 C ATOM 936 CG GLU A 64 2.385 7.746 -0.762 1.00 0.00 C ATOM 937 CD GLU A 64 2.714 9.174 -0.374 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.212 9.924 -1.240 1.00 0.00 O ATOM 939 OE2 GLU A 64 2.475 9.542 0.795 1.00 0.00 O ATOM 0 H GLU A 64 5.136 5.141 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 64 3.214 5.252 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.472 7.422 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.490 7.353 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.494 7.740 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.146 7.176 0.136 1.00 0.00 H new ATOM 946 N LEU A 65 1.289 4.607 -1.823 1.00 0.00 N ATOM 947 CA LEU A 65 0.206 4.057 -2.630 1.00 0.00 C ATOM 948 C LEU A 65 -1.133 4.675 -2.239 1.00 0.00 C ATOM 949 O LEU A 65 -1.598 4.512 -1.111 1.00 0.00 O ATOM 950 CB LEU A 65 0.145 2.537 -2.471 1.00 0.00 C ATOM 951 CG LEU A 65 -1.162 1.869 -2.899 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.220 1.731 -4.413 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.310 0.510 -2.231 1.00 0.00 C ATOM 0 H LEU A 65 1.079 4.677 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 65 0.406 4.299 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.959 2.099 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.328 2.294 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.992 2.500 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.157 1.254 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.161 2.718 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.383 1.122 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.246 0.049 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.475 -0.129 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.315 0.635 -1.148 1.00 0.00 H new ATOM 965 N VAL A 66 -1.750 5.383 -3.180 1.00 0.00 N ATOM 966 CA VAL A 66 -3.037 6.023 -2.935 1.00 0.00 C ATOM 967 C VAL A 66 -4.150 5.333 -3.716 1.00 0.00 C ATOM 968 O VAL A 66 -4.157 5.339 -4.947 1.00 0.00 O ATOM 969 CB VAL A 66 -3.005 7.514 -3.318 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.360 8.159 -3.071 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.912 8.238 -2.547 1.00 0.00 C ATOM 0 H VAL A 66 -1.379 5.528 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.236 5.935 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.781 7.593 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.317 9.212 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.117 7.656 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.618 8.071 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.903 9.291 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.103 8.151 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.945 7.792 -2.780 1.00 0.00 H new ATOM 981 N VAL A 67 -5.093 4.738 -2.991 1.00 0.00 N ATOM 982 CA VAL A 67 -6.213 4.044 -3.614 1.00 0.00 C ATOM 983 C VAL A 67 -7.531 4.751 -3.317 1.00 0.00 C ATOM 984 O VAL A 67 -8.037 4.697 -2.196 1.00 0.00 O ATOM 985 CB VAL A 67 -6.307 2.584 -3.134 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.465 1.871 -3.815 1.00 0.00 C ATOM 987 CG2 VAL A 67 -4.997 1.854 -3.389 1.00 0.00 C ATOM 0 H VAL A 67 -5.103 4.723 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.032 4.054 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.493 2.585 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.515 0.841 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.398 2.382 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.313 1.879 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.081 0.824 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.778 1.862 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.192 2.353 -2.850 1.00 0.00 H new ATOM 997 N ARG A 68 -8.082 5.413 -4.329 1.00 0.00 N ATOM 998 CA ARG A 68 -9.342 6.132 -4.176 1.00 0.00 C ATOM 999 C ARG A 68 -10.527 5.176 -4.269 1.00 0.00 C ATOM 1000 O ARG A 68 -10.354 3.973 -4.462 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.465 7.220 -5.244 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.561 8.417 -5.001 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.654 9.425 -6.136 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.840 10.611 -5.883 1.00 0.00 N ATOM 1005 CZ ARG A 68 -8.245 11.637 -5.142 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -9.448 11.622 -4.585 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -7.446 12.680 -4.958 1.00 0.00 N ATOM 0 H ARG A 68 -7.676 5.467 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.349 6.598 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.230 6.790 -6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.500 7.560 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.837 8.898 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.530 8.080 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.331 8.955 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.694 9.722 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.909 10.654 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.065 10.822 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.757 12.411 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.520 12.695 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.758 13.467 -4.389 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.732 5.720 -4.130 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.947 4.916 -4.197 1.00 0.00 C ATOM 1023 C ASN A 69 -12.910 3.788 -3.170 1.00 0.00 C ATOM 1024 O ASN A 69 -13.236 2.642 -3.479 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.122 4.336 -5.602 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.562 5.382 -6.608 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -14.700 5.368 -7.078 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -12.659 6.297 -6.943 1.00 0.00 N ATOM 0 H ASN A 69 -11.893 6.714 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.794 5.563 -3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.181 3.894 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.858 3.533 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.897 7.026 -7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.728 6.270 -6.528 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.510 4.121 -1.948 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.431 3.137 -0.874 1.00 0.00 C ATOM 1037 C LEU A 70 -13.800 2.527 -0.592 1.00 0.00 C ATOM 1038 O LEU A 70 -14.831 3.153 -0.836 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.876 3.783 0.397 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.352 3.817 0.523 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.941 4.354 1.885 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.768 2.430 0.296 1.00 0.00 C ATOM 0 H LEU A 70 -12.235 5.065 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.758 2.341 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.248 4.806 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.280 3.250 1.258 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.958 4.486 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.853 4.371 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.329 5.365 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.346 3.711 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.683 2.472 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.169 1.740 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.033 2.083 -0.703 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.802 1.303 -0.074 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.044 0.609 0.242 1.00 0.00 C ATOM 1056 C ARG A 71 -14.854 -0.333 1.427 1.00 0.00 C ATOM 1057 O ARG A 71 -13.756 -0.822 1.693 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.538 -0.177 -0.974 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.437 0.630 -1.896 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.310 -0.273 -2.754 1.00 0.00 C ATOM 1061 NE ARG A 71 -17.907 0.446 -3.876 1.00 0.00 N ATOM 1062 CZ ARG A 71 -19.010 1.179 -3.775 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.634 1.288 -2.610 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -19.492 1.804 -4.842 1.00 0.00 N ATOM 0 H ARG A 71 -12.957 0.772 0.136 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.790 1.357 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.677 -0.533 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.081 -1.058 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.068 1.291 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.826 1.264 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.712 -1.102 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.100 -0.704 -2.139 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.452 0.382 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.267 0.808 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.481 1.852 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.015 1.721 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.339 2.367 -4.764 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.948 -0.594 2.157 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.928 -1.479 3.326 1.00 0.00 C ATOM 1080 C PRO A 72 -15.715 -2.940 2.943 1.00 0.00 C ATOM 1081 O PRO A 72 -15.551 -3.799 3.808 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.315 -1.284 3.943 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.177 -0.851 2.808 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.290 -0.046 1.898 1.00 0.00 C ATOM 0 HA PRO A 72 -15.108 -1.241 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.683 -2.208 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.295 -0.534 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.595 -1.711 2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.018 -0.254 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.576 -0.161 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.340 1.019 2.127 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.719 -3.212 1.642 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.527 -4.570 1.146 1.00 0.00 C ATOM 1094 C GLN A 73 -14.214 -4.688 0.379 1.00 0.00 C ATOM 1095 O GLN A 73 -13.595 -5.752 0.348 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.696 -4.978 0.248 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.840 -4.111 -0.993 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.006 -4.532 -1.866 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.945 -3.764 -2.079 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -17.952 -5.756 -2.378 1.00 0.00 N ATOM 0 H GLN A 73 -15.853 -2.511 0.913 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.487 -5.241 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.564 -6.016 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.620 -4.930 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -16.973 -3.072 -0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.919 -4.160 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.155 -6.359 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.708 -6.093 -2.974 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.796 -3.590 -0.240 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.556 -3.570 -1.008 1.00 0.00 C ATOM 1111 C ASP A 74 -11.377 -4.014 -0.147 1.00 0.00 C ATOM 1112 O ASP A 74 -10.506 -4.753 -0.604 1.00 0.00 O ATOM 1113 CB ASP A 74 -12.298 -2.169 -1.565 1.00 0.00 C ATOM 1114 CG ASP A 74 -11.158 -2.144 -2.564 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -10.943 -3.169 -3.244 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -10.481 -1.100 -2.665 1.00 0.00 O ATOM 0 H ASP A 74 -14.297 -2.702 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.660 -4.268 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -13.205 -1.799 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.072 -1.490 -0.743 1.00 0.00 H new ATOM 1121 N SER A 75 -11.356 -3.556 1.100 1.00 0.00 N ATOM 1122 CA SER A 75 -10.282 -3.901 2.024 1.00 0.00 C ATOM 1123 C SER A 75 -9.879 -5.364 1.865 1.00 0.00 C ATOM 1124 O SER A 75 -10.695 -6.209 1.499 1.00 0.00 O ATOM 1125 CB SER A 75 -10.714 -3.633 3.466 1.00 0.00 C ATOM 1126 OG SER A 75 -11.985 -4.203 3.732 1.00 0.00 O ATOM 0 H SER A 75 -12.071 -2.945 1.494 1.00 0.00 H new ATOM 0 HA SER A 75 -9.420 -3.276 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.976 -4.046 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.749 -2.558 3.645 1.00 0.00 H new ATOM 0 HG SER A 75 -12.238 -4.019 4.661 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.612 -5.656 2.144 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.121 -7.017 2.026 1.00 0.00 C ATOM 1134 C GLY A 76 -6.760 -7.200 2.669 1.00 0.00 C ATOM 1135 O GLY A 76 -6.575 -6.890 3.846 1.00 0.00 O ATOM 0 H GLY A 76 -7.917 -4.975 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.834 -7.699 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.061 -7.288 0.972 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.806 -7.706 1.895 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.456 -7.933 2.397 1.00 0.00 C ATOM 1141 C ARG A 77 -3.419 -7.303 1.472 1.00 0.00 C ATOM 1142 O ARG A 77 -3.065 -7.872 0.439 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.186 -9.432 2.537 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.883 -9.752 3.251 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.439 -11.182 2.986 1.00 0.00 C ATOM 1146 NE ARG A 77 -1.697 -11.302 1.734 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.365 -12.464 1.184 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.707 -13.602 1.773 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -0.689 -12.491 0.042 1.00 0.00 N ATOM 0 H ARG A 77 -5.943 -7.967 0.918 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.376 -7.463 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.011 -9.892 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.167 -9.883 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.107 -9.062 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.008 -9.601 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.816 -11.527 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.313 -11.833 2.953 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.418 -10.445 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.226 -13.586 2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.451 -14.493 1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.424 -11.618 -0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.435 -13.385 -0.379 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.936 -6.124 1.849 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.942 -5.414 1.052 1.00 0.00 C ATOM 1165 C TYR A 78 -0.528 -5.805 1.471 1.00 0.00 C ATOM 1166 O TYR A 78 -0.057 -5.420 2.541 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.129 -3.903 1.194 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.368 -3.378 0.503 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -3.451 -3.342 -0.883 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.454 -2.918 1.237 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.580 -2.863 -1.519 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.588 -2.439 0.610 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.646 -2.413 -0.768 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.773 -1.935 -1.396 1.00 0.00 O ATOM 0 H TYR A 78 -3.217 -5.640 2.702 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.082 -5.694 0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.179 -3.650 2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.254 -3.397 0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.618 -3.695 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.411 -2.935 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.628 -2.841 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.424 -2.087 1.195 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.430 -1.659 -0.723 1.00 0.00 H new ATOM 1184 N SER A 79 0.143 -6.573 0.619 1.00 0.00 N ATOM 1185 CA SER A 79 1.503 -7.019 0.901 1.00 0.00 C ATOM 1186 C SER A 79 2.436 -6.684 -0.259 1.00 0.00 C ATOM 1187 O SER A 79 2.188 -7.072 -1.402 1.00 0.00 O ATOM 1188 CB SER A 79 1.522 -8.526 1.167 1.00 0.00 C ATOM 1189 OG SER A 79 0.642 -9.210 0.292 1.00 0.00 O ATOM 0 H SER A 79 -0.232 -6.899 -0.272 1.00 0.00 H new ATOM 0 HA SER A 79 1.855 -6.495 1.790 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.535 -8.908 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.235 -8.720 2.201 1.00 0.00 H new ATOM 0 HG SER A 79 0.674 -10.171 0.481 1.00 0.00 H new ATOM 1195 N CYS A 80 3.509 -5.962 0.043 1.00 0.00 N ATOM 1196 CA CYS A 80 4.480 -5.573 -0.973 1.00 0.00 C ATOM 1197 C CYS A 80 5.594 -6.608 -1.086 1.00 0.00 C ATOM 1198 O CYS A 80 6.102 -7.100 -0.078 1.00 0.00 O ATOM 1199 CB CYS A 80 5.072 -4.202 -0.644 1.00 0.00 C ATOM 1200 SG CYS A 80 6.412 -3.693 -1.746 1.00 0.00 S ATOM 0 H CYS A 80 3.729 -5.634 0.984 1.00 0.00 H new ATOM 0 HA CYS A 80 3.963 -5.517 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.278 -3.456 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.444 -4.215 0.381 1.00 0.00 H new ATOM 0 HG CYS A 80 6.074 -3.930 -2.979 1.00 0.00 H new ATOM 1206 N SER A 81 5.967 -6.937 -2.318 1.00 0.00 N ATOM 1207 CA SER A 81 7.017 -7.919 -2.563 1.00 0.00 C ATOM 1208 C SER A 81 8.298 -7.238 -3.034 1.00 0.00 C ATOM 1209 O SER A 81 8.272 -6.386 -3.922 1.00 0.00 O ATOM 1210 CB SER A 81 6.557 -8.940 -3.605 1.00 0.00 C ATOM 1211 OG SER A 81 5.681 -9.895 -3.031 1.00 0.00 O ATOM 0 H SER A 81 5.558 -6.538 -3.163 1.00 0.00 H new ATOM 0 HA SER A 81 7.223 -8.435 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.054 -8.427 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.424 -9.446 -4.030 1.00 0.00 H new ATOM 0 HG SER A 81 5.400 -10.535 -3.718 1.00 0.00 H new ATOM 1217 N PHE A 82 9.419 -7.619 -2.431 1.00 0.00 N ATOM 1218 CA PHE A 82 10.712 -7.046 -2.786 1.00 0.00 C ATOM 1219 C PHE A 82 11.854 -7.912 -2.262 1.00 0.00 C ATOM 1220 O PHE A 82 11.827 -8.370 -1.121 1.00 0.00 O ATOM 1221 CB PHE A 82 10.835 -5.627 -2.227 1.00 0.00 C ATOM 1222 CG PHE A 82 12.157 -4.978 -2.525 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.648 -4.940 -3.820 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.907 -4.406 -1.510 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.863 -4.343 -4.098 1.00 0.00 C ATOM 1226 CE2 PHE A 82 14.123 -3.807 -1.782 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.602 -3.777 -3.077 1.00 0.00 C ATOM 0 H PHE A 82 9.458 -8.323 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 82 10.778 -7.008 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.036 -5.012 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.689 -5.656 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.075 -5.382 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.538 -4.428 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.234 -4.319 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.698 -3.363 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.553 -3.312 -3.291 1.00 0.00 H new ATOM 1237 N GLY A 83 12.857 -8.132 -3.107 1.00 0.00 N ATOM 1238 CA GLY A 83 13.994 -8.943 -2.712 1.00 0.00 C ATOM 1239 C GLY A 83 13.586 -10.328 -2.251 1.00 0.00 C ATOM 1240 O GLY A 83 13.044 -11.114 -3.028 1.00 0.00 O ATOM 0 H GLY A 83 12.902 -7.763 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.683 -9.031 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.533 -8.440 -1.909 1.00 0.00 H new ATOM 1244 N ASP A 84 13.848 -10.629 -0.983 1.00 0.00 N ATOM 1245 CA ASP A 84 13.505 -11.929 -0.419 1.00 0.00 C ATOM 1246 C ASP A 84 12.450 -11.786 0.673 1.00 0.00 C ATOM 1247 O ASP A 84 11.712 -12.728 0.962 1.00 0.00 O ATOM 1248 CB ASP A 84 14.753 -12.609 0.146 1.00 0.00 C ATOM 1249 CG ASP A 84 15.515 -13.389 -0.907 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.149 -14.555 -1.161 1.00 0.00 O ATOM 1251 OD2 ASP A 84 16.479 -12.834 -1.476 1.00 0.00 O ATOM 0 H ASP A 84 14.297 -9.990 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 84 13.094 -12.547 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.409 -11.855 0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.463 -13.282 0.953 1.00 0.00 H new ATOM 1256 N GLN A 85 12.385 -10.603 1.275 1.00 0.00 N ATOM 1257 CA GLN A 85 11.421 -10.338 2.336 1.00 0.00 C ATOM 1258 C GLN A 85 10.119 -9.787 1.764 1.00 0.00 C ATOM 1259 O GLN A 85 10.103 -9.200 0.681 1.00 0.00 O ATOM 1260 CB GLN A 85 12.004 -9.353 3.350 1.00 0.00 C ATOM 1261 CG GLN A 85 13.195 -9.904 4.118 1.00 0.00 C ATOM 1262 CD GLN A 85 14.415 -10.100 3.240 1.00 0.00 C ATOM 1263 OE1 GLN A 85 14.758 -9.238 2.431 1.00 0.00 O ATOM 1264 NE2 GLN A 85 15.079 -11.240 3.395 1.00 0.00 N ATOM 0 H GLN A 85 12.988 -9.813 1.046 1.00 0.00 H new ATOM 0 HA GLN A 85 11.205 -11.280 2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.307 -8.445 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.225 -9.070 4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.444 -9.224 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.921 -10.857 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.760 -11.927 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.908 -11.428 2.831 1.00 0.00 H new ATOM 1273 N THR A 86 9.027 -9.979 2.498 1.00 0.00 N ATOM 1274 CA THR A 86 7.721 -9.502 2.063 1.00 0.00 C ATOM 1275 C THR A 86 6.886 -9.028 3.248 1.00 0.00 C ATOM 1276 O THR A 86 6.694 -9.761 4.218 1.00 0.00 O ATOM 1277 CB THR A 86 6.945 -10.598 1.309 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.654 -10.971 0.122 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.549 -10.119 0.942 1.00 0.00 C ATOM 0 H THR A 86 9.022 -10.462 3.397 1.00 0.00 H new ATOM 0 HA THR A 86 7.899 -8.664 1.389 1.00 0.00 H new ATOM 0 HB THR A 86 6.853 -11.464 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.155 -11.669 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.021 -10.911 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.002 -9.864 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.623 -9.239 0.303 1.00 0.00 H new ATOM 1287 N THR A 87 6.390 -7.798 3.162 1.00 0.00 N ATOM 1288 CA THR A 87 5.576 -7.226 4.227 1.00 0.00 C ATOM 1289 C THR A 87 4.092 -7.314 3.892 1.00 0.00 C ATOM 1290 O THR A 87 3.709 -7.327 2.722 1.00 0.00 O ATOM 1291 CB THR A 87 5.946 -5.753 4.488 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.289 -5.286 5.671 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.555 -4.880 3.305 1.00 0.00 C ATOM 0 H THR A 87 6.538 -7.178 2.365 1.00 0.00 H new ATOM 0 HA THR A 87 5.778 -7.808 5.126 1.00 0.00 H new ATOM 0 HB THR A 87 7.026 -5.690 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.628 -4.604 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.826 -3.845 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.079 -5.221 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.479 -4.948 3.142 1.00 0.00 H new ATOM 1301 N SER A 88 3.259 -7.373 4.926 1.00 0.00 N ATOM 1302 CA SER A 88 1.815 -7.463 4.741 1.00 0.00 C ATOM 1303 C SER A 88 1.082 -6.589 5.754 1.00 0.00 C ATOM 1304 O SER A 88 1.423 -6.571 6.936 1.00 0.00 O ATOM 1305 CB SER A 88 1.352 -8.915 4.873 1.00 0.00 C ATOM 1306 OG SER A 88 1.481 -9.372 6.208 1.00 0.00 O ATOM 0 H SER A 88 3.559 -7.360 5.901 1.00 0.00 H new ATOM 0 HA SER A 88 1.579 -7.104 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.313 -8.999 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.940 -9.549 4.210 1.00 0.00 H new ATOM 0 HG SER A 88 1.177 -10.302 6.266 1.00 0.00 H new ATOM 1312 N ALA A 89 0.073 -5.866 5.281 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.711 -4.991 6.145 1.00 0.00 C ATOM 1314 C ALA A 89 -2.195 -5.073 5.808 1.00 0.00 C ATOM 1315 O ALA A 89 -2.578 -5.608 4.767 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.219 -3.556 6.028 1.00 0.00 C ATOM 0 H ALA A 89 -0.221 -5.868 4.304 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.581 -5.325 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.813 -2.914 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.828 -3.505 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.319 -3.220 4.996 1.00 0.00 H new ATOM 1322 N THR A 90 -3.030 -4.539 6.695 1.00 0.00 N ATOM 1323 CA THR A 90 -4.473 -4.553 6.492 1.00 0.00 C ATOM 1324 C THR A 90 -5.064 -3.157 6.647 1.00 0.00 C ATOM 1325 O THR A 90 -4.720 -2.426 7.578 1.00 0.00 O ATOM 1326 CB THR A 90 -5.170 -5.506 7.481 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.612 -6.821 7.371 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.667 -5.561 7.216 1.00 0.00 C ATOM 0 H THR A 90 -2.731 -4.091 7.561 1.00 0.00 H new ATOM 0 HA THR A 90 -4.645 -4.906 5.475 1.00 0.00 H new ATOM 0 HB THR A 90 -5.009 -5.127 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.059 -7.420 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.138 -6.240 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.093 -4.564 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.844 -5.918 6.201 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.954 -2.791 5.732 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.595 -1.481 5.768 1.00 0.00 C ATOM 1338 C LEU A 91 -7.990 -1.573 6.377 1.00 0.00 C ATOM 1339 O LEU A 91 -8.827 -2.354 5.923 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.679 -0.894 4.358 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.377 0.461 4.236 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.438 1.584 4.647 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.878 0.677 2.815 1.00 0.00 C ATOM 0 H LEU A 91 -6.249 -3.383 4.955 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.989 -0.825 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.667 -0.795 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.200 -1.607 3.719 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.235 0.468 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.952 2.541 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.128 1.438 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.560 1.579 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.372 1.646 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.035 0.650 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.586 -0.110 2.555 1.00 0.00 H new ATOM 1355 N THR A 92 -8.236 -0.769 7.406 1.00 0.00 N ATOM 1356 CA THR A 92 -9.530 -0.759 8.077 1.00 0.00 C ATOM 1357 C THR A 92 -10.428 0.340 7.522 1.00 0.00 C ATOM 1358 O THR A 92 -10.220 1.523 7.795 1.00 0.00 O ATOM 1359 CB THR A 92 -9.374 -0.561 9.597 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.700 -1.687 10.171 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.730 -0.382 10.261 1.00 0.00 C ATOM 0 H THR A 92 -7.555 -0.115 7.793 1.00 0.00 H new ATOM 0 HA THR A 92 -9.990 -1.729 7.890 1.00 0.00 H new ATOM 0 HB THR A 92 -8.783 0.340 9.765 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.603 -1.553 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.594 -0.244 11.334 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.227 0.493 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.342 -1.267 10.083 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.428 -0.056 6.742 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.360 0.896 6.150 1.00 0.00 C ATOM 1371 C VAL A 93 -13.630 1.013 6.984 1.00 0.00 C ATOM 1372 O VAL A 93 -14.362 0.039 7.163 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.738 0.492 4.713 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.692 1.509 4.105 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.490 0.341 3.856 1.00 0.00 C ATOM 0 H VAL A 93 -11.614 -1.031 6.505 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.854 1.861 6.127 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.246 -0.472 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.948 1.206 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.599 1.562 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.214 2.488 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.776 0.055 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.952 1.288 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.847 -0.429 4.282 1.00 0.00 H new ATOM 1385 N THR A 94 -13.888 2.214 7.494 1.00 0.00 N ATOM 1386 CA THR A 94 -15.070 2.459 8.311 1.00 0.00 C ATOM 1387 C THR A 94 -16.283 2.772 7.442 1.00 0.00 C ATOM 1388 O THR A 94 -16.251 3.689 6.622 1.00 0.00 O ATOM 1389 CB THR A 94 -14.843 3.624 9.293 1.00 0.00 C ATOM 1390 OG1 THR A 94 -13.543 3.518 9.885 1.00 0.00 O ATOM 1391 CG2 THR A 94 -15.903 3.626 10.384 1.00 0.00 C ATOM 0 H THR A 94 -13.294 3.032 7.355 1.00 0.00 H new ATOM 0 HA THR A 94 -15.257 1.547 8.878 1.00 0.00 H new ATOM 0 HB THR A 94 -14.914 4.559 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.405 4.263 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.722 4.457 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 94 -16.889 3.735 9.933 1.00 0.00 H new ATOM 0 HG23 THR A 94 -15.858 2.688 10.937 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.353 2.005 7.628 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.577 2.203 6.863 1.00 0.00 C ATOM 1401 C ALA A 95 -19.345 3.423 7.361 1.00 0.00 C ATOM 1402 O ALA A 95 -19.784 3.466 8.512 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.452 0.960 6.937 1.00 0.00 C ATOM 0 H ALA A 95 -17.396 1.241 8.302 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.302 2.379 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.363 1.122 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -18.910 0.108 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -19.711 0.759 7.977 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.503 4.413 6.490 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.218 5.635 6.842 1.00 0.00 C ATOM 1411 C LEU A 96 -21.385 5.333 7.776 1.00 0.00 C ATOM 1412 O LEU A 96 -22.036 4.293 7.680 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.727 6.333 5.580 1.00 0.00 C ATOM 1414 CG LEU A 96 -19.775 7.346 4.942 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -20.191 7.640 3.509 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.734 8.627 5.761 1.00 0.00 C ATOM 0 H LEU A 96 -19.146 4.394 5.535 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.524 6.296 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.964 5.571 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.659 6.843 5.822 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.774 6.916 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.502 8.363 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.168 6.719 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.201 8.050 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.052 9.337 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.733 9.061 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.388 8.403 6.770 1.00 0.00 H new ATOM 1428 N PRO A 97 -21.659 6.265 8.702 1.00 0.00 N ATOM 1429 CA PRO A 97 -22.750 6.123 9.670 1.00 0.00 C ATOM 1430 C PRO A 97 -24.123 6.229 9.015 1.00 0.00 C ATOM 1431 O PRO A 97 -24.231 6.463 7.811 1.00 0.00 O ATOM 1432 CB PRO A 97 -22.525 7.291 10.633 1.00 0.00 C ATOM 1433 CG PRO A 97 -21.786 8.306 9.831 1.00 0.00 C ATOM 1434 CD PRO A 97 -20.924 7.529 8.874 1.00 0.00 C ATOM 0 HA PRO A 97 -22.741 5.146 10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.471 7.689 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -21.950 6.980 11.505 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.476 8.957 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.179 8.944 10.473 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.801 8.054 7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -19.926 7.361 9.278 1.00 0.00 H new