USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 17 GLN : amide:sc= 0.867 K(o=2,f=-1.6!) USER MOD Set 1.2: A 72 THR OG1 : rot 148:sc= 1.18 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.145 K(o=0.14,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0636 F(o=-1.4!,f=-0.064) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 30 SER OG : rot -9:sc= 0.396 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -50:sc= 1.09 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc=-0.00152 (180deg=-0.102) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 54 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 58 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-0.96) USER MOD Single : A 59 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00221 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00731 USER MOD Single : A 77 CYS SG : rot 119:sc= -2.42! USER MOD Single : A 79 CYS SG : rot -71:sc= 0.0158 USER MOD Single : A 85 THR OG1 : rot 105:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.247 12.125 3.969 1.00 0.00 N ATOM 77 CA GLU A 8 5.976 12.520 3.354 1.00 0.00 C ATOM 78 C GLU A 8 4.969 11.359 3.155 1.00 0.00 C ATOM 79 O GLU A 8 3.935 11.567 2.529 1.00 0.00 O ATOM 80 CB GLU A 8 6.206 13.354 2.069 1.00 0.00 C ATOM 81 CG GLU A 8 6.601 14.822 2.317 1.00 0.00 C ATOM 82 CD GLU A 8 8.106 15.087 2.252 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.673 15.134 1.133 1.00 0.00 O ATOM 84 OE2 GLU A 8 8.729 15.344 3.306 1.00 0.00 O ATOM 0 HA GLU A 8 5.483 13.167 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.987 12.877 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.295 13.333 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.101 15.450 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.232 15.125 3.297 1.00 0.00 H new ATOM 91 N TYR A 9 5.202 10.167 3.712 1.00 0.00 N ATOM 92 CA TYR A 9 4.330 8.995 3.551 1.00 0.00 C ATOM 93 C TYR A 9 3.289 8.904 4.665 1.00 0.00 C ATOM 94 O TYR A 9 2.096 8.803 4.381 1.00 0.00 O ATOM 95 CB TYR A 9 5.180 7.711 3.475 1.00 0.00 C ATOM 96 CG TYR A 9 6.214 7.662 2.363 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.101 8.485 1.228 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.303 6.777 2.469 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.057 8.413 0.208 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.244 6.668 1.428 1.00 0.00 C ATOM 101 CZ TYR A 9 8.104 7.481 0.284 1.00 0.00 C ATOM 102 OH TYR A 9 8.919 7.363 -0.789 1.00 0.00 O ATOM 0 H TYR A 9 6.016 9.984 4.299 1.00 0.00 H new ATOM 0 HA TYR A 9 3.781 9.107 2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.694 7.582 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.508 6.861 3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.274 9.175 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.418 6.175 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.989 9.077 -0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.064 5.970 1.504 1.00 0.00 H new ATOM 0 HH TYR A 9 9.603 6.685 -0.607 1.00 0.00 H new ATOM 112 N GLY A 10 3.718 8.974 5.929 1.00 0.00 N ATOM 113 CA GLY A 10 2.841 8.748 7.079 1.00 0.00 C ATOM 114 C GLY A 10 1.789 9.842 7.256 1.00 0.00 C ATOM 115 O GLY A 10 0.771 9.667 7.920 1.00 0.00 O ATOM 0 H GLY A 10 4.682 9.189 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.341 7.787 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.447 8.685 7.983 1.00 0.00 H new ATOM 119 N ARG A 11 2.010 10.989 6.613 1.00 0.00 N ATOM 120 CA ARG A 11 1.018 12.047 6.514 1.00 0.00 C ATOM 121 C ARG A 11 -0.189 11.684 5.657 1.00 0.00 C ATOM 122 O ARG A 11 -1.156 12.438 5.667 1.00 0.00 O ATOM 123 CB ARG A 11 1.649 13.325 5.970 1.00 0.00 C ATOM 124 CG ARG A 11 2.461 13.086 4.701 1.00 0.00 C ATOM 125 CD ARG A 11 2.646 14.347 3.873 1.00 0.00 C ATOM 126 NE ARG A 11 3.375 15.409 4.583 1.00 0.00 N ATOM 127 CZ ARG A 11 3.711 16.577 4.026 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.423 16.808 2.749 1.00 0.00 N ATOM 129 NH2 ARG A 11 4.325 17.515 4.725 1.00 0.00 N ATOM 0 H ARG A 11 2.890 11.206 6.145 1.00 0.00 H new ATOM 0 HA ARG A 11 0.655 12.200 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.865 14.053 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.294 13.760 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.439 12.687 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.964 12.329 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.183 14.097 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.668 14.724 3.575 1.00 0.00 H new ATOM 0 HE ARG A 11 3.639 15.245 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.947 16.095 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.678 17.698 2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.550 17.354 5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.574 18.400 4.283 1.00 0.00 H new ATOM 143 N TYR A 12 -0.117 10.633 4.845 1.00 0.00 N ATOM 144 CA TYR A 12 -1.226 10.152 4.050 1.00 0.00 C ATOM 145 C TYR A 12 -1.654 8.808 4.595 1.00 0.00 C ATOM 146 O TYR A 12 -2.816 8.613 4.940 1.00 0.00 O ATOM 147 CB TYR A 12 -0.810 9.998 2.584 1.00 0.00 C ATOM 148 CG TYR A 12 -0.014 11.116 1.967 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.237 12.450 2.320 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.898 10.806 0.956 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.398 13.474 1.607 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.509 11.814 0.200 1.00 0.00 C ATOM 153 CZ TYR A 12 1.262 13.170 0.523 1.00 0.00 C ATOM 154 OH TYR A 12 1.805 14.164 -0.234 1.00 0.00 O ATOM 0 H TYR A 12 0.735 10.085 4.724 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.047 10.867 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.228 9.081 2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.714 9.861 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.897 12.690 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.136 9.772 0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.229 14.504 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.162 11.559 -0.621 1.00 0.00 H new ATOM 0 HH TYR A 12 2.372 13.772 -0.931 1.00 0.00 H new ATOM 164 N PHE A 13 -0.723 7.865 4.654 1.00 0.00 N ATOM 165 CA PHE A 13 -1.019 6.528 5.099 1.00 0.00 C ATOM 166 C PHE A 13 -0.933 6.569 6.617 1.00 0.00 C ATOM 167 O PHE A 13 0.100 6.948 7.149 1.00 0.00 O ATOM 168 CB PHE A 13 -0.016 5.560 4.478 1.00 0.00 C ATOM 169 CG PHE A 13 0.061 5.581 2.958 1.00 0.00 C ATOM 170 CD1 PHE A 13 -1.020 5.115 2.185 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.224 6.041 2.307 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.925 5.074 0.783 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.307 6.031 0.902 1.00 0.00 C ATOM 174 CZ PHE A 13 0.238 5.527 0.140 1.00 0.00 C ATOM 0 H PHE A 13 0.252 8.014 4.394 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.007 6.183 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.973 5.784 4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.268 4.549 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.927 4.787 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.057 6.404 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.749 4.693 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.191 6.410 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.311 5.488 -0.937 1.00 0.00 H new ATOM 184 N GLU A 14 -2.015 6.270 7.321 1.00 0.00 N ATOM 185 CA GLU A 14 -2.032 6.281 8.784 1.00 0.00 C ATOM 186 C GLU A 14 -1.773 4.864 9.288 1.00 0.00 C ATOM 187 O GLU A 14 -2.102 3.898 8.599 1.00 0.00 O ATOM 188 CB GLU A 14 -3.396 6.784 9.272 1.00 0.00 C ATOM 189 CG GLU A 14 -3.474 7.180 10.752 1.00 0.00 C ATOM 190 CD GLU A 14 -4.927 7.219 11.206 1.00 0.00 C ATOM 191 OE1 GLU A 14 -5.454 6.136 11.557 1.00 0.00 O ATOM 192 OE2 GLU A 14 -5.540 8.303 11.205 1.00 0.00 O ATOM 0 H GLU A 14 -2.907 6.013 6.899 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.258 6.946 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.680 7.647 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.137 6.007 9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.914 6.467 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.012 8.156 10.900 1.00 0.00 H new ATOM 199 N GLN A 15 -1.289 4.752 10.526 1.00 0.00 N ATOM 200 CA GLN A 15 -0.974 3.494 11.223 1.00 0.00 C ATOM 201 C GLN A 15 -2.140 2.499 11.248 1.00 0.00 C ATOM 202 O GLN A 15 -1.909 1.317 11.469 1.00 0.00 O ATOM 203 CB GLN A 15 -0.560 3.796 12.674 1.00 0.00 C ATOM 204 CG GLN A 15 0.135 2.600 13.362 1.00 0.00 C ATOM 205 CD GLN A 15 1.520 2.924 13.911 1.00 0.00 C ATOM 206 OE1 GLN A 15 2.393 3.362 13.173 1.00 0.00 O ATOM 207 NE2 GLN A 15 1.795 2.724 15.196 1.00 0.00 N ATOM 0 H GLN A 15 -1.095 5.572 11.101 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.161 3.031 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.111 4.655 12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.443 4.076 13.248 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.495 2.246 14.178 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.220 1.781 12.647 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.076 2.359 15.821 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.725 2.935 15.557 1.00 0.00 H new ATOM 216 N LEU A 16 -3.376 2.971 11.084 1.00 0.00 N ATOM 217 CA LEU A 16 -4.605 2.184 11.170 1.00 0.00 C ATOM 218 C LEU A 16 -5.529 2.418 9.978 1.00 0.00 C ATOM 219 O LEU A 16 -6.628 1.860 9.938 1.00 0.00 O ATOM 220 CB LEU A 16 -5.373 2.473 12.467 1.00 0.00 C ATOM 221 CG LEU A 16 -4.700 1.784 13.657 1.00 0.00 C ATOM 222 CD1 LEU A 16 -3.516 2.556 14.202 1.00 0.00 C ATOM 223 CD2 LEU A 16 -5.747 1.538 14.741 1.00 0.00 C ATOM 0 H LEU A 16 -3.555 3.954 10.879 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.291 1.140 11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.415 3.549 12.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.401 2.125 12.372 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.292 0.835 13.310 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.084 2.014 15.043 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.765 2.670 13.420 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.845 3.540 14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.279 1.047 15.594 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.173 2.490 15.058 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.538 0.901 14.345 1.00 0.00 H new ATOM 235 N GLN A 17 -5.140 3.249 9.005 1.00 0.00 N ATOM 236 CA GLN A 17 -5.916 3.357 7.776 1.00 0.00 C ATOM 237 C GLN A 17 -5.761 2.039 7.037 1.00 0.00 C ATOM 238 O GLN A 17 -4.782 1.320 7.217 1.00 0.00 O ATOM 239 CB GLN A 17 -5.412 4.479 6.854 1.00 0.00 C ATOM 240 CG GLN A 17 -6.359 5.675 6.688 1.00 0.00 C ATOM 241 CD GLN A 17 -5.780 6.814 5.840 1.00 0.00 C ATOM 242 OE1 GLN A 17 -6.303 7.928 5.836 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.716 6.588 5.088 1.00 0.00 N ATOM 0 H GLN A 17 -4.311 3.842 9.046 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.950 3.585 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.460 4.843 7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.215 4.055 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.287 5.330 6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.614 6.063 7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.278 5.667 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.333 7.335 4.509 1.00 0.00 H new ATOM 252 N LYS A 18 -6.652 1.788 6.087 1.00 0.00 N ATOM 253 CA LYS A 18 -6.519 0.699 5.153 1.00 0.00 C ATOM 254 C LYS A 18 -6.217 1.228 3.753 1.00 0.00 C ATOM 255 O LYS A 18 -6.484 2.402 3.474 1.00 0.00 O ATOM 256 CB LYS A 18 -7.743 -0.186 5.313 1.00 0.00 C ATOM 257 CG LYS A 18 -9.021 0.381 4.744 1.00 0.00 C ATOM 258 CD LYS A 18 -10.110 0.743 5.755 1.00 0.00 C ATOM 259 CE LYS A 18 -11.080 1.739 5.104 1.00 0.00 C ATOM 260 NZ LYS A 18 -12.385 1.765 5.788 1.00 0.00 N ATOM 0 H LYS A 18 -7.494 2.347 5.949 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.659 0.061 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.544 -1.145 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.893 -0.385 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.774 1.275 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.433 -0.343 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.645 -0.153 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.665 1.180 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.641 2.737 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.225 1.473 4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.010 2.450 5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.816 0.819 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.251 2.044 6.781 1.00 0.00 H new ATOM 274 N VAL A 19 -5.659 0.390 2.888 1.00 0.00 N ATOM 275 CA VAL A 19 -5.258 0.758 1.535 1.00 0.00 C ATOM 276 C VAL A 19 -5.849 -0.274 0.559 1.00 0.00 C ATOM 277 O VAL A 19 -6.689 -1.096 0.929 1.00 0.00 O ATOM 278 CB VAL A 19 -3.731 1.001 1.450 1.00 0.00 C ATOM 279 CG1 VAL A 19 -3.294 2.105 2.420 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.854 -0.223 1.693 1.00 0.00 C ATOM 0 H VAL A 19 -5.468 -0.587 3.112 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.669 1.722 1.235 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.576 1.294 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.217 2.255 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.809 3.033 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.544 1.813 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.804 0.059 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.046 -0.616 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.084 -0.988 0.952 1.00 0.00 H new ATOM 290 N ASN A 20 -5.487 -0.181 -0.716 1.00 0.00 N ATOM 291 CA ASN A 20 -5.836 -1.090 -1.786 1.00 0.00 C ATOM 292 C ASN A 20 -4.725 -2.141 -1.887 1.00 0.00 C ATOM 293 O ASN A 20 -3.615 -1.856 -1.436 1.00 0.00 O ATOM 294 CB ASN A 20 -5.932 -0.239 -3.075 1.00 0.00 C ATOM 295 CG ASN A 20 -6.735 -0.892 -4.182 1.00 0.00 C ATOM 296 OD1 ASN A 20 -7.698 -1.726 -3.844 1.00 0.00 O flip ATOM 297 ND2 ASN A 20 -6.522 -0.585 -5.354 1.00 0.00 N flip ATOM 0 H ASN A 20 -4.902 0.587 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.782 -1.605 -1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.383 0.723 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.925 -0.036 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.769 0.064 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.099 -0.979 -6.097 1.00 0.00 H new ATOM 304 N LEU A 21 -4.965 -3.319 -2.478 1.00 0.00 N ATOM 305 CA LEU A 21 -3.945 -4.371 -2.556 1.00 0.00 C ATOM 306 C LEU A 21 -3.777 -4.845 -3.987 1.00 0.00 C ATOM 307 O LEU A 21 -3.842 -6.038 -4.276 1.00 0.00 O ATOM 308 CB LEU A 21 -4.188 -5.569 -1.624 1.00 0.00 C ATOM 309 CG LEU A 21 -4.184 -5.280 -0.126 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.483 -6.578 0.616 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.817 -4.790 0.355 1.00 0.00 C ATOM 0 H LEU A 21 -5.856 -3.566 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.024 -3.906 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.149 -6.013 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.425 -6.320 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.929 -4.508 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.484 -6.391 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.460 -6.954 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.719 -7.318 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.857 -4.596 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.065 -5.553 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.554 -3.872 -0.171 1.00 0.00 H new ATOM 323 N THR A 22 -3.520 -3.909 -4.892 1.00 0.00 N ATOM 324 CA THR A 22 -3.105 -4.246 -6.239 1.00 0.00 C ATOM 325 C THR A 22 -1.808 -5.056 -6.141 1.00 0.00 C ATOM 326 O THR A 22 -0.814 -4.531 -5.634 1.00 0.00 O ATOM 327 CB THR A 22 -2.916 -2.954 -7.052 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.950 -2.020 -6.762 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.894 -3.261 -8.553 1.00 0.00 C ATOM 0 H THR A 22 -3.593 -2.908 -4.712 1.00 0.00 H new ATOM 0 HA THR A 22 -3.858 -4.845 -6.751 1.00 0.00 H new ATOM 0 HB THR A 22 -1.960 -2.514 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.811 -1.205 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.759 -2.335 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.071 -3.941 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.836 -3.726 -8.843 1.00 0.00 H new ATOM 337 N VAL A 23 -1.808 -6.317 -6.577 1.00 0.00 N ATOM 338 CA VAL A 23 -0.583 -7.103 -6.777 1.00 0.00 C ATOM 339 C VAL A 23 -0.473 -7.482 -8.254 1.00 0.00 C ATOM 340 O VAL A 23 -1.462 -7.917 -8.839 1.00 0.00 O ATOM 341 CB VAL A 23 -0.560 -8.355 -5.866 1.00 0.00 C ATOM 342 CG1 VAL A 23 0.805 -9.055 -5.933 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.784 -8.044 -4.383 1.00 0.00 C ATOM 0 H VAL A 23 -2.662 -6.827 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 23 0.281 -6.500 -6.497 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.373 -8.976 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.797 -9.931 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.005 -9.364 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.583 -8.367 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.754 -8.970 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.001 -7.373 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.756 -7.568 -4.254 1.00 0.00 H new ATOM 353 N ARG A 24 0.711 -7.351 -8.865 1.00 0.00 N ATOM 354 CA ARG A 24 1.004 -7.894 -10.190 1.00 0.00 C ATOM 355 C ARG A 24 1.171 -9.402 -10.063 1.00 0.00 C ATOM 356 O ARG A 24 2.104 -9.840 -9.392 1.00 0.00 O ATOM 357 CB ARG A 24 2.308 -7.261 -10.694 1.00 0.00 C ATOM 358 CG ARG A 24 2.804 -7.840 -12.026 1.00 0.00 C ATOM 359 CD ARG A 24 4.123 -7.174 -12.434 1.00 0.00 C ATOM 360 NE ARG A 24 4.708 -7.716 -13.672 1.00 0.00 N ATOM 361 CZ ARG A 24 5.636 -7.088 -14.410 1.00 0.00 C ATOM 362 NH1 ARG A 24 6.200 -5.962 -13.985 1.00 0.00 N ATOM 363 NH2 ARG A 24 6.043 -7.596 -15.571 1.00 0.00 N ATOM 0 H ARG A 24 1.499 -6.859 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 24 0.199 -7.675 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.159 -6.187 -10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.082 -7.397 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.945 -8.917 -11.933 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.054 -7.683 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.954 -6.105 -12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.843 -7.289 -11.623 1.00 0.00 H new ATOM 0 HE ARG A 24 4.386 -8.630 -13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.929 -5.563 -13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.904 -5.496 -14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.649 -8.473 -15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.749 -7.108 -16.122 1.00 0.00 H new ATOM 377 N LEU A 25 0.340 -10.193 -10.739 1.00 0.00 N ATOM 378 CA LEU A 25 0.475 -11.641 -10.801 1.00 0.00 C ATOM 379 C LEU A 25 0.836 -12.026 -12.225 1.00 0.00 C ATOM 380 O LEU A 25 -0.019 -12.345 -13.048 1.00 0.00 O ATOM 381 CB LEU A 25 -0.804 -12.346 -10.344 1.00 0.00 C ATOM 382 CG LEU A 25 -1.271 -12.011 -8.918 1.00 0.00 C ATOM 383 CD1 LEU A 25 -2.375 -13.009 -8.567 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.152 -12.035 -7.874 1.00 0.00 C ATOM 0 H LEU A 25 -0.457 -9.837 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 25 1.264 -11.961 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.605 -12.094 -11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.649 -13.423 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.634 -10.983 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.739 -12.809 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.196 -12.907 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.978 -14.023 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.563 -11.788 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.293 -13.029 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.611 -11.304 -8.142 1.00 0.00 H new ATOM 436 N SER A 30 -3.442 -9.960 -12.134 1.00 0.00 N ATOM 437 CA SER A 30 -3.240 -9.224 -10.902 1.00 0.00 C ATOM 438 C SER A 30 -4.095 -9.868 -9.803 1.00 0.00 C ATOM 439 O SER A 30 -4.836 -10.829 -10.053 1.00 0.00 O ATOM 440 CB SER A 30 -3.502 -7.709 -11.091 1.00 0.00 C ATOM 441 OG SER A 30 -4.322 -7.385 -12.202 1.00 0.00 O ATOM 0 HA SER A 30 -2.196 -9.285 -10.594 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.968 -7.319 -10.186 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.545 -7.199 -11.202 1.00 0.00 H new ATOM 0 HG SER A 30 -4.469 -8.187 -12.745 1.00 0.00 H new ATOM 447 N PHE A 31 -3.975 -9.358 -8.583 1.00 0.00 N ATOM 448 CA PHE A 31 -4.923 -9.554 -7.502 1.00 0.00 C ATOM 449 C PHE A 31 -5.313 -8.157 -7.014 1.00 0.00 C ATOM 450 O PHE A 31 -4.546 -7.208 -7.222 1.00 0.00 O ATOM 451 CB PHE A 31 -4.271 -10.404 -6.398 1.00 0.00 C ATOM 452 CG PHE A 31 -5.225 -10.810 -5.298 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.205 -11.781 -5.575 1.00 0.00 C ATOM 454 CD2 PHE A 31 -5.179 -10.190 -4.034 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.160 -12.120 -4.603 1.00 0.00 C ATOM 456 CE2 PHE A 31 -6.176 -10.495 -3.084 1.00 0.00 C ATOM 457 CZ PHE A 31 -7.159 -11.460 -3.365 1.00 0.00 C ATOM 0 H PHE A 31 -3.183 -8.775 -8.313 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.816 -10.092 -7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.845 -11.302 -6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.445 -9.844 -5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.223 -12.267 -6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.391 -9.491 -3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.893 -12.886 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.184 -9.983 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.913 -11.693 -2.628 1.00 0.00 H new ATOM 467 N ASP A 32 -6.469 -8.004 -6.368 1.00 0.00 N ATOM 468 CA ASP A 32 -6.779 -6.819 -5.581 1.00 0.00 C ATOM 469 C ASP A 32 -7.524 -7.207 -4.312 1.00 0.00 C ATOM 470 O ASP A 32 -8.349 -8.123 -4.305 1.00 0.00 O ATOM 471 CB ASP A 32 -7.550 -5.749 -6.360 1.00 0.00 C ATOM 472 CG ASP A 32 -7.675 -4.475 -5.516 1.00 0.00 C ATOM 473 OD1 ASP A 32 -6.720 -4.145 -4.778 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.723 -3.789 -5.583 1.00 0.00 O ATOM 0 H ASP A 32 -7.214 -8.700 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.824 -6.365 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.036 -5.527 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.541 -6.121 -6.621 1.00 0.00 H new ATOM 479 N GLY A 33 -7.243 -6.492 -3.234 1.00 0.00 N ATOM 480 CA GLY A 33 -7.735 -6.757 -1.892 1.00 0.00 C ATOM 481 C GLY A 33 -7.739 -5.481 -1.059 1.00 0.00 C ATOM 482 O GLY A 33 -7.697 -4.363 -1.588 1.00 0.00 O ATOM 0 H GLY A 33 -6.637 -5.672 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.744 -7.167 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.109 -7.509 -1.412 1.00 0.00 H new ATOM 486 N THR A 34 -7.836 -5.650 0.253 1.00 0.00 N ATOM 487 CA THR A 34 -7.801 -4.593 1.247 1.00 0.00 C ATOM 488 C THR A 34 -7.036 -5.167 2.446 1.00 0.00 C ATOM 489 O THR A 34 -7.028 -6.382 2.656 1.00 0.00 O ATOM 490 CB THR A 34 -9.247 -4.160 1.621 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.253 -4.806 0.849 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.463 -2.658 1.419 1.00 0.00 C ATOM 0 H THR A 34 -7.947 -6.574 0.670 1.00 0.00 H new ATOM 0 HA THR A 34 -7.305 -3.695 0.879 1.00 0.00 H new ATOM 0 HB THR A 34 -9.341 -4.445 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.136 -4.492 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.486 -2.398 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.767 -2.103 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.290 -2.403 0.373 1.00 0.00 H new ATOM 500 N ALA A 35 -6.408 -4.315 3.247 1.00 0.00 N ATOM 501 CA ALA A 35 -5.822 -4.645 4.537 1.00 0.00 C ATOM 502 C ALA A 35 -5.778 -3.364 5.342 1.00 0.00 C ATOM 503 O ALA A 35 -5.572 -2.309 4.743 1.00 0.00 O ATOM 504 CB ALA A 35 -4.383 -5.143 4.382 1.00 0.00 C ATOM 0 H ALA A 35 -6.289 -3.332 3.003 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.414 -5.426 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.973 -5.381 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.372 -6.036 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.778 -4.366 3.915 1.00 0.00 H new ATOM 510 N ALA A 36 -5.921 -3.408 6.665 1.00 0.00 N ATOM 511 CA ALA A 36 -5.617 -2.234 7.477 1.00 0.00 C ATOM 512 C ALA A 36 -4.102 -2.256 7.768 1.00 0.00 C ATOM 513 O ALA A 36 -3.505 -3.333 7.842 1.00 0.00 O ATOM 514 CB ALA A 36 -6.480 -2.261 8.741 1.00 0.00 C ATOM 0 H ALA A 36 -6.238 -4.225 7.187 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.851 -1.300 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.258 -1.386 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.534 -2.251 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.264 -3.165 9.310 1.00 0.00 H new ATOM 520 N ILE A 37 -3.462 -1.083 7.842 1.00 0.00 N ATOM 521 CA ILE A 37 -2.144 -0.877 8.445 1.00 0.00 C ATOM 522 C ILE A 37 -2.250 -1.246 9.938 1.00 0.00 C ATOM 523 O ILE A 37 -3.334 -1.288 10.517 1.00 0.00 O ATOM 524 CB ILE A 37 -1.647 0.580 8.167 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.548 0.838 6.639 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.263 0.877 8.772 1.00 0.00 C ATOM 527 CD1 ILE A 37 -0.785 2.064 6.111 1.00 0.00 C ATOM 0 H ILE A 37 -3.863 -0.222 7.470 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.384 -1.521 8.003 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.382 1.232 8.638 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.092 -0.045 6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.566 0.900 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.022 1.904 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.303 0.745 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.473 0.193 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.825 2.076 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.243 2.973 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.254 2.013 6.436 1.00 0.00 H new ATOM 539 N THR A 38 -1.099 -1.528 10.545 1.00 0.00 N ATOM 540 CA THR A 38 -0.929 -1.885 11.947 1.00 0.00 C ATOM 541 C THR A 38 0.261 -1.156 12.573 1.00 0.00 C ATOM 542 O THR A 38 0.224 -0.760 13.740 1.00 0.00 O ATOM 543 CB THR A 38 -0.750 -3.419 12.057 1.00 0.00 C ATOM 544 OG1 THR A 38 0.420 -3.852 11.380 1.00 0.00 O ATOM 545 CG2 THR A 38 -1.910 -4.207 11.454 1.00 0.00 C ATOM 0 H THR A 38 -0.212 -1.512 10.041 1.00 0.00 H new ATOM 0 HA THR A 38 -1.817 -1.577 12.498 1.00 0.00 H new ATOM 0 HB THR A 38 -0.692 -3.612 13.128 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.433 -3.476 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.721 -5.275 11.565 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.834 -3.947 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.005 -3.963 10.396 1.00 0.00 H new ATOM 553 N SER A 39 1.329 -0.974 11.803 1.00 0.00 N ATOM 554 CA SER A 39 2.555 -0.289 12.166 1.00 0.00 C ATOM 555 C SER A 39 3.032 0.415 10.908 1.00 0.00 C ATOM 556 O SER A 39 2.909 -0.141 9.812 1.00 0.00 O ATOM 557 CB SER A 39 3.601 -1.306 12.641 1.00 0.00 C ATOM 558 OG SER A 39 3.105 -2.127 13.682 1.00 0.00 O ATOM 0 H SER A 39 1.358 -1.326 10.846 1.00 0.00 H new ATOM 0 HA SER A 39 2.396 0.420 12.978 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.908 -1.930 11.802 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.490 -0.778 12.987 1.00 0.00 H new ATOM 0 HG SER A 39 3.799 -2.762 13.956 1.00 0.00 H new ATOM 564 N LEU A 40 3.548 1.630 11.059 1.00 0.00 N ATOM 565 CA LEU A 40 4.018 2.452 9.964 1.00 0.00 C ATOM 566 C LEU A 40 5.232 3.224 10.464 1.00 0.00 C ATOM 567 O LEU A 40 5.138 3.966 11.442 1.00 0.00 O ATOM 568 CB LEU A 40 2.881 3.371 9.501 1.00 0.00 C ATOM 569 CG LEU A 40 2.878 3.582 7.983 1.00 0.00 C ATOM 570 CD1 LEU A 40 1.692 4.467 7.642 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.151 4.222 7.423 1.00 0.00 C ATOM 0 H LEU A 40 3.651 2.076 11.971 1.00 0.00 H new ATOM 0 HA LEU A 40 4.315 1.858 9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.926 2.944 9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.973 4.336 9.999 1.00 0.00 H new ATOM 0 HG LEU A 40 2.818 2.595 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.662 4.636 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.770 3.978 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.791 5.423 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.058 4.332 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.295 5.203 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.008 3.588 7.651 1.00 0.00 H new ATOM 583 N LYS A 41 6.389 3.032 9.832 1.00 0.00 N ATOM 584 CA LYS A 41 7.666 3.599 10.261 1.00 0.00 C ATOM 585 C LYS A 41 8.232 4.578 9.224 1.00 0.00 C ATOM 586 O LYS A 41 9.282 5.170 9.459 1.00 0.00 O ATOM 587 CB LYS A 41 8.583 2.423 10.633 1.00 0.00 C ATOM 588 CG LYS A 41 9.988 2.819 11.098 1.00 0.00 C ATOM 589 CD LYS A 41 10.624 1.758 12.006 1.00 0.00 C ATOM 590 CE LYS A 41 10.042 1.745 13.427 1.00 0.00 C ATOM 591 NZ LYS A 41 10.361 2.973 14.192 1.00 0.00 N ATOM 0 H LYS A 41 6.466 2.465 8.988 1.00 0.00 H new ATOM 0 HA LYS A 41 7.554 4.226 11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.105 1.845 11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.675 1.766 9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.625 2.977 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.937 3.768 11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.486 0.775 11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.698 1.935 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.960 1.630 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.427 0.878 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.109 2.835 15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.378 3.175 14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.820 3.773 13.806 1.00 0.00 H new ATOM 605 N GLY A 42 7.533 4.812 8.116 1.00 0.00 N ATOM 606 CA GLY A 42 7.931 5.727 7.063 1.00 0.00 C ATOM 607 C GLY A 42 7.827 4.959 5.767 1.00 0.00 C ATOM 608 O GLY A 42 6.726 4.605 5.358 1.00 0.00 O ATOM 0 H GLY A 42 6.643 4.351 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.285 6.605 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.949 6.083 7.222 1.00 0.00 H new ATOM 612 N SER A 43 8.951 4.605 5.154 1.00 0.00 N ATOM 613 CA SER A 43 9.005 3.691 4.012 1.00 0.00 C ATOM 614 C SER A 43 8.794 2.224 4.423 1.00 0.00 C ATOM 615 O SER A 43 9.376 1.325 3.809 1.00 0.00 O ATOM 616 CB SER A 43 10.356 3.865 3.316 1.00 0.00 C ATOM 617 OG SER A 43 11.386 3.830 4.293 1.00 0.00 O ATOM 0 H SER A 43 9.868 4.949 5.439 1.00 0.00 H new ATOM 0 HA SER A 43 8.190 3.939 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.506 3.074 2.582 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.382 4.811 2.775 1.00 0.00 H new ATOM 0 HG SER A 43 12.256 3.939 3.855 1.00 0.00 H new ATOM 623 N LEU A 44 8.022 1.963 5.478 1.00 0.00 N ATOM 624 CA LEU A 44 7.679 0.619 5.909 1.00 0.00 C ATOM 625 C LEU A 44 6.356 0.618 6.658 1.00 0.00 C ATOM 626 O LEU A 44 6.309 1.071 7.806 1.00 0.00 O ATOM 627 CB LEU A 44 8.773 0.008 6.793 1.00 0.00 C ATOM 628 CG LEU A 44 8.575 -1.522 6.841 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.232 -2.197 5.633 1.00 0.00 C ATOM 630 CD2 LEU A 44 9.125 -2.090 8.145 1.00 0.00 C ATOM 0 H LEU A 44 7.614 2.694 6.062 1.00 0.00 H new ATOM 0 HA LEU A 44 7.587 0.007 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.759 0.249 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.724 0.427 7.798 1.00 0.00 H new ATOM 0 HG LEU A 44 7.506 -1.730 6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.078 -3.275 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.785 -1.815 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.301 -1.982 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.977 -3.170 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.190 -1.868 8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.602 -1.639 8.988 1.00 0.00 H new ATOM 642 N ALA A 45 5.307 0.068 6.054 1.00 0.00 N ATOM 643 CA ALA A 45 4.100 -0.315 6.778 1.00 0.00 C ATOM 644 C ALA A 45 4.107 -1.824 6.994 1.00 0.00 C ATOM 645 O ALA A 45 4.799 -2.534 6.265 1.00 0.00 O ATOM 646 CB ALA A 45 2.845 0.104 6.010 1.00 0.00 C ATOM 0 H ALA A 45 5.270 -0.124 5.053 1.00 0.00 H new ATOM 0 HA ALA A 45 4.087 0.195 7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.959 -0.193 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.844 1.186 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.836 -0.382 5.034 1.00 0.00 H new ATOM 652 N TRP A 46 3.293 -2.292 7.936 1.00 0.00 N ATOM 653 CA TRP A 46 2.908 -3.687 8.136 1.00 0.00 C ATOM 654 C TRP A 46 1.383 -3.770 8.185 1.00 0.00 C ATOM 655 O TRP A 46 0.750 -2.898 8.795 1.00 0.00 O ATOM 656 CB TRP A 46 3.527 -4.230 9.430 1.00 0.00 C ATOM 657 CG TRP A 46 4.893 -4.824 9.269 1.00 0.00 C ATOM 658 CD1 TRP A 46 6.073 -4.161 9.295 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.228 -6.218 9.005 1.00 0.00 C ATOM 660 NE1 TRP A 46 7.111 -5.056 9.107 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.644 -6.333 8.891 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.471 -7.393 8.820 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.278 -7.549 8.591 1.00 0.00 C ATOM 664 CZ3 TRP A 46 5.095 -8.616 8.521 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.494 -8.699 8.402 1.00 0.00 C ATOM 0 H TRP A 46 2.859 -1.672 8.620 1.00 0.00 H new ATOM 0 HA TRP A 46 3.277 -4.297 7.312 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.581 -3.421 10.158 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.862 -4.988 9.844 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.187 -3.097 9.440 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.099 -4.802 9.126 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.395 -7.352 8.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.354 -7.600 8.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.494 -9.502 8.381 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.963 -9.643 8.166 1.00 0.00 H new ATOM 676 N LEU A 47 0.803 -4.794 7.553 1.00 0.00 N ATOM 677 CA LEU A 47 -0.629 -4.983 7.345 1.00 0.00 C ATOM 678 C LEU A 47 -1.145 -6.296 7.951 1.00 0.00 C ATOM 679 O LEU A 47 -0.354 -7.180 8.284 1.00 0.00 O ATOM 680 CB LEU A 47 -0.921 -5.070 5.843 1.00 0.00 C ATOM 681 CG LEU A 47 -0.446 -3.975 4.885 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.639 -2.554 5.426 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.979 -4.185 4.378 1.00 0.00 C ATOM 0 H LEU A 47 1.353 -5.553 7.152 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.121 -4.136 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.498 -6.010 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.003 -5.145 5.731 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.107 -4.074 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.279 -1.833 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.697 -2.379 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.078 -2.438 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.249 -3.372 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.667 -4.200 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.039 -5.134 3.844 1.00 0.00 H new ATOM 695 N GLU A 48 -2.476 -6.446 8.004 1.00 0.00 N ATOM 696 CA GLU A 48 -3.162 -7.608 8.600 1.00 0.00 C ATOM 697 C GLU A 48 -4.369 -8.169 7.824 1.00 0.00 C ATOM 698 O GLU A 48 -5.199 -8.883 8.399 1.00 0.00 O ATOM 699 CB GLU A 48 -3.509 -7.274 10.057 1.00 0.00 C ATOM 700 CG GLU A 48 -4.574 -6.187 10.197 1.00 0.00 C ATOM 701 CD GLU A 48 -4.878 -5.819 11.660 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.109 -6.177 12.581 1.00 0.00 O ATOM 703 OE2 GLU A 48 -5.883 -5.100 11.863 1.00 0.00 O ATOM 0 H GLU A 48 -3.121 -5.751 7.627 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.457 -8.438 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.857 -8.179 10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.604 -6.953 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.244 -5.294 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.492 -6.523 9.716 1.00 0.00 H new ATOM 710 N LEU A 49 -4.453 -7.912 6.518 1.00 0.00 N ATOM 711 CA LEU A 49 -5.605 -8.200 5.658 1.00 0.00 C ATOM 712 C LEU A 49 -6.927 -7.612 6.181 1.00 0.00 C ATOM 713 O LEU A 49 -6.945 -6.774 7.089 1.00 0.00 O ATOM 714 CB LEU A 49 -5.665 -9.712 5.346 1.00 0.00 C ATOM 715 CG LEU A 49 -5.009 -10.132 4.016 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.306 -11.607 3.752 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.506 -9.374 2.778 1.00 0.00 C ATOM 0 H LEU A 49 -3.685 -7.477 6.006 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.458 -7.678 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.182 -10.254 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.710 -10.023 5.332 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.950 -9.909 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.844 -11.909 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.902 -12.211 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.384 -11.756 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.985 -9.741 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.578 -9.533 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.308 -8.309 2.900 1.00 0.00 H new ATOM 729 N PHE A 50 -8.036 -7.948 5.512 1.00 0.00 N ATOM 730 CA PHE A 50 -9.372 -7.457 5.792 1.00 0.00 C ATOM 731 C PHE A 50 -10.380 -8.606 5.732 1.00 0.00 C ATOM 732 O PHE A 50 -10.655 -9.167 4.667 1.00 0.00 O ATOM 733 CB PHE A 50 -9.731 -6.361 4.785 1.00 0.00 C ATOM 734 CG PHE A 50 -10.247 -5.107 5.428 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.564 -5.064 5.898 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.409 -3.993 5.578 1.00 0.00 C ATOM 737 CE1 PHE A 50 -12.053 -3.899 6.507 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.901 -2.823 6.165 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.222 -2.776 6.638 1.00 0.00 C ATOM 0 H PHE A 50 -8.016 -8.599 4.727 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.403 -7.035 6.797 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.849 -6.120 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.484 -6.743 4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.204 -5.928 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.384 -4.038 5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.068 -3.866 6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.264 -1.955 6.255 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.598 -1.876 7.102 1.00 0.00 H new ATOM 781 N GLN A 54 -8.426 -13.407 1.100 1.00 0.00 N ATOM 782 CA GLN A 54 -6.968 -13.520 1.072 1.00 0.00 C ATOM 783 C GLN A 54 -6.526 -13.753 -0.378 1.00 0.00 C ATOM 784 O GLN A 54 -7.355 -14.182 -1.186 1.00 0.00 O ATOM 785 CB GLN A 54 -6.510 -14.676 1.997 1.00 0.00 C ATOM 786 CG GLN A 54 -7.183 -16.022 1.646 1.00 0.00 C ATOM 787 CD GLN A 54 -6.681 -17.252 2.403 1.00 0.00 C ATOM 788 OE1 GLN A 54 -6.917 -18.380 1.974 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.080 -17.128 3.575 1.00 0.00 N ATOM 0 HA GLN A 54 -6.507 -12.604 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.428 -14.786 1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.737 -14.420 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.254 -15.925 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.052 -16.201 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.876 -16.201 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.821 -17.960 4.106 1.00 0.00 H new ATOM 798 N PRO A 55 -5.259 -13.492 -0.739 1.00 0.00 N ATOM 799 CA PRO A 55 -4.746 -13.894 -2.039 1.00 0.00 C ATOM 800 C PRO A 55 -4.524 -15.416 -2.111 1.00 0.00 C ATOM 801 O PRO A 55 -4.522 -16.086 -1.079 1.00 0.00 O ATOM 802 CB PRO A 55 -3.437 -13.131 -2.227 1.00 0.00 C ATOM 803 CG PRO A 55 -2.991 -12.765 -0.817 1.00 0.00 C ATOM 804 CD PRO A 55 -4.232 -12.847 0.061 1.00 0.00 C ATOM 0 HA PRO A 55 -5.457 -13.661 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.690 -13.745 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.583 -12.241 -2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.219 -13.449 -0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.564 -11.763 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.030 -13.418 0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.552 -11.853 0.375 1.00 0.00 H new ATOM 812 N PRO A 56 -4.300 -15.964 -3.319 1.00 0.00 N ATOM 813 CA PRO A 56 -3.930 -17.367 -3.506 1.00 0.00 C ATOM 814 C PRO A 56 -2.568 -17.720 -2.875 1.00 0.00 C ATOM 815 O PRO A 56 -1.685 -16.856 -2.787 1.00 0.00 O ATOM 816 CB PRO A 56 -3.917 -17.587 -5.025 1.00 0.00 C ATOM 817 CG PRO A 56 -3.797 -16.183 -5.616 1.00 0.00 C ATOM 818 CD PRO A 56 -4.468 -15.285 -4.595 1.00 0.00 C ATOM 0 HA PRO A 56 -4.642 -18.021 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.081 -18.217 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.828 -18.083 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.754 -15.903 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.288 -16.117 -6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.009 -14.297 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.523 -15.143 -4.829 1.00 0.00 H new ATOM 826 N PRO A 57 -2.339 -19.003 -2.530 1.00 0.00 N ATOM 827 CA PRO A 57 -1.092 -19.466 -1.936 1.00 0.00 C ATOM 828 C PRO A 57 0.056 -19.389 -2.937 1.00 0.00 C ATOM 829 O PRO A 57 -0.165 -19.336 -4.156 1.00 0.00 O ATOM 830 CB PRO A 57 -1.336 -20.916 -1.506 1.00 0.00 C ATOM 831 CG PRO A 57 -2.428 -21.383 -2.461 1.00 0.00 C ATOM 832 CD PRO A 57 -3.253 -20.119 -2.695 1.00 0.00 C ATOM 0 HA PRO A 57 -0.808 -18.841 -1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.434 -21.521 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.656 -20.979 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.011 -21.769 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.029 -22.181 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.691 -20.119 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.078 -20.055 -1.985 1.00 0.00 H new ATOM 840 N ASN A 58 1.291 -19.399 -2.421 1.00 0.00 N ATOM 841 CA ASN A 58 2.565 -19.267 -3.145 1.00 0.00 C ATOM 842 C ASN A 58 2.647 -18.021 -4.036 1.00 0.00 C ATOM 843 O ASN A 58 3.613 -17.849 -4.782 1.00 0.00 O ATOM 844 CB ASN A 58 2.868 -20.533 -3.970 1.00 0.00 C ATOM 845 CG ASN A 58 3.419 -21.699 -3.167 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.759 -21.600 -1.992 1.00 0.00 O ATOM 847 ND2 ASN A 58 3.500 -22.847 -3.802 1.00 0.00 N ATOM 0 H ASN A 58 1.439 -19.507 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 58 3.326 -19.145 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.953 -20.853 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.584 -20.278 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.850 -23.674 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.213 -22.911 -4.779 1.00 0.00 H new ATOM 854 N THR A 59 1.632 -17.160 -4.032 1.00 0.00 N ATOM 855 CA THR A 59 1.473 -16.123 -5.034 1.00 0.00 C ATOM 856 C THR A 59 2.024 -14.810 -4.500 1.00 0.00 C ATOM 857 O THR A 59 2.758 -14.140 -5.220 1.00 0.00 O ATOM 858 CB THR A 59 0.005 -16.060 -5.465 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.392 -17.324 -5.969 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.207 -15.048 -6.575 1.00 0.00 C ATOM 0 H THR A 59 0.895 -17.167 -3.327 1.00 0.00 H new ATOM 0 HA THR A 59 2.048 -16.347 -5.932 1.00 0.00 H new ATOM 0 HB THR A 59 -0.579 -15.772 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.423 -17.974 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.260 -15.031 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.093 -14.059 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.394 -15.326 -7.441 1.00 0.00 H new ATOM 868 N LEU A 60 1.741 -14.453 -3.242 1.00 0.00 N ATOM 869 CA LEU A 60 2.473 -13.365 -2.607 1.00 0.00 C ATOM 870 C LEU A 60 3.949 -13.736 -2.513 1.00 0.00 C ATOM 871 O LEU A 60 4.312 -14.897 -2.300 1.00 0.00 O ATOM 872 CB LEU A 60 1.900 -13.010 -1.223 1.00 0.00 C ATOM 873 CG LEU A 60 0.743 -12.001 -1.301 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.126 -11.716 0.063 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.156 -10.644 -1.890 1.00 0.00 C ATOM 0 H LEU A 60 1.028 -14.892 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 60 2.363 -12.473 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.551 -13.920 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.694 -12.598 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 60 0.021 -12.486 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.686 -10.998 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.264 -12.642 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.886 -11.305 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.292 -9.980 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.936 -10.201 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.534 -10.787 -2.902 1.00 0.00 H new ATOM 887 N SER A 61 4.806 -12.740 -2.690 1.00 0.00 N ATOM 888 CA SER A 61 6.241 -12.867 -2.558 1.00 0.00 C ATOM 889 C SER A 61 6.787 -11.559 -1.999 1.00 0.00 C ATOM 890 O SER A 61 6.120 -10.524 -2.056 1.00 0.00 O ATOM 891 CB SER A 61 6.842 -13.157 -3.933 1.00 0.00 C ATOM 892 OG SER A 61 6.188 -14.247 -4.566 1.00 0.00 O ATOM 0 H SER A 61 4.508 -11.796 -2.936 1.00 0.00 H new ATOM 0 HA SER A 61 6.500 -13.684 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.763 -12.269 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.904 -13.379 -3.828 1.00 0.00 H new ATOM 0 HG SER A 61 6.594 -14.407 -5.444 1.00 0.00 H new ATOM 898 N GLU A 62 8.015 -11.586 -1.498 1.00 0.00 N ATOM 899 CA GLU A 62 8.553 -10.504 -0.663 1.00 0.00 C ATOM 900 C GLU A 62 8.997 -9.280 -1.469 1.00 0.00 C ATOM 901 O GLU A 62 9.402 -8.255 -0.927 1.00 0.00 O ATOM 902 CB GLU A 62 9.721 -10.997 0.188 1.00 0.00 C ATOM 903 CG GLU A 62 9.415 -12.322 0.888 1.00 0.00 C ATOM 904 CD GLU A 62 10.325 -12.567 2.089 1.00 0.00 C ATOM 905 OE1 GLU A 62 10.117 -11.934 3.145 1.00 0.00 O ATOM 906 OE2 GLU A 62 11.207 -13.449 1.990 1.00 0.00 O ATOM 0 H GLU A 62 8.669 -12.353 -1.654 1.00 0.00 H new ATOM 0 HA GLU A 62 7.730 -10.193 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.601 -11.118 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.966 -10.243 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.376 -12.325 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.527 -13.140 0.177 1.00 0.00 H new ATOM 913 N GLY A 63 8.902 -9.375 -2.785 1.00 0.00 N ATOM 914 CA GLY A 63 9.217 -8.342 -3.746 1.00 0.00 C ATOM 915 C GLY A 63 8.146 -8.342 -4.822 1.00 0.00 C ATOM 916 O GLY A 63 8.446 -8.029 -5.973 1.00 0.00 O ATOM 0 H GLY A 63 8.582 -10.233 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.261 -7.369 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.197 -8.522 -4.187 1.00 0.00 H new ATOM 920 N ALA A 64 6.906 -8.719 -4.473 1.00 0.00 N ATOM 921 CA ALA A 64 5.765 -8.442 -5.331 1.00 0.00 C ATOM 922 C ALA A 64 5.706 -6.924 -5.469 1.00 0.00 C ATOM 923 O ALA A 64 5.748 -6.230 -4.448 1.00 0.00 O ATOM 924 CB ALA A 64 4.474 -9.013 -4.725 1.00 0.00 C ATOM 0 H ALA A 64 6.679 -9.211 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 64 5.868 -8.915 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.634 -8.793 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.572 -10.092 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.298 -8.559 -3.750 1.00 0.00 H new ATOM 930 N GLU A 65 5.685 -6.409 -6.698 1.00 0.00 N ATOM 931 CA GLU A 65 5.306 -5.038 -6.934 1.00 0.00 C ATOM 932 C GLU A 65 3.821 -4.944 -6.659 1.00 0.00 C ATOM 933 O GLU A 65 3.014 -5.805 -7.030 1.00 0.00 O ATOM 934 CB GLU A 65 5.650 -4.537 -8.337 1.00 0.00 C ATOM 935 CG GLU A 65 4.959 -5.284 -9.474 1.00 0.00 C ATOM 936 CD GLU A 65 5.122 -4.542 -10.790 1.00 0.00 C ATOM 937 OE1 GLU A 65 6.148 -4.751 -11.477 1.00 0.00 O ATOM 938 OE2 GLU A 65 4.179 -3.815 -11.175 1.00 0.00 O ATOM 0 H GLU A 65 5.928 -6.931 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 65 5.878 -4.388 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.389 -3.481 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.729 -4.608 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.378 -6.286 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.899 -5.400 -9.247 1.00 0.00 H new ATOM 945 N VAL A 66 3.508 -3.878 -5.957 1.00 0.00 N ATOM 946 CA VAL A 66 2.198 -3.598 -5.432 1.00 0.00 C ATOM 947 C VAL A 66 2.010 -2.075 -5.440 1.00 0.00 C ATOM 948 O VAL A 66 2.993 -1.322 -5.429 1.00 0.00 O ATOM 949 CB VAL A 66 2.076 -4.231 -4.035 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.126 -5.762 -4.061 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.129 -3.798 -3.018 1.00 0.00 C ATOM 0 H VAL A 66 4.190 -3.155 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 66 1.402 -4.032 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 66 1.100 -3.861 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.035 -6.146 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.305 -6.143 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.074 -6.088 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.949 -4.304 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.121 -4.061 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.071 -2.720 -2.871 1.00 0.00 H new ATOM 961 N SER A 67 0.783 -1.574 -5.442 1.00 0.00 N ATOM 962 CA SER A 67 0.490 -0.147 -5.520 1.00 0.00 C ATOM 963 C SER A 67 -0.458 0.264 -4.390 1.00 0.00 C ATOM 964 O SER A 67 -1.243 -0.559 -3.910 1.00 0.00 O ATOM 965 CB SER A 67 -0.058 0.207 -6.907 1.00 0.00 C ATOM 966 OG SER A 67 -0.079 -0.852 -7.860 1.00 0.00 O ATOM 0 H SER A 67 -0.053 -2.157 -5.389 1.00 0.00 H new ATOM 0 HA SER A 67 1.410 0.421 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.074 0.583 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.539 1.023 -7.314 1.00 0.00 H new ATOM 0 HG SER A 67 -0.446 -0.523 -8.707 1.00 0.00 H new ATOM 972 N VAL A 68 -0.382 1.524 -3.954 1.00 0.00 N ATOM 973 CA VAL A 68 -1.123 2.045 -2.811 1.00 0.00 C ATOM 974 C VAL A 68 -1.763 3.358 -3.206 1.00 0.00 C ATOM 975 O VAL A 68 -1.045 4.263 -3.620 1.00 0.00 O ATOM 976 CB VAL A 68 -0.240 2.180 -1.552 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.385 0.921 -0.693 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.236 2.543 -1.813 1.00 0.00 C ATOM 0 H VAL A 68 0.212 2.224 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.904 1.335 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.613 3.047 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.238 1.014 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.427 0.801 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.069 0.050 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.767 2.613 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.697 1.772 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.289 3.501 -2.330 1.00 0.00 H new ATOM 988 N SER A 69 -3.092 3.444 -3.109 1.00 0.00 N ATOM 989 CA SER A 69 -3.874 4.519 -3.699 1.00 0.00 C ATOM 990 C SER A 69 -5.081 4.835 -2.814 1.00 0.00 C ATOM 991 O SER A 69 -6.100 4.143 -2.891 1.00 0.00 O ATOM 992 CB SER A 69 -4.319 4.133 -5.110 1.00 0.00 C ATOM 993 OG SER A 69 -3.415 3.269 -5.793 1.00 0.00 O ATOM 0 H SER A 69 -3.657 2.757 -2.610 1.00 0.00 H new ATOM 0 HA SER A 69 -3.256 5.414 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.293 3.648 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.450 5.041 -5.698 1.00 0.00 H new ATOM 0 HG SER A 69 -3.767 3.066 -6.685 1.00 0.00 H new ATOM 999 N VAL A 70 -4.964 5.783 -1.899 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.950 6.063 -0.856 1.00 0.00 C ATOM 1001 C VAL A 70 -6.358 7.525 -0.943 1.00 0.00 C ATOM 1002 O VAL A 70 -5.558 8.405 -1.255 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.434 5.643 0.536 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.211 6.425 1.017 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.541 5.746 1.592 1.00 0.00 C ATOM 0 H VAL A 70 -4.155 6.402 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.845 5.461 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.121 4.606 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.914 6.066 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.389 6.281 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.457 7.485 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.147 5.444 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.895 6.775 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.369 5.092 1.317 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.632 7.769 -0.677 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.249 9.070 -0.746 1.00 0.00 C ATOM 1017 C TRP A 71 -8.221 9.657 0.665 1.00 0.00 C ATOM 1018 O TRP A 71 -8.971 9.197 1.522 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.649 8.859 -1.332 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.646 8.685 -2.828 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.638 7.529 -3.537 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -9.629 9.744 -3.817 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -9.589 7.817 -4.895 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -9.620 9.176 -5.122 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -9.599 11.144 -3.728 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -9.632 9.969 -6.281 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -9.715 11.947 -4.871 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -9.749 11.364 -6.144 1.00 0.00 C ATOM 0 H TRP A 71 -8.282 7.034 -0.398 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.738 9.787 -1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.100 7.980 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.277 9.712 -1.073 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.666 6.537 -3.111 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.537 7.112 -5.631 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.484 11.611 -2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.553 9.517 -7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -9.778 13.020 -4.770 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.865 11.985 -7.020 1.00 0.00 H new ATOM 1039 N THR A 72 -7.307 10.585 0.959 1.00 0.00 N ATOM 1040 CA THR A 72 -7.144 11.139 2.302 1.00 0.00 C ATOM 1041 C THR A 72 -6.580 12.567 2.207 1.00 0.00 C ATOM 1042 O THR A 72 -5.968 12.920 1.196 1.00 0.00 O ATOM 1043 CB THR A 72 -6.287 10.144 3.114 1.00 0.00 C ATOM 1044 OG1 THR A 72 -6.433 10.359 4.502 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.808 10.191 2.726 1.00 0.00 C ATOM 0 H THR A 72 -6.660 10.972 0.272 1.00 0.00 H new ATOM 0 HA THR A 72 -8.090 11.250 2.833 1.00 0.00 H new ATOM 0 HB THR A 72 -6.658 9.149 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.341 9.506 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.251 9.472 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.701 9.942 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.417 11.193 2.904 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.765 13.403 3.232 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.290 14.787 3.241 1.00 0.00 C ATOM 1055 C GLY A 73 -6.841 15.597 2.062 1.00 0.00 C ATOM 1056 O GLY A 73 -6.100 16.338 1.414 1.00 0.00 O ATOM 0 H GLY A 73 -7.253 13.135 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.584 15.264 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.201 14.795 3.208 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.122 15.404 1.734 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.798 16.092 0.640 1.00 0.00 C ATOM 1062 C GLY A 74 -8.313 15.685 -0.756 1.00 0.00 C ATOM 1063 O GLY A 74 -8.773 16.272 -1.735 1.00 0.00 O ATOM 0 H GLY A 74 -8.726 14.752 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.868 15.899 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.660 17.166 0.761 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.402 14.714 -0.890 1.00 0.00 N ATOM 1068 CA ALA A 75 -6.817 14.349 -2.169 1.00 0.00 C ATOM 1069 C ALA A 75 -6.657 12.840 -2.330 1.00 0.00 C ATOM 1070 O ALA A 75 -7.033 12.069 -1.444 1.00 0.00 O ATOM 1071 CB ALA A 75 -5.509 15.130 -2.343 1.00 0.00 C ATOM 0 H ALA A 75 -7.054 14.162 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.495 14.628 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.054 14.869 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.718 16.200 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.824 14.877 -1.534 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.182 12.416 -3.506 1.00 0.00 N ATOM 1078 CA LEU A 76 -5.794 11.044 -3.785 1.00 0.00 C ATOM 1079 C LEU A 76 -4.279 10.950 -3.712 1.00 0.00 C ATOM 1080 O LEU A 76 -3.553 11.532 -4.523 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.315 10.610 -5.150 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.188 9.111 -5.499 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -5.092 8.910 -6.523 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.101 8.100 -4.356 1.00 0.00 C ATOM 0 H LEU A 76 -6.057 13.038 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.231 10.371 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.367 10.886 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.787 11.182 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.165 8.864 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.009 7.850 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.332 9.470 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.145 9.265 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.016 7.094 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.226 8.318 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.999 8.167 -3.742 1.00 0.00 H new ATOM 1096 N CYS A 77 -3.838 10.179 -2.734 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.469 9.800 -2.459 1.00 0.00 C ATOM 1098 C CYS A 77 -2.280 8.489 -3.172 1.00 0.00 C ATOM 1099 O CYS A 77 -2.891 7.494 -2.776 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.307 9.628 -0.940 1.00 0.00 C ATOM 1101 SG CYS A 77 -0.989 8.496 -0.452 1.00 0.00 S ATOM 0 H CYS A 77 -4.483 9.770 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.738 10.538 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.114 10.604 -0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.249 9.269 -0.525 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.103 9.138 0.250 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.447 8.464 -4.206 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.086 7.214 -4.843 1.00 0.00 C ATOM 1109 C ARG A 78 0.423 7.139 -4.962 1.00 0.00 C ATOM 1110 O ARG A 78 1.035 8.098 -5.421 1.00 0.00 O ATOM 1111 CB ARG A 78 -1.889 7.034 -6.140 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.563 5.724 -6.867 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.366 5.818 -7.835 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.636 5.143 -9.116 1.00 0.00 N ATOM 1115 CZ ARG A 78 -1.496 5.542 -10.063 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -2.157 6.689 -9.924 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.710 4.787 -11.132 1.00 0.00 N ATOM 0 H ARG A 78 -1.014 9.292 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.364 6.348 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.954 7.060 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.687 7.873 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.356 4.952 -6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.443 5.403 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.131 6.866 -8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.513 5.372 -7.369 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.116 4.285 -9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.009 7.266 -9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.811 6.991 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.219 3.899 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.365 5.094 -11.851 1.00 0.00 H new ATOM 1131 N CYS A 79 1.010 6.038 -4.499 1.00 0.00 N ATOM 1132 CA CYS A 79 2.417 5.738 -4.709 1.00 0.00 C ATOM 1133 C CYS A 79 2.577 4.285 -5.142 1.00 0.00 C ATOM 1134 O CYS A 79 1.652 3.473 -5.048 1.00 0.00 O ATOM 1135 CB CYS A 79 3.184 6.064 -3.424 1.00 0.00 C ATOM 1136 SG CYS A 79 4.973 6.239 -3.703 1.00 0.00 S ATOM 0 H CYS A 79 0.515 5.325 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 79 2.832 6.350 -5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.794 6.988 -2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.010 5.276 -2.691 1.00 0.00 H new ATOM 0 HG CYS A 79 5.490 5.072 -3.950 1.00 0.00 H new ATOM 1142 N ASP A 80 3.782 3.970 -5.594 1.00 0.00 N ATOM 1143 CA ASP A 80 4.195 2.654 -6.043 1.00 0.00 C ATOM 1144 C ASP A 80 5.119 2.068 -4.971 1.00 0.00 C ATOM 1145 O ASP A 80 5.710 2.809 -4.176 1.00 0.00 O ATOM 1146 CB ASP A 80 4.898 2.806 -7.404 1.00 0.00 C ATOM 1147 CG ASP A 80 3.964 3.390 -8.476 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.910 2.783 -8.764 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.261 4.495 -8.989 1.00 0.00 O ATOM 0 H ASP A 80 4.531 4.659 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 80 3.352 1.976 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.769 3.452 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.263 1.833 -7.733 1.00 0.00 H new ATOM 1154 N GLY A 81 5.257 0.742 -4.927 1.00 0.00 N ATOM 1155 CA GLY A 81 6.019 0.050 -3.893 1.00 0.00 C ATOM 1156 C GLY A 81 6.157 -1.448 -4.137 1.00 0.00 C ATOM 1157 O GLY A 81 5.680 -1.978 -5.144 1.00 0.00 O ATOM 0 H GLY A 81 4.839 0.115 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.013 0.492 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.536 0.210 -2.929 1.00 0.00 H new ATOM 1161 N ARG A 82 6.857 -2.129 -3.225 1.00 0.00 N ATOM 1162 CA ARG A 82 6.984 -3.590 -3.220 1.00 0.00 C ATOM 1163 C ARG A 82 6.878 -4.132 -1.787 1.00 0.00 C ATOM 1164 O ARG A 82 7.101 -3.359 -0.849 1.00 0.00 O ATOM 1165 CB ARG A 82 8.275 -4.075 -3.901 1.00 0.00 C ATOM 1166 CG ARG A 82 8.713 -3.385 -5.201 1.00 0.00 C ATOM 1167 CD ARG A 82 9.693 -2.218 -4.961 1.00 0.00 C ATOM 1168 NE ARG A 82 10.859 -2.320 -5.853 1.00 0.00 N ATOM 1169 CZ ARG A 82 11.897 -3.159 -5.690 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.171 -3.693 -4.503 1.00 0.00 N ATOM 1171 NH2 ARG A 82 12.665 -3.457 -6.733 1.00 0.00 N ATOM 0 H ARG A 82 7.357 -1.676 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 82 6.157 -3.987 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.088 -3.977 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.162 -5.139 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.183 -4.119 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.832 -3.011 -5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.183 -1.269 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.023 -2.223 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 82 10.882 -1.702 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.589 -3.468 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.963 -4.327 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.465 -3.050 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.455 -4.092 -6.620 1.00 0.00 H new ATOM 1185 N VAL A 83 6.621 -5.431 -1.606 1.00 0.00 N ATOM 1186 CA VAL A 83 6.303 -6.056 -0.310 1.00 0.00 C ATOM 1187 C VAL A 83 7.397 -5.872 0.757 1.00 0.00 C ATOM 1188 O VAL A 83 7.091 -5.642 1.917 1.00 0.00 O ATOM 1189 CB VAL A 83 5.896 -7.525 -0.554 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.883 -8.391 0.711 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.498 -7.578 -1.195 1.00 0.00 C ATOM 0 H VAL A 83 6.628 -6.099 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 83 5.454 -5.534 0.131 1.00 0.00 H new ATOM 0 HB VAL A 83 6.659 -7.936 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.587 -9.408 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.879 -8.404 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.174 -7.977 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.215 -8.617 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.774 -7.109 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.513 -7.046 -2.146 1.00 0.00 H new ATOM 1201 N GLU A 84 8.672 -5.890 0.386 1.00 0.00 N ATOM 1202 CA GLU A 84 9.853 -5.807 1.252 1.00 0.00 C ATOM 1203 C GLU A 84 10.071 -7.112 2.014 1.00 0.00 C ATOM 1204 O GLU A 84 11.041 -7.814 1.736 1.00 0.00 O ATOM 1205 CB GLU A 84 9.755 -4.562 2.155 1.00 0.00 C ATOM 1206 CG GLU A 84 11.096 -3.922 2.516 1.00 0.00 C ATOM 1207 CD GLU A 84 11.885 -4.590 3.637 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.278 -5.173 4.563 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.115 -4.371 3.654 1.00 0.00 O ATOM 0 H GLU A 84 8.931 -5.968 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 84 10.748 -5.680 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.136 -3.817 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.241 -4.838 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.719 -3.906 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.915 -2.884 2.797 1.00 0.00 H new ATOM 1216 N THR A 85 9.157 -7.450 2.920 1.00 0.00 N ATOM 1217 CA THR A 85 9.191 -8.648 3.739 1.00 0.00 C ATOM 1218 C THR A 85 7.767 -9.200 3.777 1.00 0.00 C ATOM 1219 O THR A 85 6.811 -8.449 3.996 1.00 0.00 O ATOM 1220 CB THR A 85 9.705 -8.297 5.149 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.000 -7.719 5.137 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.805 -9.530 6.052 1.00 0.00 C ATOM 0 H THR A 85 8.340 -6.869 3.108 1.00 0.00 H new ATOM 0 HA THR A 85 9.867 -9.400 3.331 1.00 0.00 H new ATOM 0 HB THR A 85 8.971 -7.586 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.930 -6.756 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.171 -9.233 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.821 -9.987 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.494 -10.250 5.610 1.00 0.00 H new ATOM 1230 N LEU A 86 7.616 -10.508 3.578 1.00 0.00 N ATOM 1231 CA LEU A 86 6.368 -11.229 3.802 1.00 0.00 C ATOM 1232 C LEU A 86 6.542 -12.099 5.050 1.00 0.00 C ATOM 1233 O LEU A 86 7.666 -12.426 5.435 1.00 0.00 O ATOM 1234 CB LEU A 86 6.026 -12.063 2.554 1.00 0.00 C ATOM 1235 CG LEU A 86 4.530 -12.418 2.437 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.834 -11.361 1.580 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.291 -13.784 1.788 1.00 0.00 C ATOM 0 H LEU A 86 8.374 -11.107 3.250 1.00 0.00 H new ATOM 0 HA LEU A 86 5.537 -10.544 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.330 -11.511 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.609 -12.984 2.572 1.00 0.00 H new ATOM 0 HG LEU A 86 4.130 -12.451 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.775 -11.604 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.944 -10.383 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.286 -11.342 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.220 -13.978 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.713 -13.788 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.770 -14.560 2.385 1.00 0.00 H new ATOM 1249 N ARG A 87 5.439 -12.483 5.694 1.00 0.00 N ATOM 1250 CA ARG A 87 5.467 -13.283 6.917 1.00 0.00 C ATOM 1251 C ARG A 87 4.423 -14.381 6.873 1.00 0.00 C ATOM 1252 O ARG A 87 4.783 -15.547 7.026 1.00 0.00 O ATOM 1253 CB ARG A 87 5.351 -12.354 8.132 1.00 0.00 C ATOM 1254 CG ARG A 87 4.769 -13.012 9.386 1.00 0.00 C ATOM 1255 CD ARG A 87 4.902 -12.043 10.554 1.00 0.00 C ATOM 1256 NE ARG A 87 4.025 -12.437 11.662 1.00 0.00 N ATOM 1257 CZ ARG A 87 4.344 -12.407 12.957 1.00 0.00 C ATOM 1258 NH1 ARG A 87 5.583 -12.130 13.364 1.00 0.00 N ATOM 1259 NH2 ARG A 87 3.414 -12.671 13.862 1.00 0.00 N ATOM 0 H ARG A 87 4.498 -12.246 5.380 1.00 0.00 H new ATOM 0 HA ARG A 87 6.420 -13.804 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.340 -11.963 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.727 -11.502 7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.722 -13.269 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.296 -13.941 9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.937 -12.018 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.650 -11.035 10.226 1.00 0.00 H new ATOM 0 HE ARG A 87 3.089 -12.763 11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.313 -11.935 12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.801 -12.113 14.360 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.464 -12.895 13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.648 -12.651 14.855 1.00 0.00 H new ATOM 1273 N ASP A 88 3.166 -14.007 6.667 1.00 0.00 N ATOM 1274 CA ASP A 88 2.083 -14.910 6.328 1.00 0.00 C ATOM 1275 C ASP A 88 1.509 -14.381 5.024 1.00 0.00 C ATOM 1276 O ASP A 88 1.685 -13.211 4.674 1.00 0.00 O ATOM 1277 CB ASP A 88 0.939 -14.898 7.361 1.00 0.00 C ATOM 1278 CG ASP A 88 1.246 -15.445 8.752 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.110 -16.678 8.938 1.00 0.00 O ATOM 1280 OD2 ASP A 88 1.412 -14.630 9.685 1.00 0.00 O ATOM 0 H ASP A 88 2.867 -13.034 6.735 1.00 0.00 H new ATOM 0 HA ASP A 88 2.471 -15.928 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.595 -13.870 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.107 -15.470 6.950 1.00 0.00 H new ATOM 1285 N ASP A 89 0.652 -15.178 4.402 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.145 -14.781 3.238 1.00 0.00 C ATOM 1287 C ASP A 89 -1.163 -13.689 3.610 1.00 0.00 C ATOM 1288 O ASP A 89 -1.828 -13.134 2.736 1.00 0.00 O ATOM 1289 CB ASP A 89 -0.868 -16.004 2.648 1.00 0.00 C ATOM 1290 CG ASP A 89 0.058 -16.953 1.878 1.00 0.00 C ATOM 1291 OD1 ASP A 89 1.271 -17.038 2.185 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -0.441 -17.713 1.025 1.00 0.00 O ATOM 0 H ASP A 89 0.484 -16.141 4.695 1.00 0.00 H new ATOM 0 HA ASP A 89 0.531 -14.371 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.349 -16.556 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.659 -15.661 1.981 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.286 -13.361 4.907 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.134 -12.291 5.419 1.00 0.00 C ATOM 1299 C ARG A 90 -1.402 -11.193 6.181 1.00 0.00 C ATOM 1300 O ARG A 90 -2.010 -10.153 6.421 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.269 -12.834 6.285 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.850 -13.728 7.457 1.00 0.00 C ATOM 1303 CD ARG A 90 -3.818 -13.508 8.627 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.169 -14.735 9.360 1.00 0.00 N ATOM 1305 CZ ARG A 90 -5.257 -14.835 10.136 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.940 -13.742 10.466 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -5.675 -16.032 10.550 1.00 0.00 N ATOM 0 H ARG A 90 -0.780 -13.852 5.644 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.535 -11.827 4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.833 -11.990 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.948 -13.400 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.859 -14.775 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.831 -13.493 7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.373 -12.797 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.732 -13.052 8.247 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.556 -15.546 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.635 -12.829 10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.768 -13.817 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.166 -16.873 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.503 -16.107 11.141 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.146 -11.391 6.583 1.00 0.00 N ATOM 1322 CA GLN A 91 0.592 -10.440 7.397 1.00 0.00 C ATOM 1323 C GLN A 91 1.917 -10.224 6.711 1.00 0.00 C ATOM 1324 O GLN A 91 2.680 -11.168 6.509 1.00 0.00 O ATOM 1325 CB GLN A 91 0.857 -10.962 8.806 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.410 -11.211 9.631 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.114 -11.717 11.047 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.771 -12.629 11.550 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.848 -11.154 11.764 1.00 0.00 N ATOM 0 H GLN A 91 0.388 -12.227 6.347 1.00 0.00 H new ATOM 0 HA GLN A 91 0.008 -9.525 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.421 -11.892 8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.487 -10.246 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.983 -10.286 9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.036 -11.939 9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.404 -10.397 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.032 -11.478 12.714 1.00 0.00 H new ATOM 1338 N PHE A 92 2.170 -8.987 6.336 1.00 0.00 N ATOM 1339 CA PHE A 92 3.338 -8.633 5.542 1.00 0.00 C ATOM 1340 C PHE A 92 3.594 -7.135 5.598 1.00 0.00 C ATOM 1341 O PHE A 92 2.765 -6.373 6.110 1.00 0.00 O ATOM 1342 CB PHE A 92 3.159 -9.133 4.102 1.00 0.00 C ATOM 1343 CG PHE A 92 1.845 -8.803 3.422 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.668 -7.550 2.811 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.817 -9.765 3.348 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.474 -7.244 2.143 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.382 -9.463 2.677 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.551 -8.204 2.073 1.00 0.00 C ATOM 0 H PHE A 92 1.573 -8.194 6.572 1.00 0.00 H new ATOM 0 HA PHE A 92 4.218 -9.121 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.967 -8.722 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.279 -10.216 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.459 -6.816 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.950 -10.734 3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.342 -6.275 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.172 -10.197 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.470 -7.974 1.554 1.00 0.00 H new ATOM 1358 N ALA A 93 4.755 -6.728 5.091 1.00 0.00 N ATOM 1359 CA ALA A 93 5.171 -5.346 5.014 1.00 0.00 C ATOM 1360 C ALA A 93 4.857 -4.754 3.637 1.00 0.00 C ATOM 1361 O ALA A 93 4.385 -5.440 2.732 1.00 0.00 O ATOM 1362 CB ALA A 93 6.669 -5.251 5.330 1.00 0.00 C ATOM 0 H ALA A 93 5.446 -7.376 4.714 1.00 0.00 H new ATOM 0 HA ALA A 93 4.616 -4.763 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.988 -4.210 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.854 -5.633 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.231 -5.843 4.608 1.00 0.00 H new ATOM 1368 N ILE A 94 5.177 -3.474 3.461 1.00 0.00 N ATOM 1369 CA ILE A 94 5.421 -2.853 2.167 1.00 0.00 C ATOM 1370 C ILE A 94 6.480 -1.774 2.368 1.00 0.00 C ATOM 1371 O ILE A 94 6.399 -1.022 3.340 1.00 0.00 O ATOM 1372 CB ILE A 94 4.143 -2.201 1.594 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.261 -1.477 2.633 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.356 -3.211 0.747 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.133 -0.645 2.011 1.00 0.00 C ATOM 0 H ILE A 94 5.276 -2.823 4.240 1.00 0.00 H new ATOM 0 HA ILE A 94 5.747 -3.617 1.461 1.00 0.00 H new ATOM 0 HB ILE A 94 4.482 -1.395 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.827 -2.216 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.890 -0.825 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.459 -2.734 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.978 -3.556 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.071 -4.062 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.556 -0.166 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.560 0.118 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.480 -1.295 1.428 1.00 0.00 H new ATOM 1387 N ARG A 95 7.407 -1.599 1.420 1.00 0.00 N ATOM 1388 CA ARG A 95 8.155 -0.362 1.306 1.00 0.00 C ATOM 1389 C ARG A 95 7.487 0.432 0.186 1.00 0.00 C ATOM 1390 O ARG A 95 6.789 -0.127 -0.668 1.00 0.00 O ATOM 1391 CB ARG A 95 9.645 -0.650 1.134 1.00 0.00 C ATOM 1392 CG ARG A 95 10.180 -0.593 -0.284 1.00 0.00 C ATOM 1393 CD ARG A 95 10.661 0.845 -0.524 1.00 0.00 C ATOM 1394 NE ARG A 95 12.126 0.985 -0.543 1.00 0.00 N ATOM 1395 CZ ARG A 95 12.805 2.134 -0.667 1.00 0.00 C ATOM 1396 NH1 ARG A 95 12.177 3.305 -0.750 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.131 2.096 -0.695 1.00 0.00 N ATOM 0 H ARG A 95 7.651 -2.304 0.725 1.00 0.00 H new ATOM 0 HA ARG A 95 8.129 0.250 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.204 0.064 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.851 -1.641 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.998 -1.301 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.405 -0.865 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.259 1.199 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.254 1.489 0.255 1.00 0.00 H new ATOM 0 HE ARG A 95 12.675 0.130 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.158 3.341 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.715 4.167 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.617 1.202 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.664 2.961 -0.789 1.00 0.00 H new ATOM 1411 N LEU A 96 7.739 1.733 0.173 1.00 0.00 N ATOM 1412 CA LEU A 96 7.190 2.705 -0.759 1.00 0.00 C ATOM 1413 C LEU A 96 8.378 3.277 -1.526 1.00 0.00 C ATOM 1414 O LEU A 96 9.368 3.630 -0.881 1.00 0.00 O ATOM 1415 CB LEU A 96 6.467 3.780 0.070 1.00 0.00 C ATOM 1416 CG LEU A 96 5.303 3.231 0.925 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.579 4.354 1.660 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.288 2.448 0.090 1.00 0.00 C ATOM 0 H LEU A 96 8.368 2.162 0.852 1.00 0.00 H new ATOM 0 HA LEU A 96 6.475 2.282 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.189 4.266 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.081 4.546 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 96 5.754 2.551 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.765 3.936 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.279 4.869 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.174 5.061 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.490 2.083 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.866 3.100 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.784 1.603 -0.387 1.00 0.00 H new ATOM 1430 N VAL A 97 8.341 3.296 -2.861 1.00 0.00 N ATOM 1431 CA VAL A 97 9.475 3.726 -3.685 1.00 0.00 C ATOM 1432 C VAL A 97 9.190 5.089 -4.317 1.00 0.00 C ATOM 1433 O VAL A 97 8.039 5.456 -4.549 1.00 0.00 O ATOM 1434 CB VAL A 97 9.837 2.674 -4.762 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.390 1.389 -4.138 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.674 2.272 -5.678 1.00 0.00 C ATOM 0 H VAL A 97 7.524 3.014 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 97 10.342 3.823 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 97 10.591 3.178 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.632 0.676 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.290 1.619 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.642 0.956 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.019 1.532 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.869 1.846 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.306 3.152 -6.207 1.00 0.00 H new ATOM 1446 N GLY A 98 10.256 5.822 -4.631 1.00 0.00 N ATOM 1447 CA GLY A 98 10.222 7.105 -5.284 1.00 0.00 C ATOM 1448 C GLY A 98 9.707 8.106 -4.279 1.00 0.00 C ATOM 1449 O GLY A 98 10.367 8.394 -3.276 1.00 0.00 O ATOM 0 H GLY A 98 11.205 5.513 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.216 7.386 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.575 7.073 -6.161 1.00 0.00 H new ATOM 1453 N ARG A 99 8.505 8.602 -4.545 1.00 0.00 N ATOM 1454 CA ARG A 99 7.759 9.490 -3.680 1.00 0.00 C ATOM 1455 C ARG A 99 6.332 9.649 -4.219 1.00 0.00 C ATOM 1456 O ARG A 99 6.145 9.889 -5.406 1.00 0.00 O ATOM 1457 CB ARG A 99 8.464 10.847 -3.670 1.00 0.00 C ATOM 1458 CG ARG A 99 8.061 11.708 -2.469 1.00 0.00 C ATOM 1459 CD ARG A 99 7.717 13.086 -3.013 1.00 0.00 C ATOM 1460 NE ARG A 99 7.111 13.937 -1.980 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.249 14.933 -2.206 1.00 0.00 C ATOM 1462 NH1 ARG A 99 5.781 15.175 -3.429 1.00 0.00 N ATOM 1463 NH2 ARG A 99 5.875 15.711 -1.197 1.00 0.00 N ATOM 0 H ARG A 99 8.007 8.383 -5.408 1.00 0.00 H new ATOM 0 HA ARG A 99 7.709 9.085 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.543 10.692 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 99 8.230 11.381 -4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.207 11.273 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.875 11.769 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.619 13.563 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.029 12.986 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 99 7.369 13.752 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.080 14.595 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.124 15.940 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.245 15.545 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.218 16.474 -1.358 1.00 0.00 H new ATOM 1477 N VAL A 100 5.357 9.591 -3.319 1.00 0.00 N ATOM 1478 CA VAL A 100 3.969 10.027 -3.498 1.00 0.00 C ATOM 1479 C VAL A 100 3.881 11.507 -3.866 1.00 0.00 C ATOM 1480 O VAL A 100 4.719 12.333 -3.499 1.00 0.00 O ATOM 1481 CB VAL A 100 3.103 9.669 -2.251 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.856 9.948 -0.959 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.596 9.981 -2.367 1.00 0.00 C ATOM 0 H VAL A 100 5.521 9.215 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 100 3.554 9.478 -4.343 1.00 0.00 H new ATOM 0 HB VAL A 100 2.973 8.588 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.227 9.689 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.767 9.350 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.115 11.006 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.093 9.692 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.458 11.049 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.172 9.423 -3.202 1.00 0.00 H new ATOM 1493 N ARG A 101 2.787 11.849 -4.536 1.00 0.00 N ATOM 1494 CA ARG A 101 2.288 13.179 -4.806 1.00 0.00 C ATOM 1495 C ARG A 101 0.761 13.051 -4.759 1.00 0.00 C ATOM 1496 O ARG A 101 0.232 11.959 -4.978 1.00 0.00 O ATOM 1497 CB ARG A 101 2.855 13.553 -6.181 1.00 0.00 C ATOM 1498 CG ARG A 101 2.314 14.839 -6.812 1.00 0.00 C ATOM 1499 CD ARG A 101 1.770 14.529 -8.210 1.00 0.00 C ATOM 1500 NE ARG A 101 1.523 15.760 -8.956 1.00 0.00 N ATOM 1501 CZ ARG A 101 1.301 15.862 -10.267 1.00 0.00 C ATOM 1502 NH1 ARG A 101 1.419 14.801 -11.064 1.00 0.00 N ATOM 1503 NH2 ARG A 101 0.953 17.037 -10.773 1.00 0.00 N ATOM 0 H ARG A 101 2.178 11.135 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 101 2.578 13.962 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.937 13.645 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.661 12.728 -6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.526 15.260 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.104 15.587 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.482 13.907 -8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.846 13.957 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 101 1.520 16.628 -8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.682 13.896 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.246 14.893 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.858 17.848 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.780 17.130 -11.774 1.00 0.00 H new