USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.732 USER MOD Set 2.1: A 43 TYR OH : rot 7:sc= 0.124 USER MOD Set 2.2: A 78 TYR OH : rot -65:sc= 0.245 USER MOD Single : A 12 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.25) 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= -0.621 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 46 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.13) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.401) 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 K(o=0,f=-0.78) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= 0.85 F(o=-0.29,f=0.85) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -1:sc= 0.773 USER MOD Single : A 85 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 87 THR OG1 : rot -120:sc= -1.21 USER MOD Single : A 88 SER OG : rot 180:sc= -0.614 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 17.601 -5.935 1.212 1.00 0.00 N ATOM 81 CA VAL A 9 16.961 -4.757 1.785 1.00 0.00 C ATOM 82 C VAL A 9 15.973 -5.147 2.879 1.00 0.00 C ATOM 83 O VAL A 9 15.006 -5.867 2.629 1.00 0.00 O ATOM 84 CB VAL A 9 16.222 -3.940 0.709 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.680 -2.647 1.299 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.143 -3.654 -0.468 1.00 0.00 C ATOM 0 HA VAL A 9 17.753 -4.144 2.215 1.00 0.00 H new ATOM 0 HB VAL A 9 15.378 -4.527 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.161 -2.083 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.985 -2.879 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.505 -2.052 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.605 -3.076 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.008 -3.086 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.477 -4.595 -0.905 1.00 0.00 H new ATOM 96 N ARG A 10 16.223 -4.667 4.093 1.00 0.00 N ATOM 97 CA ARG A 10 15.356 -4.965 5.226 1.00 0.00 C ATOM 98 C ARG A 10 14.199 -3.974 5.301 1.00 0.00 C ATOM 99 O ARG A 10 14.237 -2.911 4.681 1.00 0.00 O ATOM 100 CB ARG A 10 16.156 -4.932 6.530 1.00 0.00 C ATOM 101 CG ARG A 10 17.215 -6.017 6.623 1.00 0.00 C ATOM 102 CD ARG A 10 16.618 -7.342 7.072 1.00 0.00 C ATOM 103 NE ARG A 10 17.590 -8.430 7.009 1.00 0.00 N ATOM 104 CZ ARG A 10 17.321 -9.678 7.376 1.00 0.00 C ATOM 105 NH1 ARG A 10 16.116 -9.994 7.830 1.00 0.00 N ATOM 106 NH2 ARG A 10 18.258 -10.613 7.289 1.00 0.00 N ATOM 0 H ARG A 10 17.019 -4.070 4.317 1.00 0.00 H new ATOM 0 HA ARG A 10 14.946 -5.965 5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.636 -3.958 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.469 -5.034 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.694 -6.143 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.991 -5.710 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.248 -7.245 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.761 -7.585 6.444 1.00 0.00 H new ATOM 0 HE ARG A 10 18.527 -8.220 6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.393 -9.278 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.912 -10.953 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.186 -10.374 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.050 -11.571 7.571 1.00 0.00 H new ATOM 120 N PHE A 11 13.170 -4.329 6.064 1.00 0.00 N ATOM 121 CA PHE A 11 12.001 -3.472 6.219 1.00 0.00 C ATOM 122 C PHE A 11 12.098 -2.646 7.498 1.00 0.00 C ATOM 123 O PHE A 11 11.613 -3.057 8.552 1.00 0.00 O ATOM 124 CB PHE A 11 10.723 -4.314 6.238 1.00 0.00 C ATOM 125 CG PHE A 11 10.127 -4.529 4.876 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.399 -3.525 4.258 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.294 -5.734 4.214 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.848 -3.720 3.006 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.746 -5.936 2.961 1.00 0.00 C ATOM 130 CZ PHE A 11 9.023 -4.927 2.356 1.00 0.00 C ATOM 0 H PHE A 11 13.122 -5.205 6.585 1.00 0.00 H new ATOM 0 HA PHE A 11 11.966 -2.791 5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.942 -5.283 6.687 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.986 -3.827 6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.261 -2.579 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.859 -6.526 4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.281 -2.930 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.883 -6.881 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.595 -5.081 1.376 1.00 0.00 H new ATOM 140 N GLN A 12 12.728 -1.480 7.396 1.00 0.00 N ATOM 141 CA GLN A 12 12.890 -0.597 8.545 1.00 0.00 C ATOM 142 C GLN A 12 11.535 -0.132 9.070 1.00 0.00 C ATOM 143 O GLN A 12 11.212 -0.331 10.240 1.00 0.00 O ATOM 144 CB GLN A 12 13.746 0.613 8.168 1.00 0.00 C ATOM 145 CG GLN A 12 14.040 1.539 9.337 1.00 0.00 C ATOM 146 CD GLN A 12 14.535 0.793 10.561 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.706 0.421 10.645 1.00 0.00 O ATOM 148 NE2 GLN A 12 13.642 0.569 11.519 1.00 0.00 N ATOM 0 H GLN A 12 13.134 -1.125 6.530 1.00 0.00 H new ATOM 0 HA GLN A 12 13.392 -1.157 9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.688 0.263 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.237 1.178 7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.788 2.272 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.137 2.092 9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.682 0.895 11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.917 0.071 12.366 1.00 0.00 H new ATOM 157 N GLU A 13 10.748 0.487 8.196 1.00 0.00 N ATOM 158 CA GLU A 13 9.428 0.980 8.573 1.00 0.00 C ATOM 159 C GLU A 13 8.361 0.469 7.610 1.00 0.00 C ATOM 160 O GLU A 13 7.769 1.241 6.856 1.00 0.00 O ATOM 161 CB GLU A 13 9.419 2.510 8.596 1.00 0.00 C ATOM 162 CG GLU A 13 10.227 3.106 9.737 1.00 0.00 C ATOM 163 CD GLU A 13 9.451 3.150 11.040 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.438 3.878 11.102 1.00 0.00 O ATOM 165 OE2 GLU A 13 9.857 2.458 11.996 1.00 0.00 O ATOM 0 H GLU A 13 11.001 0.659 7.223 1.00 0.00 H new ATOM 0 HA GLU A 13 9.200 0.607 9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.813 2.882 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.389 2.858 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.135 2.520 9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.537 4.116 9.469 1.00 0.00 H new ATOM 172 N ALA A 14 8.120 -0.838 7.641 1.00 0.00 N ATOM 173 CA ALA A 14 7.124 -1.452 6.773 1.00 0.00 C ATOM 174 C ALA A 14 5.745 -0.842 7.002 1.00 0.00 C ATOM 175 O ALA A 14 5.579 0.044 7.841 1.00 0.00 O ATOM 176 CB ALA A 14 7.082 -2.956 7.000 1.00 0.00 C ATOM 0 H ALA A 14 8.602 -1.492 8.258 1.00 0.00 H new ATOM 0 HA ALA A 14 7.411 -1.259 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.334 -3.402 6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.059 -3.385 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.823 -3.160 8.039 1.00 0.00 H new ATOM 182 N LEU A 15 4.760 -1.321 6.250 1.00 0.00 N ATOM 183 CA LEU A 15 3.394 -0.821 6.371 1.00 0.00 C ATOM 184 C LEU A 15 2.842 -1.079 7.769 1.00 0.00 C ATOM 185 O LEU A 15 3.444 -1.802 8.563 1.00 0.00 O ATOM 186 CB LEU A 15 2.495 -1.482 5.325 1.00 0.00 C ATOM 187 CG LEU A 15 2.863 -1.224 3.863 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.254 -2.288 2.963 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.407 0.164 3.436 1.00 0.00 C ATOM 0 H LEU A 15 4.881 -2.054 5.551 1.00 0.00 H new ATOM 0 HA LEU A 15 3.410 0.255 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.503 -2.558 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.472 -1.141 5.487 1.00 0.00 H new ATOM 0 HG LEU A 15 3.948 -1.274 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.527 -2.088 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.629 -3.269 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.169 -2.271 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.677 0.331 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.326 0.242 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.892 0.914 4.061 1.00 0.00 H new ATOM 201 N LYS A 16 1.691 -0.484 8.063 1.00 0.00 N ATOM 202 CA LYS A 16 1.053 -0.650 9.364 1.00 0.00 C ATOM 203 C LYS A 16 -0.459 -0.489 9.254 1.00 0.00 C ATOM 204 O LYS A 16 -0.949 0.424 8.589 1.00 0.00 O ATOM 205 CB LYS A 16 1.613 0.365 10.363 1.00 0.00 C ATOM 206 CG LYS A 16 2.931 -0.060 10.988 1.00 0.00 C ATOM 207 CD LYS A 16 3.300 0.825 12.166 1.00 0.00 C ATOM 208 CE LYS A 16 2.637 0.351 13.450 1.00 0.00 C ATOM 209 NZ LYS A 16 2.642 1.407 14.500 1.00 0.00 N ATOM 0 H LYS A 16 1.180 0.118 7.417 1.00 0.00 H new ATOM 0 HA LYS A 16 1.268 -1.658 9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.752 1.321 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.881 0.526 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.861 -1.096 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.721 -0.017 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.382 0.829 12.294 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.000 1.852 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.610 0.053 13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.156 -0.533 13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.181 1.045 15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.623 1.674 14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.125 2.241 14.156 1.00 0.00 H new ATOM 223 N ASP A 17 -1.194 -1.380 9.910 1.00 0.00 N ATOM 224 CA ASP A 17 -2.651 -1.335 9.887 1.00 0.00 C ATOM 225 C ASP A 17 -3.152 0.104 9.955 1.00 0.00 C ATOM 226 O ASP A 17 -2.847 0.835 10.899 1.00 0.00 O ATOM 227 CB ASP A 17 -3.226 -2.144 11.052 1.00 0.00 C ATOM 228 CG ASP A 17 -2.879 -1.544 12.400 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.674 -1.364 12.677 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.811 -1.254 13.178 1.00 0.00 O ATOM 0 H ASP A 17 -0.804 -2.142 10.464 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.988 -1.774 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.310 -2.201 10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.847 -3.165 11.004 1.00 0.00 H new ATOM 235 N LEU A 18 -3.920 0.506 8.949 1.00 0.00 N ATOM 236 CA LEU A 18 -4.462 1.859 8.894 1.00 0.00 C ATOM 237 C LEU A 18 -5.970 1.852 9.123 1.00 0.00 C ATOM 238 O LEU A 18 -6.615 0.807 9.037 1.00 0.00 O ATOM 239 CB LEU A 18 -4.143 2.503 7.543 1.00 0.00 C ATOM 240 CG LEU A 18 -2.693 2.391 7.072 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.482 1.102 6.293 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.313 3.597 6.225 1.00 0.00 C ATOM 0 H LEU A 18 -4.182 -0.085 8.160 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.996 2.443 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.785 2.051 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.406 3.559 7.595 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.047 2.370 7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.444 1.040 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.713 0.249 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.138 1.092 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.278 3.501 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.965 3.649 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.424 4.506 6.816 1.00 0.00 H new ATOM 254 N GLU A 19 -6.526 3.024 9.412 1.00 0.00 N ATOM 255 CA GLU A 19 -7.959 3.151 9.652 1.00 0.00 C ATOM 256 C GLU A 19 -8.528 4.361 8.916 1.00 0.00 C ATOM 257 O GLU A 19 -8.064 5.487 9.098 1.00 0.00 O ATOM 258 CB GLU A 19 -8.239 3.274 11.151 1.00 0.00 C ATOM 259 CG GLU A 19 -9.612 2.768 11.557 1.00 0.00 C ATOM 260 CD GLU A 19 -9.859 2.884 13.049 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.229 3.987 13.504 1.00 0.00 O ATOM 262 OE2 GLU A 19 -9.683 1.873 13.761 1.00 0.00 O ATOM 0 H GLU A 19 -6.007 3.899 9.486 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.446 2.253 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.479 2.718 11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.145 4.319 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.376 3.332 11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.715 1.726 11.255 1.00 0.00 H new ATOM 269 N VAL A 20 -9.536 4.120 8.084 1.00 0.00 N ATOM 270 CA VAL A 20 -10.170 5.188 7.321 1.00 0.00 C ATOM 271 C VAL A 20 -11.646 4.892 7.081 1.00 0.00 C ATOM 272 O VAL A 20 -12.057 3.732 7.027 1.00 0.00 O ATOM 273 CB VAL A 20 -9.473 5.398 5.963 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.680 6.822 5.470 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.991 5.072 6.070 1.00 0.00 C ATOM 0 H VAL A 20 -9.931 3.194 7.921 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.077 6.098 7.914 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.920 4.720 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.180 6.951 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.746 7.015 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.262 7.522 6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.514 5.226 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.528 5.724 6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.868 4.033 6.374 1.00 0.00 H new ATOM 285 N LEU A 21 -12.440 5.947 6.938 1.00 0.00 N ATOM 286 CA LEU A 21 -13.872 5.801 6.703 1.00 0.00 C ATOM 287 C LEU A 21 -14.192 5.887 5.214 1.00 0.00 C ATOM 288 O LEU A 21 -13.596 6.681 4.487 1.00 0.00 O ATOM 289 CB LEU A 21 -14.646 6.877 7.466 1.00 0.00 C ATOM 290 CG LEU A 21 -16.107 6.555 7.785 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.200 5.663 9.014 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.903 7.835 7.991 1.00 0.00 C ATOM 0 H LEU A 21 -12.116 6.913 6.981 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.176 4.818 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.126 7.075 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.617 7.798 6.884 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.534 6.018 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.246 5.444 9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.665 4.732 8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.756 6.173 9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.940 7.586 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.476 8.399 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.864 8.438 7.084 1.00 0.00 H new ATOM 304 N GLU A 22 -15.137 5.066 4.769 1.00 0.00 N ATOM 305 CA GLU A 22 -15.536 5.051 3.366 1.00 0.00 C ATOM 306 C GLU A 22 -15.961 6.443 2.907 1.00 0.00 C ATOM 307 O GLU A 22 -16.826 7.072 3.515 1.00 0.00 O ATOM 308 CB GLU A 22 -16.681 4.058 3.149 1.00 0.00 C ATOM 309 CG GLU A 22 -17.539 4.375 1.936 1.00 0.00 C ATOM 310 CD GLU A 22 -18.733 3.449 1.808 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.681 3.591 2.608 1.00 0.00 O ATOM 312 OE2 GLU A 22 -18.719 2.582 0.909 1.00 0.00 O ATOM 0 H GLU A 22 -15.640 4.403 5.358 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.676 4.738 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.266 3.056 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.313 4.045 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.888 5.405 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.929 4.302 1.035 1.00 0.00 H new ATOM 319 N GLY A 23 -15.346 6.917 1.828 1.00 0.00 N ATOM 320 CA GLY A 23 -15.672 8.231 1.305 1.00 0.00 C ATOM 321 C GLY A 23 -14.442 9.087 1.080 1.00 0.00 C ATOM 322 O GLY A 23 -14.540 10.309 0.971 1.00 0.00 O ATOM 0 H GLY A 23 -14.628 6.414 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.211 8.121 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.342 8.739 1.999 1.00 0.00 H new ATOM 326 N GLY A 24 -13.280 8.445 1.013 1.00 0.00 N ATOM 327 CA GLY A 24 -12.042 9.173 0.803 1.00 0.00 C ATOM 328 C GLY A 24 -10.977 8.324 0.136 1.00 0.00 C ATOM 329 O GLY A 24 -11.274 7.535 -0.760 1.00 0.00 O ATOM 0 H GLY A 24 -13.174 7.434 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.240 10.051 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.668 9.533 1.762 1.00 0.00 H new ATOM 333 N ALA A 25 -9.733 8.488 0.574 1.00 0.00 N ATOM 334 CA ALA A 25 -8.620 7.731 0.014 1.00 0.00 C ATOM 335 C ALA A 25 -7.681 7.242 1.112 1.00 0.00 C ATOM 336 O ALA A 25 -7.655 7.795 2.211 1.00 0.00 O ATOM 337 CB ALA A 25 -7.860 8.578 -0.995 1.00 0.00 C ATOM 0 H ALA A 25 -9.471 9.138 1.315 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.027 6.857 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.032 8.000 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.531 8.873 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.472 9.469 -0.503 1.00 0.00 H new ATOM 343 N ALA A 26 -6.912 6.202 0.807 1.00 0.00 N ATOM 344 CA ALA A 26 -5.971 5.640 1.767 1.00 0.00 C ATOM 345 C ALA A 26 -4.536 5.767 1.268 1.00 0.00 C ATOM 346 O ALA A 26 -4.191 5.262 0.199 1.00 0.00 O ATOM 347 CB ALA A 26 -6.308 4.182 2.046 1.00 0.00 C ATOM 0 H ALA A 26 -6.923 5.732 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.057 6.205 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.597 3.775 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.316 4.113 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.253 3.612 1.119 1.00 0.00 H new ATOM 353 N THR A 27 -3.701 6.446 2.049 1.00 0.00 N ATOM 354 CA THR A 27 -2.303 6.641 1.686 1.00 0.00 C ATOM 355 C THR A 27 -1.395 5.694 2.462 1.00 0.00 C ATOM 356 O THR A 27 -1.240 5.823 3.677 1.00 0.00 O ATOM 357 CB THR A 27 -1.853 8.092 1.944 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.826 9.006 1.426 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.502 8.362 1.299 1.00 0.00 C ATOM 0 H THR A 27 -3.969 6.870 2.937 1.00 0.00 H new ATOM 0 HA THR A 27 -2.221 6.426 0.621 1.00 0.00 H new ATOM 0 HB THR A 27 -1.759 8.234 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.534 9.926 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.205 9.392 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.243 7.684 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.574 8.203 0.223 1.00 0.00 H new ATOM 367 N LEU A 28 -0.797 4.743 1.754 1.00 0.00 N ATOM 368 CA LEU A 28 0.097 3.773 2.377 1.00 0.00 C ATOM 369 C LEU A 28 1.557 4.148 2.141 1.00 0.00 C ATOM 370 O LEU A 28 2.024 4.179 1.002 1.00 0.00 O ATOM 371 CB LEU A 28 -0.176 2.372 1.828 1.00 0.00 C ATOM 372 CG LEU A 28 -1.498 1.731 2.253 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.604 2.086 1.272 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.346 0.221 2.365 1.00 0.00 C ATOM 0 H LEU A 28 -0.915 4.622 0.748 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.092 3.779 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.151 2.419 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.638 1.717 2.137 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.771 2.123 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.537 1.621 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.730 3.168 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.339 1.724 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.296 -0.219 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.049 -0.187 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.584 -0.014 3.108 1.00 0.00 H new ATOM 386 N ARG A 29 2.273 4.430 3.224 1.00 0.00 N ATOM 387 CA ARG A 29 3.680 4.801 3.135 1.00 0.00 C ATOM 388 C ARG A 29 4.566 3.733 3.770 1.00 0.00 C ATOM 389 O ARG A 29 4.118 2.969 4.626 1.00 0.00 O ATOM 390 CB ARG A 29 3.918 6.148 3.819 1.00 0.00 C ATOM 391 CG ARG A 29 3.736 7.341 2.895 1.00 0.00 C ATOM 392 CD ARG A 29 4.030 8.651 3.611 1.00 0.00 C ATOM 393 NE ARG A 29 2.938 9.047 4.496 1.00 0.00 N ATOM 394 CZ ARG A 29 2.833 10.257 5.036 1.00 0.00 C ATOM 395 NH1 ARG A 29 3.747 11.182 4.782 1.00 0.00 N ATOM 396 NH2 ARG A 29 1.810 10.542 5.831 1.00 0.00 N ATOM 0 H ARG A 29 1.902 4.409 4.174 1.00 0.00 H new ATOM 0 HA ARG A 29 3.941 4.885 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.233 6.244 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.929 6.166 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.397 7.240 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.715 7.355 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.948 8.550 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.203 9.436 2.875 1.00 0.00 H new ATOM 0 HE ARG A 29 2.217 8.358 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.534 10.967 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.663 12.110 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.104 9.833 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.729 11.471 6.245 1.00 0.00 H new ATOM 410 N CYS A 30 5.823 3.684 3.343 1.00 0.00 N ATOM 411 CA CYS A 30 6.771 2.709 3.868 1.00 0.00 C ATOM 412 C CYS A 30 8.200 3.077 3.483 1.00 0.00 C ATOM 413 O CYS A 30 8.466 3.470 2.347 1.00 0.00 O ATOM 414 CB CYS A 30 6.435 1.310 3.350 1.00 0.00 C ATOM 415 SG CYS A 30 6.141 1.233 1.568 1.00 0.00 S ATOM 0 H CYS A 30 6.209 4.308 2.635 1.00 0.00 H new ATOM 0 HA CYS A 30 6.694 2.714 4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.253 0.635 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.549 0.945 3.870 1.00 0.00 H new ATOM 0 HG CYS A 30 5.867 0.009 1.226 1.00 0.00 H new ATOM 421 N VAL A 31 9.117 2.950 4.437 1.00 0.00 N ATOM 422 CA VAL A 31 10.519 3.271 4.198 1.00 0.00 C ATOM 423 C VAL A 31 11.384 2.016 4.238 1.00 0.00 C ATOM 424 O VAL A 31 11.206 1.154 5.100 1.00 0.00 O ATOM 425 CB VAL A 31 11.049 4.280 5.234 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.540 4.509 5.042 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.283 5.591 5.141 1.00 0.00 C ATOM 0 H VAL A 31 8.914 2.627 5.383 1.00 0.00 H new ATOM 0 HA VAL A 31 10.577 3.718 3.205 1.00 0.00 H new ATOM 0 HB VAL A 31 10.895 3.866 6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.897 5.225 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.072 3.565 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.722 4.901 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.671 6.292 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.403 6.013 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.226 5.409 5.333 1.00 0.00 H new ATOM 437 N LEU A 32 12.321 1.920 3.302 1.00 0.00 N ATOM 438 CA LEU A 32 13.215 0.770 3.230 1.00 0.00 C ATOM 439 C LEU A 32 14.570 1.094 3.852 1.00 0.00 C ATOM 440 O LEU A 32 14.870 2.252 4.143 1.00 0.00 O ATOM 441 CB LEU A 32 13.401 0.333 1.775 1.00 0.00 C ATOM 442 CG LEU A 32 12.123 -0.009 1.009 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.401 -0.090 -0.484 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.532 -1.317 1.515 1.00 0.00 C ATOM 0 H LEU A 32 12.482 2.625 2.582 1.00 0.00 H new ATOM 0 HA LEU A 32 12.762 -0.046 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.919 1.129 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.055 -0.539 1.759 1.00 0.00 H new ATOM 0 HG LEU A 32 11.396 0.785 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.480 -0.334 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.778 0.870 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.145 -0.864 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.623 -1.545 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.254 -2.121 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.295 -1.223 2.575 1.00 0.00 H new ATOM 456 N SER A 33 15.385 0.063 4.052 1.00 0.00 N ATOM 457 CA SER A 33 16.707 0.238 4.642 1.00 0.00 C ATOM 458 C SER A 33 17.590 1.105 3.749 1.00 0.00 C ATOM 459 O SER A 33 18.510 1.770 4.225 1.00 0.00 O ATOM 460 CB SER A 33 17.371 -1.122 4.869 1.00 0.00 C ATOM 461 OG SER A 33 18.588 -0.983 5.582 1.00 0.00 O ATOM 0 H SER A 33 15.153 -0.901 3.814 1.00 0.00 H new ATOM 0 HA SER A 33 16.586 0.740 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.694 -1.773 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.561 -1.602 3.909 1.00 0.00 H new ATOM 0 HG SER A 33 18.992 -1.866 5.715 1.00 0.00 H new ATOM 467 N SER A 34 17.302 1.092 2.451 1.00 0.00 N ATOM 468 CA SER A 34 18.071 1.873 1.490 1.00 0.00 C ATOM 469 C SER A 34 17.249 2.153 0.235 1.00 0.00 C ATOM 470 O SER A 34 16.080 1.775 0.148 1.00 0.00 O ATOM 471 CB SER A 34 19.359 1.137 1.116 1.00 0.00 C ATOM 472 OG SER A 34 19.122 0.180 0.098 1.00 0.00 O ATOM 0 H SER A 34 16.542 0.549 2.041 1.00 0.00 H new ATOM 0 HA SER A 34 18.327 2.825 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 34 20.107 1.855 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.768 0.642 1.997 1.00 0.00 H new ATOM 0 HG SER A 34 19.961 -0.276 -0.124 1.00 0.00 H new ATOM 478 N VAL A 35 17.868 2.817 -0.735 1.00 0.00 N ATOM 479 CA VAL A 35 17.196 3.147 -1.986 1.00 0.00 C ATOM 480 C VAL A 35 17.249 1.979 -2.963 1.00 0.00 C ATOM 481 O VAL A 35 18.196 1.847 -3.738 1.00 0.00 O ATOM 482 CB VAL A 35 17.824 4.387 -2.650 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.041 4.780 -3.894 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.889 5.544 -1.664 1.00 0.00 C ATOM 0 H VAL A 35 18.835 3.137 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 35 16.156 3.363 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 35 18.842 4.140 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.499 5.658 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.051 3.955 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.012 5.010 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.335 6.412 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.882 5.794 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.496 5.257 -0.805 1.00 0.00 H new ATOM 494 N ALA A 36 16.225 1.132 -2.921 1.00 0.00 N ATOM 495 CA ALA A 36 16.154 -0.025 -3.805 1.00 0.00 C ATOM 496 C ALA A 36 14.943 0.064 -4.728 1.00 0.00 C ATOM 497 O ALA A 36 13.876 0.525 -4.325 1.00 0.00 O ATOM 498 CB ALA A 36 16.107 -1.309 -2.990 1.00 0.00 C ATOM 0 H ALA A 36 15.434 1.226 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 36 17.050 -0.034 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.054 -2.165 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.005 -1.384 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.228 -1.299 -2.346 1.00 0.00 H new ATOM 504 N ALA A 37 15.117 -0.381 -5.968 1.00 0.00 N ATOM 505 CA ALA A 37 14.038 -0.353 -6.948 1.00 0.00 C ATOM 506 C ALA A 37 14.450 -1.054 -8.238 1.00 0.00 C ATOM 507 O ALA A 37 15.623 -1.348 -8.466 1.00 0.00 O ATOM 508 CB ALA A 37 13.622 1.082 -7.234 1.00 0.00 C ATOM 0 H ALA A 37 15.995 -0.765 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 37 13.186 -0.890 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.816 1.088 -7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.278 1.552 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.474 1.636 -7.627 1.00 0.00 H new ATOM 514 N PRO A 38 13.463 -1.329 -9.104 1.00 0.00 N ATOM 515 CA PRO A 38 12.062 -0.985 -8.843 1.00 0.00 C ATOM 516 C PRO A 38 11.454 -1.831 -7.729 1.00 0.00 C ATOM 517 O PRO A 38 12.101 -2.734 -7.199 1.00 0.00 O ATOM 518 CB PRO A 38 11.370 -1.279 -10.176 1.00 0.00 C ATOM 519 CG PRO A 38 12.229 -2.305 -10.831 1.00 0.00 C ATOM 520 CD PRO A 38 13.638 -1.999 -10.403 1.00 0.00 C ATOM 0 HA PRO A 38 11.952 0.046 -8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.357 -1.651 -10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.291 -0.380 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.938 -3.310 -10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.132 -2.260 -11.916 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.235 -2.906 -10.310 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.145 -1.355 -11.122 1.00 0.00 H new ATOM 528 N VAL A 39 10.207 -1.533 -7.380 1.00 0.00 N ATOM 529 CA VAL A 39 9.511 -2.268 -6.330 1.00 0.00 C ATOM 530 C VAL A 39 8.315 -3.028 -6.892 1.00 0.00 C ATOM 531 O VAL A 39 7.786 -2.682 -7.948 1.00 0.00 O ATOM 532 CB VAL A 39 9.028 -1.326 -5.211 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.132 -0.236 -5.780 1.00 0.00 C ATOM 534 CG2 VAL A 39 8.303 -2.112 -4.129 1.00 0.00 C ATOM 0 H VAL A 39 9.658 -0.788 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 39 10.225 -2.978 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 39 9.899 -0.849 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.801 0.420 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.688 0.345 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.264 -0.691 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.969 -1.431 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.440 -2.618 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.980 -2.852 -3.701 1.00 0.00 H new ATOM 544 N LYS A 40 7.892 -4.065 -6.177 1.00 0.00 N ATOM 545 CA LYS A 40 6.756 -4.875 -6.602 1.00 0.00 C ATOM 546 C LYS A 40 5.612 -4.777 -5.597 1.00 0.00 C ATOM 547 O LYS A 40 5.760 -5.159 -4.437 1.00 0.00 O ATOM 548 CB LYS A 40 7.179 -6.336 -6.769 1.00 0.00 C ATOM 549 CG LYS A 40 6.252 -7.139 -7.666 1.00 0.00 C ATOM 550 CD LYS A 40 6.644 -7.011 -9.129 1.00 0.00 C ATOM 551 CE LYS A 40 6.235 -5.663 -9.700 1.00 0.00 C ATOM 552 NZ LYS A 40 6.091 -5.708 -11.181 1.00 0.00 N ATOM 0 H LYS A 40 8.319 -4.365 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 40 6.407 -4.493 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.188 -6.369 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.220 -6.808 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.278 -8.188 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.226 -6.796 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.722 -7.138 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.173 -7.809 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.291 -5.351 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.979 -4.914 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.811 -4.770 -11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.998 -5.981 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.363 -6.405 -11.438 1.00 0.00 H new ATOM 566 N TRP A 41 4.474 -4.265 -6.052 1.00 0.00 N ATOM 567 CA TRP A 41 3.305 -4.120 -5.192 1.00 0.00 C ATOM 568 C TRP A 41 2.265 -5.191 -5.502 1.00 0.00 C ATOM 569 O TRP A 41 1.650 -5.181 -6.569 1.00 0.00 O ATOM 570 CB TRP A 41 2.690 -2.730 -5.364 1.00 0.00 C ATOM 571 CG TRP A 41 3.380 -1.671 -4.557 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.591 -1.097 -4.823 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.901 -1.063 -3.353 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.893 -0.169 -3.856 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.872 -0.128 -2.943 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.746 -1.216 -2.581 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.721 0.647 -1.797 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.598 -0.446 -1.444 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.580 0.477 -1.061 1.00 0.00 C ATOM 0 H TRP A 41 4.336 -3.944 -7.010 1.00 0.00 H new ATOM 0 HA TRP A 41 3.628 -4.242 -4.158 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.724 -2.453 -6.418 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.639 -2.768 -5.078 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.218 -1.337 -5.669 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.740 0.398 -3.823 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.983 -1.924 -2.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.478 1.358 -1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.710 -0.557 -0.840 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.434 1.066 -0.168 1.00 0.00 H new ATOM 590 N CYS A 42 2.073 -6.111 -4.564 1.00 0.00 N ATOM 591 CA CYS A 42 1.107 -7.190 -4.737 1.00 0.00 C ATOM 592 C CYS A 42 -0.087 -7.007 -3.805 1.00 0.00 C ATOM 593 O CYS A 42 0.075 -6.672 -2.631 1.00 0.00 O ATOM 594 CB CYS A 42 1.769 -8.543 -4.477 1.00 0.00 C ATOM 595 SG CYS A 42 1.033 -9.915 -5.396 1.00 0.00 S ATOM 0 H CYS A 42 2.573 -6.132 -3.675 1.00 0.00 H new ATOM 0 HA CYS A 42 0.749 -7.161 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.826 -8.473 -4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.714 -8.763 -3.411 1.00 0.00 H new ATOM 0 HG CYS A 42 1.663 -11.016 -5.111 1.00 0.00 H new ATOM 601 N TYR A 43 -1.284 -7.226 -4.336 1.00 0.00 N ATOM 602 CA TYR A 43 -2.506 -7.081 -3.552 1.00 0.00 C ATOM 603 C TYR A 43 -3.597 -8.014 -4.067 1.00 0.00 C ATOM 604 O TYR A 43 -4.082 -7.862 -5.188 1.00 0.00 O ATOM 605 CB TYR A 43 -2.995 -5.632 -3.596 1.00 0.00 C ATOM 606 CG TYR A 43 -4.474 -5.484 -3.317 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.964 -5.532 -2.018 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.380 -5.295 -4.353 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.314 -5.398 -1.758 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.732 -5.158 -4.102 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.194 -5.211 -2.804 1.00 0.00 C ATOM 612 OH TYR A 43 -8.540 -5.075 -2.550 1.00 0.00 O ATOM 0 H TYR A 43 -1.435 -7.504 -5.306 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.281 -7.350 -2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.436 -5.046 -2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.775 -5.213 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.277 -5.677 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.022 -5.254 -5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.678 -5.439 -0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.423 -5.010 -4.918 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.687 -5.023 -1.582 1.00 0.00 H new ATOM 622 N GLY A 44 -3.980 -8.980 -3.239 1.00 0.00 N ATOM 623 CA GLY A 44 -5.012 -9.924 -3.626 1.00 0.00 C ATOM 624 C GLY A 44 -4.556 -10.864 -4.724 1.00 0.00 C ATOM 625 O GLY A 44 -3.560 -11.571 -4.571 1.00 0.00 O ATOM 0 H GLY A 44 -3.594 -9.126 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.312 -10.506 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.893 -9.377 -3.963 1.00 0.00 H new ATOM 629 N ASN A 45 -5.286 -10.874 -5.834 1.00 0.00 N ATOM 630 CA ASN A 45 -4.952 -11.736 -6.962 1.00 0.00 C ATOM 631 C ASN A 45 -4.643 -10.910 -8.206 1.00 0.00 C ATOM 632 O ASN A 45 -5.187 -11.160 -9.281 1.00 0.00 O ATOM 633 CB ASN A 45 -6.102 -12.703 -7.250 1.00 0.00 C ATOM 634 CG ASN A 45 -5.980 -13.997 -6.469 1.00 0.00 C ATOM 635 OD1 ASN A 45 -5.000 -14.729 -6.609 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.977 -14.284 -5.640 1.00 0.00 N ATOM 0 H ASN A 45 -6.113 -10.295 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.063 -12.308 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.048 -12.221 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.126 -12.927 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.950 -15.141 -5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.770 -13.648 -5.556 1.00 0.00 H new ATOM 643 N ASN A 46 -3.766 -9.923 -8.052 1.00 0.00 N ATOM 644 CA ASN A 46 -3.385 -9.059 -9.164 1.00 0.00 C ATOM 645 C ASN A 46 -2.221 -8.152 -8.773 1.00 0.00 C ATOM 646 O ASN A 46 -1.957 -7.937 -7.590 1.00 0.00 O ATOM 647 CB ASN A 46 -4.578 -8.212 -9.611 1.00 0.00 C ATOM 648 CG ASN A 46 -4.407 -7.669 -11.017 1.00 0.00 C ATOM 649 OD1 ASN A 46 -4.259 -6.463 -11.215 1.00 0.00 O ATOM 650 ND2 ASN A 46 -4.427 -8.560 -12.001 1.00 0.00 N ATOM 0 H ASN A 46 -3.306 -9.702 -7.169 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.067 -9.693 -9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.485 -8.814 -9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.711 -7.382 -8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.317 -8.254 -12.968 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.552 -9.550 -11.790 1.00 0.00 H new ATOM 657 N VAL A 47 -1.528 -7.623 -9.777 1.00 0.00 N ATOM 658 CA VAL A 47 -0.394 -6.738 -9.539 1.00 0.00 C ATOM 659 C VAL A 47 -0.797 -5.275 -9.687 1.00 0.00 C ATOM 660 O VAL A 47 -1.234 -4.845 -10.755 1.00 0.00 O ATOM 661 CB VAL A 47 0.765 -7.040 -10.507 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.866 -6.000 -10.363 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.308 -8.440 -10.268 1.00 0.00 C ATOM 0 H VAL A 47 -1.732 -7.792 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.061 -6.918 -8.517 1.00 0.00 H new ATOM 0 HB VAL A 47 0.385 -6.992 -11.527 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.676 -6.230 -11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.465 -5.012 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.247 -6.012 -9.342 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.126 -8.636 -10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.673 -8.519 -9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.515 -9.170 -10.428 1.00 0.00 H new ATOM 673 N LEU A 48 -0.648 -4.515 -8.608 1.00 0.00 N ATOM 674 CA LEU A 48 -0.997 -3.098 -8.617 1.00 0.00 C ATOM 675 C LEU A 48 -0.107 -2.325 -9.585 1.00 0.00 C ATOM 676 O LEU A 48 1.116 -2.457 -9.560 1.00 0.00 O ATOM 677 CB LEU A 48 -0.869 -2.512 -7.210 1.00 0.00 C ATOM 678 CG LEU A 48 -1.542 -3.305 -6.089 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.347 -2.609 -4.751 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.023 -3.494 -6.384 1.00 0.00 C ATOM 0 H LEU A 48 -0.288 -4.855 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.031 -3.006 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.191 -2.415 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.287 -1.506 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.075 -4.288 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.833 -3.188 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.282 -2.527 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.787 -1.612 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.486 -4.060 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.505 -2.520 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.141 -4.037 -7.321 1.00 0.00 H new ATOM 692 N ARG A 49 -0.730 -1.515 -10.435 1.00 0.00 N ATOM 693 CA ARG A 49 0.005 -0.720 -11.411 1.00 0.00 C ATOM 694 C ARG A 49 -0.453 0.736 -11.381 1.00 0.00 C ATOM 695 O ARG A 49 -1.596 1.046 -11.044 1.00 0.00 O ATOM 696 CB ARG A 49 -0.182 -1.296 -12.816 1.00 0.00 C ATOM 697 CG ARG A 49 0.305 -2.729 -12.956 1.00 0.00 C ATOM 698 CD ARG A 49 -0.282 -3.398 -14.189 1.00 0.00 C ATOM 699 NE ARG A 49 0.416 -4.638 -14.522 1.00 0.00 N ATOM 700 CZ ARG A 49 0.350 -5.219 -15.715 1.00 0.00 C ATOM 701 NH1 ARG A 49 -0.377 -4.677 -16.682 1.00 0.00 N ATOM 702 NH2 ARG A 49 1.013 -6.346 -15.942 1.00 0.00 N ATOM 0 H ARG A 49 -1.742 -1.392 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 49 1.063 -0.756 -11.149 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.239 -1.253 -13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.351 -0.669 -13.531 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.393 -2.740 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.030 -3.297 -12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.337 -3.610 -14.019 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.227 -2.712 -15.035 1.00 0.00 H new ATOM 0 HE ARG A 49 0.984 -5.081 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.888 -3.811 -16.511 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.425 -5.126 -17.597 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.573 -6.766 -15.201 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.962 -6.792 -16.858 1.00 0.00 H new ATOM 716 N PRO A 50 0.459 1.651 -11.742 1.00 0.00 N ATOM 717 CA PRO A 50 0.172 3.088 -11.765 1.00 0.00 C ATOM 718 C PRO A 50 -0.795 3.468 -12.881 1.00 0.00 C ATOM 719 O PRO A 50 -0.684 2.979 -14.005 1.00 0.00 O ATOM 720 CB PRO A 50 1.544 3.720 -12.008 1.00 0.00 C ATOM 721 CG PRO A 50 2.330 2.664 -12.705 1.00 0.00 C ATOM 722 CD PRO A 50 1.840 1.353 -12.155 1.00 0.00 C ATOM 0 HA PRO A 50 -0.309 3.422 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.463 4.620 -12.617 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.017 4.012 -11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.181 2.715 -13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.398 2.789 -12.524 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.873 0.564 -12.907 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.447 1.018 -11.314 1.00 0.00 H new ATOM 730 N GLY A 51 -1.743 4.345 -12.564 1.00 0.00 N ATOM 731 CA GLY A 51 -2.715 4.776 -13.552 1.00 0.00 C ATOM 732 C GLY A 51 -3.639 5.855 -13.024 1.00 0.00 C ATOM 733 O GLY A 51 -3.217 6.990 -12.803 1.00 0.00 O ATOM 0 H GLY A 51 -1.855 4.764 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.192 5.149 -14.433 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.308 3.919 -13.872 1.00 0.00 H new ATOM 737 N ASP A 52 -4.904 5.502 -12.822 1.00 0.00 N ATOM 738 CA ASP A 52 -5.891 6.449 -12.317 1.00 0.00 C ATOM 739 C ASP A 52 -6.347 6.062 -10.914 1.00 0.00 C ATOM 740 O ASP A 52 -6.403 6.901 -10.014 1.00 0.00 O ATOM 741 CB ASP A 52 -7.095 6.515 -13.258 1.00 0.00 C ATOM 742 CG ASP A 52 -6.692 6.775 -14.697 1.00 0.00 C ATOM 743 OD1 ASP A 52 -6.338 7.930 -15.014 1.00 0.00 O ATOM 744 OD2 ASP A 52 -6.731 5.824 -15.505 1.00 0.00 O ATOM 0 H ASP A 52 -5.270 4.567 -13.000 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.423 7.432 -12.269 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.648 5.577 -13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.770 7.303 -12.925 1.00 0.00 H new ATOM 749 N LYS A 53 -6.674 4.787 -10.734 1.00 0.00 N ATOM 750 CA LYS A 53 -7.126 4.287 -9.441 1.00 0.00 C ATOM 751 C LYS A 53 -5.967 4.212 -8.452 1.00 0.00 C ATOM 752 O LYS A 53 -6.089 4.640 -7.304 1.00 0.00 O ATOM 753 CB LYS A 53 -7.766 2.906 -9.600 1.00 0.00 C ATOM 754 CG LYS A 53 -8.156 2.261 -8.282 1.00 0.00 C ATOM 755 CD LYS A 53 -9.565 2.649 -7.867 1.00 0.00 C ATOM 756 CE LYS A 53 -10.084 1.755 -6.751 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.572 1.704 -6.727 1.00 0.00 N ATOM 0 H LYS A 53 -6.634 4.080 -11.468 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.870 4.982 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.653 2.996 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.070 2.251 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.088 1.177 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.452 2.561 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.575 3.688 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.230 2.582 -8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.688 0.748 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.718 2.122 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.894 1.401 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.955 2.648 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.908 1.028 -7.442 1.00 0.00 H new ATOM 771 N TYR A 54 -4.844 3.666 -8.905 1.00 0.00 N ATOM 772 CA TYR A 54 -3.663 3.533 -8.060 1.00 0.00 C ATOM 773 C TYR A 54 -2.539 4.442 -8.547 1.00 0.00 C ATOM 774 O TYR A 54 -2.553 4.909 -9.686 1.00 0.00 O ATOM 775 CB TYR A 54 -3.187 2.080 -8.037 1.00 0.00 C ATOM 776 CG TYR A 54 -4.125 1.146 -7.307 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.470 1.374 -5.981 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.665 0.035 -7.943 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.327 0.523 -5.309 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.523 -0.820 -7.280 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.851 -0.572 -5.963 1.00 0.00 C ATOM 782 OH TYR A 54 -6.705 -1.423 -5.299 1.00 0.00 O ATOM 0 H TYR A 54 -4.727 3.308 -9.853 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.936 3.834 -7.049 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.065 1.730 -9.062 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.205 2.036 -7.566 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.062 2.231 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.409 -0.163 -8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.585 0.715 -4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.935 -1.678 -7.790 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.985 -2.143 -5.903 1.00 0.00 H new ATOM 792 N SER A 55 -1.565 4.687 -7.677 1.00 0.00 N ATOM 793 CA SER A 55 -0.434 5.542 -8.016 1.00 0.00 C ATOM 794 C SER A 55 0.836 5.066 -7.317 1.00 0.00 C ATOM 795 O SER A 55 0.876 4.945 -6.091 1.00 0.00 O ATOM 796 CB SER A 55 -0.729 6.992 -7.629 1.00 0.00 C ATOM 797 OG SER A 55 -0.033 7.896 -8.470 1.00 0.00 O ATOM 0 H SER A 55 -1.536 4.305 -6.732 1.00 0.00 H new ATOM 0 HA SER A 55 -0.278 5.485 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.801 7.179 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.441 7.161 -6.591 1.00 0.00 H new ATOM 0 HG SER A 55 -0.240 8.816 -8.203 1.00 0.00 H new ATOM 803 N LEU A 56 1.871 4.796 -8.104 1.00 0.00 N ATOM 804 CA LEU A 56 3.144 4.332 -7.561 1.00 0.00 C ATOM 805 C LEU A 56 4.215 5.411 -7.690 1.00 0.00 C ATOM 806 O LEU A 56 4.623 5.766 -8.796 1.00 0.00 O ATOM 807 CB LEU A 56 3.595 3.061 -8.282 1.00 0.00 C ATOM 808 CG LEU A 56 2.935 1.760 -7.824 1.00 0.00 C ATOM 809 CD1 LEU A 56 3.123 1.564 -6.327 1.00 0.00 C ATOM 810 CD2 LEU A 56 1.457 1.756 -8.183 1.00 0.00 C ATOM 0 H LEU A 56 1.855 4.890 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 56 3.002 4.111 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.406 3.185 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.673 2.961 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 56 3.416 0.930 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.647 0.633 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.187 1.520 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.670 2.398 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.004 0.822 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.962 2.595 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.345 1.848 -9.263 1.00 0.00 H new ATOM 822 N ARG A 57 4.669 5.926 -6.551 1.00 0.00 N ATOM 823 CA ARG A 57 5.694 6.962 -6.537 1.00 0.00 C ATOM 824 C ARG A 57 6.795 6.624 -5.536 1.00 0.00 C ATOM 825 O ARG A 57 6.526 6.089 -4.461 1.00 0.00 O ATOM 826 CB ARG A 57 5.074 8.317 -6.190 1.00 0.00 C ATOM 827 CG ARG A 57 6.088 9.446 -6.099 1.00 0.00 C ATOM 828 CD ARG A 57 6.328 10.089 -7.456 1.00 0.00 C ATOM 829 NE ARG A 57 5.130 10.746 -7.970 1.00 0.00 N ATOM 830 CZ ARG A 57 5.032 11.238 -9.200 1.00 0.00 C ATOM 831 NH1 ARG A 57 6.056 11.149 -10.037 1.00 0.00 N ATOM 832 NH2 ARG A 57 3.907 11.822 -9.595 1.00 0.00 N ATOM 0 H ARG A 57 4.343 5.642 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 57 6.135 7.015 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.329 8.570 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.549 8.234 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.733 10.199 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.029 9.061 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.134 10.818 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.657 9.329 -8.164 1.00 0.00 H new ATOM 0 HE ARG A 57 4.324 10.832 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.922 10.702 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.978 11.528 -10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.117 11.893 -8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.833 12.199 -10.540 1.00 0.00 H new ATOM 846 N GLN A 58 8.034 6.939 -5.898 1.00 0.00 N ATOM 847 CA GLN A 58 9.175 6.667 -5.033 1.00 0.00 C ATOM 848 C GLN A 58 9.878 7.961 -4.636 1.00 0.00 C ATOM 849 O GLN A 58 10.064 8.855 -5.461 1.00 0.00 O ATOM 850 CB GLN A 58 10.162 5.731 -5.733 1.00 0.00 C ATOM 851 CG GLN A 58 11.559 5.763 -5.136 1.00 0.00 C ATOM 852 CD GLN A 58 12.389 4.555 -5.526 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.553 4.256 -6.709 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.917 3.854 -4.530 1.00 0.00 N ATOM 0 H GLN A 58 8.273 7.383 -6.785 1.00 0.00 H new ATOM 0 HA GLN A 58 8.805 6.183 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.779 4.712 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.220 6.001 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.069 6.670 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.485 5.812 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.755 4.139 -3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.485 3.031 -4.731 1.00 0.00 H new ATOM 863 N GLU A 59 10.265 8.053 -3.367 1.00 0.00 N ATOM 864 CA GLU A 59 10.947 9.239 -2.862 1.00 0.00 C ATOM 865 C GLU A 59 12.168 8.853 -2.032 1.00 0.00 C ATOM 866 O GLU A 59 12.090 8.736 -0.810 1.00 0.00 O ATOM 867 CB GLU A 59 9.990 10.084 -2.018 1.00 0.00 C ATOM 868 CG GLU A 59 10.363 11.556 -1.964 1.00 0.00 C ATOM 869 CD GLU A 59 11.699 11.794 -1.289 1.00 0.00 C ATOM 870 OE1 GLU A 59 11.843 11.413 -0.108 1.00 0.00 O ATOM 871 OE2 GLU A 59 12.601 12.362 -1.940 1.00 0.00 O ATOM 0 H GLU A 59 10.118 7.322 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 59 11.281 9.826 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.982 9.988 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.966 9.686 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.396 11.956 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.587 12.104 -1.430 1.00 0.00 H new ATOM 878 N GLY A 60 13.296 8.655 -2.707 1.00 0.00 N ATOM 879 CA GLY A 60 14.518 8.284 -2.017 1.00 0.00 C ATOM 880 C GLY A 60 14.288 7.215 -0.967 1.00 0.00 C ATOM 881 O GLY A 60 14.215 7.513 0.225 1.00 0.00 O ATOM 0 H GLY A 60 13.386 8.745 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.247 7.925 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.947 9.167 -1.544 1.00 0.00 H new ATOM 885 N ALA A 61 14.173 5.967 -1.409 1.00 0.00 N ATOM 886 CA ALA A 61 13.951 4.851 -0.498 1.00 0.00 C ATOM 887 C ALA A 61 12.625 5.001 0.240 1.00 0.00 C ATOM 888 O ALA A 61 12.563 4.856 1.460 1.00 0.00 O ATOM 889 CB ALA A 61 15.100 4.743 0.494 1.00 0.00 C ATOM 0 H ALA A 61 14.230 5.703 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 61 13.907 3.935 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.921 3.905 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.033 4.581 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.170 5.665 1.071 1.00 0.00 H new ATOM 895 N MET A 62 11.566 5.293 -0.508 1.00 0.00 N ATOM 896 CA MET A 62 10.241 5.462 0.076 1.00 0.00 C ATOM 897 C MET A 62 9.154 5.270 -0.977 1.00 0.00 C ATOM 898 O MET A 62 9.095 6.005 -1.964 1.00 0.00 O ATOM 899 CB MET A 62 10.113 6.848 0.712 1.00 0.00 C ATOM 900 CG MET A 62 8.860 7.016 1.556 1.00 0.00 C ATOM 901 SD MET A 62 7.427 7.514 0.581 1.00 0.00 S ATOM 902 CE MET A 62 7.274 9.233 1.060 1.00 0.00 C ATOM 0 H MET A 62 11.600 5.417 -1.520 1.00 0.00 H new ATOM 0 HA MET A 62 10.112 4.703 0.848 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.988 7.035 1.334 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.114 7.602 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.640 6.077 2.064 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.045 7.761 2.330 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.428 9.682 0.539 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.113 9.298 2.136 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.187 9.767 0.797 1.00 0.00 H new ATOM 912 N LEU A 63 8.296 4.279 -0.762 1.00 0.00 N ATOM 913 CA LEU A 63 7.210 3.991 -1.693 1.00 0.00 C ATOM 914 C LEU A 63 5.892 4.571 -1.189 1.00 0.00 C ATOM 915 O LEU A 63 5.738 4.843 0.001 1.00 0.00 O ATOM 916 CB LEU A 63 7.073 2.481 -1.895 1.00 0.00 C ATOM 917 CG LEU A 63 8.334 1.747 -2.351 1.00 0.00 C ATOM 918 CD1 LEU A 63 9.182 2.645 -3.239 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.137 1.269 -1.150 1.00 0.00 C ATOM 0 H LEU A 63 8.331 3.661 0.049 1.00 0.00 H new ATOM 0 HA LEU A 63 7.449 4.459 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.738 2.038 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.288 2.303 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 63 8.034 0.875 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.075 2.106 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.606 2.937 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.473 3.536 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.031 0.749 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.427 2.126 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.529 0.590 -0.553 1.00 0.00 H new ATOM 931 N GLU A 64 4.945 4.754 -2.103 1.00 0.00 N ATOM 932 CA GLU A 64 3.639 5.300 -1.750 1.00 0.00 C ATOM 933 C GLU A 64 2.569 4.826 -2.728 1.00 0.00 C ATOM 934 O GLU A 64 2.698 5.000 -3.941 1.00 0.00 O ATOM 935 CB GLU A 64 3.689 6.829 -1.732 1.00 0.00 C ATOM 936 CG GLU A 64 2.402 7.474 -1.245 1.00 0.00 C ATOM 937 CD GLU A 64 1.303 7.444 -2.288 1.00 0.00 C ATOM 938 OE1 GLU A 64 1.304 8.320 -3.177 1.00 0.00 O ATOM 939 OE2 GLU A 64 0.441 6.543 -2.215 1.00 0.00 O ATOM 0 H GLU A 64 5.057 4.533 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 64 3.380 4.941 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.511 7.150 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.908 7.189 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.060 6.960 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.602 8.508 -0.963 1.00 0.00 H new ATOM 946 N LEU A 65 1.512 4.224 -2.194 1.00 0.00 N ATOM 947 CA LEU A 65 0.417 3.724 -3.019 1.00 0.00 C ATOM 948 C LEU A 65 -0.901 4.388 -2.635 1.00 0.00 C ATOM 949 O LEU A 65 -1.474 4.095 -1.585 1.00 0.00 O ATOM 950 CB LEU A 65 0.298 2.206 -2.875 1.00 0.00 C ATOM 951 CG LEU A 65 -0.887 1.555 -3.590 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.582 1.368 -5.068 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.235 0.223 -2.942 1.00 0.00 C ATOM 0 H LEU A 65 1.390 4.070 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 65 0.636 3.969 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.216 1.753 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.233 1.966 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.749 2.216 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.437 0.904 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.384 2.338 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.293 0.728 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.080 -0.226 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.376 -0.446 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.498 0.385 -1.897 1.00 0.00 H new ATOM 965 N VAL A 66 -1.380 5.281 -3.495 1.00 0.00 N ATOM 966 CA VAL A 66 -2.633 5.984 -3.248 1.00 0.00 C ATOM 967 C VAL A 66 -3.829 5.144 -3.681 1.00 0.00 C ATOM 968 O VAL A 66 -3.771 4.432 -4.684 1.00 0.00 O ATOM 969 CB VAL A 66 -2.674 7.335 -3.987 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.099 7.863 -4.057 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.757 8.341 -3.309 1.00 0.00 C ATOM 0 H VAL A 66 -0.919 5.535 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.689 6.164 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.318 7.183 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.108 8.818 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.726 7.149 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.486 8.001 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.798 9.290 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.080 8.491 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.734 7.964 -3.317 1.00 0.00 H new ATOM 981 N VAL A 67 -4.915 5.231 -2.919 1.00 0.00 N ATOM 982 CA VAL A 67 -6.126 4.480 -3.224 1.00 0.00 C ATOM 983 C VAL A 67 -7.364 5.362 -3.104 1.00 0.00 C ATOM 984 O VAL A 67 -7.796 5.696 -2.001 1.00 0.00 O ATOM 985 CB VAL A 67 -6.283 3.265 -2.291 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.536 2.478 -2.645 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.049 2.377 -2.361 1.00 0.00 C ATOM 0 H VAL A 67 -4.980 5.815 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.031 4.130 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.386 3.626 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.630 1.623 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.411 3.120 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.466 2.126 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.177 1.523 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.913 2.023 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.172 2.948 -2.055 1.00 0.00 H new ATOM 997 N ARG A 68 -7.931 5.735 -4.247 1.00 0.00 N ATOM 998 CA ARG A 68 -9.120 6.579 -4.270 1.00 0.00 C ATOM 999 C ARG A 68 -10.386 5.732 -4.365 1.00 0.00 C ATOM 1000 O ARG A 68 -10.356 4.607 -4.861 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.056 7.554 -5.447 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.300 7.010 -6.648 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.659 7.762 -7.920 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.886 8.993 -8.065 1.00 0.00 N ATOM 1005 CZ ARG A 68 -8.097 9.884 -9.027 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -9.053 9.683 -9.923 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -7.352 10.980 -9.093 1.00 0.00 N ATOM 0 H ARG A 68 -7.586 5.466 -5.169 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.152 7.145 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.071 7.809 -5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.581 8.478 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.227 7.087 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.527 5.951 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.483 7.120 -8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.723 8.001 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.144 9.178 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.629 8.842 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.213 10.369 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.616 11.139 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.515 11.664 -9.832 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.497 6.282 -3.886 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.773 5.577 -3.915 1.00 0.00 C ATOM 1023 C ASN A 69 -12.755 4.378 -2.972 1.00 0.00 C ATOM 1024 O ASN A 69 -13.084 3.258 -3.366 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.091 5.115 -5.339 1.00 0.00 C ATOM 1026 CG ASN A 69 -14.566 4.820 -5.535 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.199 5.553 -6.443 1.00 0.00 O flip ATOM 1028 ND2 ASN A 69 -15.127 3.943 -4.879 1.00 0.00 N flip ATOM 0 H ASN A 69 -11.539 7.214 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.548 6.267 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.780 5.884 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.511 4.220 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.600 3.404 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.119 3.755 -5.023 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.368 4.620 -1.724 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.307 3.561 -0.723 1.00 0.00 C ATOM 1037 C LEU A 70 -13.649 2.845 -0.605 1.00 0.00 C ATOM 1038 O LEU A 70 -14.702 3.434 -0.850 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.904 4.138 0.635 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.404 4.332 0.863 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.158 5.393 1.923 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.751 3.016 1.261 1.00 0.00 C ATOM 0 H LEU A 70 -12.092 5.540 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.556 2.838 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.398 5.102 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.288 3.481 1.415 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.955 4.670 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.085 5.517 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.591 6.339 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.621 5.085 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.684 3.173 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.204 2.649 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.896 2.283 0.467 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.604 1.572 -0.226 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.816 0.776 -0.075 1.00 0.00 C ATOM 1056 C ARG A 71 -14.591 -0.377 0.900 1.00 0.00 C ATOM 1057 O ARG A 71 -13.469 -0.842 1.101 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.266 0.231 -1.431 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.064 1.229 -2.254 1.00 0.00 C ATOM 1060 CD ARG A 71 -16.654 0.581 -3.497 1.00 0.00 C ATOM 1061 NE ARG A 71 -15.626 0.236 -4.475 1.00 0.00 N ATOM 1062 CZ ARG A 71 -15.858 -0.495 -5.559 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -17.077 -0.957 -5.803 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -14.870 -0.766 -6.403 1.00 0.00 N ATOM 0 H ARG A 71 -12.741 1.070 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.597 1.422 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.388 -0.076 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.871 -0.662 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.866 1.646 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.420 2.059 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.200 -0.318 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.374 1.260 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.677 0.575 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.839 -0.751 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.252 -1.518 -6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.931 -0.413 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.050 -1.328 -7.235 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.682 -0.849 1.520 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.630 -1.953 2.483 1.00 0.00 C ATOM 1080 C PRO A 72 -15.310 -3.287 1.818 1.00 0.00 C ATOM 1081 O PRO A 72 -14.956 -4.256 2.491 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.042 -1.975 3.074 1.00 0.00 C ATOM 1083 CG PRO A 72 -17.903 -1.371 2.019 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.052 -0.343 1.327 1.00 0.00 C ATOM 0 HA PRO A 72 -14.845 -1.810 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.357 -2.992 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.092 -1.404 4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.248 -2.129 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.791 -0.913 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.304 -0.258 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.181 0.647 1.766 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.435 -3.330 0.496 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.159 -4.547 -0.258 1.00 0.00 C ATOM 1094 C GLN A 73 -13.675 -4.654 -0.594 1.00 0.00 C ATOM 1095 O GLN A 73 -13.226 -5.655 -1.153 1.00 0.00 O ATOM 1096 CB GLN A 73 -15.989 -4.576 -1.543 1.00 0.00 C ATOM 1097 CG GLN A 73 -15.791 -3.351 -2.422 1.00 0.00 C ATOM 1098 CD GLN A 73 -16.372 -3.530 -3.811 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -15.638 -3.635 -4.794 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -17.696 -3.567 -3.899 1.00 0.00 N ATOM 0 H GLN A 73 -15.726 -2.536 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.435 -5.399 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.730 -5.468 -2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.044 -4.660 -1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -16.256 -2.488 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.726 -3.135 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -18.266 -3.476 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.144 -3.686 -4.808 1.00 0.00 H new ATOM 1109 N ASP A 74 -12.920 -3.616 -0.251 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.486 -3.594 -0.516 1.00 0.00 C ATOM 1111 C ASP A 74 -10.714 -4.267 0.614 1.00 0.00 C ATOM 1112 O ASP A 74 -9.681 -4.896 0.385 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.002 -2.154 -0.695 1.00 0.00 C ATOM 1114 CG ASP A 74 -11.247 -1.631 -2.097 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -11.737 -2.408 -2.942 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -10.948 -0.444 -2.348 1.00 0.00 O ATOM 0 H ASP A 74 -13.277 -2.779 0.211 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.302 -4.148 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.510 -1.511 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.936 -2.101 -0.472 1.00 0.00 H new ATOM 1121 N SER A 75 -11.221 -4.128 1.835 1.00 0.00 N ATOM 1122 CA SER A 75 -10.577 -4.719 3.002 1.00 0.00 C ATOM 1123 C SER A 75 -10.078 -6.127 2.693 1.00 0.00 C ATOM 1124 O SER A 75 -10.850 -7.086 2.697 1.00 0.00 O ATOM 1125 CB SER A 75 -11.549 -4.757 4.183 1.00 0.00 C ATOM 1126 OG SER A 75 -11.968 -3.451 4.540 1.00 0.00 O ATOM 0 H SER A 75 -12.076 -3.611 2.042 1.00 0.00 H new ATOM 0 HA SER A 75 -9.720 -4.099 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.417 -5.363 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.070 -5.235 5.037 1.00 0.00 H new ATOM 0 HG SER A 75 -12.590 -3.502 5.296 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.781 -6.244 2.425 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.201 -7.538 2.117 1.00 0.00 C ATOM 1134 C GLY A 76 -6.828 -7.719 2.734 1.00 0.00 C ATOM 1135 O GLY A 76 -6.635 -7.459 3.922 1.00 0.00 O ATOM 0 H GLY A 76 -8.122 -5.466 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.864 -8.325 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.128 -7.652 1.035 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.872 -8.167 1.926 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.511 -8.386 2.401 1.00 0.00 C ATOM 1141 C ARG A 77 -3.500 -7.708 1.481 1.00 0.00 C ATOM 1142 O ARG A 77 -3.229 -8.186 0.379 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.213 -9.884 2.488 1.00 0.00 C ATOM 1144 CG ARG A 77 -3.192 -10.240 3.556 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.823 -11.714 3.504 1.00 0.00 C ATOM 1146 NE ARG A 77 -3.739 -12.536 4.291 1.00 0.00 N ATOM 1147 CZ ARG A 77 -4.899 -12.991 3.830 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -5.282 -12.706 2.593 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -5.678 -13.733 4.607 1.00 0.00 N ATOM 0 H ARG A 77 -6.015 -8.385 0.940 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.424 -7.947 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.141 -10.419 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.850 -10.231 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.296 -9.634 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.594 -9.999 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.831 -12.053 2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.807 -11.847 3.875 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.473 -12.774 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.686 -12.136 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.173 -13.057 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.386 -13.954 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.568 -14.082 4.252 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.945 -6.592 1.941 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.966 -5.847 1.159 1.00 0.00 C ATOM 1165 C TYR A 78 -0.544 -6.210 1.578 1.00 0.00 C ATOM 1166 O TYR A 78 -0.250 -6.343 2.765 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.189 -4.343 1.322 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.605 -3.905 1.022 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.589 -3.946 2.003 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.959 -3.449 -0.242 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.884 -3.548 1.733 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.251 -3.047 -0.520 1.00 0.00 C ATOM 1173 CZ TYR A 78 -6.210 -3.099 0.470 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.498 -2.700 0.197 1.00 0.00 O ATOM 0 H TYR A 78 -3.157 -6.184 2.851 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.097 -6.115 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.937 -4.055 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.505 -3.809 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.337 -4.295 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.211 -3.408 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.637 -3.588 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.509 -2.694 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.101 -3.469 0.268 1.00 0.00 H new ATOM 1184 N SER A 79 0.334 -6.367 0.592 1.00 0.00 N ATOM 1185 CA SER A 79 1.725 -6.717 0.857 1.00 0.00 C ATOM 1186 C SER A 79 2.621 -6.293 -0.303 1.00 0.00 C ATOM 1187 O SER A 79 2.180 -6.227 -1.451 1.00 0.00 O ATOM 1188 CB SER A 79 1.857 -8.222 1.095 1.00 0.00 C ATOM 1189 OG SER A 79 1.179 -8.959 0.093 1.00 0.00 O ATOM 0 H SER A 79 0.107 -6.258 -0.396 1.00 0.00 H new ATOM 0 HA SER A 79 2.044 -6.185 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.911 -8.500 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.451 -8.475 2.074 1.00 0.00 H new ATOM 0 HG SER A 79 1.280 -9.918 0.267 1.00 0.00 H new ATOM 1195 N CYS A 80 3.881 -6.009 0.006 1.00 0.00 N ATOM 1196 CA CYS A 80 4.842 -5.591 -1.010 1.00 0.00 C ATOM 1197 C CYS A 80 6.071 -6.493 -0.999 1.00 0.00 C ATOM 1198 O CYS A 80 6.831 -6.513 -0.031 1.00 0.00 O ATOM 1199 CB CYS A 80 5.258 -4.137 -0.780 1.00 0.00 C ATOM 1200 SG CYS A 80 5.742 -3.261 -2.286 1.00 0.00 S ATOM 0 H CYS A 80 4.262 -6.060 0.951 1.00 0.00 H new ATOM 0 HA CYS A 80 4.362 -5.674 -1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.431 -3.603 -0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.090 -4.115 -0.076 1.00 0.00 H new ATOM 0 HG CYS A 80 5.660 -4.067 -3.302 1.00 0.00 H new ATOM 1206 N SER A 81 6.261 -7.239 -2.083 1.00 0.00 N ATOM 1207 CA SER A 81 7.395 -8.148 -2.196 1.00 0.00 C ATOM 1208 C SER A 81 8.641 -7.405 -2.669 1.00 0.00 C ATOM 1209 O SER A 81 8.593 -6.638 -3.631 1.00 0.00 O ATOM 1210 CB SER A 81 7.069 -9.287 -3.165 1.00 0.00 C ATOM 1211 OG SER A 81 7.949 -10.382 -2.979 1.00 0.00 O ATOM 0 H SER A 81 5.644 -7.231 -2.895 1.00 0.00 H new ATOM 0 HA SER A 81 7.594 -8.566 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.040 -9.614 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.142 -8.928 -4.191 1.00 0.00 H new ATOM 0 HG SER A 81 7.719 -11.097 -3.608 1.00 0.00 H new ATOM 1217 N PHE A 82 9.757 -7.638 -1.985 1.00 0.00 N ATOM 1218 CA PHE A 82 11.016 -6.991 -2.333 1.00 0.00 C ATOM 1219 C PHE A 82 12.204 -7.816 -1.846 1.00 0.00 C ATOM 1220 O PHE A 82 12.394 -8.002 -0.645 1.00 0.00 O ATOM 1221 CB PHE A 82 11.076 -5.586 -1.730 1.00 0.00 C ATOM 1222 CG PHE A 82 11.930 -4.632 -2.515 1.00 0.00 C ATOM 1223 CD1 PHE A 82 13.131 -5.050 -3.066 1.00 0.00 C ATOM 1224 CD2 PHE A 82 11.533 -3.318 -2.702 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.920 -4.175 -3.788 1.00 0.00 C ATOM 1226 CE2 PHE A 82 12.318 -2.438 -3.424 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.512 -2.868 -3.968 1.00 0.00 C ATOM 0 H PHE A 82 9.814 -8.270 -1.187 1.00 0.00 H new ATOM 0 HA PHE A 82 11.069 -6.915 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.065 -5.185 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.461 -5.652 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.454 -6.071 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.600 -2.977 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.855 -4.513 -4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.998 -1.416 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.126 -2.183 -4.534 1.00 0.00 H new ATOM 1237 N GLY A 83 13.001 -8.309 -2.790 1.00 0.00 N ATOM 1238 CA GLY A 83 14.159 -9.109 -2.439 1.00 0.00 C ATOM 1239 C GLY A 83 13.780 -10.430 -1.798 1.00 0.00 C ATOM 1240 O GLY A 83 13.165 -11.283 -2.437 1.00 0.00 O ATOM 0 H GLY A 83 12.865 -8.168 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.750 -9.300 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.792 -8.545 -1.754 1.00 0.00 H new ATOM 1244 N ASP A 84 14.148 -10.599 -0.533 1.00 0.00 N ATOM 1245 CA ASP A 84 13.843 -11.825 0.194 1.00 0.00 C ATOM 1246 C ASP A 84 12.800 -11.569 1.277 1.00 0.00 C ATOM 1247 O ASP A 84 12.032 -12.462 1.635 1.00 0.00 O ATOM 1248 CB ASP A 84 15.114 -12.402 0.820 1.00 0.00 C ATOM 1249 CG ASP A 84 15.691 -11.502 1.894 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.583 -10.266 1.753 1.00 0.00 O ATOM 1251 OD2 ASP A 84 16.251 -12.033 2.876 1.00 0.00 O ATOM 0 H ASP A 84 14.658 -9.902 0.010 1.00 0.00 H new ATOM 0 HA ASP A 84 13.436 -12.546 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.893 -13.379 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.860 -12.558 0.041 1.00 0.00 H new ATOM 1256 N GLN A 85 12.780 -10.346 1.796 1.00 0.00 N ATOM 1257 CA GLN A 85 11.832 -9.974 2.839 1.00 0.00 C ATOM 1258 C GLN A 85 10.590 -9.323 2.239 1.00 0.00 C ATOM 1259 O GLN A 85 10.673 -8.591 1.253 1.00 0.00 O ATOM 1260 CB GLN A 85 12.489 -9.020 3.838 1.00 0.00 C ATOM 1261 CG GLN A 85 13.468 -9.704 4.779 1.00 0.00 C ATOM 1262 CD GLN A 85 12.787 -10.667 5.731 1.00 0.00 C ATOM 1263 OE1 GLN A 85 12.943 -11.883 5.621 1.00 0.00 O ATOM 1264 NE2 GLN A 85 12.025 -10.126 6.675 1.00 0.00 N ATOM 0 H GLN A 85 13.410 -9.596 1.511 1.00 0.00 H new ATOM 0 HA GLN A 85 11.529 -10.882 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 85 13.012 -8.237 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.712 -8.532 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.212 -10.244 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.002 -8.948 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.923 -9.113 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.541 -10.724 7.345 1.00 0.00 H new ATOM 1273 N THR A 86 9.436 -9.596 2.841 1.00 0.00 N ATOM 1274 CA THR A 86 8.176 -9.039 2.366 1.00 0.00 C ATOM 1275 C THR A 86 7.261 -8.676 3.530 1.00 0.00 C ATOM 1276 O THR A 86 7.136 -9.432 4.494 1.00 0.00 O ATOM 1277 CB THR A 86 7.441 -10.024 1.438 1.00 0.00 C ATOM 1278 OG1 THR A 86 8.196 -10.223 0.238 1.00 0.00 O ATOM 1279 CG2 THR A 86 6.053 -9.507 1.089 1.00 0.00 C ATOM 0 H THR A 86 9.349 -10.200 3.659 1.00 0.00 H new ATOM 0 HA THR A 86 8.421 -8.137 1.805 1.00 0.00 H new ATOM 0 HB THR A 86 7.336 -10.973 1.963 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.722 -10.852 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.554 -10.220 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.470 -9.384 2.002 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.140 -8.546 0.582 1.00 0.00 H new ATOM 1287 N THR A 87 6.622 -7.514 3.435 1.00 0.00 N ATOM 1288 CA THR A 87 5.718 -7.051 4.480 1.00 0.00 C ATOM 1289 C THR A 87 4.262 -7.212 4.059 1.00 0.00 C ATOM 1290 O THR A 87 3.949 -7.239 2.869 1.00 0.00 O ATOM 1291 CB THR A 87 5.979 -5.575 4.835 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.131 -5.174 5.916 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.732 -4.678 3.631 1.00 0.00 C ATOM 0 H THR A 87 6.714 -6.876 2.644 1.00 0.00 H new ATOM 0 HA THR A 87 5.909 -7.667 5.359 1.00 0.00 H new ATOM 0 HB THR A 87 7.022 -5.475 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.560 -4.432 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.922 -3.640 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.399 -4.967 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.697 -4.783 3.305 1.00 0.00 H new ATOM 1301 N SER A 88 3.374 -7.317 5.043 1.00 0.00 N ATOM 1302 CA SER A 88 1.950 -7.478 4.774 1.00 0.00 C ATOM 1303 C SER A 88 1.113 -6.783 5.845 1.00 0.00 C ATOM 1304 O SER A 88 1.215 -7.100 7.029 1.00 0.00 O ATOM 1305 CB SER A 88 1.586 -8.962 4.710 1.00 0.00 C ATOM 1306 OG SER A 88 2.428 -9.655 3.804 1.00 0.00 O ATOM 0 H SER A 88 3.616 -7.293 6.034 1.00 0.00 H new ATOM 0 HA SER A 88 1.733 -7.016 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.673 -9.404 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.546 -9.072 4.402 1.00 0.00 H new ATOM 0 HG SER A 88 2.176 -10.602 3.782 1.00 0.00 H new ATOM 1312 N ALA A 89 0.287 -5.835 5.417 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.570 -5.096 6.337 1.00 0.00 C ATOM 1314 C ALA A 89 -2.025 -5.138 5.885 1.00 0.00 C ATOM 1315 O ALA A 89 -2.335 -5.619 4.795 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.094 -3.656 6.460 1.00 0.00 C ATOM 0 H ALA A 89 0.193 -5.560 4.439 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.507 -5.572 7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.743 -3.116 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.929 -3.642 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.126 -3.177 5.481 1.00 0.00 H new ATOM 1322 N THR A 90 -2.917 -4.631 6.731 1.00 0.00 N ATOM 1323 CA THR A 90 -4.341 -4.613 6.420 1.00 0.00 C ATOM 1324 C THR A 90 -4.917 -3.208 6.562 1.00 0.00 C ATOM 1325 O THR A 90 -4.434 -2.407 7.363 1.00 0.00 O ATOM 1326 CB THR A 90 -5.128 -5.572 7.332 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.535 -6.875 7.301 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.583 -5.661 6.896 1.00 0.00 C ATOM 0 H THR A 90 -2.678 -4.227 7.637 1.00 0.00 H new ATOM 0 HA THR A 90 -4.442 -4.942 5.386 1.00 0.00 H new ATOM 0 HB THR A 90 -5.093 -5.182 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.040 -7.478 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.119 -6.344 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.040 -4.673 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.634 -6.030 5.872 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.950 -2.916 5.780 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.592 -1.607 5.819 1.00 0.00 C ATOM 1338 C LEU A 91 -8.036 -1.723 6.296 1.00 0.00 C ATOM 1339 O LEU A 91 -8.805 -2.544 5.793 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.552 -0.955 4.436 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.428 0.284 4.251 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -7.083 1.341 5.289 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.271 0.844 2.845 1.00 0.00 C ATOM 0 H LEU A 91 -6.361 -3.568 5.111 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.044 -0.983 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.520 -0.682 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.850 -1.699 3.697 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.469 -0.007 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.716 2.216 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.248 0.937 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.037 1.628 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.902 1.726 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.230 1.119 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.569 0.089 2.117 1.00 0.00 H new ATOM 1355 N THR A 92 -8.401 -0.894 7.270 1.00 0.00 N ATOM 1356 CA THR A 92 -9.753 -0.903 7.815 1.00 0.00 C ATOM 1357 C THR A 92 -10.622 0.157 7.147 1.00 0.00 C ATOM 1358 O THR A 92 -10.280 1.339 7.138 1.00 0.00 O ATOM 1359 CB THR A 92 -9.747 -0.661 9.336 1.00 0.00 C ATOM 1360 OG1 THR A 92 -9.005 -1.694 9.994 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.166 -0.621 9.883 1.00 0.00 C ATOM 0 H THR A 92 -7.779 -0.208 7.697 1.00 0.00 H new ATOM 0 HA THR A 92 -10.169 -1.890 7.613 1.00 0.00 H new ATOM 0 HB THR A 92 -9.274 0.302 9.526 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.005 -1.532 10.960 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.136 -0.449 10.959 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.719 0.186 9.402 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.661 -1.571 9.681 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.748 -0.275 6.588 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.668 0.638 5.919 1.00 0.00 C ATOM 1371 C VAL A 93 -14.094 0.449 6.424 1.00 0.00 C ATOM 1372 O VAL A 93 -14.718 -0.584 6.184 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.645 0.437 4.392 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.616 1.391 3.713 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.236 0.624 3.851 1.00 0.00 C ATOM 0 H VAL A 93 -12.045 -1.251 6.585 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.335 1.650 6.150 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.961 -0.583 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.586 1.234 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.626 1.204 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.333 2.419 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.239 0.478 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.889 1.631 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.569 -0.104 4.314 1.00 0.00 H new ATOM 1385 N THR A 94 -14.605 1.456 7.126 1.00 0.00 N ATOM 1386 CA THR A 94 -15.957 1.402 7.666 1.00 0.00 C ATOM 1387 C THR A 94 -16.952 2.074 6.727 1.00 0.00 C ATOM 1388 O THR A 94 -16.718 3.185 6.252 1.00 0.00 O ATOM 1389 CB THR A 94 -16.037 2.077 9.049 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.902 1.709 9.840 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.316 1.680 9.771 1.00 0.00 C ATOM 0 H THR A 94 -14.102 2.319 7.334 1.00 0.00 H new ATOM 0 HA THR A 94 -16.214 0.348 7.769 1.00 0.00 H new ATOM 0 HB THR A 94 -16.042 3.157 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.959 2.143 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.351 2.168 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.178 1.988 9.180 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.337 0.599 9.907 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.063 1.394 6.463 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.095 1.927 5.583 1.00 0.00 C ATOM 1401 C ALA A 95 -19.859 3.062 6.257 1.00 0.00 C ATOM 1402 O ALA A 95 -20.649 2.834 7.173 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.051 0.822 5.160 1.00 0.00 C ATOM 0 H ALA A 95 -18.271 0.472 6.847 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.608 2.330 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.816 1.235 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.498 0.046 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.524 0.392 6.043 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.618 4.285 5.798 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.283 5.457 6.357 1.00 0.00 C ATOM 1411 C LEU A 96 -21.797 5.266 6.377 1.00 0.00 C ATOM 1412 O LEU A 96 -22.382 4.653 5.484 1.00 0.00 O ATOM 1413 CB LEU A 96 -19.926 6.705 5.548 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.858 7.039 4.383 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.184 7.577 4.897 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.201 8.042 3.445 1.00 0.00 C ATOM 0 H LEU A 96 -18.967 4.491 5.040 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.937 5.585 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -19.904 7.559 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.916 6.583 5.156 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.053 6.123 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -22.834 7.809 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.661 6.827 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.008 8.482 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.879 8.268 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.976 8.958 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.278 7.619 3.049 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.447 5.805 7.419 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.901 5.709 7.579 1.00 0.00 C ATOM 1430 C PRO A 97 -24.654 6.546 6.550 1.00 0.00 C ATOM 1431 O PRO A 97 -24.831 7.751 6.726 1.00 0.00 O ATOM 1432 CB PRO A 97 -24.140 6.255 8.989 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.982 7.156 9.247 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.814 6.549 8.520 1.00 0.00 C ATOM 0 HA PRO A 97 -24.260 4.690 7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -25.084 6.796 9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -24.187 5.450 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.185 8.165 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.779 7.234 10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.131 7.313 8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.235 5.892 9.168 1.00 0.00 H new