USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 LYS NZ :NH3+ 160:sc= -0.0641 (180deg=-0.805) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) 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 27:sc= -0.661 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 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.08! C(o=-4.1!,f=-8.2!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0069 X(o=-0.0069,f=-0.0089) USER MOD Single : A 73 GLN : amide:sc= -4.73! C(o=-4.7!,f=-12!) USER MOD Single : A 75 SER OG : rot 42:sc= 0.016 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 10:sc= -0.333 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.701 K(o=-0.7,f=-2.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -126:sc= -2.7! USER MOD Single : A 88 SER OG : rot 25:sc= 0.523 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 17.644 -5.824 0.817 1.00 0.00 N ATOM 81 CA VAL A 9 17.059 -4.632 1.421 1.00 0.00 C ATOM 82 C VAL A 9 16.084 -5.002 2.533 1.00 0.00 C ATOM 83 O VAL A 9 14.968 -5.451 2.270 1.00 0.00 O ATOM 84 CB VAL A 9 16.325 -3.775 0.373 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.810 -2.489 1.000 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.240 -3.475 -0.805 1.00 0.00 C ATOM 0 HA VAL A 9 17.882 -4.053 1.841 1.00 0.00 H new ATOM 0 HB VAL A 9 15.468 -4.339 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.294 -1.897 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.118 -2.729 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.648 -1.918 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.705 -2.869 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.117 -2.931 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.554 -4.410 -1.269 1.00 0.00 H new ATOM 96 N ARG A 10 16.512 -4.810 3.776 1.00 0.00 N ATOM 97 CA ARG A 10 15.676 -5.123 4.929 1.00 0.00 C ATOM 98 C ARG A 10 14.571 -4.085 5.098 1.00 0.00 C ATOM 99 O ARG A 10 14.777 -2.897 4.847 1.00 0.00 O ATOM 100 CB ARG A 10 16.527 -5.190 6.199 1.00 0.00 C ATOM 101 CG ARG A 10 15.975 -6.136 7.252 1.00 0.00 C ATOM 102 CD ARG A 10 16.512 -5.804 8.636 1.00 0.00 C ATOM 103 NE ARG A 10 16.541 -6.975 9.508 1.00 0.00 N ATOM 104 CZ ARG A 10 16.917 -6.934 10.781 1.00 0.00 C ATOM 105 NH1 ARG A 10 17.294 -5.787 11.328 1.00 0.00 N ATOM 106 NH2 ARG A 10 16.917 -8.043 11.510 1.00 0.00 N ATOM 0 H ARG A 10 17.433 -4.439 4.011 1.00 0.00 H new ATOM 0 HA ARG A 10 15.213 -6.095 4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.536 -5.504 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.606 -4.190 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.887 -6.079 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.238 -7.162 6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.518 -5.395 8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.892 -5.030 9.089 1.00 0.00 H new ATOM 0 HE ARG A 10 16.257 -7.874 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.296 -4.933 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.582 -5.759 12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.628 -8.928 11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.206 -8.011 12.488 1.00 0.00 H new ATOM 120 N PHE A 11 13.398 -4.541 5.525 1.00 0.00 N ATOM 121 CA PHE A 11 12.260 -3.652 5.726 1.00 0.00 C ATOM 122 C PHE A 11 12.354 -2.944 7.074 1.00 0.00 C ATOM 123 O PHE A 11 11.904 -3.467 8.094 1.00 0.00 O ATOM 124 CB PHE A 11 10.950 -4.439 5.641 1.00 0.00 C ATOM 125 CG PHE A 11 10.383 -4.511 4.252 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.911 -3.370 3.623 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.322 -5.718 3.576 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.387 -3.433 2.346 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.800 -5.787 2.298 1.00 0.00 C ATOM 130 CZ PHE A 11 9.333 -4.643 1.682 1.00 0.00 C ATOM 0 H PHE A 11 13.211 -5.521 5.738 1.00 0.00 H new ATOM 0 HA PHE A 11 12.276 -2.899 4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.119 -5.451 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.215 -3.978 6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.953 -2.421 4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.687 -6.616 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.020 -2.537 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.757 -6.735 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.926 -4.694 0.683 1.00 0.00 H new ATOM 140 N GLN A 12 12.943 -1.753 7.070 1.00 0.00 N ATOM 141 CA GLN A 12 13.098 -0.973 8.293 1.00 0.00 C ATOM 142 C GLN A 12 11.739 -0.595 8.873 1.00 0.00 C ATOM 143 O GLN A 12 11.434 -0.914 10.021 1.00 0.00 O ATOM 144 CB GLN A 12 13.918 0.288 8.018 1.00 0.00 C ATOM 145 CG GLN A 12 14.223 1.099 9.267 1.00 0.00 C ATOM 146 CD GLN A 12 14.814 2.459 8.950 1.00 0.00 C ATOM 147 OE1 GLN A 12 16.018 2.674 9.095 1.00 0.00 O ATOM 148 NE2 GLN A 12 13.969 3.385 8.514 1.00 0.00 N ATOM 0 H GLN A 12 13.321 -1.307 6.234 1.00 0.00 H new ATOM 0 HA GLN A 12 13.625 -1.588 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.856 0.005 7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.377 0.916 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.307 1.230 9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.918 0.543 9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.979 3.163 8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.310 4.319 8.284 1.00 0.00 H new ATOM 157 N GLU A 13 10.928 0.088 8.071 1.00 0.00 N ATOM 158 CA GLU A 13 9.602 0.511 8.506 1.00 0.00 C ATOM 159 C GLU A 13 8.543 0.122 7.479 1.00 0.00 C ATOM 160 O GLU A 13 7.926 0.983 6.852 1.00 0.00 O ATOM 161 CB GLU A 13 9.575 2.024 8.736 1.00 0.00 C ATOM 162 CG GLU A 13 10.377 2.470 9.947 1.00 0.00 C ATOM 163 CD GLU A 13 10.619 3.967 9.967 1.00 0.00 C ATOM 164 OE1 GLU A 13 10.981 4.523 8.909 1.00 0.00 O ATOM 165 OE2 GLU A 13 10.447 4.582 11.040 1.00 0.00 O ATOM 0 H GLU A 13 11.166 0.360 7.117 1.00 0.00 H new ATOM 0 HA GLU A 13 9.376 0.004 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.963 2.525 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.541 2.346 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.849 2.179 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.335 1.951 9.955 1.00 0.00 H new ATOM 172 N ALA A 14 8.338 -1.180 7.313 1.00 0.00 N ATOM 173 CA ALA A 14 7.353 -1.684 6.364 1.00 0.00 C ATOM 174 C ALA A 14 5.979 -1.076 6.625 1.00 0.00 C ATOM 175 O ALA A 14 5.775 -0.379 7.620 1.00 0.00 O ATOM 176 CB ALA A 14 7.282 -3.202 6.432 1.00 0.00 C ATOM 0 H ALA A 14 8.841 -1.906 7.824 1.00 0.00 H new ATOM 0 HA ALA A 14 7.667 -1.391 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.542 -3.564 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.258 -3.623 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.995 -3.508 7.438 1.00 0.00 H new ATOM 182 N LEU A 15 5.038 -1.343 5.725 1.00 0.00 N ATOM 183 CA LEU A 15 3.682 -0.822 5.858 1.00 0.00 C ATOM 184 C LEU A 15 3.132 -1.086 7.256 1.00 0.00 C ATOM 185 O LEU A 15 3.717 -1.839 8.034 1.00 0.00 O ATOM 186 CB LEU A 15 2.767 -1.455 4.809 1.00 0.00 C ATOM 187 CG LEU A 15 3.110 -1.156 3.349 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.663 -2.298 2.451 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.472 0.153 2.909 1.00 0.00 C ATOM 0 H LEU A 15 5.190 -1.917 4.896 1.00 0.00 H new ATOM 0 HA LEU A 15 3.716 0.256 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.780 -2.536 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.747 -1.121 4.997 1.00 0.00 H new ATOM 0 HG LEU A 15 4.192 -1.056 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.915 -2.067 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.168 -3.216 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.585 -2.431 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.727 0.350 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.389 0.082 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.843 0.966 3.533 1.00 0.00 H new ATOM 201 N LYS A 16 2.001 -0.461 7.568 1.00 0.00 N ATOM 202 CA LYS A 16 1.368 -0.630 8.871 1.00 0.00 C ATOM 203 C LYS A 16 -0.149 -0.701 8.733 1.00 0.00 C ATOM 204 O LYS A 16 -0.696 -0.467 7.655 1.00 0.00 O ATOM 205 CB LYS A 16 1.754 0.522 9.801 1.00 0.00 C ATOM 206 CG LYS A 16 3.247 0.620 10.063 1.00 0.00 C ATOM 207 CD LYS A 16 3.626 1.977 10.630 1.00 0.00 C ATOM 208 CE LYS A 16 3.630 3.050 9.553 1.00 0.00 C ATOM 209 NZ LYS A 16 3.807 4.413 10.127 1.00 0.00 N ATOM 0 H LYS A 16 1.504 0.167 6.936 1.00 0.00 H new ATOM 0 HA LYS A 16 1.720 -1.568 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.408 1.460 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.234 0.400 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.547 -0.163 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.792 0.447 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.924 2.253 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.613 1.918 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.432 2.848 8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.694 3.009 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.804 5.116 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.028 4.616 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.712 4.460 10.636 1.00 0.00 H new ATOM 223 N ASP A 17 -0.824 -1.024 9.831 1.00 0.00 N ATOM 224 CA ASP A 17 -2.279 -1.122 9.834 1.00 0.00 C ATOM 225 C ASP A 17 -2.917 0.263 9.848 1.00 0.00 C ATOM 226 O ASP A 17 -2.654 1.071 10.740 1.00 0.00 O ATOM 227 CB ASP A 17 -2.755 -1.929 11.043 1.00 0.00 C ATOM 228 CG ASP A 17 -2.402 -1.263 12.358 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.202 -1.006 12.590 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.326 -0.999 13.155 1.00 0.00 O ATOM 0 H ASP A 17 -0.386 -1.222 10.731 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.586 -1.634 8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.835 -2.062 10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.309 -2.923 11.011 1.00 0.00 H new ATOM 235 N LEU A 18 -3.757 0.532 8.854 1.00 0.00 N ATOM 236 CA LEU A 18 -4.432 1.821 8.751 1.00 0.00 C ATOM 237 C LEU A 18 -5.947 1.643 8.749 1.00 0.00 C ATOM 238 O LEU A 18 -6.459 0.611 8.316 1.00 0.00 O ATOM 239 CB LEU A 18 -3.992 2.550 7.480 1.00 0.00 C ATOM 240 CG LEU A 18 -2.633 3.247 7.544 1.00 0.00 C ATOM 241 CD1 LEU A 18 -1.507 2.225 7.512 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.488 4.238 6.398 1.00 0.00 C ATOM 0 H LEU A 18 -3.987 -0.125 8.108 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.155 2.419 9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.971 1.831 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.749 3.294 7.231 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.571 3.796 8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.547 2.740 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.601 1.554 8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.565 1.648 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.515 4.725 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.571 3.710 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.275 4.990 6.465 1.00 0.00 H new ATOM 254 N GLU A 19 -6.658 2.656 9.235 1.00 0.00 N ATOM 255 CA GLU A 19 -8.114 2.610 9.288 1.00 0.00 C ATOM 256 C GLU A 19 -8.717 3.940 8.842 1.00 0.00 C ATOM 257 O GLU A 19 -8.401 4.994 9.395 1.00 0.00 O ATOM 258 CB GLU A 19 -8.585 2.273 10.704 1.00 0.00 C ATOM 259 CG GLU A 19 -10.090 2.378 10.886 1.00 0.00 C ATOM 260 CD GLU A 19 -10.531 3.766 11.309 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.137 4.205 12.409 1.00 0.00 O ATOM 262 OE2 GLU A 19 -11.271 4.413 10.538 1.00 0.00 O ATOM 0 H GLU A 19 -6.249 3.518 9.597 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.452 1.830 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.267 1.260 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.094 2.943 11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.585 2.113 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.413 1.654 11.634 1.00 0.00 H new ATOM 269 N VAL A 20 -9.586 3.882 7.839 1.00 0.00 N ATOM 270 CA VAL A 20 -10.234 5.080 7.318 1.00 0.00 C ATOM 271 C VAL A 20 -11.685 4.802 6.944 1.00 0.00 C ATOM 272 O VAL A 20 -12.070 3.654 6.716 1.00 0.00 O ATOM 273 CB VAL A 20 -9.493 5.628 6.085 1.00 0.00 C ATOM 274 CG1 VAL A 20 -10.234 6.822 5.503 1.00 0.00 C ATOM 275 CG2 VAL A 20 -8.063 6.002 6.445 1.00 0.00 C ATOM 0 H VAL A 20 -9.858 3.018 7.370 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.204 5.826 8.112 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.460 4.846 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.695 7.196 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.238 6.518 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.301 7.610 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.554 6.387 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.071 6.767 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.537 5.120 6.810 1.00 0.00 H new ATOM 285 N LEU A 21 -12.487 5.859 6.880 1.00 0.00 N ATOM 286 CA LEU A 21 -13.898 5.729 6.532 1.00 0.00 C ATOM 287 C LEU A 21 -14.084 5.692 5.019 1.00 0.00 C ATOM 288 O LEU A 21 -13.376 6.377 4.280 1.00 0.00 O ATOM 289 CB LEU A 21 -14.699 6.888 7.128 1.00 0.00 C ATOM 290 CG LEU A 21 -16.154 6.584 7.486 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.248 5.996 8.885 1.00 0.00 C ATOM 292 CD2 LEU A 21 -17.005 7.841 7.375 1.00 0.00 C ATOM 0 H LEU A 21 -12.185 6.816 7.064 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.265 4.790 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.189 7.231 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.686 7.715 6.419 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.536 5.848 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.291 5.786 9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.672 5.071 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.848 6.708 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -18.037 7.605 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.624 8.600 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.964 8.219 6.354 1.00 0.00 H new ATOM 304 N GLU A 22 -15.042 4.890 4.565 1.00 0.00 N ATOM 305 CA GLU A 22 -15.321 4.766 3.139 1.00 0.00 C ATOM 306 C GLU A 22 -15.514 6.139 2.501 1.00 0.00 C ATOM 307 O GLU A 22 -15.667 7.142 3.195 1.00 0.00 O ATOM 308 CB GLU A 22 -16.567 3.907 2.913 1.00 0.00 C ATOM 309 CG GLU A 22 -17.871 4.663 3.107 1.00 0.00 C ATOM 310 CD GLU A 22 -19.072 3.900 2.582 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.113 3.625 1.365 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.970 3.579 3.388 1.00 0.00 O ATOM 0 H GLU A 22 -15.637 4.317 5.163 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.465 4.283 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.539 3.501 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.543 3.059 3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.012 4.870 4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.807 5.626 2.600 1.00 0.00 H new ATOM 319 N GLY A 23 -15.504 6.174 1.171 1.00 0.00 N ATOM 320 CA GLY A 23 -15.678 7.427 0.461 1.00 0.00 C ATOM 321 C GLY A 23 -14.531 8.390 0.694 1.00 0.00 C ATOM 322 O GLY A 23 -14.734 9.600 0.780 1.00 0.00 O ATOM 0 H GLY A 23 -15.378 5.357 0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.769 7.226 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.610 7.894 0.778 1.00 0.00 H new ATOM 326 N GLY A 24 -13.320 7.851 0.798 1.00 0.00 N ATOM 327 CA GLY A 24 -12.153 8.684 1.024 1.00 0.00 C ATOM 328 C GLY A 24 -10.923 8.168 0.304 1.00 0.00 C ATOM 329 O GLY A 24 -11.024 7.613 -0.790 1.00 0.00 O ATOM 0 H GLY A 24 -13.126 6.852 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.366 9.700 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.949 8.736 2.094 1.00 0.00 H new ATOM 333 N ALA A 25 -9.759 8.353 0.917 1.00 0.00 N ATOM 334 CA ALA A 25 -8.505 7.902 0.328 1.00 0.00 C ATOM 335 C ALA A 25 -7.562 7.357 1.395 1.00 0.00 C ATOM 336 O ALA A 25 -7.516 7.865 2.515 1.00 0.00 O ATOM 337 CB ALA A 25 -7.841 9.039 -0.436 1.00 0.00 C ATOM 0 H ALA A 25 -9.658 8.813 1.822 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.729 7.094 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.905 8.688 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.505 9.380 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.637 9.865 0.245 1.00 0.00 H new ATOM 343 N ALA A 26 -6.810 6.319 1.040 1.00 0.00 N ATOM 344 CA ALA A 26 -5.867 5.707 1.967 1.00 0.00 C ATOM 345 C ALA A 26 -4.434 5.847 1.465 1.00 0.00 C ATOM 346 O ALA A 26 -4.069 5.287 0.431 1.00 0.00 O ATOM 347 CB ALA A 26 -6.213 4.240 2.179 1.00 0.00 C ATOM 0 H ALA A 26 -6.836 5.885 0.117 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.942 6.229 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.501 3.795 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.219 4.159 2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.167 3.714 1.225 1.00 0.00 H new ATOM 353 N THR A 27 -3.625 6.600 2.203 1.00 0.00 N ATOM 354 CA THR A 27 -2.232 6.816 1.832 1.00 0.00 C ATOM 355 C THR A 27 -1.295 5.994 2.710 1.00 0.00 C ATOM 356 O THR A 27 -1.072 6.323 3.876 1.00 0.00 O ATOM 357 CB THR A 27 -1.846 8.303 1.940 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.840 9.115 1.305 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.490 8.558 1.299 1.00 0.00 C ATOM 0 H THR A 27 -3.911 7.071 3.062 1.00 0.00 H new ATOM 0 HA THR A 27 -2.128 6.496 0.795 1.00 0.00 H new ATOM 0 HB THR A 27 -1.786 8.564 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.588 10.059 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.239 9.615 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.269 7.961 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.528 8.281 0.245 1.00 0.00 H new ATOM 367 N LEU A 28 -0.748 4.924 2.144 1.00 0.00 N ATOM 368 CA LEU A 28 0.166 4.054 2.876 1.00 0.00 C ATOM 369 C LEU A 28 1.611 4.506 2.692 1.00 0.00 C ATOM 370 O LEU A 28 1.966 5.083 1.664 1.00 0.00 O ATOM 371 CB LEU A 28 0.009 2.607 2.408 1.00 0.00 C ATOM 372 CG LEU A 28 -1.407 2.032 2.467 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.261 2.602 1.345 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.369 0.513 2.391 1.00 0.00 C ATOM 0 H LEU A 28 -0.921 4.638 1.180 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.083 4.115 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.365 2.538 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.661 1.978 3.014 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.855 2.317 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.265 2.182 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.315 3.686 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.816 2.347 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.385 0.121 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.902 0.207 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.793 0.121 3.229 1.00 0.00 H new ATOM 386 N ARG A 29 2.442 4.238 3.695 1.00 0.00 N ATOM 387 CA ARG A 29 3.849 4.616 3.643 1.00 0.00 C ATOM 388 C ARG A 29 4.730 3.512 4.220 1.00 0.00 C ATOM 389 O ARG A 29 4.297 2.744 5.080 1.00 0.00 O ATOM 390 CB ARG A 29 4.077 5.920 4.411 1.00 0.00 C ATOM 391 CG ARG A 29 3.876 7.167 3.567 1.00 0.00 C ATOM 392 CD ARG A 29 4.064 8.433 4.389 1.00 0.00 C ATOM 393 NE ARG A 29 3.476 9.601 3.738 1.00 0.00 N ATOM 394 CZ ARG A 29 2.168 9.806 3.638 1.00 0.00 C ATOM 395 NH1 ARG A 29 1.315 8.926 4.145 1.00 0.00 N ATOM 396 NH2 ARG A 29 1.710 10.893 3.031 1.00 0.00 N ATOM 0 H ARG A 29 2.165 3.761 4.553 1.00 0.00 H new ATOM 0 HA ARG A 29 4.121 4.765 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.397 5.954 5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.090 5.923 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.582 7.163 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.875 7.158 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.610 8.298 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.128 8.605 4.551 1.00 0.00 H new ATOM 0 HE ARG A 29 4.105 10.297 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.663 8.089 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.311 9.086 4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.363 11.572 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.705 11.049 2.955 1.00 0.00 H new ATOM 410 N CYS A 30 5.967 3.439 3.742 1.00 0.00 N ATOM 411 CA CYS A 30 6.909 2.428 4.209 1.00 0.00 C ATOM 412 C CYS A 30 8.336 2.791 3.812 1.00 0.00 C ATOM 413 O CYS A 30 8.582 3.266 2.703 1.00 0.00 O ATOM 414 CB CYS A 30 6.541 1.057 3.640 1.00 0.00 C ATOM 415 SG CYS A 30 6.570 0.974 1.835 1.00 0.00 S ATOM 0 H CYS A 30 6.341 4.068 3.031 1.00 0.00 H new ATOM 0 HA CYS A 30 6.853 2.388 5.297 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.231 0.313 4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.545 0.786 3.989 1.00 0.00 H new ATOM 0 HG CYS A 30 7.411 1.851 1.374 1.00 0.00 H new ATOM 421 N VAL A 31 9.275 2.564 4.726 1.00 0.00 N ATOM 422 CA VAL A 31 10.678 2.867 4.472 1.00 0.00 C ATOM 423 C VAL A 31 11.522 1.597 4.463 1.00 0.00 C ATOM 424 O VAL A 31 11.269 0.666 5.229 1.00 0.00 O ATOM 425 CB VAL A 31 11.242 3.838 5.526 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.712 4.123 5.257 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.436 5.128 5.547 1.00 0.00 C ATOM 0 H VAL A 31 9.089 2.171 5.649 1.00 0.00 H new ATOM 0 HA VAL A 31 10.727 3.339 3.491 1.00 0.00 H new ATOM 0 HB VAL A 31 11.161 3.369 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.093 4.811 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.276 3.191 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.821 4.571 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.848 5.802 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.484 5.603 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.398 4.904 5.792 1.00 0.00 H new ATOM 437 N LEU A 32 12.525 1.566 3.593 1.00 0.00 N ATOM 438 CA LEU A 32 13.408 0.410 3.485 1.00 0.00 C ATOM 439 C LEU A 32 14.802 0.738 4.008 1.00 0.00 C ATOM 440 O LEU A 32 15.204 1.901 4.044 1.00 0.00 O ATOM 441 CB LEU A 32 13.493 -0.057 2.030 1.00 0.00 C ATOM 442 CG LEU A 32 12.159 -0.307 1.326 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.613 0.987 0.743 1.00 0.00 C ATOM 444 CD2 LEU A 32 12.318 -1.359 0.238 1.00 0.00 C ATOM 0 H LEU A 32 12.747 2.328 2.952 1.00 0.00 H new ATOM 0 HA LEU A 32 12.992 -0.392 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.047 0.690 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.076 -0.978 1.998 1.00 0.00 H new ATOM 0 HG LEU A 32 11.446 -0.680 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.663 0.790 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.460 1.711 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.324 1.389 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.358 -1.524 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.046 -1.015 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.663 -2.293 0.682 1.00 0.00 H new ATOM 456 N SER A 33 15.536 -0.294 4.410 1.00 0.00 N ATOM 457 CA SER A 33 16.886 -0.115 4.933 1.00 0.00 C ATOM 458 C SER A 33 17.746 0.680 3.955 1.00 0.00 C ATOM 459 O SER A 33 18.592 1.477 4.361 1.00 0.00 O ATOM 460 CB SER A 33 17.532 -1.473 5.211 1.00 0.00 C ATOM 461 OG SER A 33 18.890 -1.324 5.589 1.00 0.00 O ATOM 0 H SER A 33 15.219 -1.263 4.384 1.00 0.00 H new ATOM 0 HA SER A 33 16.817 0.444 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.985 -1.984 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.465 -2.100 4.322 1.00 0.00 H new ATOM 0 HG SER A 33 19.280 -2.206 5.763 1.00 0.00 H new ATOM 467 N SER A 34 17.524 0.456 2.664 1.00 0.00 N ATOM 468 CA SER A 34 18.280 1.147 1.626 1.00 0.00 C ATOM 469 C SER A 34 17.358 1.629 0.511 1.00 0.00 C ATOM 470 O SER A 34 16.172 1.299 0.484 1.00 0.00 O ATOM 471 CB SER A 34 19.357 0.226 1.051 1.00 0.00 C ATOM 472 OG SER A 34 20.105 -0.391 2.084 1.00 0.00 O ATOM 0 H SER A 34 16.826 -0.199 2.312 1.00 0.00 H new ATOM 0 HA SER A 34 18.759 2.016 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.892 -0.538 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.024 0.799 0.407 1.00 0.00 H new ATOM 0 HG SER A 34 20.786 -0.976 1.690 1.00 0.00 H new ATOM 478 N VAL A 35 17.911 2.411 -0.411 1.00 0.00 N ATOM 479 CA VAL A 35 17.140 2.937 -1.530 1.00 0.00 C ATOM 480 C VAL A 35 17.230 2.015 -2.741 1.00 0.00 C ATOM 481 O VAL A 35 18.252 1.968 -3.424 1.00 0.00 O ATOM 482 CB VAL A 35 17.623 4.343 -1.933 1.00 0.00 C ATOM 483 CG1 VAL A 35 16.611 5.014 -2.849 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.881 5.192 -0.697 1.00 0.00 C ATOM 0 H VAL A 35 18.891 2.694 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 35 16.103 2.998 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 35 18.561 4.243 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.970 6.006 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.481 4.414 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.656 5.104 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.222 6.182 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.960 5.286 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.646 4.717 -0.083 1.00 0.00 H new ATOM 494 N ALA A 36 16.151 1.284 -3.002 1.00 0.00 N ATOM 495 CA ALA A 36 16.106 0.364 -4.132 1.00 0.00 C ATOM 496 C ALA A 36 14.773 0.461 -4.866 1.00 0.00 C ATOM 497 O ALA A 36 13.710 0.448 -4.245 1.00 0.00 O ATOM 498 CB ALA A 36 16.351 -1.062 -3.662 1.00 0.00 C ATOM 0 H ALA A 36 15.296 1.311 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 36 16.895 0.645 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.315 -1.738 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.331 -1.126 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.583 -1.345 -2.942 1.00 0.00 H new ATOM 504 N ALA A 37 14.837 0.558 -6.189 1.00 0.00 N ATOM 505 CA ALA A 37 13.634 0.655 -7.007 1.00 0.00 C ATOM 506 C ALA A 37 13.929 0.303 -8.461 1.00 0.00 C ATOM 507 O ALA A 37 15.083 0.217 -8.883 1.00 0.00 O ATOM 508 CB ALA A 37 13.041 2.052 -6.910 1.00 0.00 C ATOM 0 H ALA A 37 15.709 0.572 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 37 12.907 -0.063 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.143 2.110 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.784 2.267 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.770 2.782 -7.262 1.00 0.00 H new ATOM 514 N PRO A 38 12.863 0.095 -9.248 1.00 0.00 N ATOM 515 CA PRO A 38 11.485 0.193 -8.758 1.00 0.00 C ATOM 516 C PRO A 38 11.126 -0.941 -7.804 1.00 0.00 C ATOM 517 O PRO A 38 11.913 -1.866 -7.601 1.00 0.00 O ATOM 518 CB PRO A 38 10.647 0.104 -10.035 1.00 0.00 C ATOM 519 CG PRO A 38 11.504 -0.641 -11.000 1.00 0.00 C ATOM 520 CD PRO A 38 12.921 -0.255 -10.678 1.00 0.00 C ATOM 0 HA PRO A 38 11.320 1.107 -8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.707 -0.418 -9.856 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.395 1.095 -10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.360 -1.717 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.252 -0.380 -12.028 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.613 -1.077 -10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.256 0.587 -11.284 1.00 0.00 H new ATOM 528 N VAL A 39 9.934 -0.864 -7.222 1.00 0.00 N ATOM 529 CA VAL A 39 9.470 -1.886 -6.291 1.00 0.00 C ATOM 530 C VAL A 39 8.253 -2.620 -6.843 1.00 0.00 C ATOM 531 O VAL A 39 7.542 -2.106 -7.707 1.00 0.00 O ATOM 532 CB VAL A 39 9.112 -1.277 -4.923 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.776 -2.372 -3.922 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.252 -0.409 -4.412 1.00 0.00 C ATOM 0 H VAL A 39 9.272 -0.104 -7.379 1.00 0.00 H new ATOM 0 HA VAL A 39 10.289 -2.593 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 39 8.231 -0.647 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.526 -1.922 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.925 -2.949 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.636 -3.031 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.982 0.013 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.151 -1.015 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.441 0.398 -5.120 1.00 0.00 H new ATOM 544 N LYS A 40 8.018 -3.826 -6.337 1.00 0.00 N ATOM 545 CA LYS A 40 6.885 -4.633 -6.776 1.00 0.00 C ATOM 546 C LYS A 40 5.798 -4.673 -5.707 1.00 0.00 C ATOM 547 O LYS A 40 6.033 -5.125 -4.587 1.00 0.00 O ATOM 548 CB LYS A 40 7.343 -6.055 -7.106 1.00 0.00 C ATOM 549 CG LYS A 40 6.450 -6.765 -8.108 1.00 0.00 C ATOM 550 CD LYS A 40 6.931 -8.181 -8.380 1.00 0.00 C ATOM 551 CE LYS A 40 6.165 -8.819 -9.528 1.00 0.00 C ATOM 552 NZ LYS A 40 6.829 -10.059 -10.017 1.00 0.00 N ATOM 0 H LYS A 40 8.597 -4.266 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 40 6.470 -4.174 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.359 -6.018 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.378 -6.639 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.428 -6.793 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.429 -6.202 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.995 -8.166 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.812 -8.786 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.152 -9.054 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.079 -8.106 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.276 -10.464 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.787 -9.831 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.889 -10.750 -9.242 1.00 0.00 H new ATOM 566 N TRP A 41 4.609 -4.198 -6.061 1.00 0.00 N ATOM 567 CA TRP A 41 3.486 -4.181 -5.132 1.00 0.00 C ATOM 568 C TRP A 41 2.577 -5.385 -5.354 1.00 0.00 C ATOM 569 O TRP A 41 2.503 -5.922 -6.460 1.00 0.00 O ATOM 570 CB TRP A 41 2.686 -2.887 -5.289 1.00 0.00 C ATOM 571 CG TRP A 41 3.285 -1.726 -4.554 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.420 -1.043 -4.886 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.780 -1.114 -3.362 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.651 -0.043 -3.972 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.659 -0.065 -3.028 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.670 -1.348 -2.546 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.461 0.745 -1.913 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.475 -0.544 -1.440 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.366 0.493 -1.132 1.00 0.00 C ATOM 0 H TRP A 41 4.398 -3.820 -6.985 1.00 0.00 H new ATOM 0 HA TRP A 41 3.885 -4.232 -4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.614 -2.639 -6.348 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.670 -3.050 -4.930 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.044 -1.257 -5.741 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.434 0.610 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.977 -2.144 -2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.147 1.544 -1.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.621 -0.717 -0.802 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.185 1.105 -0.261 1.00 0.00 H new ATOM 590 N CYS A 42 1.887 -5.803 -4.299 1.00 0.00 N ATOM 591 CA CYS A 42 0.983 -6.945 -4.380 1.00 0.00 C ATOM 592 C CYS A 42 -0.280 -6.697 -3.562 1.00 0.00 C ATOM 593 O CYS A 42 -0.211 -6.334 -2.388 1.00 0.00 O ATOM 594 CB CYS A 42 1.683 -8.213 -3.888 1.00 0.00 C ATOM 595 SG CYS A 42 0.649 -9.695 -3.941 1.00 0.00 S ATOM 0 H CYS A 42 1.936 -5.369 -3.377 1.00 0.00 H new ATOM 0 HA CYS A 42 0.698 -7.078 -5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.573 -8.382 -4.494 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.020 -8.055 -2.864 1.00 0.00 H new ATOM 0 HG CYS A 42 1.329 -10.715 -3.508 1.00 0.00 H new ATOM 601 N TYR A 43 -1.434 -6.894 -4.191 1.00 0.00 N ATOM 602 CA TYR A 43 -2.713 -6.687 -3.523 1.00 0.00 C ATOM 603 C TYR A 43 -3.584 -7.937 -3.615 1.00 0.00 C ATOM 604 O TYR A 43 -4.166 -8.226 -4.660 1.00 0.00 O ATOM 605 CB TYR A 43 -3.447 -5.495 -4.138 1.00 0.00 C ATOM 606 CG TYR A 43 -4.942 -5.521 -3.913 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.470 -5.553 -2.628 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.826 -5.514 -4.985 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.835 -5.578 -2.418 1.00 0.00 C ATOM 610 CE2 TYR A 43 -7.193 -5.538 -4.784 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.692 -5.571 -3.499 1.00 0.00 C ATOM 612 OH TYR A 43 -9.053 -5.594 -3.293 1.00 0.00 O ATOM 0 H TYR A 43 -1.509 -7.197 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.515 -6.480 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.041 -4.574 -3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.250 -5.472 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.802 -5.558 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.438 -5.489 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.229 -5.603 -1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.866 -5.531 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.515 -5.584 -4.157 1.00 0.00 H new ATOM 622 N GLY A 44 -3.667 -8.675 -2.512 1.00 0.00 N ATOM 623 CA GLY A 44 -4.468 -9.885 -2.488 1.00 0.00 C ATOM 624 C GLY A 44 -3.886 -10.983 -3.355 1.00 0.00 C ATOM 625 O GLY A 44 -3.111 -11.813 -2.880 1.00 0.00 O ATOM 0 H GLY A 44 -3.194 -8.457 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.550 -10.242 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.478 -9.655 -2.827 1.00 0.00 H new ATOM 629 N ASN A 45 -4.260 -10.991 -4.630 1.00 0.00 N ATOM 630 CA ASN A 45 -3.771 -11.998 -5.565 1.00 0.00 C ATOM 631 C ASN A 45 -3.116 -11.342 -6.777 1.00 0.00 C ATOM 632 O ASN A 45 -1.953 -11.599 -7.082 1.00 0.00 O ATOM 633 CB ASN A 45 -4.918 -12.903 -6.017 1.00 0.00 C ATOM 634 CG ASN A 45 -6.117 -12.116 -6.509 1.00 0.00 C ATOM 635 OD1 ASN A 45 -6.649 -11.264 -5.797 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.548 -12.398 -7.733 1.00 0.00 N ATOM 0 H ASN A 45 -4.900 -10.311 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.022 -12.602 -5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.567 -13.560 -6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.222 -13.542 -5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.351 -11.900 -8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.076 -13.112 -8.288 1.00 0.00 H new ATOM 643 N ASN A 46 -3.874 -10.493 -7.465 1.00 0.00 N ATOM 644 CA ASN A 46 -3.368 -9.801 -8.644 1.00 0.00 C ATOM 645 C ASN A 46 -2.264 -8.817 -8.266 1.00 0.00 C ATOM 646 O ASN A 46 -2.156 -8.403 -7.112 1.00 0.00 O ATOM 647 CB ASN A 46 -4.504 -9.061 -9.354 1.00 0.00 C ATOM 648 CG ASN A 46 -5.535 -10.009 -9.937 1.00 0.00 C ATOM 649 OD1 ASN A 46 -5.264 -11.194 -10.132 1.00 0.00 O ATOM 650 ND2 ASN A 46 -6.724 -9.489 -10.218 1.00 0.00 N ATOM 0 H ASN A 46 -4.840 -10.268 -7.226 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.950 -10.547 -9.320 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.991 -8.387 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.090 -8.444 -10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.458 -10.078 -10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.904 -8.501 -10.039 1.00 0.00 H new ATOM 657 N VAL A 47 -1.447 -8.447 -9.247 1.00 0.00 N ATOM 658 CA VAL A 47 -0.353 -7.511 -9.018 1.00 0.00 C ATOM 659 C VAL A 47 -0.778 -6.081 -9.331 1.00 0.00 C ATOM 660 O VAL A 47 -1.321 -5.804 -10.402 1.00 0.00 O ATOM 661 CB VAL A 47 0.879 -7.868 -9.871 1.00 0.00 C ATOM 662 CG1 VAL A 47 0.612 -7.579 -11.341 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.103 -7.107 -9.384 1.00 0.00 C ATOM 0 H VAL A 47 -1.522 -8.781 -10.208 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.089 -7.585 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 47 1.076 -8.935 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.493 -7.837 -11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.237 -8.173 -11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.388 -6.520 -11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.964 -7.371 -9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.919 -6.035 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.304 -7.368 -8.345 1.00 0.00 H new ATOM 673 N LEU A 48 -0.528 -5.176 -8.392 1.00 0.00 N ATOM 674 CA LEU A 48 -0.884 -3.772 -8.568 1.00 0.00 C ATOM 675 C LEU A 48 -0.012 -3.119 -9.635 1.00 0.00 C ATOM 676 O LEU A 48 1.188 -3.381 -9.717 1.00 0.00 O ATOM 677 CB LEU A 48 -0.740 -3.020 -7.244 1.00 0.00 C ATOM 678 CG LEU A 48 -1.753 -3.376 -6.155 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.451 -2.615 -4.874 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.170 -3.086 -6.629 1.00 0.00 C ATOM 0 H LEU A 48 -0.080 -5.389 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.923 -3.724 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.261 -3.201 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.815 -1.952 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.672 -4.443 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.183 -2.882 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.451 -2.873 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.502 -1.543 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.877 -3.345 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.264 -2.027 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.384 -3.678 -7.519 1.00 0.00 H new ATOM 692 N ARG A 49 -0.624 -2.265 -10.450 1.00 0.00 N ATOM 693 CA ARG A 49 0.097 -1.573 -11.511 1.00 0.00 C ATOM 694 C ARG A 49 -0.225 -0.081 -11.504 1.00 0.00 C ATOM 695 O ARG A 49 -1.350 0.335 -11.224 1.00 0.00 O ATOM 696 CB ARG A 49 -0.255 -2.175 -12.873 1.00 0.00 C ATOM 697 CG ARG A 49 -0.100 -3.686 -12.929 1.00 0.00 C ATOM 698 CD ARG A 49 0.238 -4.159 -14.334 1.00 0.00 C ATOM 699 NE ARG A 49 1.474 -3.560 -14.830 1.00 0.00 N ATOM 700 CZ ARG A 49 1.838 -3.578 -16.108 1.00 0.00 C ATOM 701 NH1 ARG A 49 1.064 -4.160 -17.013 1.00 0.00 N ATOM 702 NH2 ARG A 49 2.978 -3.011 -16.482 1.00 0.00 N ATOM 0 H ARG A 49 -1.617 -2.036 -10.395 1.00 0.00 H new ATOM 0 HA ARG A 49 1.165 -1.698 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.284 -1.914 -13.121 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.381 -1.724 -13.635 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.685 -3.998 -12.240 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.023 -4.160 -12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.334 -5.245 -14.338 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.582 -3.909 -15.008 1.00 0.00 H new ATOM 0 HE ARG A 49 2.092 -3.103 -14.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.186 -4.596 -16.729 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.346 -4.172 -17.993 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.575 -2.561 -15.788 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.257 -3.025 -17.463 1.00 0.00 H new ATOM 716 N PRO A 50 0.784 0.744 -11.819 1.00 0.00 N ATOM 717 CA PRO A 50 0.633 2.202 -11.856 1.00 0.00 C ATOM 718 C PRO A 50 -0.239 2.665 -13.018 1.00 0.00 C ATOM 719 O PRO A 50 -0.128 2.154 -14.132 1.00 0.00 O ATOM 720 CB PRO A 50 2.068 2.703 -12.031 1.00 0.00 C ATOM 721 CG PRO A 50 2.786 1.576 -12.689 1.00 0.00 C ATOM 722 CD PRO A 50 2.151 0.318 -12.164 1.00 0.00 C ATOM 0 HA PRO A 50 0.140 2.584 -10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.101 3.604 -12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.520 2.953 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.695 1.636 -13.774 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.851 1.602 -12.456 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.148 -0.474 -12.913 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.683 -0.068 -11.295 1.00 0.00 H new ATOM 730 N GLY A 51 -1.105 3.637 -12.752 1.00 0.00 N ATOM 731 CA GLY A 51 -1.983 4.153 -13.786 1.00 0.00 C ATOM 732 C GLY A 51 -2.870 5.276 -13.287 1.00 0.00 C ATOM 733 O GLY A 51 -2.391 6.372 -12.995 1.00 0.00 O ATOM 0 H GLY A 51 -1.215 4.077 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.383 4.513 -14.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.606 3.344 -14.166 1.00 0.00 H new ATOM 737 N ASP A 52 -4.167 5.005 -13.191 1.00 0.00 N ATOM 738 CA ASP A 52 -5.124 6.001 -12.724 1.00 0.00 C ATOM 739 C ASP A 52 -5.706 5.604 -11.371 1.00 0.00 C ATOM 740 O ASP A 52 -5.556 6.324 -10.383 1.00 0.00 O ATOM 741 CB ASP A 52 -6.249 6.176 -13.745 1.00 0.00 C ATOM 742 CG ASP A 52 -5.731 6.557 -15.118 1.00 0.00 C ATOM 743 OD1 ASP A 52 -5.350 5.646 -15.883 1.00 0.00 O ATOM 744 OD2 ASP A 52 -5.707 7.766 -15.428 1.00 0.00 O ATOM 0 H ASP A 52 -4.580 4.104 -13.430 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.597 6.948 -12.609 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.816 5.248 -13.819 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.938 6.944 -13.394 1.00 0.00 H new ATOM 749 N LYS A 53 -6.370 4.454 -11.333 1.00 0.00 N ATOM 750 CA LYS A 53 -6.975 3.960 -10.101 1.00 0.00 C ATOM 751 C LYS A 53 -5.984 4.027 -8.944 1.00 0.00 C ATOM 752 O LYS A 53 -6.304 4.535 -7.869 1.00 0.00 O ATOM 753 CB LYS A 53 -7.460 2.521 -10.289 1.00 0.00 C ATOM 754 CG LYS A 53 -8.576 2.126 -9.337 1.00 0.00 C ATOM 755 CD LYS A 53 -8.026 1.581 -8.030 1.00 0.00 C ATOM 756 CE LYS A 53 -9.034 1.724 -6.899 1.00 0.00 C ATOM 757 NZ LYS A 53 -8.764 0.766 -5.791 1.00 0.00 N ATOM 0 H LYS A 53 -6.503 3.846 -12.141 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.828 4.596 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.807 2.394 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.619 1.842 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.207 2.992 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.209 1.374 -9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.763 0.530 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.109 2.110 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.005 2.743 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.040 1.558 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.228 1.100 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.137 -0.171 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.738 0.699 -5.632 1.00 0.00 H new ATOM 771 N TYR A 54 -4.781 3.512 -9.171 1.00 0.00 N ATOM 772 CA TYR A 54 -3.744 3.512 -8.146 1.00 0.00 C ATOM 773 C TYR A 54 -2.656 4.531 -8.472 1.00 0.00 C ATOM 774 O TYR A 54 -2.599 5.061 -9.581 1.00 0.00 O ATOM 775 CB TYR A 54 -3.129 2.118 -8.012 1.00 0.00 C ATOM 776 CG TYR A 54 -4.141 1.036 -7.708 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.619 0.848 -6.417 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.619 0.203 -8.712 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.544 -0.140 -6.135 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.545 -0.785 -8.439 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.004 -0.953 -7.149 1.00 0.00 C ATOM 782 OH TYR A 54 -6.924 -1.938 -6.873 1.00 0.00 O ATOM 0 H TYR A 54 -4.500 3.089 -10.056 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.206 3.790 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.610 1.869 -8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.379 2.135 -7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.262 1.484 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.261 0.330 -9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.904 -0.274 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.908 -1.423 -9.232 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.144 -2.420 -7.697 1.00 0.00 H new ATOM 792 N SER A 55 -1.792 4.797 -7.497 1.00 0.00 N ATOM 793 CA SER A 55 -0.707 5.754 -7.678 1.00 0.00 C ATOM 794 C SER A 55 0.511 5.357 -6.850 1.00 0.00 C ATOM 795 O SER A 55 0.522 5.507 -5.628 1.00 0.00 O ATOM 796 CB SER A 55 -1.167 7.160 -7.287 1.00 0.00 C ATOM 797 OG SER A 55 -0.265 8.143 -7.763 1.00 0.00 O ATOM 0 H SER A 55 -1.823 4.363 -6.574 1.00 0.00 H new ATOM 0 HA SER A 55 -0.426 5.751 -8.731 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.161 7.347 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.248 7.231 -6.202 1.00 0.00 H new ATOM 0 HG SER A 55 -0.583 9.032 -7.501 1.00 0.00 H new ATOM 803 N LEU A 56 1.537 4.848 -7.525 1.00 0.00 N ATOM 804 CA LEU A 56 2.762 4.428 -6.853 1.00 0.00 C ATOM 805 C LEU A 56 3.937 5.310 -7.261 1.00 0.00 C ATOM 806 O LEU A 56 4.146 5.574 -8.446 1.00 0.00 O ATOM 807 CB LEU A 56 3.069 2.966 -7.179 1.00 0.00 C ATOM 808 CG LEU A 56 2.015 1.946 -6.747 1.00 0.00 C ATOM 809 CD1 LEU A 56 0.852 1.933 -7.727 1.00 0.00 C ATOM 810 CD2 LEU A 56 2.631 0.559 -6.630 1.00 0.00 C ATOM 0 H LEU A 56 1.545 4.716 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 56 2.612 4.531 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.212 2.877 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.016 2.701 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 56 1.636 2.237 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.112 1.201 -7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.394 2.922 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.216 1.667 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.866 -0.154 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.038 0.259 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.430 0.577 -5.889 1.00 0.00 H new ATOM 822 N ARG A 57 4.702 5.762 -6.274 1.00 0.00 N ATOM 823 CA ARG A 57 5.857 6.614 -6.531 1.00 0.00 C ATOM 824 C ARG A 57 7.039 6.207 -5.655 1.00 0.00 C ATOM 825 O ARG A 57 6.865 5.547 -4.631 1.00 0.00 O ATOM 826 CB ARG A 57 5.503 8.081 -6.277 1.00 0.00 C ATOM 827 CG ARG A 57 6.640 9.043 -6.580 1.00 0.00 C ATOM 828 CD ARG A 57 6.120 10.436 -6.899 1.00 0.00 C ATOM 829 NE ARG A 57 7.087 11.219 -7.665 1.00 0.00 N ATOM 830 CZ ARG A 57 7.199 11.158 -8.987 1.00 0.00 C ATOM 831 NH1 ARG A 57 6.409 10.355 -9.687 1.00 0.00 N ATOM 832 NH2 ARG A 57 8.103 11.901 -9.612 1.00 0.00 N ATOM 0 H ARG A 57 4.543 5.553 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 57 6.141 6.491 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.640 8.348 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.206 8.199 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.314 9.092 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.221 8.668 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.191 10.356 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.886 10.957 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 57 7.710 11.847 -7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.713 9.782 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.498 10.311 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.713 12.520 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.188 11.854 -10.627 1.00 0.00 H new ATOM 846 N GLN A 58 8.238 6.605 -6.066 1.00 0.00 N ATOM 847 CA GLN A 58 9.448 6.280 -5.319 1.00 0.00 C ATOM 848 C GLN A 58 10.187 7.547 -4.902 1.00 0.00 C ATOM 849 O GLN A 58 10.391 8.452 -5.710 1.00 0.00 O ATOM 850 CB GLN A 58 10.368 5.392 -6.159 1.00 0.00 C ATOM 851 CG GLN A 58 11.758 5.223 -5.567 1.00 0.00 C ATOM 852 CD GLN A 58 11.797 4.190 -4.458 1.00 0.00 C ATOM 853 OE1 GLN A 58 10.892 3.367 -4.328 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.851 4.229 -3.650 1.00 0.00 N ATOM 0 H GLN A 58 8.398 7.153 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 58 9.155 5.739 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.908 4.410 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.457 5.818 -7.158 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.452 4.931 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.102 6.181 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.579 4.929 -3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.932 3.559 -2.885 1.00 0.00 H new ATOM 863 N GLU A 59 10.585 7.603 -3.634 1.00 0.00 N ATOM 864 CA GLU A 59 11.300 8.761 -3.110 1.00 0.00 C ATOM 865 C GLU A 59 12.244 8.352 -1.983 1.00 0.00 C ATOM 866 O GLU A 59 11.808 8.054 -0.871 1.00 0.00 O ATOM 867 CB GLU A 59 10.311 9.814 -2.605 1.00 0.00 C ATOM 868 CG GLU A 59 10.919 11.198 -2.456 1.00 0.00 C ATOM 869 CD GLU A 59 9.870 12.289 -2.366 1.00 0.00 C ATOM 870 OE1 GLU A 59 8.982 12.332 -3.243 1.00 0.00 O ATOM 871 OE2 GLU A 59 9.938 13.101 -1.419 1.00 0.00 O ATOM 0 H GLU A 59 10.425 6.861 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 59 11.891 9.188 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.468 9.869 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.914 9.495 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.542 11.223 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.573 11.397 -3.305 1.00 0.00 H new ATOM 878 N GLY A 60 13.540 8.341 -2.279 1.00 0.00 N ATOM 879 CA GLY A 60 14.525 7.967 -1.282 1.00 0.00 C ATOM 880 C GLY A 60 14.017 6.896 -0.337 1.00 0.00 C ATOM 881 O GLY A 60 13.733 7.171 0.829 1.00 0.00 O ATOM 0 H GLY A 60 13.925 8.584 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.425 7.609 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.809 8.849 -0.708 1.00 0.00 H new ATOM 885 N ALA A 61 13.899 5.672 -0.840 1.00 0.00 N ATOM 886 CA ALA A 61 13.421 4.557 -0.033 1.00 0.00 C ATOM 887 C ALA A 61 12.102 4.900 0.652 1.00 0.00 C ATOM 888 O ALA A 61 11.950 4.706 1.858 1.00 0.00 O ATOM 889 CB ALA A 61 14.468 4.166 1.000 1.00 0.00 C ATOM 0 H ALA A 61 14.128 5.427 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 61 13.246 3.710 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.098 3.332 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.387 3.870 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.671 5.016 1.652 1.00 0.00 H new ATOM 895 N MET A 62 11.153 5.411 -0.125 1.00 0.00 N ATOM 896 CA MET A 62 9.847 5.781 0.408 1.00 0.00 C ATOM 897 C MET A 62 8.752 5.550 -0.628 1.00 0.00 C ATOM 898 O MET A 62 8.696 6.235 -1.651 1.00 0.00 O ATOM 899 CB MET A 62 9.848 7.246 0.849 1.00 0.00 C ATOM 900 CG MET A 62 8.902 7.534 2.003 1.00 0.00 C ATOM 901 SD MET A 62 9.014 9.237 2.584 1.00 0.00 S ATOM 902 CE MET A 62 9.965 9.019 4.087 1.00 0.00 C ATOM 0 H MET A 62 11.264 5.578 -1.125 1.00 0.00 H new ATOM 0 HA MET A 62 9.643 5.150 1.273 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.860 7.529 1.140 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.574 7.873 0.000 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.879 7.328 1.689 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.125 6.857 2.828 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.119 9.987 4.564 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.425 8.361 4.767 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.931 8.576 3.845 1.00 0.00 H new ATOM 912 N LEU A 63 7.882 4.583 -0.359 1.00 0.00 N ATOM 913 CA LEU A 63 6.788 4.262 -1.268 1.00 0.00 C ATOM 914 C LEU A 63 5.458 4.766 -0.719 1.00 0.00 C ATOM 915 O LEU A 63 5.166 4.611 0.466 1.00 0.00 O ATOM 916 CB LEU A 63 6.717 2.751 -1.500 1.00 0.00 C ATOM 917 CG LEU A 63 7.925 2.122 -2.194 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.327 2.938 -3.413 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.092 1.997 -1.226 1.00 0.00 C ATOM 0 H LEU A 63 7.913 4.007 0.482 1.00 0.00 H new ATOM 0 HA LEU A 63 6.980 4.761 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.581 2.261 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.829 2.536 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 63 7.647 1.122 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.189 2.474 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.495 2.975 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.586 3.951 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.943 1.547 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.370 2.986 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.801 1.368 -0.385 1.00 0.00 H new ATOM 931 N GLU A 64 4.654 5.368 -1.590 1.00 0.00 N ATOM 932 CA GLU A 64 3.353 5.894 -1.192 1.00 0.00 C ATOM 933 C GLU A 64 2.261 5.428 -2.150 1.00 0.00 C ATOM 934 O GLU A 64 2.208 5.854 -3.304 1.00 0.00 O ATOM 935 CB GLU A 64 3.389 7.423 -1.147 1.00 0.00 C ATOM 936 CG GLU A 64 2.087 8.048 -0.675 1.00 0.00 C ATOM 937 CD GLU A 64 2.098 9.562 -0.771 1.00 0.00 C ATOM 938 OE1 GLU A 64 2.935 10.194 -0.094 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.268 10.113 -1.524 1.00 0.00 O ATOM 0 H GLU A 64 4.880 5.504 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 64 3.125 5.513 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.195 7.740 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.625 7.802 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.263 7.656 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.901 7.754 0.358 1.00 0.00 H new ATOM 946 N LEU A 65 1.391 4.550 -1.664 1.00 0.00 N ATOM 947 CA LEU A 65 0.300 4.024 -2.476 1.00 0.00 C ATOM 948 C LEU A 65 -1.022 4.692 -2.110 1.00 0.00 C ATOM 949 O LEU A 65 -1.499 4.571 -0.982 1.00 0.00 O ATOM 950 CB LEU A 65 0.186 2.509 -2.294 1.00 0.00 C ATOM 951 CG LEU A 65 -1.116 1.871 -2.779 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.008 1.485 -4.246 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.462 0.656 -1.930 1.00 0.00 C ATOM 0 H LEU A 65 1.420 4.187 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 65 0.520 4.243 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.016 2.037 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.307 2.280 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.917 2.603 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.944 1.033 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.807 2.375 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.195 0.770 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.392 0.214 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.660 -0.078 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.583 0.961 -0.891 1.00 0.00 H new ATOM 965 N VAL A 66 -1.611 5.394 -3.073 1.00 0.00 N ATOM 966 CA VAL A 66 -2.879 6.079 -2.853 1.00 0.00 C ATOM 967 C VAL A 66 -4.029 5.331 -3.518 1.00 0.00 C ATOM 968 O VAL A 66 -3.898 4.836 -4.637 1.00 0.00 O ATOM 969 CB VAL A 66 -2.840 7.521 -3.392 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.140 8.245 -3.077 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.648 8.272 -2.817 1.00 0.00 C ATOM 0 H VAL A 66 -1.230 5.503 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.041 6.107 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.728 7.483 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.093 9.262 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.972 7.717 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.287 8.276 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.636 9.289 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.727 8.302 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.726 7.763 -3.100 1.00 0.00 H new ATOM 981 N VAL A 67 -5.158 5.252 -2.820 1.00 0.00 N ATOM 982 CA VAL A 67 -6.334 4.565 -3.343 1.00 0.00 C ATOM 983 C VAL A 67 -7.578 5.439 -3.226 1.00 0.00 C ATOM 984 O VAL A 67 -8.008 5.778 -2.124 1.00 0.00 O ATOM 985 CB VAL A 67 -6.582 3.236 -2.605 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.855 2.575 -3.110 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.388 2.307 -2.768 1.00 0.00 C ATOM 0 H VAL A 67 -5.283 5.655 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.138 4.357 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.708 3.447 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.014 1.637 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.702 3.239 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.762 2.375 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.579 1.373 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.230 2.100 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.498 2.782 -2.354 1.00 0.00 H new ATOM 997 N ARG A 68 -8.151 5.799 -4.370 1.00 0.00 N ATOM 998 CA ARG A 68 -9.346 6.634 -4.395 1.00 0.00 C ATOM 999 C ARG A 68 -10.607 5.776 -4.441 1.00 0.00 C ATOM 1000 O ARG A 68 -10.551 4.588 -4.754 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.311 7.574 -5.602 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.310 8.709 -5.461 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.914 9.896 -4.728 1.00 0.00 C ATOM 1004 NE ARG A 68 -8.035 11.062 -4.758 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.984 11.919 -5.772 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.758 11.741 -6.834 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -7.158 12.956 -5.725 1.00 0.00 N ATOM 0 H ARG A 68 -7.807 5.526 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.364 7.228 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.070 6.997 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.305 7.994 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.431 8.356 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.973 9.023 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.872 10.152 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.114 9.619 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.427 11.228 -3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.394 10.945 -6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.717 12.400 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.561 13.096 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.120 13.613 -6.504 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.744 6.388 -4.127 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.020 5.681 -4.131 1.00 0.00 C ATOM 1023 C ASN A 69 -12.971 4.467 -3.208 1.00 0.00 C ATOM 1024 O ASN A 69 -13.295 3.351 -3.614 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.378 5.241 -5.552 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.086 6.316 -6.581 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -12.079 6.259 -7.286 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -13.969 7.304 -6.671 1.00 0.00 N ATOM 0 H ASN A 69 -11.808 7.372 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.787 6.363 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.818 4.340 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.436 4.980 -5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.826 8.056 -7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.790 7.311 -6.066 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.565 4.693 -1.963 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.475 3.619 -0.981 1.00 0.00 C ATOM 1037 C LEU A 70 -13.850 3.019 -0.701 1.00 0.00 C ATOM 1038 O LEU A 70 -14.855 3.730 -0.680 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.860 4.140 0.319 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.332 4.166 0.375 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.855 4.945 1.590 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.774 2.750 0.395 1.00 0.00 C ATOM 0 H LEU A 70 -12.293 5.611 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.835 2.838 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.227 5.152 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.223 3.524 1.142 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.964 4.668 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.765 4.952 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.224 5.969 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.234 4.473 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.685 2.788 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.151 2.223 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.086 2.223 -0.507 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.885 1.708 -0.485 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.136 1.014 -0.206 1.00 0.00 C ATOM 1056 C ARG A 71 -14.925 -0.092 0.824 1.00 0.00 C ATOM 1057 O ARG A 71 -13.840 -0.659 0.949 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.715 0.424 -1.493 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.499 1.300 -2.716 1.00 0.00 C ATOM 1060 CD ARG A 71 -15.549 0.487 -4.000 1.00 0.00 C ATOM 1061 NE ARG A 71 -16.821 -0.214 -4.155 1.00 0.00 N ATOM 1062 CZ ARG A 71 -17.226 -0.758 -5.297 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -16.462 -0.684 -6.378 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -18.397 -1.379 -5.359 1.00 0.00 N ATOM 0 H ARG A 71 -13.062 1.106 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.841 1.738 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.263 -0.552 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.784 0.260 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.262 2.078 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.535 1.802 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.393 1.147 -4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.734 -0.236 -4.003 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.432 -0.290 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.561 -0.208 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.775 -1.103 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.987 -1.439 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.707 -1.796 -6.237 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.988 -0.408 1.580 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.944 -1.448 2.612 1.00 0.00 C ATOM 1080 C PRO A 72 -15.827 -2.848 2.019 1.00 0.00 C ATOM 1081 O PRO A 72 -15.808 -3.840 2.747 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.282 -1.284 3.337 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.185 -0.660 2.330 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.313 0.227 1.485 1.00 0.00 C ATOM 0 HA PRO A 72 -15.076 -1.342 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.670 -2.245 3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.179 -0.654 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.675 -1.420 1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.973 -0.084 2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.664 0.272 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.296 1.250 1.861 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.749 -2.920 0.694 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.634 -4.200 0.005 1.00 0.00 C ATOM 1094 C GLN A 73 -14.203 -4.439 -0.463 1.00 0.00 C ATOM 1095 O GLN A 73 -13.780 -5.582 -0.640 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.588 -4.247 -1.190 1.00 0.00 C ATOM 1097 CG GLN A 73 -18.048 -4.053 -0.811 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.406 -2.595 -0.596 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -17.611 -1.700 -0.881 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -19.609 -2.350 -0.089 1.00 0.00 N ATOM 0 H GLN A 73 -15.763 -2.108 0.077 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.904 -4.988 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.301 -3.475 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.477 -5.206 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -18.681 -4.467 -1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.261 -4.614 0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -20.236 -3.123 0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.906 -1.389 0.079 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.461 -3.355 -0.662 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.076 -3.448 -1.109 1.00 0.00 C ATOM 1111 C ASP A 74 -11.161 -3.863 0.039 1.00 0.00 C ATOM 1112 O ASP A 74 -10.167 -4.558 -0.167 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.614 -2.109 -1.687 1.00 0.00 C ATOM 1114 CG ASP A 74 -12.693 -1.429 -2.507 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -13.375 -2.127 -3.287 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -12.857 -0.199 -2.367 1.00 0.00 O ATOM 0 H ASP A 74 -13.795 -2.402 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.021 -4.210 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.311 -1.450 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.735 -2.270 -2.311 1.00 0.00 H new ATOM 1121 N SER A 75 -11.504 -3.430 1.248 1.00 0.00 N ATOM 1122 CA SER A 75 -10.711 -3.753 2.429 1.00 0.00 C ATOM 1123 C SER A 75 -10.140 -5.164 2.331 1.00 0.00 C ATOM 1124 O SER A 75 -10.877 -6.132 2.148 1.00 0.00 O ATOM 1125 CB SER A 75 -11.563 -3.621 3.693 1.00 0.00 C ATOM 1126 OG SER A 75 -12.840 -4.206 3.511 1.00 0.00 O ATOM 0 H SER A 75 -12.325 -2.855 1.436 1.00 0.00 H new ATOM 0 HA SER A 75 -9.882 -3.048 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.055 -4.102 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.675 -2.568 3.951 1.00 0.00 H new ATOM 0 HG SER A 75 -12.746 -5.052 3.025 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.821 -5.272 2.455 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.172 -6.568 2.378 1.00 0.00 C ATOM 1134 C GLY A 76 -6.774 -6.552 2.961 1.00 0.00 C ATOM 1135 O GLY A 76 -6.542 -5.968 4.020 1.00 0.00 O ATOM 0 H GLY A 76 -8.190 -4.485 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.775 -7.305 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.124 -6.886 1.336 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.839 -7.198 2.271 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.456 -7.258 2.730 1.00 0.00 C ATOM 1141 C ARG A 77 -3.506 -6.725 1.661 1.00 0.00 C ATOM 1142 O ARG A 77 -3.321 -7.348 0.615 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.079 -8.695 3.093 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.630 -8.854 3.523 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.407 -10.168 4.256 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.099 -11.261 3.339 1.00 0.00 N ATOM 1147 CZ ARG A 77 -3.025 -11.972 2.705 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -4.311 -11.705 2.887 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -2.666 -12.952 1.885 1.00 0.00 N ATOM 0 H ARG A 77 -6.014 -7.687 1.393 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.366 -6.631 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.728 -9.040 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.267 -9.339 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.983 -8.810 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.348 -8.023 4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.590 -10.052 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.298 -10.418 4.831 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.119 -11.492 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.592 -10.952 3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.020 -12.253 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.678 -13.160 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.378 -13.497 1.399 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.906 -5.571 1.932 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.977 -4.954 0.993 1.00 0.00 C ATOM 1165 C TYR A 78 -0.534 -5.287 1.356 1.00 0.00 C ATOM 1166 O TYR A 78 -0.031 -4.866 2.398 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.173 -3.437 0.972 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.597 -3.014 0.692 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.583 -3.135 1.664 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.957 -2.491 -0.544 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.886 -2.750 1.412 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.257 -2.103 -0.805 1.00 0.00 C ATOM 1173 CZ TYR A 78 -6.218 -2.235 0.176 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.514 -1.849 -0.078 1.00 0.00 O ATOM 0 H TYR A 78 -3.046 -5.044 2.794 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.184 -5.354 0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.863 -3.026 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.519 -3.005 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.326 -3.537 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.207 -2.386 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.640 -2.852 2.178 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.519 -1.699 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.580 -1.507 -0.994 1.00 0.00 H new ATOM 1184 N SER A 79 0.128 -6.046 0.488 1.00 0.00 N ATOM 1185 CA SER A 79 1.513 -6.439 0.717 1.00 0.00 C ATOM 1186 C SER A 79 2.424 -5.879 -0.371 1.00 0.00 C ATOM 1187 O SER A 79 1.960 -5.474 -1.437 1.00 0.00 O ATOM 1188 CB SER A 79 1.632 -7.964 0.762 1.00 0.00 C ATOM 1189 OG SER A 79 0.982 -8.559 -0.347 1.00 0.00 O ATOM 0 H SER A 79 -0.273 -6.401 -0.380 1.00 0.00 H new ATOM 0 HA SER A 79 1.827 -6.028 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.684 -8.250 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.195 -8.339 1.688 1.00 0.00 H new ATOM 0 HG SER A 79 1.074 -9.533 -0.296 1.00 0.00 H new ATOM 1195 N CYS A 80 3.723 -5.859 -0.093 1.00 0.00 N ATOM 1196 CA CYS A 80 4.701 -5.347 -1.047 1.00 0.00 C ATOM 1197 C CYS A 80 5.863 -6.322 -1.210 1.00 0.00 C ATOM 1198 O CYS A 80 6.650 -6.525 -0.286 1.00 0.00 O ATOM 1199 CB CYS A 80 5.224 -3.984 -0.592 1.00 0.00 C ATOM 1200 SG CYS A 80 6.344 -3.192 -1.770 1.00 0.00 S ATOM 0 H CYS A 80 4.123 -6.191 0.784 1.00 0.00 H new ATOM 0 HA CYS A 80 4.206 -5.234 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.376 -3.323 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.741 -4.105 0.360 1.00 0.00 H new ATOM 0 HG CYS A 80 6.335 -3.853 -2.889 1.00 0.00 H new ATOM 1206 N SER A 81 5.962 -6.923 -2.391 1.00 0.00 N ATOM 1207 CA SER A 81 7.024 -7.881 -2.674 1.00 0.00 C ATOM 1208 C SER A 81 8.289 -7.168 -3.143 1.00 0.00 C ATOM 1209 O SER A 81 8.250 -6.352 -4.064 1.00 0.00 O ATOM 1210 CB SER A 81 6.567 -8.883 -3.737 1.00 0.00 C ATOM 1211 OG SER A 81 7.515 -9.924 -3.898 1.00 0.00 O ATOM 0 H SER A 81 5.320 -6.764 -3.167 1.00 0.00 H new ATOM 0 HA SER A 81 7.250 -8.417 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.603 -9.305 -3.453 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.422 -8.369 -4.687 1.00 0.00 H new ATOM 0 HG SER A 81 7.199 -10.552 -4.581 1.00 0.00 H new ATOM 1217 N PHE A 82 9.410 -7.482 -2.501 1.00 0.00 N ATOM 1218 CA PHE A 82 10.687 -6.871 -2.850 1.00 0.00 C ATOM 1219 C PHE A 82 11.850 -7.693 -2.303 1.00 0.00 C ATOM 1220 O PHE A 82 11.861 -8.072 -1.133 1.00 0.00 O ATOM 1221 CB PHE A 82 10.758 -5.442 -2.308 1.00 0.00 C ATOM 1222 CG PHE A 82 11.663 -4.544 -3.101 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.583 -4.503 -4.484 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.595 -3.740 -2.465 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.414 -3.678 -5.217 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.429 -2.912 -3.193 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.339 -2.882 -4.571 1.00 0.00 C ATOM 0 H PHE A 82 9.460 -8.156 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 82 10.764 -6.844 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.755 -5.016 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.103 -5.471 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.862 -5.124 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.671 -3.760 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.340 -3.656 -6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.150 -2.289 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.991 -2.237 -5.142 1.00 0.00 H new ATOM 1237 N GLY A 83 12.830 -7.965 -3.160 1.00 0.00 N ATOM 1238 CA GLY A 83 13.984 -8.741 -2.746 1.00 0.00 C ATOM 1239 C GLY A 83 13.602 -10.101 -2.197 1.00 0.00 C ATOM 1240 O GLY A 83 12.869 -10.854 -2.839 1.00 0.00 O ATOM 0 H GLY A 83 12.845 -7.662 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.654 -8.871 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.536 -8.188 -1.986 1.00 0.00 H new ATOM 1244 N ASP A 84 14.100 -10.418 -1.007 1.00 0.00 N ATOM 1245 CA ASP A 84 13.807 -11.698 -0.372 1.00 0.00 C ATOM 1246 C ASP A 84 12.773 -11.530 0.736 1.00 0.00 C ATOM 1247 O ASP A 84 12.103 -12.487 1.122 1.00 0.00 O ATOM 1248 CB ASP A 84 15.087 -12.314 0.197 1.00 0.00 C ATOM 1249 CG ASP A 84 14.823 -13.603 0.949 1.00 0.00 C ATOM 1250 OD1 ASP A 84 14.140 -14.487 0.391 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.301 -13.729 2.096 1.00 0.00 O ATOM 0 H ASP A 84 14.708 -9.807 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 84 13.397 -12.366 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.786 -12.508 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.566 -11.598 0.865 1.00 0.00 H new ATOM 1256 N GLN A 85 12.650 -10.308 1.244 1.00 0.00 N ATOM 1257 CA GLN A 85 11.698 -10.016 2.309 1.00 0.00 C ATOM 1258 C GLN A 85 10.421 -9.401 1.745 1.00 0.00 C ATOM 1259 O GLN A 85 10.466 -8.584 0.825 1.00 0.00 O ATOM 1260 CB GLN A 85 12.323 -9.069 3.335 1.00 0.00 C ATOM 1261 CG GLN A 85 13.570 -9.630 3.999 1.00 0.00 C ATOM 1262 CD GLN A 85 13.777 -9.092 5.401 1.00 0.00 C ATOM 1263 OE1 GLN A 85 14.827 -8.531 5.715 1.00 0.00 O ATOM 1264 NE2 GLN A 85 12.773 -9.260 6.254 1.00 0.00 N ATOM 0 H GLN A 85 13.197 -9.505 0.935 1.00 0.00 H new ATOM 0 HA GLN A 85 11.442 -10.955 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.574 -8.129 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.584 -8.840 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.498 -10.717 4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.441 -9.390 3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.920 -9.731 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.855 -8.918 7.212 1.00 0.00 H new ATOM 1273 N THR A 86 9.281 -9.801 2.302 1.00 0.00 N ATOM 1274 CA THR A 86 7.992 -9.291 1.853 1.00 0.00 C ATOM 1275 C THR A 86 7.155 -8.801 3.030 1.00 0.00 C ATOM 1276 O THR A 86 7.058 -9.471 4.059 1.00 0.00 O ATOM 1277 CB THR A 86 7.199 -10.365 1.086 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.964 -10.838 -0.028 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.870 -9.810 0.596 1.00 0.00 C ATOM 0 H THR A 86 9.225 -10.476 3.064 1.00 0.00 H new ATOM 0 HA THR A 86 8.198 -8.456 1.184 1.00 0.00 H new ATOM 0 HB THR A 86 7.000 -11.193 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.453 -11.522 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.328 -10.587 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.277 -9.479 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.051 -8.966 -0.070 1.00 0.00 H new ATOM 1287 N THR A 87 6.551 -7.627 2.872 1.00 0.00 N ATOM 1288 CA THR A 87 5.722 -7.047 3.921 1.00 0.00 C ATOM 1289 C THR A 87 4.240 -7.213 3.606 1.00 0.00 C ATOM 1290 O THR A 87 3.858 -7.398 2.451 1.00 0.00 O ATOM 1291 CB THR A 87 6.029 -5.551 4.117 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.322 -5.050 5.257 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.641 -4.752 2.882 1.00 0.00 C ATOM 0 H THR A 87 6.621 -7.059 2.027 1.00 0.00 H new ATOM 0 HA THR A 87 5.957 -7.582 4.841 1.00 0.00 H new ATOM 0 HB THR A 87 7.101 -5.442 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.795 -4.266 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.867 -3.698 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.203 -5.115 2.022 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.574 -4.869 2.693 1.00 0.00 H new ATOM 1301 N SER A 88 3.408 -7.145 4.641 1.00 0.00 N ATOM 1302 CA SER A 88 1.967 -7.291 4.475 1.00 0.00 C ATOM 1303 C SER A 88 1.215 -6.518 5.554 1.00 0.00 C ATOM 1304 O SER A 88 1.407 -6.750 6.747 1.00 0.00 O ATOM 1305 CB SER A 88 1.574 -8.769 4.522 1.00 0.00 C ATOM 1306 OG SER A 88 1.894 -9.342 5.778 1.00 0.00 O ATOM 0 H SER A 88 3.708 -6.990 5.603 1.00 0.00 H new ATOM 0 HA SER A 88 1.695 -6.881 3.502 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.505 -8.870 4.334 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.090 -9.311 3.729 1.00 0.00 H new ATOM 0 HG SER A 88 1.925 -8.639 6.460 1.00 0.00 H new ATOM 1312 N ALA A 89 0.356 -5.599 5.125 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.427 -4.793 6.053 1.00 0.00 C ATOM 1314 C ALA A 89 -1.922 -4.971 5.808 1.00 0.00 C ATOM 1315 O ALA A 89 -2.331 -5.599 4.831 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.041 -3.326 5.933 1.00 0.00 C ATOM 0 H ALA A 89 0.185 -5.394 4.140 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.208 -5.133 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.634 -2.736 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.017 -3.208 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.230 -2.982 4.916 1.00 0.00 H new ATOM 1322 N THR A 90 -2.734 -4.414 6.701 1.00 0.00 N ATOM 1323 CA THR A 90 -4.183 -4.513 6.583 1.00 0.00 C ATOM 1324 C THR A 90 -4.836 -3.139 6.667 1.00 0.00 C ATOM 1325 O THR A 90 -4.389 -2.272 7.419 1.00 0.00 O ATOM 1326 CB THR A 90 -4.775 -5.418 7.680 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.248 -6.744 7.559 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.293 -5.460 7.585 1.00 0.00 C ATOM 0 H THR A 90 -2.412 -3.889 7.514 1.00 0.00 H new ATOM 0 HA THR A 90 -4.392 -4.953 5.608 1.00 0.00 H new ATOM 0 HB THR A 90 -4.498 -5.005 8.650 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.628 -7.312 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.689 -6.105 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.693 -4.453 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.586 -5.852 6.611 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.897 -2.945 5.891 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.614 -1.675 5.878 1.00 0.00 C ATOM 1338 C LEU A 91 -8.083 -1.874 6.235 1.00 0.00 C ATOM 1339 O LEU A 91 -8.775 -2.695 5.631 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.497 -1.015 4.503 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.093 0.388 4.378 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.151 1.423 4.972 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.396 0.711 2.922 1.00 0.00 C ATOM 0 H LEU A 91 -6.280 -3.651 5.263 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.163 -1.024 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.442 -0.965 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.981 -1.660 3.770 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.028 0.416 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.592 2.415 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.986 1.202 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.199 1.395 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.819 1.713 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.476 0.665 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.110 -0.013 2.530 1.00 0.00 H new ATOM 1355 N THR A 92 -8.556 -1.117 7.220 1.00 0.00 N ATOM 1356 CA THR A 92 -9.943 -1.210 7.657 1.00 0.00 C ATOM 1357 C THR A 92 -10.776 -0.065 7.091 1.00 0.00 C ATOM 1358 O THR A 92 -10.472 1.107 7.315 1.00 0.00 O ATOM 1359 CB THR A 92 -10.050 -1.196 9.194 1.00 0.00 C ATOM 1360 OG1 THR A 92 -9.303 -2.285 9.747 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.502 -1.294 9.636 1.00 0.00 C ATOM 0 H THR A 92 -7.998 -0.432 7.730 1.00 0.00 H new ATOM 0 HA THR A 92 -10.330 -2.157 7.282 1.00 0.00 H new ATOM 0 HB THR A 92 -9.639 -0.254 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.375 -2.268 10.724 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.552 -1.282 10.725 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.062 -0.448 9.238 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.934 -2.222 9.263 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.828 -0.412 6.357 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.706 0.587 5.760 1.00 0.00 C ATOM 1371 C VAL A 93 -14.122 0.478 6.317 1.00 0.00 C ATOM 1372 O VAL A 93 -14.832 -0.493 6.052 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.757 0.446 4.227 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.619 1.541 3.618 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.352 0.474 3.644 1.00 0.00 C ATOM 0 H VAL A 93 -12.093 -1.377 6.161 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.293 1.563 6.014 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.209 -0.515 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.643 1.425 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.632 1.469 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.200 2.516 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.406 0.373 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.872 1.419 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.770 -0.350 4.057 1.00 0.00 H new ATOM 1385 N THR A 94 -14.527 1.481 7.090 1.00 0.00 N ATOM 1386 CA THR A 94 -15.857 1.498 7.684 1.00 0.00 C ATOM 1387 C THR A 94 -16.889 2.051 6.708 1.00 0.00 C ATOM 1388 O THR A 94 -16.584 2.925 5.897 1.00 0.00 O ATOM 1389 CB THR A 94 -15.885 2.338 8.975 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.771 1.996 9.807 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.182 2.116 9.738 1.00 0.00 C ATOM 0 H THR A 94 -13.952 2.292 7.319 1.00 0.00 H new ATOM 0 HA THR A 94 -16.108 0.465 7.926 1.00 0.00 H new ATOM 0 HB THR A 94 -15.821 3.390 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.795 2.536 10.625 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.178 2.720 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.026 2.406 9.113 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.272 1.063 10.003 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.112 1.537 6.793 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.190 1.983 5.918 1.00 0.00 C ATOM 1401 C ALA A 95 -19.994 3.104 6.566 1.00 0.00 C ATOM 1402 O ALA A 95 -20.525 2.946 7.667 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.099 0.815 5.564 1.00 0.00 C ATOM 0 H ALA A 95 -18.381 0.812 7.458 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.745 2.373 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.899 1.162 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.520 0.046 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.529 0.400 6.475 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.081 4.237 5.878 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.821 5.387 6.388 1.00 0.00 C ATOM 1411 C LEU A 96 -22.074 4.940 7.134 1.00 0.00 C ATOM 1412 O LEU A 96 -22.661 3.897 6.845 1.00 0.00 O ATOM 1413 CB LEU A 96 -21.204 6.321 5.239 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.055 7.094 4.591 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -20.372 7.403 3.136 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.773 8.376 5.361 1.00 0.00 C ATOM 0 H LEU A 96 -19.649 4.384 4.966 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.177 5.923 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.699 5.731 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.935 7.039 5.610 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.161 6.471 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.543 7.953 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.523 6.471 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.278 8.006 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.952 8.913 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.665 9.003 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.500 8.131 6.387 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.497 5.749 8.117 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.687 5.459 8.924 1.00 0.00 C ATOM 1430 C PRO A 97 -24.977 5.595 8.123 1.00 0.00 C ATOM 1431 O PRO A 97 -24.955 5.636 6.893 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.630 6.514 10.031 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.850 7.639 9.443 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.847 7.008 8.517 1.00 0.00 C ATOM 0 HA PRO A 97 -23.690 4.434 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.630 6.836 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.147 6.123 10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.502 8.325 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.353 8.218 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.639 7.644 7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.896 6.828 9.018 1.00 0.00 H new