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 42 CYS SG : rot -48:sc= 1.74 USER MOD Set 1.2: A 79 SER OG : rot 58:sc= 0.525 USER MOD Set 1.3: A 81 SER OG : rot 84:sc= 0.00371 USER MOD Single : A 12 GLN : amide:sc= -0.896 K(o=-0.9,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.05 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 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.97! C(o=-3!,f=-4.8!) USER MOD Single : A 62 MET CE :methyl -130:sc= -0.157 (180deg=-1.09) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 75 SER OG : rot -102:sc= 0.0528 USER MOD Single : A 78 TYR OH : rot 77:sc= 0.632 USER MOD Single : A 80 CYS SG : rot 37:sc= 0.823 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 70:sc= -4.14! USER MOD Single : A 88 SER OG : rot -140:sc= -1.72 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 16.666 -6.572 0.754 1.00 0.00 N ATOM 81 CA VAL A 9 16.156 -5.296 1.242 1.00 0.00 C ATOM 82 C VAL A 9 15.279 -5.489 2.473 1.00 0.00 C ATOM 83 O VAL A 9 14.115 -5.876 2.364 1.00 0.00 O ATOM 84 CB VAL A 9 15.345 -4.564 0.157 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.978 -3.162 0.618 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.124 -4.518 -1.149 1.00 0.00 C ATOM 0 HA VAL A 9 17.022 -4.690 1.508 1.00 0.00 H new ATOM 0 HB VAL A 9 14.421 -5.116 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 9 14.405 -2.661 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.378 -3.223 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.887 -2.596 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.536 -3.997 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 9 17.065 -3.990 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.330 -5.534 -1.486 1.00 0.00 H new ATOM 96 N ARG A 10 15.844 -5.217 3.645 1.00 0.00 N ATOM 97 CA ARG A 10 15.113 -5.362 4.898 1.00 0.00 C ATOM 98 C ARG A 10 13.957 -4.368 4.971 1.00 0.00 C ATOM 99 O ARG A 10 13.913 -3.395 4.218 1.00 0.00 O ATOM 100 CB ARG A 10 16.052 -5.156 6.088 1.00 0.00 C ATOM 101 CG ARG A 10 16.771 -6.423 6.523 1.00 0.00 C ATOM 102 CD ARG A 10 17.877 -6.798 5.548 1.00 0.00 C ATOM 103 NE ARG A 10 18.539 -8.043 5.926 1.00 0.00 N ATOM 104 CZ ARG A 10 17.967 -9.238 5.832 1.00 0.00 C ATOM 105 NH1 ARG A 10 16.727 -9.349 5.374 1.00 0.00 N ATOM 106 NH2 ARG A 10 18.635 -10.326 6.195 1.00 0.00 N ATOM 0 H ARG A 10 16.806 -4.895 3.753 1.00 0.00 H new ATOM 0 HA ARG A 10 14.705 -6.372 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.792 -4.399 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.479 -4.767 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.194 -6.280 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.056 -7.242 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.459 -6.899 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.612 -5.994 5.507 1.00 0.00 H new ATOM 0 HE ARG A 10 19.494 -7.992 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.211 -8.515 5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.290 -10.268 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.589 -10.245 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.194 -11.243 6.122 1.00 0.00 H new ATOM 120 N PHE A 11 13.023 -4.620 5.882 1.00 0.00 N ATOM 121 CA PHE A 11 11.867 -3.749 6.053 1.00 0.00 C ATOM 122 C PHE A 11 11.939 -3.003 7.382 1.00 0.00 C ATOM 123 O PHE A 11 11.408 -3.463 8.393 1.00 0.00 O ATOM 124 CB PHE A 11 10.573 -4.563 5.981 1.00 0.00 C ATOM 125 CG PHE A 11 10.016 -4.683 4.592 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.393 -3.604 3.986 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.117 -5.874 3.891 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.879 -3.712 2.707 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.605 -5.988 2.612 1.00 0.00 C ATOM 130 CZ PHE A 11 8.986 -4.905 2.019 1.00 0.00 C ATOM 0 H PHE A 11 13.044 -5.421 6.513 1.00 0.00 H new ATOM 0 HA PHE A 11 11.873 -3.017 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.759 -5.562 6.377 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.825 -4.099 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.308 -2.668 4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.602 -6.723 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.394 -2.864 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.689 -6.923 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.586 -4.991 1.019 1.00 0.00 H new ATOM 140 N GLN A 12 12.599 -1.850 7.372 1.00 0.00 N ATOM 141 CA GLN A 12 12.742 -1.041 8.577 1.00 0.00 C ATOM 142 C GLN A 12 11.378 -0.629 9.120 1.00 0.00 C ATOM 143 O GLN A 12 11.059 -0.884 10.281 1.00 0.00 O ATOM 144 CB GLN A 12 13.586 0.201 8.286 1.00 0.00 C ATOM 145 CG GLN A 12 14.122 0.879 9.536 1.00 0.00 C ATOM 146 CD GLN A 12 15.046 -0.018 10.336 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.351 -1.138 9.926 1.00 0.00 O ATOM 148 NE2 GLN A 12 15.499 0.471 11.485 1.00 0.00 N ATOM 0 H GLN A 12 13.043 -1.455 6.543 1.00 0.00 H new ATOM 0 HA GLN A 12 13.246 -1.644 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.424 -0.081 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.984 0.916 7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.657 1.785 9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.286 1.186 10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.221 1.405 11.787 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.125 -0.087 12.065 1.00 0.00 H new ATOM 157 N GLU A 13 10.578 0.011 8.273 1.00 0.00 N ATOM 158 CA GLU A 13 9.249 0.460 8.670 1.00 0.00 C ATOM 159 C GLU A 13 8.211 0.087 7.615 1.00 0.00 C ATOM 160 O GLU A 13 7.730 0.942 6.872 1.00 0.00 O ATOM 161 CB GLU A 13 9.243 1.974 8.893 1.00 0.00 C ATOM 162 CG GLU A 13 9.599 2.381 10.313 1.00 0.00 C ATOM 163 CD GLU A 13 8.408 2.334 11.250 1.00 0.00 C ATOM 164 OE1 GLU A 13 7.896 1.224 11.504 1.00 0.00 O ATOM 165 OE2 GLU A 13 7.988 3.408 11.729 1.00 0.00 O ATOM 0 H GLU A 13 10.827 0.230 7.308 1.00 0.00 H new ATOM 0 HA GLU A 13 8.989 -0.039 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.949 2.437 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.255 2.365 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.380 1.721 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.011 3.390 10.305 1.00 0.00 H new ATOM 172 N ALA A 14 7.872 -1.197 7.556 1.00 0.00 N ATOM 173 CA ALA A 14 6.890 -1.684 6.595 1.00 0.00 C ATOM 174 C ALA A 14 5.534 -1.021 6.810 1.00 0.00 C ATOM 175 O ALA A 14 5.381 -0.168 7.685 1.00 0.00 O ATOM 176 CB ALA A 14 6.762 -3.197 6.692 1.00 0.00 C ATOM 0 H ALA A 14 8.263 -1.918 8.162 1.00 0.00 H new ATOM 0 HA ALA A 14 7.237 -1.423 5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.025 -3.547 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.727 -3.658 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.442 -3.471 7.697 1.00 0.00 H new ATOM 182 N LEU A 15 4.553 -1.418 6.008 1.00 0.00 N ATOM 183 CA LEU A 15 3.208 -0.862 6.111 1.00 0.00 C ATOM 184 C LEU A 15 2.521 -1.331 7.389 1.00 0.00 C ATOM 185 O LEU A 15 2.634 -2.494 7.777 1.00 0.00 O ATOM 186 CB LEU A 15 2.374 -1.264 4.893 1.00 0.00 C ATOM 187 CG LEU A 15 3.046 -1.086 3.531 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.504 -2.097 2.532 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.845 0.332 3.018 1.00 0.00 C ATOM 0 H LEU A 15 4.663 -2.123 5.279 1.00 0.00 H new ATOM 0 HA LEU A 15 3.292 0.224 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.090 -2.311 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.453 -0.681 4.900 1.00 0.00 H new ATOM 0 HG LEU A 15 4.115 -1.260 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.994 -1.955 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.700 -3.107 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.429 -1.955 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.330 0.440 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.779 0.534 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.282 1.039 3.723 1.00 0.00 H new ATOM 201 N LYS A 16 1.806 -0.419 8.039 1.00 0.00 N ATOM 202 CA LYS A 16 1.097 -0.738 9.272 1.00 0.00 C ATOM 203 C LYS A 16 -0.407 -0.551 9.099 1.00 0.00 C ATOM 204 O LYS A 16 -0.858 0.061 8.131 1.00 0.00 O ATOM 205 CB LYS A 16 1.602 0.142 10.418 1.00 0.00 C ATOM 206 CG LYS A 16 2.938 -0.307 10.986 1.00 0.00 C ATOM 207 CD LYS A 16 2.765 -1.421 12.005 1.00 0.00 C ATOM 208 CE LYS A 16 4.058 -2.195 12.208 1.00 0.00 C ATOM 209 NZ LYS A 16 4.941 -1.546 13.217 1.00 0.00 N ATOM 0 H LYS A 16 1.702 0.548 7.732 1.00 0.00 H new ATOM 0 HA LYS A 16 1.291 -1.783 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.694 1.169 10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.860 0.146 11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.582 -0.650 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.439 0.541 11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.439 -0.999 12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.981 -2.101 11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.827 -3.211 12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.588 -2.273 11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.812 -2.104 13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.183 -0.585 12.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.446 -1.495 14.130 1.00 0.00 H new ATOM 223 N ASP A 17 -1.177 -1.080 10.044 1.00 0.00 N ATOM 224 CA ASP A 17 -2.630 -0.968 9.997 1.00 0.00 C ATOM 225 C ASP A 17 -3.058 0.484 9.812 1.00 0.00 C ATOM 226 O ASP A 17 -2.566 1.380 10.499 1.00 0.00 O ATOM 227 CB ASP A 17 -3.248 -1.536 11.275 1.00 0.00 C ATOM 228 CG ASP A 17 -2.799 -2.957 11.554 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.628 -3.143 11.943 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.619 -3.883 11.382 1.00 0.00 O ATOM 0 H ASP A 17 -0.819 -1.590 10.851 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.986 -1.544 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.978 -0.901 12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.335 -1.511 11.192 1.00 0.00 H new ATOM 235 N LEU A 18 -3.977 0.711 8.879 1.00 0.00 N ATOM 236 CA LEU A 18 -4.471 2.055 8.602 1.00 0.00 C ATOM 237 C LEU A 18 -5.942 2.184 8.984 1.00 0.00 C ATOM 238 O LEU A 18 -6.712 1.234 8.852 1.00 0.00 O ATOM 239 CB LEU A 18 -4.285 2.393 7.122 1.00 0.00 C ATOM 240 CG LEU A 18 -2.955 3.045 6.744 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.653 2.828 5.269 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.977 4.531 7.072 1.00 0.00 C ATOM 0 H LEU A 18 -4.395 -0.019 8.302 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.895 2.758 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.394 1.475 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.092 3.059 6.818 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.164 2.575 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.702 3.299 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.593 1.759 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.447 3.270 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.022 4.979 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.779 5.015 6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.146 4.665 8.140 1.00 0.00 H new ATOM 254 N GLU A 19 -6.324 3.366 9.456 1.00 0.00 N ATOM 255 CA GLU A 19 -7.703 3.619 9.856 1.00 0.00 C ATOM 256 C GLU A 19 -8.302 4.768 9.049 1.00 0.00 C ATOM 257 O GLU A 19 -7.897 5.921 9.196 1.00 0.00 O ATOM 258 CB GLU A 19 -7.774 3.940 11.350 1.00 0.00 C ATOM 259 CG GLU A 19 -9.170 3.807 11.936 1.00 0.00 C ATOM 260 CD GLU A 19 -9.213 4.123 13.418 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.228 5.322 13.768 1.00 0.00 O ATOM 262 OE2 GLU A 19 -9.232 3.172 14.228 1.00 0.00 O ATOM 0 H GLU A 19 -5.698 4.163 9.571 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.282 2.717 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.098 3.275 11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.417 4.957 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.848 4.476 11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.533 2.792 11.774 1.00 0.00 H new ATOM 269 N VAL A 20 -9.268 4.443 8.196 1.00 0.00 N ATOM 270 CA VAL A 20 -9.923 5.447 7.366 1.00 0.00 C ATOM 271 C VAL A 20 -11.413 5.155 7.224 1.00 0.00 C ATOM 272 O VAL A 20 -11.842 4.003 7.302 1.00 0.00 O ATOM 273 CB VAL A 20 -9.290 5.516 5.963 1.00 0.00 C ATOM 274 CG1 VAL A 20 -8.955 4.121 5.459 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.217 6.234 4.995 1.00 0.00 C ATOM 0 H VAL A 20 -9.614 3.493 8.062 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.789 6.407 7.865 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.362 6.084 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.509 4.190 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.250 3.647 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.866 3.525 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.754 6.273 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.163 5.696 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.400 7.248 5.351 1.00 0.00 H new ATOM 285 N LEU A 21 -12.198 6.206 7.015 1.00 0.00 N ATOM 286 CA LEU A 21 -13.642 6.064 6.862 1.00 0.00 C ATOM 287 C LEU A 21 -14.044 6.141 5.392 1.00 0.00 C ATOM 288 O LEU A 21 -13.413 6.843 4.603 1.00 0.00 O ATOM 289 CB LEU A 21 -14.369 7.148 7.659 1.00 0.00 C ATOM 290 CG LEU A 21 -15.841 6.879 7.971 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.257 7.596 9.246 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.721 7.307 6.806 1.00 0.00 C ATOM 0 H LEU A 21 -11.859 7.166 6.948 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.929 5.085 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.840 7.295 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.301 8.085 7.106 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.969 5.807 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.308 7.392 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.649 7.241 10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.113 8.669 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.765 7.108 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.588 8.373 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.441 6.747 5.914 1.00 0.00 H new ATOM 304 N GLU A 22 -15.099 5.416 5.034 1.00 0.00 N ATOM 305 CA GLU A 22 -15.585 5.405 3.659 1.00 0.00 C ATOM 306 C GLU A 22 -15.951 6.813 3.199 1.00 0.00 C ATOM 307 O GLU A 22 -16.773 7.486 3.819 1.00 0.00 O ATOM 308 CB GLU A 22 -16.801 4.484 3.532 1.00 0.00 C ATOM 309 CG GLU A 22 -17.502 4.583 2.188 1.00 0.00 C ATOM 310 CD GLU A 22 -18.928 4.071 2.235 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.674 4.478 3.150 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.299 3.264 1.357 1.00 0.00 O ATOM 0 H GLU A 22 -15.633 4.830 5.676 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.785 5.030 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.484 3.453 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.512 4.725 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.504 5.622 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.940 4.015 1.447 1.00 0.00 H new ATOM 319 N GLY A 23 -15.331 7.253 2.108 1.00 0.00 N ATOM 320 CA GLY A 23 -15.603 8.578 1.583 1.00 0.00 C ATOM 321 C GLY A 23 -14.348 9.418 1.451 1.00 0.00 C ATOM 322 O GLY A 23 -14.403 10.645 1.520 1.00 0.00 O ATOM 0 H GLY A 23 -14.645 6.715 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.081 8.488 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.310 9.087 2.238 1.00 0.00 H new ATOM 326 N GLY A 24 -13.211 8.755 1.261 1.00 0.00 N ATOM 327 CA GLY A 24 -11.953 9.464 1.124 1.00 0.00 C ATOM 328 C GLY A 24 -10.912 8.659 0.371 1.00 0.00 C ATOM 329 O GLY A 24 -11.240 7.927 -0.563 1.00 0.00 O ATOM 0 H GLY A 24 -13.139 7.739 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.125 10.406 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.570 9.712 2.114 1.00 0.00 H new ATOM 333 N ALA A 25 -9.654 8.795 0.776 1.00 0.00 N ATOM 334 CA ALA A 25 -8.562 8.074 0.133 1.00 0.00 C ATOM 335 C ALA A 25 -7.582 7.528 1.165 1.00 0.00 C ATOM 336 O ALA A 25 -7.354 8.145 2.205 1.00 0.00 O ATOM 337 CB ALA A 25 -7.842 8.979 -0.856 1.00 0.00 C ATOM 0 H ALA A 25 -9.365 9.398 1.547 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.987 7.229 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.029 8.428 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.544 9.315 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.436 9.843 -0.330 1.00 0.00 H new ATOM 343 N ALA A 26 -7.004 6.368 0.871 1.00 0.00 N ATOM 344 CA ALA A 26 -6.047 5.740 1.773 1.00 0.00 C ATOM 345 C ALA A 26 -4.649 5.721 1.164 1.00 0.00 C ATOM 346 O ALA A 26 -4.440 5.173 0.081 1.00 0.00 O ATOM 347 CB ALA A 26 -6.494 4.327 2.117 1.00 0.00 C ATOM 0 H ALA A 26 -7.182 5.844 0.014 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.008 6.330 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.770 3.870 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.470 4.362 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.564 3.735 1.204 1.00 0.00 H new ATOM 353 N THR A 27 -3.694 6.324 1.866 1.00 0.00 N ATOM 354 CA THR A 27 -2.317 6.377 1.393 1.00 0.00 C ATOM 355 C THR A 27 -1.374 5.678 2.366 1.00 0.00 C ATOM 356 O THR A 27 -1.122 6.172 3.465 1.00 0.00 O ATOM 357 CB THR A 27 -1.847 7.831 1.195 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.749 8.523 0.325 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.442 7.871 0.614 1.00 0.00 C ATOM 0 H THR A 27 -3.850 6.782 2.764 1.00 0.00 H new ATOM 0 HA THR A 27 -2.292 5.861 0.433 1.00 0.00 H new ATOM 0 HB THR A 27 -1.834 8.321 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.444 9.447 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.132 8.908 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.247 7.369 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.433 7.365 -0.351 1.00 0.00 H new ATOM 367 N LEU A 28 -0.855 4.527 1.954 1.00 0.00 N ATOM 368 CA LEU A 28 0.062 3.759 2.790 1.00 0.00 C ATOM 369 C LEU A 28 1.483 4.303 2.681 1.00 0.00 C ATOM 370 O LEU A 28 1.827 4.978 1.711 1.00 0.00 O ATOM 371 CB LEU A 28 0.036 2.284 2.388 1.00 0.00 C ATOM 372 CG LEU A 28 -1.348 1.642 2.276 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.978 1.964 0.930 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.256 0.137 2.479 1.00 0.00 C ATOM 0 H LEU A 28 -1.053 4.105 1.047 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.265 3.852 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.541 2.181 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.618 1.719 3.116 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.984 2.055 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.962 1.499 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.080 3.044 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.344 1.580 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.250 -0.303 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.604 -0.293 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.848 -0.072 3.468 1.00 0.00 H new ATOM 386 N ARG A 29 2.304 4.002 3.682 1.00 0.00 N ATOM 387 CA ARG A 29 3.688 4.460 3.698 1.00 0.00 C ATOM 388 C ARG A 29 4.601 3.411 4.326 1.00 0.00 C ATOM 389 O ARG A 29 4.208 2.712 5.261 1.00 0.00 O ATOM 390 CB ARG A 29 3.803 5.777 4.467 1.00 0.00 C ATOM 391 CG ARG A 29 3.621 7.009 3.595 1.00 0.00 C ATOM 392 CD ARG A 29 3.934 8.285 4.361 1.00 0.00 C ATOM 393 NE ARG A 29 3.063 8.456 5.520 1.00 0.00 N ATOM 394 CZ ARG A 29 3.222 9.416 6.424 1.00 0.00 C ATOM 395 NH1 ARG A 29 4.214 10.287 6.304 1.00 0.00 N ATOM 396 NH2 ARG A 29 2.387 9.506 7.452 1.00 0.00 N ATOM 0 H ARG A 29 2.035 3.443 4.492 1.00 0.00 H new ATOM 0 HA ARG A 29 4.003 4.620 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.056 5.791 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.780 5.823 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.271 6.938 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.596 7.047 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.973 8.265 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.826 9.142 3.697 1.00 0.00 H new ATOM 0 HE ARG A 29 2.290 7.802 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.858 10.221 5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.333 11.023 7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.623 8.838 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.510 10.244 8.146 1.00 0.00 H new ATOM 410 N CYS A 30 5.819 3.306 3.806 1.00 0.00 N ATOM 411 CA CYS A 30 6.787 2.341 4.315 1.00 0.00 C ATOM 412 C CYS A 30 8.200 2.701 3.869 1.00 0.00 C ATOM 413 O CYS A 30 8.437 2.996 2.697 1.00 0.00 O ATOM 414 CB CYS A 30 6.433 0.931 3.838 1.00 0.00 C ATOM 415 SG CYS A 30 6.448 0.735 2.041 1.00 0.00 S ATOM 0 H CYS A 30 6.160 3.877 3.032 1.00 0.00 H new ATOM 0 HA CYS A 30 6.751 2.368 5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.137 0.223 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.443 0.670 4.213 1.00 0.00 H new ATOM 0 HG CYS A 30 6.139 -0.490 1.736 1.00 0.00 H new ATOM 421 N VAL A 31 9.137 2.678 4.812 1.00 0.00 N ATOM 422 CA VAL A 31 10.527 3.003 4.517 1.00 0.00 C ATOM 423 C VAL A 31 11.386 1.745 4.461 1.00 0.00 C ATOM 424 O VAL A 31 11.367 0.926 5.381 1.00 0.00 O ATOM 425 CB VAL A 31 11.114 3.965 5.567 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.587 4.224 5.290 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.330 5.269 5.591 1.00 0.00 C ATOM 0 H VAL A 31 8.958 2.438 5.787 1.00 0.00 H new ATOM 0 HA VAL A 31 10.537 3.490 3.542 1.00 0.00 H new ATOM 0 HB VAL A 31 11.031 3.499 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.984 4.906 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.135 3.283 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.698 4.669 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.758 5.937 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.380 5.742 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.289 5.063 5.842 1.00 0.00 H new ATOM 437 N LEU A 32 12.138 1.596 3.376 1.00 0.00 N ATOM 438 CA LEU A 32 13.006 0.437 3.199 1.00 0.00 C ATOM 439 C LEU A 32 14.341 0.643 3.907 1.00 0.00 C ATOM 440 O LEU A 32 14.743 1.774 4.178 1.00 0.00 O ATOM 441 CB LEU A 32 13.240 0.173 1.711 1.00 0.00 C ATOM 442 CG LEU A 32 11.986 0.060 0.844 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.310 0.379 -0.607 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.379 -1.331 0.963 1.00 0.00 C ATOM 0 H LEU A 32 12.164 2.264 2.605 1.00 0.00 H new ATOM 0 HA LEU A 32 12.511 -0.427 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.861 0.976 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.810 -0.750 1.612 1.00 0.00 H new ATOM 0 HG LEU A 32 11.255 0.786 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.405 0.293 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.699 1.395 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.059 -0.322 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.487 -1.393 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.105 -2.074 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.109 -1.523 2.002 1.00 0.00 H new ATOM 456 N SER A 33 15.024 -0.458 4.203 1.00 0.00 N ATOM 457 CA SER A 33 16.314 -0.398 4.881 1.00 0.00 C ATOM 458 C SER A 33 17.376 0.219 3.975 1.00 0.00 C ATOM 459 O SER A 33 18.363 0.780 4.451 1.00 0.00 O ATOM 460 CB SER A 33 16.750 -1.798 5.316 1.00 0.00 C ATOM 461 OG SER A 33 17.730 -1.733 6.338 1.00 0.00 O ATOM 0 H SER A 33 14.706 -1.402 3.984 1.00 0.00 H new ATOM 0 HA SER A 33 16.204 0.232 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.885 -2.357 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.149 -2.341 4.459 1.00 0.00 H new ATOM 0 HG SER A 33 17.991 -2.641 6.599 1.00 0.00 H new ATOM 467 N SER A 34 17.165 0.110 2.668 1.00 0.00 N ATOM 468 CA SER A 34 18.105 0.654 1.694 1.00 0.00 C ATOM 469 C SER A 34 17.366 1.249 0.499 1.00 0.00 C ATOM 470 O SER A 34 16.280 0.796 0.137 1.00 0.00 O ATOM 471 CB SER A 34 19.068 -0.436 1.221 1.00 0.00 C ATOM 472 OG SER A 34 20.257 0.128 0.694 1.00 0.00 O ATOM 0 H SER A 34 16.352 -0.350 2.258 1.00 0.00 H new ATOM 0 HA SER A 34 18.674 1.447 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.313 -1.096 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.584 -1.048 0.460 1.00 0.00 H new ATOM 0 HG SER A 34 20.857 -0.589 0.400 1.00 0.00 H new ATOM 478 N VAL A 35 17.963 2.269 -0.110 1.00 0.00 N ATOM 479 CA VAL A 35 17.363 2.927 -1.265 1.00 0.00 C ATOM 480 C VAL A 35 17.511 2.075 -2.520 1.00 0.00 C ATOM 481 O VAL A 35 18.618 1.875 -3.020 1.00 0.00 O ATOM 482 CB VAL A 35 17.998 4.307 -1.516 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.144 5.121 -2.476 1.00 0.00 C ATOM 484 CG2 VAL A 35 18.194 5.050 -0.203 1.00 0.00 C ATOM 0 H VAL A 35 18.861 2.657 0.177 1.00 0.00 H new ATOM 0 HA VAL A 35 16.304 3.058 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 35 18.976 4.160 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.608 6.093 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.060 4.593 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.151 5.261 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.644 6.023 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.229 5.188 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.850 4.472 0.448 1.00 0.00 H new ATOM 494 N ALA A 36 16.388 1.576 -3.026 1.00 0.00 N ATOM 495 CA ALA A 36 16.392 0.748 -4.225 1.00 0.00 C ATOM 496 C ALA A 36 15.105 0.931 -5.023 1.00 0.00 C ATOM 497 O ALA A 36 14.057 1.253 -4.463 1.00 0.00 O ATOM 498 CB ALA A 36 16.583 -0.715 -3.856 1.00 0.00 C ATOM 0 H ALA A 36 15.464 1.731 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 36 17.226 1.065 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.584 -1.322 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.533 -0.838 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.769 -1.035 -3.206 1.00 0.00 H new ATOM 504 N ALA A 37 15.191 0.722 -6.332 1.00 0.00 N ATOM 505 CA ALA A 37 14.032 0.863 -7.206 1.00 0.00 C ATOM 506 C ALA A 37 14.369 0.449 -8.635 1.00 0.00 C ATOM 507 O ALA A 37 15.533 0.283 -9.001 1.00 0.00 O ATOM 508 CB ALA A 37 13.519 2.295 -7.176 1.00 0.00 C ATOM 0 H ALA A 37 16.051 0.454 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 37 13.248 0.201 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.654 2.385 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.231 2.557 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.305 2.970 -7.516 1.00 0.00 H new ATOM 514 N PRO A 38 13.328 0.277 -9.462 1.00 0.00 N ATOM 515 CA PRO A 38 11.938 0.471 -9.038 1.00 0.00 C ATOM 516 C PRO A 38 11.472 -0.611 -8.069 1.00 0.00 C ATOM 517 O PRO A 38 12.194 -1.571 -7.800 1.00 0.00 O ATOM 518 CB PRO A 38 11.152 0.389 -10.348 1.00 0.00 C ATOM 519 CG PRO A 38 12.005 -0.434 -11.251 1.00 0.00 C ATOM 520 CD PRO A 38 13.427 -0.121 -10.877 1.00 0.00 C ATOM 0 HA PRO A 38 11.803 1.411 -8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.176 -0.072 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.974 1.380 -10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.794 -1.496 -11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.814 -0.191 -12.296 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.076 -0.987 -11.006 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.837 0.680 -11.492 1.00 0.00 H new ATOM 528 N VAL A 39 10.261 -0.449 -7.546 1.00 0.00 N ATOM 529 CA VAL A 39 9.697 -1.412 -6.608 1.00 0.00 C ATOM 530 C VAL A 39 8.508 -2.143 -7.219 1.00 0.00 C ATOM 531 O VAL A 39 7.942 -1.704 -8.220 1.00 0.00 O ATOM 532 CB VAL A 39 9.250 -0.728 -5.302 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.594 -1.735 -4.370 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.432 -0.052 -4.624 1.00 0.00 C ATOM 0 H VAL A 39 9.651 0.341 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 39 10.484 -2.131 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 39 8.514 0.038 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.285 -1.234 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.721 -2.168 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.305 -2.525 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.098 0.426 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.193 -0.797 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.853 0.700 -5.291 1.00 0.00 H new ATOM 544 N LYS A 40 8.132 -3.263 -6.610 1.00 0.00 N ATOM 545 CA LYS A 40 7.007 -4.056 -7.091 1.00 0.00 C ATOM 546 C LYS A 40 5.855 -4.031 -6.092 1.00 0.00 C ATOM 547 O LYS A 40 6.066 -4.149 -4.885 1.00 0.00 O ATOM 548 CB LYS A 40 7.446 -5.500 -7.343 1.00 0.00 C ATOM 549 CG LYS A 40 6.596 -6.224 -8.373 1.00 0.00 C ATOM 550 CD LYS A 40 7.371 -7.343 -9.048 1.00 0.00 C ATOM 551 CE LYS A 40 6.440 -8.329 -9.737 1.00 0.00 C ATOM 552 NZ LYS A 40 7.055 -9.679 -9.862 1.00 0.00 N ATOM 0 H LYS A 40 8.591 -3.642 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 40 6.661 -3.618 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.484 -5.502 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.410 -6.051 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.709 -6.634 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.251 -5.514 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.060 -6.920 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.974 -7.868 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.510 -8.405 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.183 -7.954 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.389 -10.321 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.929 -9.612 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.277 -10.048 -8.915 1.00 0.00 H new ATOM 566 N TRP A 41 4.639 -3.877 -6.602 1.00 0.00 N ATOM 567 CA TRP A 41 3.454 -3.838 -5.753 1.00 0.00 C ATOM 568 C TRP A 41 2.484 -4.955 -6.120 1.00 0.00 C ATOM 569 O TRP A 41 2.123 -5.118 -7.287 1.00 0.00 O ATOM 570 CB TRP A 41 2.758 -2.481 -5.876 1.00 0.00 C ATOM 571 CG TRP A 41 3.250 -1.469 -4.885 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.226 -0.536 -5.084 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.789 -1.292 -3.541 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.401 0.212 -3.944 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.531 -0.232 -2.984 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.822 -1.924 -2.755 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.334 0.207 -1.677 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.628 -1.487 -1.459 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.380 -0.430 -0.930 1.00 0.00 C ATOM 0 H TRP A 41 4.447 -3.777 -7.599 1.00 0.00 H new ATOM 0 HA TRP A 41 3.772 -3.984 -4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.907 -2.094 -6.884 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.685 -2.618 -5.743 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.779 -0.405 -6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.070 0.974 -3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.237 -2.740 -3.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.913 1.021 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.883 -1.969 -0.843 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.204 -0.112 0.087 1.00 0.00 H new ATOM 590 N CYS A 42 2.065 -5.722 -5.120 1.00 0.00 N ATOM 591 CA CYS A 42 1.136 -6.825 -5.338 1.00 0.00 C ATOM 592 C CYS A 42 0.019 -6.810 -4.300 1.00 0.00 C ATOM 593 O CYS A 42 0.233 -6.428 -3.149 1.00 0.00 O ATOM 594 CB CYS A 42 1.878 -8.161 -5.287 1.00 0.00 C ATOM 595 SG CYS A 42 2.103 -8.817 -3.618 1.00 0.00 S ATOM 0 H CYS A 42 2.354 -5.600 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 42 0.690 -6.702 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.330 -8.892 -5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.856 -8.039 -5.753 1.00 0.00 H new ATOM 0 HG CYS A 42 2.554 -7.878 -2.840 1.00 0.00 H new ATOM 601 N TYR A 43 -1.172 -7.226 -4.714 1.00 0.00 N ATOM 602 CA TYR A 43 -2.324 -7.256 -3.821 1.00 0.00 C ATOM 603 C TYR A 43 -3.182 -8.491 -4.080 1.00 0.00 C ATOM 604 O TYR A 43 -3.890 -8.570 -5.083 1.00 0.00 O ATOM 605 CB TYR A 43 -3.166 -5.991 -3.997 1.00 0.00 C ATOM 606 CG TYR A 43 -4.630 -6.188 -3.676 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.076 -6.219 -2.361 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.568 -6.343 -4.689 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.413 -6.400 -2.063 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.908 -6.523 -4.401 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.325 -6.551 -3.087 1.00 0.00 C ATOM 612 OH TYR A 43 -8.657 -6.730 -2.795 1.00 0.00 O ATOM 0 H TYR A 43 -1.365 -7.547 -5.663 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.956 -7.300 -2.796 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.765 -5.206 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.072 -5.642 -5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.365 -6.099 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.245 -6.323 -5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.742 -6.423 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.624 -6.641 -5.201 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.165 -6.819 -3.628 1.00 0.00 H new ATOM 622 N GLY A 44 -3.113 -9.454 -3.166 1.00 0.00 N ATOM 623 CA GLY A 44 -3.888 -10.673 -3.312 1.00 0.00 C ATOM 624 C GLY A 44 -3.187 -11.706 -4.170 1.00 0.00 C ATOM 625 O GLY A 44 -2.276 -12.392 -3.708 1.00 0.00 O ATOM 0 H GLY A 44 -2.534 -9.412 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.083 -11.096 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.855 -10.434 -3.754 1.00 0.00 H new ATOM 629 N ASN A 45 -3.612 -11.820 -5.424 1.00 0.00 N ATOM 630 CA ASN A 45 -3.020 -12.779 -6.349 1.00 0.00 C ATOM 631 C ASN A 45 -2.315 -12.064 -7.497 1.00 0.00 C ATOM 632 O ASN A 45 -1.132 -12.289 -7.749 1.00 0.00 O ATOM 633 CB ASN A 45 -4.095 -13.718 -6.901 1.00 0.00 C ATOM 634 CG ASN A 45 -4.286 -14.949 -6.037 1.00 0.00 C ATOM 635 OD1 ASN A 45 -5.025 -14.922 -5.052 1.00 0.00 O ATOM 636 ND2 ASN A 45 -3.619 -16.038 -6.403 1.00 0.00 N ATOM 0 H ASN A 45 -4.365 -11.259 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.282 -13.365 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.040 -13.180 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.822 -14.025 -7.911 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.708 -16.897 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.018 -16.015 -7.227 1.00 0.00 H new ATOM 643 N ASN A 46 -3.051 -11.201 -8.191 1.00 0.00 N ATOM 644 CA ASN A 46 -2.496 -10.453 -9.313 1.00 0.00 C ATOM 645 C ASN A 46 -1.556 -9.356 -8.823 1.00 0.00 C ATOM 646 O ASN A 46 -1.578 -8.982 -7.650 1.00 0.00 O ATOM 647 CB ASN A 46 -3.621 -9.840 -10.150 1.00 0.00 C ATOM 648 CG ASN A 46 -4.148 -10.799 -11.200 1.00 0.00 C ATOM 649 OD1 ASN A 46 -4.932 -11.699 -10.897 1.00 0.00 O ATOM 650 ND2 ASN A 46 -3.719 -10.610 -12.442 1.00 0.00 N ATOM 0 H ASN A 46 -4.032 -11.003 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.926 -11.145 -9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.437 -9.540 -9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.256 -8.936 -10.638 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.039 -11.224 -13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.069 -9.851 -12.647 1.00 0.00 H new ATOM 657 N VAL A 47 -0.731 -8.842 -9.730 1.00 0.00 N ATOM 658 CA VAL A 47 0.216 -7.787 -9.392 1.00 0.00 C ATOM 659 C VAL A 47 -0.363 -6.410 -9.698 1.00 0.00 C ATOM 660 O VAL A 47 -0.973 -6.201 -10.748 1.00 0.00 O ATOM 661 CB VAL A 47 1.542 -7.956 -10.157 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.347 -7.658 -11.636 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.618 -7.061 -9.562 1.00 0.00 C ATOM 0 H VAL A 47 -0.700 -9.140 -10.705 1.00 0.00 H new ATOM 0 HA VAL A 47 0.410 -7.867 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 47 1.868 -8.991 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.294 -7.783 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.609 -8.345 -12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.997 -6.633 -11.758 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.548 -7.193 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.302 -6.020 -9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.776 -7.328 -8.517 1.00 0.00 H new ATOM 673 N LEU A 48 -0.167 -5.474 -8.777 1.00 0.00 N ATOM 674 CA LEU A 48 -0.669 -4.115 -8.948 1.00 0.00 C ATOM 675 C LEU A 48 0.152 -3.357 -9.987 1.00 0.00 C ATOM 676 O LEU A 48 1.355 -3.578 -10.122 1.00 0.00 O ATOM 677 CB LEU A 48 -0.640 -3.367 -7.614 1.00 0.00 C ATOM 678 CG LEU A 48 -1.603 -3.873 -6.539 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.332 -3.184 -5.212 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.046 -3.655 -6.971 1.00 0.00 C ATOM 0 H LEU A 48 0.336 -5.631 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.699 -4.177 -9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.374 -3.414 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.860 -2.316 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.441 -4.943 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.027 -3.557 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.310 -3.392 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.465 -2.108 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.718 -4.021 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.221 -2.591 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.234 -4.197 -7.898 1.00 0.00 H new ATOM 692 N ARG A 49 -0.506 -2.462 -10.716 1.00 0.00 N ATOM 693 CA ARG A 49 0.163 -1.671 -11.742 1.00 0.00 C ATOM 694 C ARG A 49 -0.199 -0.195 -11.612 1.00 0.00 C ATOM 695 O ARG A 49 -1.312 0.165 -11.226 1.00 0.00 O ATOM 696 CB ARG A 49 -0.213 -2.180 -13.134 1.00 0.00 C ATOM 697 CG ARG A 49 0.362 -3.549 -13.459 1.00 0.00 C ATOM 698 CD ARG A 49 -0.489 -4.283 -14.483 1.00 0.00 C ATOM 699 NE ARG A 49 0.263 -5.326 -15.175 1.00 0.00 N ATOM 700 CZ ARG A 49 -0.212 -6.013 -16.207 1.00 0.00 C ATOM 701 NH1 ARG A 49 -1.432 -5.769 -16.666 1.00 0.00 N ATOM 702 NH2 ARG A 49 0.534 -6.947 -16.784 1.00 0.00 N ATOM 0 H ARG A 49 -1.502 -2.266 -10.615 1.00 0.00 H new ATOM 0 HA ARG A 49 1.239 -1.776 -11.603 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.299 -2.223 -13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.133 -1.464 -13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.377 -3.437 -13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.428 -4.143 -12.547 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.351 -4.727 -13.986 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.874 -3.570 -15.212 1.00 0.00 H new ATOM 0 HE ARG A 49 1.205 -5.538 -14.847 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.008 -5.052 -16.226 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.794 -6.299 -17.459 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.473 -7.138 -16.435 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.168 -7.474 -17.577 1.00 0.00 H new ATOM 716 N PRO A 50 0.761 0.682 -11.943 1.00 0.00 N ATOM 717 CA PRO A 50 0.566 2.133 -11.872 1.00 0.00 C ATOM 718 C PRO A 50 -0.400 2.641 -12.936 1.00 0.00 C ATOM 719 O PRO A 50 -0.269 2.314 -14.115 1.00 0.00 O ATOM 720 CB PRO A 50 1.971 2.691 -12.114 1.00 0.00 C ATOM 721 CG PRO A 50 2.670 1.633 -12.895 1.00 0.00 C ATOM 722 CD PRO A 50 2.110 0.323 -12.411 1.00 0.00 C ATOM 0 HA PRO A 50 0.128 2.440 -10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.934 3.631 -12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.484 2.893 -11.174 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.499 1.760 -13.964 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.748 1.679 -12.737 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.075 -0.418 -13.209 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.714 -0.101 -11.609 1.00 0.00 H new ATOM 730 N GLY A 51 -1.372 3.443 -12.513 1.00 0.00 N ATOM 731 CA GLY A 51 -2.346 3.984 -13.443 1.00 0.00 C ATOM 732 C GLY A 51 -3.261 5.004 -12.796 1.00 0.00 C ATOM 733 O GLY A 51 -2.830 5.785 -11.947 1.00 0.00 O ATOM 0 H GLY A 51 -1.502 3.728 -11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.825 4.448 -14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.945 3.170 -13.851 1.00 0.00 H new ATOM 737 N ASP A 52 -4.527 5.001 -13.198 1.00 0.00 N ATOM 738 CA ASP A 52 -5.506 5.934 -12.652 1.00 0.00 C ATOM 739 C ASP A 52 -6.034 5.443 -11.308 1.00 0.00 C ATOM 740 O ASP A 52 -5.942 6.143 -10.299 1.00 0.00 O ATOM 741 CB ASP A 52 -6.666 6.121 -13.632 1.00 0.00 C ATOM 742 CG ASP A 52 -7.496 7.350 -13.318 1.00 0.00 C ATOM 743 OD1 ASP A 52 -7.786 7.581 -12.126 1.00 0.00 O ATOM 744 OD2 ASP A 52 -7.856 8.081 -14.265 1.00 0.00 O ATOM 0 H ASP A 52 -4.900 4.362 -13.901 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.011 6.893 -12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.273 6.201 -14.645 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.305 5.238 -13.607 1.00 0.00 H new ATOM 749 N LYS A 53 -6.588 4.235 -11.301 1.00 0.00 N ATOM 750 CA LYS A 53 -7.131 3.649 -10.081 1.00 0.00 C ATOM 751 C LYS A 53 -6.108 3.701 -8.950 1.00 0.00 C ATOM 752 O LYS A 53 -6.407 4.167 -7.851 1.00 0.00 O ATOM 753 CB LYS A 53 -7.557 2.201 -10.332 1.00 0.00 C ATOM 754 CG LYS A 53 -8.278 1.566 -9.156 1.00 0.00 C ATOM 755 CD LYS A 53 -9.778 1.795 -9.232 1.00 0.00 C ATOM 756 CE LYS A 53 -10.465 1.427 -7.925 1.00 0.00 C ATOM 757 NZ LYS A 53 -10.759 -0.030 -7.844 1.00 0.00 N ATOM 0 H LYS A 53 -6.673 3.643 -12.127 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.003 4.232 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.207 2.169 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.674 1.607 -10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.073 0.496 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.892 1.981 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.976 2.841 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.197 1.201 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.831 1.717 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.393 1.991 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.227 -0.240 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.385 -0.302 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.871 -0.567 -7.907 1.00 0.00 H new ATOM 771 N TYR A 54 -4.902 3.220 -9.228 1.00 0.00 N ATOM 772 CA TYR A 54 -3.835 3.210 -8.234 1.00 0.00 C ATOM 773 C TYR A 54 -2.696 4.137 -8.649 1.00 0.00 C ATOM 774 O TYR A 54 -2.470 4.369 -9.836 1.00 0.00 O ATOM 775 CB TYR A 54 -3.305 1.789 -8.037 1.00 0.00 C ATOM 776 CG TYR A 54 -4.374 0.793 -7.646 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.682 0.565 -6.310 1.00 0.00 C ATOM 778 CD2 TYR A 54 -5.075 0.081 -8.611 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.657 -0.344 -5.948 1.00 0.00 C ATOM 780 CE2 TYR A 54 -6.052 -0.829 -8.258 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.340 -1.038 -6.925 1.00 0.00 C ATOM 782 OH TYR A 54 -7.312 -1.945 -6.569 1.00 0.00 O ATOM 0 H TYR A 54 -4.638 2.832 -10.134 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.248 3.570 -7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.830 1.456 -8.960 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.533 1.801 -7.268 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.150 1.107 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.852 0.242 -9.655 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.883 -0.511 -4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.588 -1.374 -9.021 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.697 -2.346 -7.376 1.00 0.00 H new ATOM 792 N SER A 55 -1.980 4.663 -7.660 1.00 0.00 N ATOM 793 CA SER A 55 -0.866 5.567 -7.920 1.00 0.00 C ATOM 794 C SER A 55 0.337 5.209 -7.052 1.00 0.00 C ATOM 795 O SER A 55 0.337 5.443 -5.843 1.00 0.00 O ATOM 796 CB SER A 55 -1.284 7.015 -7.659 1.00 0.00 C ATOM 797 OG SER A 55 -0.329 7.923 -8.179 1.00 0.00 O ATOM 0 H SER A 55 -2.152 4.479 -6.672 1.00 0.00 H new ATOM 0 HA SER A 55 -0.582 5.462 -8.967 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.256 7.204 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.398 7.176 -6.587 1.00 0.00 H new ATOM 0 HG SER A 55 -0.620 8.842 -8.001 1.00 0.00 H new ATOM 803 N LEU A 56 1.362 4.640 -7.678 1.00 0.00 N ATOM 804 CA LEU A 56 2.573 4.249 -6.965 1.00 0.00 C ATOM 805 C LEU A 56 3.664 5.302 -7.127 1.00 0.00 C ATOM 806 O LEU A 56 3.875 5.828 -8.220 1.00 0.00 O ATOM 807 CB LEU A 56 3.074 2.896 -7.474 1.00 0.00 C ATOM 808 CG LEU A 56 2.005 1.826 -7.698 1.00 0.00 C ATOM 809 CD1 LEU A 56 2.435 0.864 -8.794 1.00 0.00 C ATOM 810 CD2 LEU A 56 1.724 1.074 -6.406 1.00 0.00 C ATOM 0 H LEU A 56 1.378 4.439 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 56 2.330 4.164 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.601 3.057 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.803 2.510 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 56 1.086 2.319 -8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.662 0.109 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.585 1.414 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.367 0.378 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.961 0.317 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.638 0.593 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.371 1.773 -5.648 1.00 0.00 H new ATOM 822 N ARG A 57 4.356 5.603 -6.034 1.00 0.00 N ATOM 823 CA ARG A 57 5.427 6.593 -6.055 1.00 0.00 C ATOM 824 C ARG A 57 6.593 6.151 -5.176 1.00 0.00 C ATOM 825 O ARG A 57 6.395 5.676 -4.058 1.00 0.00 O ATOM 826 CB ARG A 57 4.905 7.951 -5.583 1.00 0.00 C ATOM 827 CG ARG A 57 4.323 8.801 -6.700 1.00 0.00 C ATOM 828 CD ARG A 57 5.413 9.368 -7.596 1.00 0.00 C ATOM 829 NE ARG A 57 4.965 10.553 -8.322 1.00 0.00 N ATOM 830 CZ ARG A 57 4.208 10.504 -9.412 1.00 0.00 C ATOM 831 NH1 ARG A 57 3.816 9.335 -9.899 1.00 0.00 N ATOM 832 NH2 ARG A 57 3.840 11.626 -10.017 1.00 0.00 N ATOM 0 H ARG A 57 4.195 5.176 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 57 5.782 6.685 -7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.140 7.793 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.719 8.498 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.637 8.200 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.741 9.617 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.284 9.621 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.730 8.606 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 57 5.249 11.468 -7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.096 8.470 -9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.235 9.300 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.139 12.528 -9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.259 11.587 -10.854 1.00 0.00 H new ATOM 846 N GLN A 58 7.809 6.309 -5.690 1.00 0.00 N ATOM 847 CA GLN A 58 9.006 5.926 -4.952 1.00 0.00 C ATOM 848 C GLN A 58 9.963 7.105 -4.816 1.00 0.00 C ATOM 849 O GLN A 58 10.245 7.803 -5.789 1.00 0.00 O ATOM 850 CB GLN A 58 9.710 4.761 -5.651 1.00 0.00 C ATOM 851 CG GLN A 58 10.987 4.316 -4.956 1.00 0.00 C ATOM 852 CD GLN A 58 12.138 5.277 -5.180 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.189 5.977 -6.191 1.00 0.00 O ATOM 854 NE2 GLN A 58 13.069 5.315 -4.234 1.00 0.00 N ATOM 0 H GLN A 58 7.991 6.700 -6.615 1.00 0.00 H new ATOM 0 HA GLN A 58 8.702 5.612 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.025 3.916 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.946 5.051 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.800 4.222 -3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.268 3.327 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.986 4.717 -3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.867 5.943 -4.329 1.00 0.00 H new ATOM 863 N GLU A 59 10.458 7.322 -3.601 1.00 0.00 N ATOM 864 CA GLU A 59 11.383 8.418 -3.338 1.00 0.00 C ATOM 865 C GLU A 59 12.186 8.160 -2.066 1.00 0.00 C ATOM 866 O GLU A 59 11.626 8.066 -0.975 1.00 0.00 O ATOM 867 CB GLU A 59 10.620 9.739 -3.214 1.00 0.00 C ATOM 868 CG GLU A 59 10.409 10.447 -4.541 1.00 0.00 C ATOM 869 CD GLU A 59 11.698 10.617 -5.323 1.00 0.00 C ATOM 870 OE1 GLU A 59 12.482 11.528 -4.983 1.00 0.00 O ATOM 871 OE2 GLU A 59 11.922 9.841 -6.275 1.00 0.00 O ATOM 0 H GLU A 59 10.234 6.754 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 59 12.076 8.484 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.650 9.547 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.164 10.401 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.696 9.881 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.966 11.426 -4.360 1.00 0.00 H new ATOM 878 N GLY A 60 13.502 8.046 -2.217 1.00 0.00 N ATOM 879 CA GLY A 60 14.361 7.799 -1.074 1.00 0.00 C ATOM 880 C GLY A 60 13.822 6.709 -0.169 1.00 0.00 C ATOM 881 O GLY A 60 13.277 6.991 0.898 1.00 0.00 O ATOM 0 H GLY A 60 13.988 8.120 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.354 7.518 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.473 8.720 -0.502 1.00 0.00 H new ATOM 885 N ALA A 61 13.974 5.459 -0.595 1.00 0.00 N ATOM 886 CA ALA A 61 13.499 4.323 0.184 1.00 0.00 C ATOM 887 C ALA A 61 12.144 4.620 0.818 1.00 0.00 C ATOM 888 O ALA A 61 11.950 4.411 2.015 1.00 0.00 O ATOM 889 CB ALA A 61 14.516 3.955 1.255 1.00 0.00 C ATOM 0 H ALA A 61 14.423 5.208 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 61 13.377 3.476 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.148 3.105 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.462 3.692 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.667 4.805 1.921 1.00 0.00 H new ATOM 895 N MET A 62 11.211 5.108 0.008 1.00 0.00 N ATOM 896 CA MET A 62 9.874 5.433 0.491 1.00 0.00 C ATOM 897 C MET A 62 8.825 5.143 -0.578 1.00 0.00 C ATOM 898 O MET A 62 8.958 5.571 -1.725 1.00 0.00 O ATOM 899 CB MET A 62 9.802 6.904 0.907 1.00 0.00 C ATOM 900 CG MET A 62 8.750 7.185 1.967 1.00 0.00 C ATOM 901 SD MET A 62 8.478 8.948 2.226 1.00 0.00 S ATOM 902 CE MET A 62 7.450 8.921 3.692 1.00 0.00 C ATOM 0 H MET A 62 11.356 5.287 -0.986 1.00 0.00 H new ATOM 0 HA MET A 62 9.666 4.807 1.359 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.777 7.215 1.283 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.591 7.512 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.811 6.716 1.674 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.056 6.727 2.907 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.569 9.542 3.530 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.139 7.897 3.899 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.016 9.307 4.540 1.00 0.00 H new ATOM 912 N LEU A 63 7.782 4.415 -0.195 1.00 0.00 N ATOM 913 CA LEU A 63 6.710 4.068 -1.120 1.00 0.00 C ATOM 914 C LEU A 63 5.421 4.800 -0.760 1.00 0.00 C ATOM 915 O LEU A 63 5.245 5.243 0.374 1.00 0.00 O ATOM 916 CB LEU A 63 6.471 2.557 -1.112 1.00 0.00 C ATOM 917 CG LEU A 63 7.661 1.687 -1.519 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.139 2.056 -2.914 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.792 1.825 -0.511 1.00 0.00 C ATOM 0 H LEU A 63 7.656 4.054 0.750 1.00 0.00 H new ATOM 0 HA LEU A 63 7.014 4.376 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.158 2.264 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.640 2.337 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 63 7.338 0.646 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.986 1.427 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.330 1.904 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.445 3.102 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.630 1.199 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.114 2.865 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.443 1.510 0.472 1.00 0.00 H new ATOM 931 N GLU A 64 4.522 4.920 -1.732 1.00 0.00 N ATOM 932 CA GLU A 64 3.249 5.597 -1.516 1.00 0.00 C ATOM 933 C GLU A 64 2.172 5.039 -2.442 1.00 0.00 C ATOM 934 O GLU A 64 2.214 5.244 -3.656 1.00 0.00 O ATOM 935 CB GLU A 64 3.402 7.102 -1.742 1.00 0.00 C ATOM 936 CG GLU A 64 2.118 7.884 -1.521 1.00 0.00 C ATOM 937 CD GLU A 64 1.251 7.945 -2.764 1.00 0.00 C ATOM 938 OE1 GLU A 64 0.547 6.952 -3.044 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.276 8.983 -3.456 1.00 0.00 O ATOM 0 H GLU A 64 4.652 4.557 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 64 2.943 5.421 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.171 7.485 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.752 7.274 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.552 7.425 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.364 8.897 -1.204 1.00 0.00 H new ATOM 946 N LEU A 65 1.209 4.333 -1.861 1.00 0.00 N ATOM 947 CA LEU A 65 0.120 3.744 -2.633 1.00 0.00 C ATOM 948 C LEU A 65 -1.219 4.365 -2.247 1.00 0.00 C ATOM 949 O LEU A 65 -1.707 4.172 -1.134 1.00 0.00 O ATOM 950 CB LEU A 65 0.074 2.231 -2.416 1.00 0.00 C ATOM 951 CG LEU A 65 -1.245 1.541 -2.767 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.560 1.714 -4.245 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.189 0.065 -2.401 1.00 0.00 C ATOM 0 H LEU A 65 1.160 4.154 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 65 0.304 3.948 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.868 1.775 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.300 2.027 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.043 2.008 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.502 1.217 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.643 2.776 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.761 1.274 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.136 -0.410 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.381 -0.416 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.010 -0.038 -1.331 1.00 0.00 H new ATOM 965 N VAL A 66 -1.809 5.110 -3.177 1.00 0.00 N ATOM 966 CA VAL A 66 -3.094 5.757 -2.935 1.00 0.00 C ATOM 967 C VAL A 66 -4.244 4.911 -3.469 1.00 0.00 C ATOM 968 O VAL A 66 -4.119 4.253 -4.502 1.00 0.00 O ATOM 969 CB VAL A 66 -3.151 7.151 -3.588 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.473 7.835 -3.271 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.977 8.003 -3.129 1.00 0.00 C ATOM 0 H VAL A 66 -1.418 5.280 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.197 5.864 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.081 7.030 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.496 8.819 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.296 7.231 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.576 7.946 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.033 8.984 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.013 8.118 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.043 7.518 -3.412 1.00 0.00 H new ATOM 981 N VAL A 67 -5.367 4.932 -2.757 1.00 0.00 N ATOM 982 CA VAL A 67 -6.541 4.167 -3.159 1.00 0.00 C ATOM 983 C VAL A 67 -7.798 5.029 -3.119 1.00 0.00 C ATOM 984 O VAL A 67 -8.296 5.370 -2.045 1.00 0.00 O ATOM 985 CB VAL A 67 -6.747 2.937 -2.255 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.958 2.137 -2.709 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.498 2.069 -2.245 1.00 0.00 C ATOM 0 H VAL A 67 -5.488 5.471 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.365 3.832 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.931 3.282 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.087 1.272 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.848 2.765 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.808 1.800 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.661 1.204 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.282 1.731 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.655 2.648 -1.868 1.00 0.00 H new ATOM 997 N ARG A 68 -8.307 5.379 -4.296 1.00 0.00 N ATOM 998 CA ARG A 68 -9.506 6.202 -4.395 1.00 0.00 C ATOM 999 C ARG A 68 -10.764 5.341 -4.331 1.00 0.00 C ATOM 1000 O ARG A 68 -10.703 4.123 -4.497 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.492 7.006 -5.697 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.702 8.301 -5.604 1.00 0.00 C ATOM 1003 CD ARG A 68 -9.492 9.386 -4.888 1.00 0.00 C ATOM 1004 NE ARG A 68 -8.805 10.674 -4.918 1.00 0.00 N ATOM 1005 CZ ARG A 68 -9.368 11.816 -4.539 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -10.620 11.830 -4.104 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -8.677 12.948 -4.595 1.00 0.00 N ATOM 0 H ARG A 68 -7.908 5.105 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.514 6.890 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.070 6.389 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.518 7.236 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.767 8.121 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.440 8.641 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.472 9.487 -5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.660 9.089 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.840 10.698 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.154 10.962 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.049 12.709 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.713 12.941 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.110 13.825 -4.304 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.902 5.982 -4.088 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.175 5.275 -4.001 1.00 0.00 C ATOM 1023 C ASN A 69 -13.132 4.211 -2.907 1.00 0.00 C ATOM 1024 O ASN A 69 -13.567 3.077 -3.111 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.515 4.627 -5.344 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.307 5.573 -6.511 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -14.105 6.483 -6.737 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -12.231 5.360 -7.260 1.00 0.00 N ATOM 0 H ASN A 69 -11.969 6.990 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.949 6.000 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.896 3.740 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.552 4.293 -5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.039 5.963 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.597 4.593 -7.035 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.605 4.585 -1.747 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.505 3.665 -0.620 1.00 0.00 C ATOM 1037 C LEU A 70 -13.840 2.972 -0.362 1.00 0.00 C ATOM 1038 O LEU A 70 -14.871 3.628 -0.212 1.00 0.00 O ATOM 1039 CB LEU A 70 -12.055 4.412 0.637 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.544 4.550 0.831 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.234 5.627 1.858 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.937 3.219 1.250 1.00 0.00 C ATOM 0 H LEU A 70 -12.240 5.519 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.764 2.906 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.491 5.411 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.468 3.901 1.507 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.100 4.846 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.154 5.711 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.635 6.581 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.690 5.362 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.862 3.336 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.386 2.894 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.128 2.473 0.479 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.812 1.645 -0.311 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.019 0.864 -0.070 1.00 0.00 C ATOM 1056 C ARG A 71 -14.790 -0.165 1.033 1.00 0.00 C ATOM 1057 O ARG A 71 -13.669 -0.608 1.280 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.461 0.160 -1.355 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.149 1.082 -2.348 1.00 0.00 C ATOM 1060 CD ARG A 71 -16.650 0.317 -3.563 1.00 0.00 C ATOM 1061 NE ARG A 71 -17.985 -0.235 -3.351 1.00 0.00 N ATOM 1062 CZ ARG A 71 -19.094 0.496 -3.368 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.027 1.802 -3.586 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -20.272 -0.079 -3.167 1.00 0.00 N ATOM 0 H ARG A 71 -12.966 1.088 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.805 1.547 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.589 -0.288 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.138 -0.655 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.986 1.583 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.454 1.859 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.665 0.980 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.956 -0.491 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.071 -1.237 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.123 2.247 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.880 2.361 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.327 -1.084 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.123 0.483 -3.180 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.878 -0.554 1.714 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.822 -1.535 2.802 1.00 0.00 C ATOM 1080 C PRO A 72 -15.513 -2.941 2.300 1.00 0.00 C ATOM 1081 O PRO A 72 -15.360 -3.872 3.091 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.229 -1.479 3.404 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.097 -1.001 2.291 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.247 -0.068 1.474 1.00 0.00 C ATOM 0 HA PRO A 72 -15.029 -1.307 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.546 -2.459 3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.268 -0.801 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.452 -1.836 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.979 -0.489 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.508 -0.109 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.367 0.968 1.792 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.422 -3.087 0.982 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.131 -4.381 0.376 1.00 0.00 C ATOM 1094 C GLN A 73 -13.714 -4.412 -0.186 1.00 0.00 C ATOM 1095 O GLN A 73 -13.246 -5.448 -0.659 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.139 -4.686 -0.734 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.566 -4.298 -0.382 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.188 -5.228 0.641 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.716 -4.783 1.661 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.130 -6.527 0.374 1.00 0.00 N ATOM 0 H GLN A 73 -15.545 -2.326 0.314 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.212 -5.143 1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.841 -4.158 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.106 -5.752 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.576 -3.279 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.173 -4.301 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.683 -6.852 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.533 -7.200 1.026 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.036 -3.271 -0.131 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.671 -3.168 -0.634 1.00 0.00 C ATOM 1111 C ASP A 74 -10.670 -3.666 0.404 1.00 0.00 C ATOM 1112 O ASP A 74 -9.601 -4.170 0.059 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.353 -1.721 -1.015 1.00 0.00 C ATOM 1114 CG ASP A 74 -9.933 -1.554 -1.519 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -9.427 -2.482 -2.184 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.327 -0.496 -1.247 1.00 0.00 O ATOM 0 H ASP A 74 -13.409 -2.405 0.257 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.589 -3.796 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.050 -1.389 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.506 -1.078 -0.148 1.00 0.00 H new ATOM 1121 N SER A 75 -11.023 -3.519 1.677 1.00 0.00 N ATOM 1122 CA SER A 75 -10.154 -3.949 2.766 1.00 0.00 C ATOM 1123 C SER A 75 -9.643 -5.366 2.526 1.00 0.00 C ATOM 1124 O SER A 75 -10.414 -6.325 2.525 1.00 0.00 O ATOM 1125 CB SER A 75 -10.901 -3.884 4.100 1.00 0.00 C ATOM 1126 OG SER A 75 -11.257 -2.550 4.420 1.00 0.00 O ATOM 0 H SER A 75 -11.905 -3.105 1.980 1.00 0.00 H new ATOM 0 HA SER A 75 -9.299 -3.274 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.798 -4.501 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.275 -4.297 4.891 1.00 0.00 H new ATOM 0 HG SER A 75 -10.636 -2.198 5.091 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.335 -5.490 2.322 1.00 0.00 N ATOM 1133 CA GLY A 76 -7.741 -6.793 2.083 1.00 0.00 C ATOM 1134 C GLY A 76 -6.342 -6.906 2.656 1.00 0.00 C ATOM 1135 O GLY A 76 -6.079 -6.444 3.766 1.00 0.00 O ATOM 0 H GLY A 76 -7.676 -4.712 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.374 -7.564 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.707 -6.982 1.010 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.443 -7.525 1.898 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.064 -7.700 2.337 1.00 0.00 C ATOM 1141 C ARG A 77 -3.088 -7.151 1.301 1.00 0.00 C ATOM 1142 O ARG A 77 -2.765 -7.822 0.320 1.00 0.00 O ATOM 1143 CB ARG A 77 -3.772 -9.180 2.593 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.380 -9.440 3.144 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.162 -10.917 3.434 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.559 -11.273 4.793 1.00 0.00 N ATOM 1147 CZ ARG A 77 -2.384 -12.480 5.318 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.820 -13.443 4.601 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -2.772 -12.727 6.563 1.00 0.00 N ATOM 0 H ARG A 77 -5.645 -7.914 0.977 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.932 -7.144 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.510 -9.571 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.894 -9.732 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.634 -9.095 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.236 -8.864 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.732 -11.514 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.110 -11.164 3.287 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.995 -10.555 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.520 -13.257 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.687 -14.369 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.205 -11.989 7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.637 -13.655 6.965 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.623 -5.927 1.524 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.687 -5.286 0.608 1.00 0.00 C ATOM 1165 C TYR A 78 -0.245 -5.577 1.011 1.00 0.00 C ATOM 1166 O TYR A 78 0.254 -5.046 2.004 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.925 -3.775 0.578 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.387 -3.392 0.558 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.077 -3.268 -0.642 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.079 -3.154 1.739 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.413 -2.918 -0.665 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.416 -2.805 1.726 1.00 0.00 C ATOM 1173 CZ TYR A 78 -6.078 -2.688 0.522 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.409 -2.339 0.504 1.00 0.00 O ATOM 0 H TYR A 78 -2.879 -5.359 2.331 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.856 -5.694 -0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.452 -3.324 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.436 -3.356 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.560 -3.448 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.563 -3.243 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.934 -2.825 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.939 -2.625 2.653 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.954 -3.136 0.333 1.00 0.00 H new ATOM 1184 N SER A 79 0.421 -6.424 0.233 1.00 0.00 N ATOM 1185 CA SER A 79 1.805 -6.790 0.509 1.00 0.00 C ATOM 1186 C SER A 79 2.721 -6.344 -0.626 1.00 0.00 C ATOM 1187 O SER A 79 2.453 -6.612 -1.798 1.00 0.00 O ATOM 1188 CB SER A 79 1.925 -8.302 0.712 1.00 0.00 C ATOM 1189 OG SER A 79 1.363 -9.009 -0.381 1.00 0.00 O ATOM 0 H SER A 79 0.024 -6.870 -0.594 1.00 0.00 H new ATOM 0 HA SER A 79 2.113 -6.283 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.974 -8.575 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.420 -8.590 1.634 1.00 0.00 H new ATOM 0 HG SER A 79 1.808 -8.737 -1.210 1.00 0.00 H new ATOM 1195 N CYS A 80 3.804 -5.661 -0.270 1.00 0.00 N ATOM 1196 CA CYS A 80 4.761 -5.176 -1.258 1.00 0.00 C ATOM 1197 C CYS A 80 5.933 -6.141 -1.399 1.00 0.00 C ATOM 1198 O CYS A 80 6.614 -6.453 -0.422 1.00 0.00 O ATOM 1199 CB CYS A 80 5.271 -3.788 -0.866 1.00 0.00 C ATOM 1200 SG CYS A 80 6.633 -3.185 -1.891 1.00 0.00 S ATOM 0 H CYS A 80 4.041 -5.431 0.695 1.00 0.00 H new ATOM 0 HA CYS A 80 4.251 -5.110 -2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.445 -3.079 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.596 -3.813 0.174 1.00 0.00 H new ATOM 0 HG CYS A 80 6.446 -3.556 -3.123 1.00 0.00 H new ATOM 1206 N SER A 81 6.162 -6.611 -2.621 1.00 0.00 N ATOM 1207 CA SER A 81 7.249 -7.546 -2.889 1.00 0.00 C ATOM 1208 C SER A 81 8.502 -6.805 -3.348 1.00 0.00 C ATOM 1209 O SER A 81 8.560 -6.294 -4.467 1.00 0.00 O ATOM 1210 CB SER A 81 6.826 -8.561 -3.952 1.00 0.00 C ATOM 1211 OG SER A 81 5.658 -9.259 -3.555 1.00 0.00 O ATOM 0 H SER A 81 5.610 -6.360 -3.441 1.00 0.00 H new ATOM 0 HA SER A 81 7.478 -8.074 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.644 -8.048 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.636 -9.270 -4.125 1.00 0.00 H new ATOM 0 HG SER A 81 4.866 -8.728 -3.782 1.00 0.00 H new ATOM 1217 N PHE A 82 9.502 -6.751 -2.475 1.00 0.00 N ATOM 1218 CA PHE A 82 10.755 -6.073 -2.789 1.00 0.00 C ATOM 1219 C PHE A 82 11.916 -6.688 -2.013 1.00 0.00 C ATOM 1220 O PHE A 82 11.879 -6.775 -0.786 1.00 0.00 O ATOM 1221 CB PHE A 82 10.645 -4.581 -2.468 1.00 0.00 C ATOM 1222 CG PHE A 82 11.586 -3.725 -3.267 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.706 -3.896 -4.636 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.350 -2.749 -2.648 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.570 -3.110 -5.375 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.216 -1.959 -3.381 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.327 -2.141 -4.746 1.00 0.00 C ATOM 0 H PHE A 82 9.470 -7.168 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 82 10.949 -6.195 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.622 -4.252 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.842 -4.430 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.117 -4.653 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.268 -2.604 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.653 -3.253 -6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.805 -1.200 -2.887 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.005 -1.527 -5.320 1.00 0.00 H new ATOM 1237 N GLY A 83 12.945 -7.113 -2.738 1.00 0.00 N ATOM 1238 CA GLY A 83 14.103 -7.715 -2.102 1.00 0.00 C ATOM 1239 C GLY A 83 13.903 -9.190 -1.812 1.00 0.00 C ATOM 1240 O GLY A 83 13.361 -9.924 -2.639 1.00 0.00 O ATOM 0 H GLY A 83 12.998 -7.052 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.974 -7.589 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.316 -7.190 -1.171 1.00 0.00 H new ATOM 1244 N ASP A 84 14.344 -9.624 -0.637 1.00 0.00 N ATOM 1245 CA ASP A 84 14.211 -11.022 -0.240 1.00 0.00 C ATOM 1246 C ASP A 84 13.045 -11.204 0.726 1.00 0.00 C ATOM 1247 O ASP A 84 12.450 -12.279 0.799 1.00 0.00 O ATOM 1248 CB ASP A 84 15.507 -11.515 0.405 1.00 0.00 C ATOM 1249 CG ASP A 84 15.415 -12.959 0.858 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.723 -13.857 0.046 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.035 -13.192 2.024 1.00 0.00 O ATOM 0 H ASP A 84 14.796 -9.029 0.057 1.00 0.00 H new ATOM 0 HA ASP A 84 14.012 -11.612 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.326 -11.412 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.747 -10.883 1.260 1.00 0.00 H new ATOM 1256 N GLN A 85 12.725 -10.147 1.466 1.00 0.00 N ATOM 1257 CA GLN A 85 11.631 -10.193 2.429 1.00 0.00 C ATOM 1258 C GLN A 85 10.384 -9.519 1.867 1.00 0.00 C ATOM 1259 O GLN A 85 10.463 -8.718 0.935 1.00 0.00 O ATOM 1260 CB GLN A 85 12.046 -9.515 3.736 1.00 0.00 C ATOM 1261 CG GLN A 85 13.207 -10.204 4.436 1.00 0.00 C ATOM 1262 CD GLN A 85 12.751 -11.287 5.393 1.00 0.00 C ATOM 1263 OE1 GLN A 85 12.088 -12.245 4.995 1.00 0.00 O ATOM 1264 NE2 GLN A 85 13.106 -11.142 6.665 1.00 0.00 N ATOM 0 H GLN A 85 13.207 -9.249 1.417 1.00 0.00 H new ATOM 0 HA GLN A 85 11.399 -11.239 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.320 -8.481 3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.190 -9.489 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.870 -10.640 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.788 -9.462 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.656 -10.332 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.829 -11.840 7.355 1.00 0.00 H new ATOM 1273 N THR A 86 9.230 -9.849 2.440 1.00 0.00 N ATOM 1274 CA THR A 86 7.965 -9.278 1.996 1.00 0.00 C ATOM 1275 C THR A 86 7.147 -8.769 3.177 1.00 0.00 C ATOM 1276 O THR A 86 7.160 -9.362 4.256 1.00 0.00 O ATOM 1277 CB THR A 86 7.129 -10.306 1.211 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.939 -10.938 0.214 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.931 -9.639 0.551 1.00 0.00 C ATOM 0 H THR A 86 9.146 -10.509 3.213 1.00 0.00 H new ATOM 0 HA THR A 86 8.209 -8.443 1.340 1.00 0.00 H new ATOM 0 HB THR A 86 6.766 -11.057 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.400 -11.591 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.356 -10.385 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.301 -9.185 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.277 -8.869 -0.138 1.00 0.00 H new ATOM 1287 N THR A 87 6.433 -7.667 2.966 1.00 0.00 N ATOM 1288 CA THR A 87 5.609 -7.079 4.014 1.00 0.00 C ATOM 1289 C THR A 87 4.126 -7.196 3.678 1.00 0.00 C ATOM 1290 O THR A 87 3.757 -7.424 2.526 1.00 0.00 O ATOM 1291 CB THR A 87 5.957 -5.595 4.236 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.201 -5.073 5.334 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.671 -4.779 2.984 1.00 0.00 C ATOM 0 H THR A 87 6.409 -7.164 2.079 1.00 0.00 H new ATOM 0 HA THR A 87 5.817 -7.634 4.928 1.00 0.00 H new ATOM 0 HB THR A 87 7.021 -5.524 4.462 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.524 -5.467 6.171 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.924 -3.734 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.270 -5.160 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.613 -4.857 2.732 1.00 0.00 H new ATOM 1301 N SER A 88 3.280 -7.038 4.691 1.00 0.00 N ATOM 1302 CA SER A 88 1.837 -7.130 4.503 1.00 0.00 C ATOM 1303 C SER A 88 1.098 -6.342 5.581 1.00 0.00 C ATOM 1304 O SER A 88 1.449 -6.400 6.759 1.00 0.00 O ATOM 1305 CB SER A 88 1.390 -8.593 4.528 1.00 0.00 C ATOM 1306 OG SER A 88 -0.015 -8.699 4.377 1.00 0.00 O ATOM 0 H SER A 88 3.569 -6.846 5.650 1.00 0.00 H new ATOM 0 HA SER A 88 1.594 -6.700 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.887 -9.142 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.694 -9.053 5.468 1.00 0.00 H new ATOM 0 HG SER A 88 -0.356 -9.399 4.972 1.00 0.00 H new ATOM 1312 N ALA A 89 0.072 -5.605 5.167 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.718 -4.807 6.096 1.00 0.00 C ATOM 1314 C ALA A 89 -2.206 -4.909 5.778 1.00 0.00 C ATOM 1315 O ALA A 89 -2.598 -5.495 4.768 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.267 -3.354 6.059 1.00 0.00 C ATOM 0 H ALA A 89 -0.231 -5.544 4.195 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.560 -5.200 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.866 -2.769 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.784 -3.292 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.396 -2.959 5.051 1.00 0.00 H new ATOM 1322 N THR A 90 -3.033 -4.336 6.647 1.00 0.00 N ATOM 1323 CA THR A 90 -4.478 -4.363 6.461 1.00 0.00 C ATOM 1324 C THR A 90 -5.079 -2.971 6.612 1.00 0.00 C ATOM 1325 O THR A 90 -4.675 -2.200 7.484 1.00 0.00 O ATOM 1326 CB THR A 90 -5.156 -5.315 7.465 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.646 -6.643 7.302 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.665 -5.319 7.272 1.00 0.00 C ATOM 0 H THR A 90 -2.726 -3.847 7.488 1.00 0.00 H new ATOM 0 HA THR A 90 -4.659 -4.725 5.449 1.00 0.00 H new ATOM 0 HB THR A 90 -4.935 -4.962 8.472 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.081 -7.242 7.945 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.122 -5.998 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.054 -4.312 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.902 -5.649 6.261 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.047 -2.653 5.760 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.705 -1.352 5.800 1.00 0.00 C ATOM 1338 C LEU A 91 -8.077 -1.456 6.460 1.00 0.00 C ATOM 1339 O LEU A 91 -8.759 -2.474 6.344 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.849 -0.788 4.385 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.358 0.651 4.285 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.422 1.600 5.017 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.507 1.063 2.828 1.00 0.00 C ATOM 0 H LEU A 91 -6.394 -3.278 5.033 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.087 -0.677 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.878 -0.844 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.528 -1.432 3.826 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.338 0.704 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.800 2.619 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.366 1.317 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.428 1.545 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.870 2.089 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.540 0.994 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.218 0.401 2.334 1.00 0.00 H new ATOM 1355 N THR A 92 -8.476 -0.393 7.152 1.00 0.00 N ATOM 1356 CA THR A 92 -9.766 -0.364 7.830 1.00 0.00 C ATOM 1357 C THR A 92 -10.688 0.682 7.213 1.00 0.00 C ATOM 1358 O THR A 92 -10.403 1.879 7.259 1.00 0.00 O ATOM 1359 CB THR A 92 -9.604 -0.067 9.332 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.715 -1.019 9.927 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.950 -0.111 10.041 1.00 0.00 C ATOM 0 H THR A 92 -7.925 0.459 7.257 1.00 0.00 H new ATOM 0 HA THR A 92 -10.210 -1.352 7.708 1.00 0.00 H new ATOM 0 HB THR A 92 -9.187 0.935 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.616 -0.822 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.810 0.102 11.101 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.615 0.635 9.606 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.390 -1.101 9.925 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.794 0.224 6.636 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.759 1.121 6.011 1.00 0.00 C ATOM 1371 C VAL A 93 -14.146 0.944 6.617 1.00 0.00 C ATOM 1372 O VAL A 93 -14.769 -0.109 6.475 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.841 0.886 4.491 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.824 1.855 3.853 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.464 1.016 3.857 1.00 0.00 C ATOM 0 H VAL A 93 -12.044 -0.764 6.588 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.412 2.138 6.196 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.202 -0.128 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.868 1.674 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.813 1.708 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.496 2.878 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.541 0.847 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.072 2.017 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.791 0.278 4.293 1.00 0.00 H new ATOM 1385 N THR A 94 -14.627 1.982 7.295 1.00 0.00 N ATOM 1386 CA THR A 94 -15.941 1.941 7.924 1.00 0.00 C ATOM 1387 C THR A 94 -17.009 2.525 7.005 1.00 0.00 C ATOM 1388 O THR A 94 -16.859 3.633 6.490 1.00 0.00 O ATOM 1389 CB THR A 94 -15.950 2.713 9.257 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.797 2.365 10.031 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.211 2.408 10.051 1.00 0.00 C ATOM 0 H THR A 94 -14.126 2.861 7.422 1.00 0.00 H new ATOM 0 HA THR A 94 -16.166 0.892 8.118 1.00 0.00 H new ATOM 0 HB THR A 94 -15.930 3.780 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.809 2.861 10.876 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.194 2.965 10.988 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.086 2.700 9.471 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.257 1.340 10.264 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.086 1.773 6.805 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.180 2.218 5.950 1.00 0.00 C ATOM 1401 C ALA A 95 -19.892 3.424 6.553 1.00 0.00 C ATOM 1402 O ALA A 95 -20.433 3.350 7.657 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.165 1.082 5.720 1.00 0.00 C ATOM 0 H ALA A 95 -18.225 0.853 7.223 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.759 2.520 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.977 1.428 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.653 0.249 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.572 0.754 6.677 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.888 4.534 5.823 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.534 5.757 6.286 1.00 0.00 C ATOM 1411 C LEU A 96 -21.806 5.440 7.066 1.00 0.00 C ATOM 1412 O LEU A 96 -22.539 4.502 6.750 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.862 6.665 5.100 1.00 0.00 C ATOM 1414 CG LEU A 96 -19.757 7.628 4.665 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -19.885 7.954 3.185 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.798 8.899 5.500 1.00 0.00 C ATOM 0 H LEU A 96 -19.444 4.612 4.908 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.842 6.274 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.124 6.037 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.748 7.249 5.350 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.794 7.143 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.090 8.641 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -19.804 7.037 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.853 8.419 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.005 9.573 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.764 9.388 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.655 8.649 6.551 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.076 6.239 8.108 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.262 6.065 8.953 1.00 0.00 C ATOM 1430 C PRO A 97 -24.552 6.418 8.220 1.00 0.00 C ATOM 1431 O PRO A 97 -25.645 6.286 8.771 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.020 7.039 10.109 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.118 8.081 9.544 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.247 7.376 8.541 1.00 0.00 C ATOM 0 HA PRO A 97 -23.389 5.030 9.270 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.955 7.474 10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.560 6.537 10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.691 8.878 9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.516 8.543 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.989 8.027 7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.310 7.043 8.987 1.00 0.00 H new