USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 Single : A 17 ASN : amide:sc= -0.821 X(o=-0.82,f=-1.2) USER MOD Single : A 19 ASN : amide:sc= -2.6 K(o=-2.6,f=-10!) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= -0.0149 (180deg=-0.175) USER MOD Single : A 25 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.011) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.279 USER MOD Single : A 31 GLN : amide:sc= -0.0057 X(o=-0.0057,f=-0.49) USER MOD Single : A 36 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.01 K(o=-1,f=-2.6) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 62:sc= 0.115 USER MOD Single : A 60 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Single : A 61 CYS SG : rot -141:sc= -1.34 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -1.23 (180deg=-1.26) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.423 -2.987 1.375 1.00 0.00 N ATOM 69 CA PHE A 8 6.937 -1.918 2.239 1.00 0.00 C ATOM 70 C PHE A 8 6.163 -2.485 3.424 1.00 0.00 C ATOM 71 O PHE A 8 5.797 -3.660 3.434 1.00 0.00 O ATOM 72 CB PHE A 8 6.046 -0.960 1.446 1.00 0.00 C ATOM 73 CG PHE A 8 6.735 -0.340 0.263 1.00 0.00 C ATOM 74 CD1 PHE A 8 6.832 -1.026 -0.937 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.285 0.929 0.352 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.465 -0.459 -2.026 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.920 1.501 -0.735 1.00 0.00 C ATOM 78 CZ PHE A 8 8.010 0.806 -1.925 1.00 0.00 C ATOM 0 HA PHE A 8 7.800 -1.372 2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.164 -1.499 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.697 -0.168 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.408 -2.016 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.217 1.477 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.534 -1.004 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.345 2.490 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.506 1.251 -2.775 1.00 0.00 H new ATOM 88 N ARG A 9 5.917 -1.643 4.422 1.00 0.00 N ATOM 89 CA ARG A 9 5.187 -2.059 5.613 1.00 0.00 C ATOM 90 C ARG A 9 3.976 -1.164 5.849 1.00 0.00 C ATOM 91 O ARG A 9 3.742 -0.210 5.107 1.00 0.00 O ATOM 92 CB ARG A 9 6.105 -2.029 6.837 1.00 0.00 C ATOM 93 CG ARG A 9 5.851 -3.163 7.816 1.00 0.00 C ATOM 94 CD ARG A 9 7.082 -3.459 8.658 1.00 0.00 C ATOM 95 NE ARG A 9 7.258 -4.890 8.887 1.00 0.00 N ATOM 96 CZ ARG A 9 6.429 -5.632 9.617 1.00 0.00 C ATOM 97 NH1 ARG A 9 5.365 -5.083 10.191 1.00 0.00 N ATOM 98 NH2 ARG A 9 6.662 -6.928 9.775 1.00 0.00 N ATOM 0 H ARG A 9 6.213 -0.667 4.429 1.00 0.00 H new ATOM 0 HA ARG A 9 4.837 -3.079 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.142 -2.073 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.976 -1.078 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.017 -2.902 8.468 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.559 -4.059 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.966 -3.060 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.997 -2.946 9.616 1.00 0.00 H new ATOM 0 HE ARG A 9 8.064 -5.348 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.179 -4.087 10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.733 -5.657 10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.477 -7.357 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.026 -7.496 10.335 1.00 0.00 H new ATOM 112 N VAL A 10 3.207 -1.477 6.888 1.00 0.00 N ATOM 113 CA VAL A 10 2.019 -0.701 7.222 1.00 0.00 C ATOM 114 C VAL A 10 2.396 0.645 7.831 1.00 0.00 C ATOM 115 O VAL A 10 3.273 0.725 8.691 1.00 0.00 O ATOM 116 CB VAL A 10 1.110 -1.460 8.205 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.210 -0.727 8.387 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.876 -2.885 7.725 1.00 0.00 C ATOM 0 H VAL A 10 3.386 -2.263 7.513 1.00 0.00 H new ATOM 0 HA VAL A 10 1.476 -0.537 6.291 1.00 0.00 H new ATOM 0 HB VAL A 10 1.610 -1.505 9.173 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.839 -1.279 9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.020 0.272 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.718 -0.648 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.231 -3.406 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.398 -2.865 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.831 -3.406 7.653 1.00 0.00 H new ATOM 128 N GLY A 11 1.726 1.701 7.380 1.00 0.00 N ATOM 129 CA GLY A 11 2.005 3.030 7.893 1.00 0.00 C ATOM 130 C GLY A 11 2.960 3.805 7.007 1.00 0.00 C ATOM 131 O GLY A 11 2.926 5.035 6.973 1.00 0.00 O ATOM 0 H GLY A 11 0.996 1.660 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.071 3.584 7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.428 2.948 8.894 1.00 0.00 H new ATOM 135 N GLU A 12 3.814 3.085 6.287 1.00 0.00 N ATOM 136 CA GLU A 12 4.784 3.715 5.397 1.00 0.00 C ATOM 137 C GLU A 12 4.118 4.167 4.101 1.00 0.00 C ATOM 138 O GLU A 12 3.249 3.480 3.565 1.00 0.00 O ATOM 139 CB GLU A 12 5.925 2.746 5.085 1.00 0.00 C ATOM 140 CG GLU A 12 6.560 2.135 6.324 1.00 0.00 C ATOM 141 CD GLU A 12 7.855 1.408 6.017 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.869 0.594 5.070 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.855 1.654 6.723 1.00 0.00 O ATOM 0 H GLU A 12 3.855 2.066 6.302 1.00 0.00 H new ATOM 0 HA GLU A 12 5.189 4.592 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.547 1.946 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.692 3.272 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.753 2.921 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.857 1.440 6.783 1.00 0.00 H new ATOM 150 N ARG A 13 4.532 5.327 3.603 1.00 0.00 N ATOM 151 CA ARG A 13 3.977 5.872 2.370 1.00 0.00 C ATOM 152 C ARG A 13 4.519 5.127 1.154 1.00 0.00 C ATOM 153 O ARG A 13 5.645 4.630 1.170 1.00 0.00 O ATOM 154 CB ARG A 13 4.300 7.363 2.255 1.00 0.00 C ATOM 155 CG ARG A 13 3.402 8.106 1.277 1.00 0.00 C ATOM 156 CD ARG A 13 2.464 9.063 1.996 1.00 0.00 C ATOM 157 NE ARG A 13 1.151 9.126 1.357 1.00 0.00 N ATOM 158 CZ ARG A 13 0.284 10.118 1.542 1.00 0.00 C ATOM 159 NH1 ARG A 13 0.583 11.131 2.346 1.00 0.00 N ATOM 160 NH2 ARG A 13 -0.888 10.098 0.920 1.00 0.00 N ATOM 0 H ARG A 13 5.251 5.908 4.035 1.00 0.00 H new ATOM 0 HA ARG A 13 2.895 5.744 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.210 7.823 3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.338 7.479 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.016 8.661 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.819 7.388 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.348 8.747 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.906 10.059 2.014 1.00 0.00 H new ATOM 0 HE ARG A 13 0.884 8.365 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.482 11.152 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.087 11.888 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.124 9.323 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.553 10.858 1.061 1.00 0.00 H new ATOM 174 N VAL A 14 3.710 5.054 0.103 1.00 0.00 N ATOM 175 CA VAL A 14 4.108 4.370 -1.122 1.00 0.00 C ATOM 176 C VAL A 14 3.745 5.193 -2.354 1.00 0.00 C ATOM 177 O VAL A 14 2.914 6.098 -2.284 1.00 0.00 O ATOM 178 CB VAL A 14 3.446 2.984 -1.232 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.119 1.994 -0.294 1.00 0.00 C ATOM 180 CG2 VAL A 14 1.956 3.078 -0.941 1.00 0.00 C ATOM 0 H VAL A 14 2.775 5.460 0.075 1.00 0.00 H new ATOM 0 HA VAL A 14 5.190 4.245 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 14 3.570 2.623 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.637 1.021 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.173 1.904 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.029 2.347 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.506 2.089 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.806 3.462 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.487 3.751 -1.659 1.00 0.00 H new ATOM 190 N TRP A 15 4.373 4.871 -3.480 1.00 0.00 N ATOM 191 CA TRP A 15 4.117 5.582 -4.727 1.00 0.00 C ATOM 192 C TRP A 15 3.741 4.608 -5.841 1.00 0.00 C ATOM 193 O TRP A 15 4.608 3.974 -6.444 1.00 0.00 O ATOM 194 CB TRP A 15 5.346 6.397 -5.136 1.00 0.00 C ATOM 195 CG TRP A 15 5.118 7.877 -5.090 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.857 8.700 -6.148 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.131 8.711 -3.926 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.707 9.995 -5.712 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.871 10.026 -4.351 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.336 8.471 -2.564 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.811 11.098 -3.464 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.277 9.535 -1.684 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.017 10.835 -2.137 1.00 0.00 C ATOM 0 H TRP A 15 5.062 4.123 -3.555 1.00 0.00 H new ATOM 0 HA TRP A 15 3.279 6.260 -4.565 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.177 6.144 -4.477 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.642 6.113 -6.146 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.780 8.380 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.506 10.801 -6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.537 7.472 -2.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.609 12.101 -3.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.434 9.361 -0.630 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.978 11.646 -1.425 1.00 0.00 H new ATOM 214 N VAL A 16 2.444 4.494 -6.109 1.00 0.00 N ATOM 215 CA VAL A 16 1.955 3.600 -7.150 1.00 0.00 C ATOM 216 C VAL A 16 2.147 4.212 -8.533 1.00 0.00 C ATOM 217 O VAL A 16 1.749 5.352 -8.779 1.00 0.00 O ATOM 218 CB VAL A 16 0.465 3.264 -6.951 1.00 0.00 C ATOM 219 CG1 VAL A 16 0.029 2.173 -7.916 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.199 2.851 -5.511 1.00 0.00 C ATOM 0 H VAL A 16 1.713 5.010 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 16 2.538 2.682 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.122 4.158 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.026 1.950 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.180 2.512 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.620 1.274 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.859 2.617 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.795 1.971 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.470 3.668 -4.842 1.00 0.00 H new ATOM 230 N ASN A 17 2.760 3.451 -9.432 1.00 0.00 N ATOM 231 CA ASN A 17 3.005 3.920 -10.791 1.00 0.00 C ATOM 232 C ASN A 17 3.883 5.170 -10.791 1.00 0.00 C ATOM 233 O ASN A 17 3.892 5.931 -11.759 1.00 0.00 O ATOM 234 CB ASN A 17 1.681 4.213 -11.498 1.00 0.00 C ATOM 235 CG ASN A 17 0.744 3.022 -11.486 1.00 0.00 C ATOM 236 OD1 ASN A 17 -0.437 3.150 -11.160 1.00 0.00 O ATOM 237 ND2 ASN A 17 1.266 1.853 -11.842 1.00 0.00 N ATOM 0 H ASN A 17 3.097 2.507 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 17 3.531 3.131 -11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.194 5.060 -11.015 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.880 4.505 -12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.683 1.016 -11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.250 1.793 -12.105 1.00 0.00 H new ATOM 244 N GLY A 18 4.620 5.376 -9.702 1.00 0.00 N ATOM 245 CA GLY A 18 5.490 6.534 -9.602 1.00 0.00 C ATOM 246 C GLY A 18 4.753 7.842 -9.811 1.00 0.00 C ATOM 247 O GLY A 18 5.288 8.774 -10.412 1.00 0.00 O ATOM 0 H GLY A 18 4.630 4.761 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.965 6.542 -8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.287 6.449 -10.341 1.00 0.00 H new ATOM 251 N ASN A 19 3.522 7.915 -9.314 1.00 0.00 N ATOM 252 CA ASN A 19 2.713 9.121 -9.452 1.00 0.00 C ATOM 253 C ASN A 19 1.369 8.963 -8.745 1.00 0.00 C ATOM 254 O ASN A 19 0.343 9.441 -9.228 1.00 0.00 O ATOM 255 CB ASN A 19 2.488 9.445 -10.930 1.00 0.00 C ATOM 256 CG ASN A 19 1.733 8.349 -11.655 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.791 7.181 -11.270 1.00 0.00 O ATOM 258 ND2 ASN A 19 1.018 8.720 -12.710 1.00 0.00 N ATOM 0 H ASN A 19 3.063 7.154 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 19 3.254 9.943 -8.984 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.934 10.380 -11.014 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.451 9.601 -11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.488 8.026 -13.237 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.998 9.699 -12.994 1.00 0.00 H new ATOM 265 N LYS A 20 1.384 8.291 -7.598 1.00 0.00 N ATOM 266 CA LYS A 20 0.166 8.072 -6.826 1.00 0.00 C ATOM 267 C LYS A 20 0.495 7.748 -5.370 1.00 0.00 C ATOM 268 O LYS A 20 0.556 6.582 -4.983 1.00 0.00 O ATOM 269 CB LYS A 20 -0.654 6.935 -7.440 1.00 0.00 C ATOM 270 CG LYS A 20 -1.296 7.297 -8.769 1.00 0.00 C ATOM 271 CD LYS A 20 -2.288 6.234 -9.216 1.00 0.00 C ATOM 272 CE LYS A 20 -3.088 6.693 -10.424 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.206 7.108 -11.549 1.00 0.00 N ATOM 0 H LYS A 20 2.225 7.889 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.421 8.990 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.008 6.068 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.434 6.640 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.805 8.257 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.522 7.416 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.754 5.316 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.967 6.000 -8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.742 5.886 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.730 7.527 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.779 7.251 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.724 7.996 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.498 6.367 -11.727 1.00 0.00 H new ATOM 287 N PRO A 21 0.709 8.784 -4.541 1.00 0.00 N ATOM 288 CA PRO A 21 1.032 8.605 -3.121 1.00 0.00 C ATOM 289 C PRO A 21 -0.141 8.038 -2.329 1.00 0.00 C ATOM 290 O PRO A 21 -1.301 8.321 -2.629 1.00 0.00 O ATOM 291 CB PRO A 21 1.362 10.022 -2.645 1.00 0.00 C ATOM 292 CG PRO A 21 0.646 10.918 -3.594 1.00 0.00 C ATOM 293 CD PRO A 21 0.655 10.208 -4.919 1.00 0.00 C ATOM 0 HA PRO A 21 1.846 7.894 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.028 10.183 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.436 10.205 -2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.374 11.106 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.142 11.886 -3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.237 10.435 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.515 10.496 -5.524 1.00 0.00 H new ATOM 301 N GLY A 22 0.168 7.235 -1.315 1.00 0.00 N ATOM 302 CA GLY A 22 -0.872 6.641 -0.496 1.00 0.00 C ATOM 303 C GLY A 22 -0.314 5.891 0.697 1.00 0.00 C ATOM 304 O GLY A 22 0.810 5.389 0.652 1.00 0.00 O ATOM 0 H GLY A 22 1.120 6.986 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.546 7.423 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.465 5.959 -1.105 1.00 0.00 H new ATOM 308 N PHE A 23 -1.099 5.814 1.766 1.00 0.00 N ATOM 309 CA PHE A 23 -0.676 5.120 2.977 1.00 0.00 C ATOM 310 C PHE A 23 -1.080 3.650 2.931 1.00 0.00 C ATOM 311 O PHE A 23 -2.148 3.304 2.426 1.00 0.00 O ATOM 312 CB PHE A 23 -1.283 5.789 4.212 1.00 0.00 C ATOM 313 CG PHE A 23 -0.599 7.069 4.597 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.746 7.079 4.928 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.302 8.263 4.631 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.378 8.255 5.283 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.675 9.442 4.986 1.00 0.00 C ATOM 318 CZ PHE A 23 0.667 9.438 5.313 1.00 0.00 C ATOM 0 H PHE A 23 -2.032 6.224 1.819 1.00 0.00 H new ATOM 0 HA PHE A 23 0.411 5.178 3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.337 5.992 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.237 5.095 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.307 6.156 4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.352 8.272 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.428 8.249 5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.234 10.366 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.159 10.358 5.592 1.00 0.00 H new ATOM 328 N ILE A 24 -0.218 2.787 3.459 1.00 0.00 N ATOM 329 CA ILE A 24 -0.484 1.354 3.478 1.00 0.00 C ATOM 330 C ILE A 24 -1.225 0.949 4.747 1.00 0.00 C ATOM 331 O ILE A 24 -0.820 1.302 5.854 1.00 0.00 O ATOM 332 CB ILE A 24 0.819 0.539 3.376 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.684 1.056 2.227 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.505 -0.939 3.185 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.042 0.393 2.146 1.00 0.00 C ATOM 0 H ILE A 24 0.671 3.056 3.880 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.108 1.137 2.611 1.00 0.00 H new ATOM 0 HB ILE A 24 1.376 0.657 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.156 0.899 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.820 2.131 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.435 -1.502 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.075 -1.301 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.071 -1.073 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.601 0.809 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.590 0.571 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.915 -0.680 2.000 1.00 0.00 H new ATOM 347 N GLN A 25 -2.314 0.204 4.578 1.00 0.00 N ATOM 348 CA GLN A 25 -3.112 -0.251 5.710 1.00 0.00 C ATOM 349 C GLN A 25 -3.167 -1.775 5.759 1.00 0.00 C ATOM 350 O GLN A 25 -2.997 -2.379 6.819 1.00 0.00 O ATOM 351 CB GLN A 25 -4.528 0.319 5.624 1.00 0.00 C ATOM 352 CG GLN A 25 -4.566 1.816 5.367 1.00 0.00 C ATOM 353 CD GLN A 25 -4.839 2.617 6.625 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.775 3.415 6.675 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.021 2.408 7.649 1.00 0.00 N ATOM 0 H GLN A 25 -2.663 -0.097 3.668 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.638 0.107 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.069 -0.192 4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.054 0.105 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.614 2.132 4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.336 2.034 4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.258 1.737 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.156 2.919 8.522 1.00 0.00 H new ATOM 364 N PHE A 26 -3.404 -2.391 4.606 1.00 0.00 N ATOM 365 CA PHE A 26 -3.482 -3.844 4.514 1.00 0.00 C ATOM 366 C PHE A 26 -2.349 -4.396 3.656 1.00 0.00 C ATOM 367 O PHE A 26 -2.100 -3.912 2.552 1.00 0.00 O ATOM 368 CB PHE A 26 -4.832 -4.267 3.932 1.00 0.00 C ATOM 369 CG PHE A 26 -5.162 -5.712 4.172 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.415 -6.176 5.453 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.220 -6.608 3.116 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.719 -7.505 5.677 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.524 -7.938 3.333 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.773 -8.387 4.616 1.00 0.00 C ATOM 0 H PHE A 26 -3.546 -1.905 3.720 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.384 -4.253 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.616 -3.647 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.832 -4.076 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.374 -5.490 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.025 -6.262 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.914 -7.853 6.680 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.567 -8.626 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.010 -9.427 4.789 1.00 0.00 H new ATOM 384 N LEU A 27 -1.665 -5.413 4.171 1.00 0.00 N ATOM 385 CA LEU A 27 -0.557 -6.032 3.452 1.00 0.00 C ATOM 386 C LEU A 27 -0.704 -7.551 3.430 1.00 0.00 C ATOM 387 O LEU A 27 -0.602 -8.208 4.465 1.00 0.00 O ATOM 388 CB LEU A 27 0.776 -5.646 4.094 1.00 0.00 C ATOM 389 CG LEU A 27 1.290 -4.251 3.733 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.480 -3.879 4.602 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.662 -4.186 2.259 1.00 0.00 C ATOM 0 H LEU A 27 -1.859 -5.826 5.083 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.575 -5.668 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.672 -5.709 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.528 -6.380 3.803 1.00 0.00 H new ATOM 0 HG LEU A 27 0.493 -3.531 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.832 -2.884 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.181 -3.885 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.282 -4.601 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.026 -3.187 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.443 -4.917 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.784 -4.408 1.652 1.00 0.00 H new ATOM 403 N GLY A 28 -0.942 -8.100 2.243 1.00 0.00 N ATOM 404 CA GLY A 28 -1.098 -9.537 2.111 1.00 0.00 C ATOM 405 C GLY A 28 -2.085 -9.916 1.024 1.00 0.00 C ATOM 406 O GLY A 28 -2.710 -9.047 0.413 1.00 0.00 O ATOM 0 H GLY A 28 -1.029 -7.577 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.129 -9.986 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.432 -9.952 3.062 1.00 0.00 H new ATOM 410 N GLU A 29 -2.228 -11.215 0.784 1.00 0.00 N ATOM 411 CA GLU A 29 -3.146 -11.708 -0.237 1.00 0.00 C ATOM 412 C GLU A 29 -4.588 -11.348 0.110 1.00 0.00 C ATOM 413 O GLU A 29 -4.890 -10.977 1.245 1.00 0.00 O ATOM 414 CB GLU A 29 -3.010 -13.223 -0.389 1.00 0.00 C ATOM 415 CG GLU A 29 -3.272 -13.990 0.897 1.00 0.00 C ATOM 416 CD GLU A 29 -4.693 -14.512 0.985 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.575 -13.757 1.446 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.924 -15.675 0.592 1.00 0.00 O ATOM 0 H GLU A 29 -1.720 -11.946 1.282 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.887 -11.231 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.705 -13.567 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.005 -13.455 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.577 -14.827 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.074 -13.341 1.750 1.00 0.00 H new ATOM 425 N THR A 30 -5.474 -11.460 -0.874 1.00 0.00 N ATOM 426 CA THR A 30 -6.884 -11.146 -0.672 1.00 0.00 C ATOM 427 C THR A 30 -7.755 -12.375 -0.910 1.00 0.00 C ATOM 428 O THR A 30 -7.250 -13.462 -1.193 1.00 0.00 O ATOM 429 CB THR A 30 -7.314 -10.015 -1.607 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.725 -10.170 -2.886 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.941 -8.641 -1.094 1.00 0.00 C ATOM 0 H THR A 30 -5.241 -11.766 -1.819 1.00 0.00 H new ATOM 0 HA THR A 30 -7.014 -10.825 0.361 1.00 0.00 H new ATOM 0 HB THR A 30 -8.401 -10.083 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.874 -9.359 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.275 -7.884 -1.804 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.420 -8.470 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.859 -8.577 -0.978 1.00 0.00 H new ATOM 439 N GLN A 31 -9.067 -12.197 -0.791 1.00 0.00 N ATOM 440 CA GLN A 31 -10.009 -13.292 -0.991 1.00 0.00 C ATOM 441 C GLN A 31 -10.555 -13.287 -2.416 1.00 0.00 C ATOM 442 O GLN A 31 -10.714 -14.339 -3.034 1.00 0.00 O ATOM 443 CB GLN A 31 -11.161 -13.190 0.009 1.00 0.00 C ATOM 444 CG GLN A 31 -10.770 -13.567 1.429 1.00 0.00 C ATOM 445 CD GLN A 31 -11.970 -13.719 2.343 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.989 -14.295 1.960 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.857 -13.201 3.560 1.00 0.00 N ATOM 0 H GLN A 31 -9.502 -11.304 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.478 -14.230 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.545 -12.170 0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.974 -13.838 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.210 -14.502 1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.104 -12.804 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.995 -12.732 3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.633 -13.272 4.219 1.00 0.00 H new ATOM 456 N PHE A 32 -10.840 -12.095 -2.931 1.00 0.00 N ATOM 457 CA PHE A 32 -11.368 -11.954 -4.282 1.00 0.00 C ATOM 458 C PHE A 32 -10.396 -12.525 -5.309 1.00 0.00 C ATOM 459 O PHE A 32 -10.807 -13.147 -6.290 1.00 0.00 O ATOM 460 CB PHE A 32 -11.650 -10.483 -4.591 1.00 0.00 C ATOM 461 CG PHE A 32 -10.513 -9.566 -4.241 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.411 -9.458 -5.074 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.546 -8.812 -3.078 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.364 -8.615 -4.754 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.502 -7.968 -2.753 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.410 -7.869 -3.592 1.00 0.00 C ATOM 0 H PHE A 32 -10.714 -11.214 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.301 -12.515 -4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.875 -10.380 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.540 -10.170 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.370 -10.039 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.398 -8.885 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.511 -8.539 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.540 -7.386 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.593 -7.209 -3.340 1.00 0.00 H new ATOM 476 N ALA A 33 -9.105 -12.309 -5.079 1.00 0.00 N ATOM 477 CA ALA A 33 -8.075 -12.803 -5.984 1.00 0.00 C ATOM 478 C ALA A 33 -6.851 -13.289 -5.210 1.00 0.00 C ATOM 479 O ALA A 33 -6.504 -12.733 -4.168 1.00 0.00 O ATOM 480 CB ALA A 33 -7.679 -11.717 -6.973 1.00 0.00 C ATOM 0 H ALA A 33 -8.748 -11.795 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.484 -13.650 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.909 -12.099 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.551 -11.419 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.293 -10.854 -6.430 1.00 0.00 H new ATOM 486 N PRO A 34 -6.177 -14.339 -5.712 1.00 0.00 N ATOM 487 CA PRO A 34 -4.987 -14.896 -5.061 1.00 0.00 C ATOM 488 C PRO A 34 -3.765 -13.999 -5.222 1.00 0.00 C ATOM 489 O PRO A 34 -3.849 -12.917 -5.802 1.00 0.00 O ATOM 490 CB PRO A 34 -4.778 -16.223 -5.791 1.00 0.00 C ATOM 491 CG PRO A 34 -5.360 -16.004 -7.143 1.00 0.00 C ATOM 492 CD PRO A 34 -6.519 -15.064 -6.951 1.00 0.00 C ATOM 0 HA PRO A 34 -5.120 -15.001 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.720 -16.480 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.276 -17.043 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.621 -15.578 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.690 -16.945 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.628 -14.384 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.461 -15.604 -6.853 1.00 0.00 H new ATOM 500 N GLY A 35 -2.630 -14.457 -4.705 1.00 0.00 N ATOM 501 CA GLY A 35 -1.406 -13.683 -4.803 1.00 0.00 C ATOM 502 C GLY A 35 -1.325 -12.591 -3.754 1.00 0.00 C ATOM 503 O GLY A 35 -2.341 -12.186 -3.189 1.00 0.00 O ATOM 0 H GLY A 35 -2.536 -15.349 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.549 -14.349 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.341 -13.235 -5.795 1.00 0.00 H new ATOM 507 N GLN A 36 -0.113 -12.113 -3.494 1.00 0.00 N ATOM 508 CA GLN A 36 0.099 -11.062 -2.507 1.00 0.00 C ATOM 509 C GLN A 36 -0.419 -9.720 -3.019 1.00 0.00 C ATOM 510 O GLN A 36 -0.051 -9.275 -4.106 1.00 0.00 O ATOM 511 CB GLN A 36 1.586 -10.953 -2.161 1.00 0.00 C ATOM 512 CG GLN A 36 1.869 -11.021 -0.668 1.00 0.00 C ATOM 513 CD GLN A 36 2.300 -12.405 -0.221 1.00 0.00 C ATOM 514 OE1 GLN A 36 2.716 -13.231 -1.033 1.00 0.00 O ATOM 515 NE2 GLN A 36 2.200 -12.665 1.077 1.00 0.00 N ATOM 0 H GLN A 36 0.738 -12.437 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.458 -11.324 -1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.127 -11.756 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.974 -10.013 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.649 -10.302 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.975 -10.727 -0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.850 -11.950 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.474 -13.580 1.436 1.00 0.00 H new ATOM 524 N TRP A 37 -1.273 -9.081 -2.227 1.00 0.00 N ATOM 525 CA TRP A 37 -1.841 -7.790 -2.597 1.00 0.00 C ATOM 526 C TRP A 37 -1.414 -6.707 -1.612 1.00 0.00 C ATOM 527 O TRP A 37 -0.866 -7.001 -0.551 1.00 0.00 O ATOM 528 CB TRP A 37 -3.368 -7.876 -2.649 1.00 0.00 C ATOM 529 CG TRP A 37 -3.884 -8.537 -3.891 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.242 -9.847 -4.033 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.099 -7.920 -5.165 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.668 -10.082 -5.319 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.589 -8.915 -6.033 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.926 -6.623 -5.657 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.907 -8.653 -7.364 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.242 -6.364 -6.978 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.728 -7.375 -7.818 1.00 0.00 C ATOM 0 H TRP A 37 -1.587 -9.436 -1.324 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.466 -7.526 -3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.723 -8.427 -1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.784 -6.871 -2.582 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.197 -10.590 -3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.990 -10.979 -5.682 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.552 -5.837 -5.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.281 -9.430 -8.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.112 -5.366 -7.369 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.966 -7.140 -8.845 1.00 0.00 H new ATOM 548 N ALA A 38 -1.668 -5.453 -1.972 1.00 0.00 N ATOM 549 CA ALA A 38 -1.310 -4.327 -1.118 1.00 0.00 C ATOM 550 C ALA A 38 -2.402 -3.264 -1.121 1.00 0.00 C ATOM 551 O ALA A 38 -2.734 -2.703 -2.165 1.00 0.00 O ATOM 552 CB ALA A 38 0.015 -3.727 -1.566 1.00 0.00 C ATOM 0 H ALA A 38 -2.120 -5.192 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.204 -4.696 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.271 -2.887 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.797 -4.484 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.072 -3.380 -2.595 1.00 0.00 H new ATOM 558 N GLY A 39 -2.959 -2.992 0.055 1.00 0.00 N ATOM 559 CA GLY A 39 -4.010 -1.997 0.166 1.00 0.00 C ATOM 560 C GLY A 39 -3.469 -0.622 0.509 1.00 0.00 C ATOM 561 O GLY A 39 -3.136 -0.350 1.662 1.00 0.00 O ATOM 0 H GLY A 39 -2.701 -3.443 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.558 -1.945 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.721 -2.307 0.932 1.00 0.00 H new ATOM 565 N ILE A 40 -3.384 0.245 -0.494 1.00 0.00 N ATOM 566 CA ILE A 40 -2.879 1.598 -0.294 1.00 0.00 C ATOM 567 C ILE A 40 -4.017 2.613 -0.290 1.00 0.00 C ATOM 568 O ILE A 40 -5.012 2.448 -0.996 1.00 0.00 O ATOM 569 CB ILE A 40 -1.863 1.988 -1.384 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.806 0.893 -1.545 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.207 3.318 -1.045 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.106 0.923 -2.886 1.00 0.00 C ATOM 0 H ILE A 40 -3.658 0.035 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.381 1.609 0.675 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.393 2.096 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.063 0.997 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.279 -0.080 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.492 3.580 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.970 4.093 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.688 3.235 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.630 0.120 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.839 0.789 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.396 1.882 -3.013 1.00 0.00 H new ATOM 584 N VAL A 41 -3.864 3.664 0.510 1.00 0.00 N ATOM 585 CA VAL A 41 -4.877 4.707 0.605 1.00 0.00 C ATOM 586 C VAL A 41 -4.397 6.000 -0.045 1.00 0.00 C ATOM 587 O VAL A 41 -3.630 6.757 0.550 1.00 0.00 O ATOM 588 CB VAL A 41 -5.256 4.991 2.070 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.437 5.947 2.142 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.565 3.694 2.803 1.00 0.00 C ATOM 0 H VAL A 41 -3.047 3.815 1.102 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.757 4.342 0.075 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.405 5.465 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.690 6.135 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.174 6.887 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.295 5.505 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.831 3.915 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.398 3.189 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.688 3.047 2.784 1.00 0.00 H new ATOM 600 N LEU A 42 -4.853 6.247 -1.268 1.00 0.00 N ATOM 601 CA LEU A 42 -4.469 7.449 -1.999 1.00 0.00 C ATOM 602 C LEU A 42 -4.955 8.703 -1.279 1.00 0.00 C ATOM 603 O LEU A 42 -5.956 8.671 -0.562 1.00 0.00 O ATOM 604 CB LEU A 42 -5.037 7.411 -3.420 1.00 0.00 C ATOM 605 CG LEU A 42 -4.682 6.158 -4.223 1.00 0.00 C ATOM 606 CD1 LEU A 42 -5.647 5.981 -5.386 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.248 6.237 -4.725 1.00 0.00 C ATOM 0 H LEU A 42 -5.489 5.631 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.381 7.480 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.122 7.493 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.679 8.286 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.770 5.291 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.380 5.085 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.663 5.881 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.590 6.850 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.012 5.338 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.134 7.112 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.569 6.318 -3.876 1.00 0.00 H new ATOM 619 N ASP A 43 -4.241 9.806 -1.476 1.00 0.00 N ATOM 620 CA ASP A 43 -4.600 11.072 -0.846 1.00 0.00 C ATOM 621 C ASP A 43 -5.849 11.664 -1.487 1.00 0.00 C ATOM 622 O ASP A 43 -6.645 12.329 -0.824 1.00 0.00 O ATOM 623 CB ASP A 43 -3.439 12.063 -0.949 1.00 0.00 C ATOM 624 CG ASP A 43 -3.469 13.105 0.152 1.00 0.00 C ATOM 625 OD1 ASP A 43 -4.456 13.865 0.225 1.00 0.00 O ATOM 626 OD2 ASP A 43 -2.504 13.159 0.944 1.00 0.00 O ATOM 0 H ASP A 43 -3.411 9.849 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.812 10.879 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.496 11.519 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.475 12.561 -1.918 1.00 0.00 H new ATOM 631 N GLU A 44 -6.015 11.420 -2.783 1.00 0.00 N ATOM 632 CA GLU A 44 -7.168 11.929 -3.516 1.00 0.00 C ATOM 633 C GLU A 44 -7.984 10.785 -4.113 1.00 0.00 C ATOM 634 O GLU A 44 -7.440 9.730 -4.441 1.00 0.00 O ATOM 635 CB GLU A 44 -6.715 12.880 -4.625 1.00 0.00 C ATOM 636 CG GLU A 44 -6.249 14.234 -4.113 1.00 0.00 C ATOM 637 CD GLU A 44 -7.029 15.387 -4.714 1.00 0.00 C ATOM 638 OE1 GLU A 44 -8.204 15.181 -5.081 1.00 0.00 O ATOM 639 OE2 GLU A 44 -6.465 16.497 -4.816 1.00 0.00 O ATOM 0 H GLU A 44 -5.365 10.873 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.800 12.474 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.904 12.413 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.538 13.029 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.347 14.261 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.190 14.359 -4.340 1.00 0.00 H new ATOM 646 N PRO A 45 -9.306 10.979 -4.263 1.00 0.00 N ATOM 647 CA PRO A 45 -10.195 9.957 -4.824 1.00 0.00 C ATOM 648 C PRO A 45 -9.962 9.743 -6.316 1.00 0.00 C ATOM 649 O PRO A 45 -10.618 10.365 -7.152 1.00 0.00 O ATOM 650 CB PRO A 45 -11.593 10.527 -4.577 1.00 0.00 C ATOM 651 CG PRO A 45 -11.394 12.000 -4.509 1.00 0.00 C ATOM 652 CD PRO A 45 -10.036 12.208 -3.899 1.00 0.00 C ATOM 0 HA PRO A 45 -10.032 8.980 -4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.278 10.257 -5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.020 10.142 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.448 12.447 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.169 12.471 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.549 13.098 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.096 12.334 -2.818 1.00 0.00 H new ATOM 660 N ILE A 46 -9.024 8.860 -6.643 1.00 0.00 N ATOM 661 CA ILE A 46 -8.705 8.564 -8.035 1.00 0.00 C ATOM 662 C ILE A 46 -8.310 7.102 -8.209 1.00 0.00 C ATOM 663 O ILE A 46 -7.510 6.765 -9.082 1.00 0.00 O ATOM 664 CB ILE A 46 -7.561 9.458 -8.552 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.355 9.379 -7.612 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.036 10.896 -8.695 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.048 9.122 -8.328 1.00 0.00 C ATOM 0 H ILE A 46 -8.472 8.337 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.605 8.766 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.255 9.098 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.277 10.312 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.523 8.586 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.217 11.515 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.865 10.937 -9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.367 11.268 -7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.237 9.078 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.107 8.174 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.857 9.928 -9.037 1.00 0.00 H new ATOM 679 N GLY A 47 -8.875 6.238 -7.373 1.00 0.00 N ATOM 680 CA GLY A 47 -8.568 4.821 -7.452 1.00 0.00 C ATOM 681 C GLY A 47 -9.693 4.018 -8.075 1.00 0.00 C ATOM 682 O GLY A 47 -10.279 4.432 -9.075 1.00 0.00 O ATOM 0 H GLY A 47 -9.540 6.493 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.659 4.681 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.365 4.440 -6.451 1.00 0.00 H new ATOM 686 N LYS A 48 -9.993 2.866 -7.484 1.00 0.00 N ATOM 687 CA LYS A 48 -11.054 2.003 -7.988 1.00 0.00 C ATOM 688 C LYS A 48 -11.594 1.103 -6.882 1.00 0.00 C ATOM 689 O LYS A 48 -12.022 -0.023 -7.138 1.00 0.00 O ATOM 690 CB LYS A 48 -10.539 1.151 -9.150 1.00 0.00 C ATOM 691 CG LYS A 48 -10.425 1.913 -10.459 1.00 0.00 C ATOM 692 CD LYS A 48 -10.490 0.978 -11.657 1.00 0.00 C ATOM 693 CE LYS A 48 -9.714 1.531 -12.842 1.00 0.00 C ATOM 694 NZ LYS A 48 -8.639 0.601 -13.285 1.00 0.00 N ATOM 0 H LYS A 48 -9.516 2.509 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.866 2.637 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.561 0.747 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.207 0.301 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.228 2.647 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.486 2.466 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.088 0.003 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.531 0.824 -11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.399 1.715 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.275 2.491 -12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.134 1.015 -14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.971 0.445 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.060 -0.307 -13.567 1.00 0.00 H new ATOM 708 N ASN A 49 -11.571 1.606 -5.652 1.00 0.00 N ATOM 709 CA ASN A 49 -12.059 0.847 -4.506 1.00 0.00 C ATOM 710 C ASN A 49 -12.249 1.755 -3.294 1.00 0.00 C ATOM 711 O ASN A 49 -11.883 2.930 -3.324 1.00 0.00 O ATOM 712 CB ASN A 49 -11.086 -0.284 -4.167 1.00 0.00 C ATOM 713 CG ASN A 49 -11.546 -1.623 -4.709 1.00 0.00 C ATOM 714 OD1 ASN A 49 -12.740 -1.923 -4.724 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.597 -2.437 -5.157 1.00 0.00 N ATOM 0 H ASN A 49 -11.220 2.536 -5.423 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.026 0.417 -4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.103 -0.048 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.975 -0.352 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.846 -3.352 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.620 -2.147 -5.125 1.00 0.00 H new ATOM 722 N ASP A 50 -12.821 1.201 -2.231 1.00 0.00 N ATOM 723 CA ASP A 50 -13.058 1.960 -1.009 1.00 0.00 C ATOM 724 C ASP A 50 -12.923 1.067 0.221 1.00 0.00 C ATOM 725 O ASP A 50 -13.697 1.181 1.172 1.00 0.00 O ATOM 726 CB ASP A 50 -14.450 2.597 -1.041 1.00 0.00 C ATOM 727 CG ASP A 50 -15.538 1.592 -1.362 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.832 0.739 -0.497 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.097 1.656 -2.476 1.00 0.00 O ATOM 0 H ASP A 50 -13.129 0.229 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.307 2.747 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.658 3.058 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.465 3.394 -1.784 1.00 0.00 H new ATOM 734 N GLY A 51 -11.935 0.180 0.194 1.00 0.00 N ATOM 735 CA GLY A 51 -11.716 -0.720 1.312 1.00 0.00 C ATOM 736 C GLY A 51 -12.755 -1.822 1.383 1.00 0.00 C ATOM 737 O GLY A 51 -13.044 -2.343 2.460 1.00 0.00 O ATOM 0 H GLY A 51 -11.282 0.068 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.725 -1.165 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.731 -0.150 2.241 1.00 0.00 H new ATOM 741 N SER A 52 -13.318 -2.177 0.233 1.00 0.00 N ATOM 742 CA SER A 52 -14.330 -3.224 0.169 1.00 0.00 C ATOM 743 C SER A 52 -14.453 -3.776 -1.248 1.00 0.00 C ATOM 744 O SER A 52 -14.745 -3.038 -2.190 1.00 0.00 O ATOM 745 CB SER A 52 -15.683 -2.684 0.636 1.00 0.00 C ATOM 746 OG SER A 52 -16.510 -3.727 1.120 1.00 0.00 O ATOM 0 H SER A 52 -13.090 -1.755 -0.667 1.00 0.00 H new ATOM 0 HA SER A 52 -14.021 -4.034 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.531 -1.943 1.421 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.180 -2.176 -0.190 1.00 0.00 H new ATOM 0 HG SER A 52 -17.368 -3.355 1.414 1.00 0.00 H new ATOM 752 N VAL A 53 -14.227 -5.077 -1.393 1.00 0.00 N ATOM 753 CA VAL A 53 -14.312 -5.728 -2.695 1.00 0.00 C ATOM 754 C VAL A 53 -15.127 -7.014 -2.615 1.00 0.00 C ATOM 755 O VAL A 53 -14.839 -7.893 -1.802 1.00 0.00 O ATOM 756 CB VAL A 53 -12.914 -6.054 -3.253 1.00 0.00 C ATOM 757 CG1 VAL A 53 -13.013 -6.545 -4.689 1.00 0.00 C ATOM 758 CG2 VAL A 53 -12.004 -4.839 -3.158 1.00 0.00 C ATOM 0 H VAL A 53 -13.983 -5.702 -0.624 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.809 -5.027 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.480 -6.852 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.015 -6.770 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.626 -7.446 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.469 -5.772 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.021 -5.089 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.432 -4.018 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.907 -4.538 -2.115 1.00 0.00 H new ATOM 768 N ALA A 54 -16.146 -7.116 -3.461 1.00 0.00 N ATOM 769 CA ALA A 54 -17.003 -8.295 -3.486 1.00 0.00 C ATOM 770 C ALA A 54 -17.694 -8.500 -2.143 1.00 0.00 C ATOM 771 O ALA A 54 -17.975 -9.630 -1.743 1.00 0.00 O ATOM 772 CB ALA A 54 -16.194 -9.527 -3.859 1.00 0.00 C ATOM 0 H ALA A 54 -16.399 -6.396 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.774 -8.138 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.847 -10.400 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.752 -9.387 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.402 -9.678 -3.125 1.00 0.00 H new ATOM 778 N GLY A 55 -17.965 -7.399 -1.449 1.00 0.00 N ATOM 779 CA GLY A 55 -18.621 -7.480 -0.157 1.00 0.00 C ATOM 780 C GLY A 55 -17.676 -7.907 0.948 1.00 0.00 C ATOM 781 O GLY A 55 -18.090 -8.540 1.919 1.00 0.00 O ATOM 0 H GLY A 55 -17.742 -6.453 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.049 -6.509 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.448 -8.187 -0.217 1.00 0.00 H new ATOM 785 N VAL A 56 -16.401 -7.561 0.800 1.00 0.00 N ATOM 786 CA VAL A 56 -15.393 -7.914 1.793 1.00 0.00 C ATOM 787 C VAL A 56 -14.492 -6.726 2.108 1.00 0.00 C ATOM 788 O VAL A 56 -13.763 -6.241 1.243 1.00 0.00 O ATOM 789 CB VAL A 56 -14.522 -9.092 1.318 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.616 -9.574 2.439 1.00 0.00 C ATOM 791 CG2 VAL A 56 -15.395 -10.227 0.803 1.00 0.00 C ATOM 0 H VAL A 56 -16.042 -7.037 0.002 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.929 -8.210 2.695 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.893 -8.746 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -13.009 -10.406 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.965 -8.759 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -14.224 -9.902 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.763 -11.051 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.052 -10.572 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.997 -9.872 -0.034 1.00 0.00 H new ATOM 801 N ARG A 57 -14.547 -6.259 3.351 1.00 0.00 N ATOM 802 CA ARG A 57 -13.735 -5.126 3.779 1.00 0.00 C ATOM 803 C ARG A 57 -12.357 -5.589 4.239 1.00 0.00 C ATOM 804 O ARG A 57 -12.210 -6.674 4.802 1.00 0.00 O ATOM 805 CB ARG A 57 -14.435 -4.368 4.909 1.00 0.00 C ATOM 806 CG ARG A 57 -13.816 -3.013 5.207 1.00 0.00 C ATOM 807 CD ARG A 57 -14.164 -2.538 6.609 1.00 0.00 C ATOM 808 NE ARG A 57 -15.600 -2.330 6.776 1.00 0.00 N ATOM 809 CZ ARG A 57 -16.135 -1.602 7.754 1.00 0.00 C ATOM 810 NH1 ARG A 57 -15.356 -1.011 8.652 1.00 0.00 N ATOM 811 NH2 ARG A 57 -17.450 -1.463 7.833 1.00 0.00 N ATOM 0 H ARG A 57 -15.146 -6.648 4.080 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.609 -4.458 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.484 -4.229 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.410 -4.976 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.733 -3.075 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.166 -2.283 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.817 -3.272 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.636 -1.607 6.818 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.230 -2.768 6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.343 -1.114 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.771 -0.454 9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.053 -1.914 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.860 -0.905 8.582 1.00 0.00 H new ATOM 825 N TYR A 58 -11.348 -4.757 3.996 1.00 0.00 N ATOM 826 CA TYR A 58 -9.980 -5.081 4.386 1.00 0.00 C ATOM 827 C TYR A 58 -9.357 -3.941 5.184 1.00 0.00 C ATOM 828 O TYR A 58 -8.728 -4.164 6.218 1.00 0.00 O ATOM 829 CB TYR A 58 -9.131 -5.375 3.147 1.00 0.00 C ATOM 830 CG TYR A 58 -9.597 -6.583 2.366 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.701 -6.507 1.526 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.934 -7.799 2.468 1.00 0.00 C ATOM 833 CE1 TYR A 58 -11.130 -7.608 0.810 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.356 -8.905 1.756 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.455 -8.804 0.928 1.00 0.00 C ATOM 836 OH TYR A 58 -10.878 -9.903 0.217 1.00 0.00 O ATOM 0 H TYR A 58 -11.452 -3.855 3.532 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.009 -5.969 5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.144 -4.503 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.096 -5.528 3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.233 -5.572 1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.073 -7.881 3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.990 -7.532 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.829 -9.843 1.847 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.814 -9.716 -0.743 1.00 0.00 H new ATOM 846 N PHE A 59 -9.536 -2.717 4.697 1.00 0.00 N ATOM 847 CA PHE A 59 -8.992 -1.541 5.365 1.00 0.00 C ATOM 848 C PHE A 59 -9.945 -0.357 5.246 1.00 0.00 C ATOM 849 O PHE A 59 -10.502 -0.101 4.178 1.00 0.00 O ATOM 850 CB PHE A 59 -7.630 -1.177 4.773 1.00 0.00 C ATOM 851 CG PHE A 59 -7.691 -0.770 3.328 1.00 0.00 C ATOM 852 CD1 PHE A 59 -8.109 -1.667 2.358 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.332 0.511 2.940 1.00 0.00 C ATOM 854 CE1 PHE A 59 -8.167 -1.295 1.028 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.388 0.890 1.611 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.806 -0.015 0.655 1.00 0.00 C ATOM 0 H PHE A 59 -10.054 -2.514 3.842 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.869 -1.779 6.422 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.197 -0.362 5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.960 -2.031 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.393 -2.669 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.005 1.222 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.494 -2.004 0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.106 1.891 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.851 0.278 -0.384 1.00 0.00 H new ATOM 866 N GLN A 60 -10.129 0.362 6.348 1.00 0.00 N ATOM 867 CA GLN A 60 -11.014 1.521 6.367 1.00 0.00 C ATOM 868 C GLN A 60 -10.410 2.681 5.581 1.00 0.00 C ATOM 869 O GLN A 60 -9.239 3.021 5.759 1.00 0.00 O ATOM 870 CB GLN A 60 -11.292 1.954 7.807 1.00 0.00 C ATOM 871 CG GLN A 60 -12.299 3.087 7.918 1.00 0.00 C ATOM 872 CD GLN A 60 -13.723 2.589 8.076 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.970 1.588 8.750 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.666 3.284 7.453 1.00 0.00 N ATOM 0 H GLN A 60 -9.677 0.162 7.240 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.954 1.236 5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.659 1.096 8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.356 2.264 8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.041 3.715 8.771 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.234 3.714 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.415 4.107 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.642 2.995 7.522 1.00 0.00 H new ATOM 883 N CYS A 61 -11.215 3.284 4.713 1.00 0.00 N ATOM 884 CA CYS A 61 -10.758 4.406 3.901 1.00 0.00 C ATOM 885 C CYS A 61 -11.941 5.165 3.308 1.00 0.00 C ATOM 886 O CYS A 61 -13.096 4.876 3.619 1.00 0.00 O ATOM 887 CB CYS A 61 -9.840 3.912 2.782 1.00 0.00 C ATOM 888 SG CYS A 61 -10.650 2.818 1.592 1.00 0.00 S ATOM 0 H CYS A 61 -12.186 3.015 4.554 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.200 5.086 4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.436 4.774 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.994 3.386 3.226 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.830 1.870 1.246 1.00 0.00 H new ATOM 894 N GLU A 62 -11.644 6.138 2.453 1.00 0.00 N ATOM 895 CA GLU A 62 -12.683 6.939 1.816 1.00 0.00 C ATOM 896 C GLU A 62 -13.065 6.356 0.457 1.00 0.00 C ATOM 897 O GLU A 62 -12.395 5.459 -0.054 1.00 0.00 O ATOM 898 CB GLU A 62 -12.211 8.385 1.651 1.00 0.00 C ATOM 899 CG GLU A 62 -12.557 9.278 2.832 1.00 0.00 C ATOM 900 CD GLU A 62 -13.477 10.421 2.451 1.00 0.00 C ATOM 901 OE1 GLU A 62 -13.014 11.348 1.753 1.00 0.00 O ATOM 902 OE2 GLU A 62 -14.660 10.390 2.851 1.00 0.00 O ATOM 0 H GLU A 62 -10.693 6.391 2.185 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.564 6.923 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.131 8.391 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.656 8.803 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.032 8.678 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.639 9.682 3.258 1.00 0.00 H new ATOM 909 N PRO A 63 -14.155 6.861 -0.147 1.00 0.00 N ATOM 910 CA PRO A 63 -14.628 6.385 -1.452 1.00 0.00 C ATOM 911 C PRO A 63 -13.593 6.593 -2.553 1.00 0.00 C ATOM 912 O PRO A 63 -13.048 7.686 -2.709 1.00 0.00 O ATOM 913 CB PRO A 63 -15.873 7.239 -1.724 1.00 0.00 C ATOM 914 CG PRO A 63 -16.283 7.766 -0.392 1.00 0.00 C ATOM 915 CD PRO A 63 -15.015 7.928 0.394 1.00 0.00 C ATOM 0 HA PRO A 63 -14.827 5.313 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.650 8.050 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.668 6.644 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.805 8.718 -0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.967 7.079 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.574 8.914 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.184 7.807 1.464 1.00 0.00 H new ATOM 923 N LEU A 64 -13.332 5.537 -3.319 1.00 0.00 N ATOM 924 CA LEU A 64 -12.370 5.600 -4.411 1.00 0.00 C ATOM 925 C LEU A 64 -11.020 6.130 -3.934 1.00 0.00 C ATOM 926 O LEU A 64 -10.314 6.815 -4.675 1.00 0.00 O ATOM 927 CB LEU A 64 -12.912 6.481 -5.536 1.00 0.00 C ATOM 928 CG LEU A 64 -13.751 5.750 -6.585 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.685 6.720 -7.291 1.00 0.00 C ATOM 930 CD2 LEU A 64 -12.852 5.045 -7.589 1.00 0.00 C ATOM 0 H LEU A 64 -13.776 4.626 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.220 4.588 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.518 7.273 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.072 6.963 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.357 4.998 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.274 6.182 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.352 7.179 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.099 7.495 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.466 4.530 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.220 5.779 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.225 4.320 -7.070 1.00 0.00 H new ATOM 942 N LYS A 65 -10.664 5.808 -2.695 1.00 0.00 N ATOM 943 CA LYS A 65 -9.396 6.252 -2.125 1.00 0.00 C ATOM 944 C LYS A 65 -8.438 5.078 -1.952 1.00 0.00 C ATOM 945 O LYS A 65 -7.220 5.239 -2.046 1.00 0.00 O ATOM 946 CB LYS A 65 -9.628 6.939 -0.778 1.00 0.00 C ATOM 947 CG LYS A 65 -10.053 8.393 -0.902 1.00 0.00 C ATOM 948 CD LYS A 65 -9.186 9.306 -0.050 1.00 0.00 C ATOM 949 CE LYS A 65 -9.531 10.769 -0.272 1.00 0.00 C ATOM 950 NZ LYS A 65 -10.800 11.150 0.408 1.00 0.00 N ATOM 0 H LYS A 65 -11.234 5.242 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.947 6.967 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.393 6.391 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.712 6.886 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.992 8.702 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.095 8.495 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.318 9.056 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.136 9.139 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.719 11.394 0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.620 10.963 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.849 12.185 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.609 10.812 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.830 10.719 1.354 1.00 0.00 H new ATOM 964 N GLY A 66 -8.994 3.898 -1.698 1.00 0.00 N ATOM 965 CA GLY A 66 -8.173 2.715 -1.517 1.00 0.00 C ATOM 966 C GLY A 66 -8.127 1.846 -2.759 1.00 0.00 C ATOM 967 O GLY A 66 -9.162 1.550 -3.355 1.00 0.00 O ATOM 0 H GLY A 66 -9.998 3.740 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.160 3.017 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.561 2.131 -0.683 1.00 0.00 H new ATOM 971 N ILE A 67 -6.925 1.437 -3.149 1.00 0.00 N ATOM 972 CA ILE A 67 -6.748 0.598 -4.328 1.00 0.00 C ATOM 973 C ILE A 67 -5.804 -0.564 -4.037 1.00 0.00 C ATOM 974 O ILE A 67 -4.930 -0.468 -3.176 1.00 0.00 O ATOM 975 CB ILE A 67 -6.202 1.412 -5.519 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.109 0.539 -6.773 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.843 2.007 -5.180 1.00 0.00 C ATOM 978 CD1 ILE A 67 -7.449 0.022 -7.251 1.00 0.00 C ATOM 0 H ILE A 67 -6.058 1.673 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.730 0.204 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.895 2.229 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.645 1.115 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.454 -0.308 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.473 2.578 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.939 2.665 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.142 1.205 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.306 -0.588 -8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.907 -0.582 -6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.100 0.863 -7.488 1.00 0.00 H new ATOM 990 N PHE A 68 -5.989 -1.662 -4.762 1.00 0.00 N ATOM 991 CA PHE A 68 -5.155 -2.846 -4.584 1.00 0.00 C ATOM 992 C PHE A 68 -4.210 -3.028 -5.767 1.00 0.00 C ATOM 993 O PHE A 68 -4.645 -3.107 -6.916 1.00 0.00 O ATOM 994 CB PHE A 68 -6.029 -4.090 -4.418 1.00 0.00 C ATOM 995 CG PHE A 68 -6.734 -4.156 -3.094 1.00 0.00 C ATOM 996 CD1 PHE A 68 -6.079 -4.631 -1.969 1.00 0.00 C ATOM 997 CD2 PHE A 68 -8.051 -3.744 -2.974 1.00 0.00 C ATOM 998 CE1 PHE A 68 -6.724 -4.694 -0.749 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.702 -3.804 -1.756 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.038 -4.279 -0.643 1.00 0.00 C ATOM 0 H PHE A 68 -6.709 -1.757 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.557 -2.707 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.770 -4.112 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.408 -4.978 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.052 -4.956 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.575 -3.372 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.202 -5.067 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.729 -3.480 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.545 -4.326 0.310 1.00 0.00 H new ATOM 1010 N THR A 69 -2.914 -3.094 -5.478 1.00 0.00 N ATOM 1011 CA THR A 69 -1.907 -3.267 -6.518 1.00 0.00 C ATOM 1012 C THR A 69 -0.727 -4.082 -6.001 1.00 0.00 C ATOM 1013 O THR A 69 -0.632 -4.369 -4.808 1.00 0.00 O ATOM 1014 CB THR A 69 -1.421 -1.905 -7.019 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.363 -2.061 -7.948 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.929 -1.001 -5.909 1.00 0.00 C ATOM 0 H THR A 69 -2.537 -3.030 -4.532 1.00 0.00 H new ATOM 0 HA THR A 69 -2.365 -3.808 -7.346 1.00 0.00 H new ATOM 0 HB THR A 69 -2.290 -1.441 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.067 -1.180 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.599 -0.052 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.738 -0.821 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.095 -1.478 -5.394 1.00 0.00 H new ATOM 1024 N ARG A 70 0.172 -4.454 -6.907 1.00 0.00 N ATOM 1025 CA ARG A 70 1.347 -5.236 -6.542 1.00 0.00 C ATOM 1026 C ARG A 70 2.463 -4.330 -6.022 1.00 0.00 C ATOM 1027 O ARG A 70 2.802 -3.330 -6.653 1.00 0.00 O ATOM 1028 CB ARG A 70 1.845 -6.037 -7.747 1.00 0.00 C ATOM 1029 CG ARG A 70 0.742 -6.787 -8.476 1.00 0.00 C ATOM 1030 CD ARG A 70 0.794 -6.541 -9.976 1.00 0.00 C ATOM 1031 NE ARG A 70 -0.505 -6.746 -10.611 1.00 0.00 N ATOM 1032 CZ ARG A 70 -0.829 -6.270 -11.811 1.00 0.00 C ATOM 1033 NH1 ARG A 70 0.050 -5.561 -12.509 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -2.033 -6.501 -12.314 1.00 0.00 N ATOM 0 H ARG A 70 0.109 -4.226 -7.899 1.00 0.00 H new ATOM 0 HA ARG A 70 1.063 -5.926 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.335 -5.359 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.598 -6.750 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.835 -7.855 -8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.228 -6.475 -8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.133 -5.522 -10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.527 -7.209 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.206 -7.286 -10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.978 -5.379 -12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.202 -5.198 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.713 -7.044 -11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.280 -6.136 -13.234 1.00 0.00 H new ATOM 1048 N PRO A 71 3.056 -4.669 -4.861 1.00 0.00 N ATOM 1049 CA PRO A 71 4.138 -3.874 -4.269 1.00 0.00 C ATOM 1050 C PRO A 71 5.301 -3.677 -5.234 1.00 0.00 C ATOM 1051 O PRO A 71 5.843 -2.578 -5.355 1.00 0.00 O ATOM 1052 CB PRO A 71 4.584 -4.707 -3.064 1.00 0.00 C ATOM 1053 CG PRO A 71 3.410 -5.562 -2.732 1.00 0.00 C ATOM 1054 CD PRO A 71 2.721 -5.845 -4.037 1.00 0.00 C ATOM 0 HA PRO A 71 3.805 -2.870 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.458 -5.312 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.859 -4.070 -2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.725 -6.487 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.740 -5.053 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.081 -6.769 -4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.644 -5.952 -3.908 1.00 0.00 H new ATOM 1062 N SER A 72 5.681 -4.751 -5.918 1.00 0.00 N ATOM 1063 CA SER A 72 6.782 -4.702 -6.874 1.00 0.00 C ATOM 1064 C SER A 72 6.535 -3.648 -7.950 1.00 0.00 C ATOM 1065 O SER A 72 7.474 -3.167 -8.586 1.00 0.00 O ATOM 1066 CB SER A 72 6.980 -6.073 -7.523 1.00 0.00 C ATOM 1067 OG SER A 72 8.357 -6.393 -7.631 1.00 0.00 O ATOM 0 H SER A 72 5.242 -5.667 -5.828 1.00 0.00 H new ATOM 0 HA SER A 72 7.686 -4.427 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.472 -6.835 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.523 -6.080 -8.513 1.00 0.00 H new ATOM 0 HG SER A 72 8.456 -7.275 -8.047 1.00 0.00 H new ATOM 1073 N LYS A 73 5.269 -3.293 -8.152 1.00 0.00 N ATOM 1074 CA LYS A 73 4.908 -2.297 -9.156 1.00 0.00 C ATOM 1075 C LYS A 73 4.743 -0.916 -8.527 1.00 0.00 C ATOM 1076 O LYS A 73 3.940 -0.106 -8.989 1.00 0.00 O ATOM 1077 CB LYS A 73 3.615 -2.704 -9.864 1.00 0.00 C ATOM 1078 CG LYS A 73 3.800 -3.832 -10.866 1.00 0.00 C ATOM 1079 CD LYS A 73 4.430 -3.336 -12.158 1.00 0.00 C ATOM 1080 CE LYS A 73 5.895 -3.733 -12.253 1.00 0.00 C ATOM 1081 NZ LYS A 73 6.502 -3.311 -13.545 1.00 0.00 N ATOM 0 H LYS A 73 4.478 -3.679 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 73 5.717 -2.247 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.882 -3.009 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.203 -1.836 -10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.428 -4.608 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.834 -4.288 -11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.886 -3.744 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.342 -2.251 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.447 -3.283 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.986 -4.814 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.501 -3.600 -13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.991 -3.761 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.439 -2.277 -13.637 1.00 0.00 H new ATOM 1095 N LEU A 74 5.511 -0.652 -7.474 1.00 0.00 N ATOM 1096 CA LEU A 74 5.449 0.635 -6.789 1.00 0.00 C ATOM 1097 C LEU A 74 6.833 1.271 -6.702 1.00 0.00 C ATOM 1098 O LEU A 74 7.846 0.610 -6.929 1.00 0.00 O ATOM 1099 CB LEU A 74 4.865 0.464 -5.384 1.00 0.00 C ATOM 1100 CG LEU A 74 3.627 -0.429 -5.300 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.129 -0.515 -3.864 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.528 0.092 -6.215 1.00 0.00 C ATOM 0 H LEU A 74 6.182 -1.310 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 74 4.800 1.294 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.637 0.051 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.611 1.448 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 74 3.903 -1.430 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.247 -1.155 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.912 -0.934 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.871 0.482 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.655 -0.557 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.254 1.104 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.886 0.103 -7.244 1.00 0.00 H new ATOM 1114 N THR A 75 6.868 2.558 -6.373 1.00 0.00 N ATOM 1115 CA THR A 75 8.127 3.285 -6.257 1.00 0.00 C ATOM 1116 C THR A 75 8.244 3.957 -4.893 1.00 0.00 C ATOM 1117 O THR A 75 7.253 4.120 -4.182 1.00 0.00 O ATOM 1118 CB THR A 75 8.239 4.333 -7.366 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.986 3.751 -8.633 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.599 4.995 -7.429 1.00 0.00 C ATOM 0 H THR A 75 6.038 3.120 -6.182 1.00 0.00 H new ATOM 0 HA THR A 75 8.942 2.568 -6.360 1.00 0.00 H new ATOM 0 HB THR A 75 7.494 5.091 -7.123 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.061 4.437 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.610 5.727 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.804 5.496 -6.483 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.363 4.240 -7.613 1.00 0.00 H new ATOM 1128 N ARG A 76 9.464 4.344 -4.535 1.00 0.00 N ATOM 1129 CA ARG A 76 9.714 4.999 -3.256 1.00 0.00 C ATOM 1130 C ARG A 76 9.944 6.495 -3.447 1.00 0.00 C ATOM 1131 O ARG A 76 11.076 6.938 -3.643 1.00 0.00 O ATOM 1132 CB ARG A 76 10.922 4.367 -2.563 1.00 0.00 C ATOM 1133 CG ARG A 76 10.552 3.293 -1.554 1.00 0.00 C ATOM 1134 CD ARG A 76 11.761 2.466 -1.148 1.00 0.00 C ATOM 1135 NE ARG A 76 12.580 3.146 -0.145 1.00 0.00 N ATOM 1136 CZ ARG A 76 13.566 3.992 -0.436 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.866 4.271 -1.699 1.00 0.00 N ATOM 1138 NH2 ARG A 76 14.257 4.562 0.542 1.00 0.00 N ATOM 0 H ARG A 76 10.295 4.215 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 76 8.834 4.864 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.578 3.934 -3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.490 5.148 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.115 3.758 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.790 2.640 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.427 1.506 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.368 2.255 -2.029 1.00 0.00 H new ATOM 0 HE ARG A 76 12.384 2.961 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.339 3.836 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.623 4.920 -1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.033 4.352 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.013 5.210 0.322 1.00 0.00 H new ATOM 1152 N LYS A 77 8.864 7.267 -3.390 1.00 0.00 N ATOM 1153 CA LYS A 77 8.948 8.713 -3.556 1.00 0.00 C ATOM 1154 C LYS A 77 9.488 9.071 -4.937 1.00 0.00 C ATOM 1155 O LYS A 77 10.165 8.268 -5.578 1.00 0.00 O ATOM 1156 CB LYS A 77 9.840 9.322 -2.472 1.00 0.00 C ATOM 1157 CG LYS A 77 9.317 10.639 -1.922 1.00 0.00 C ATOM 1158 CD LYS A 77 10.123 11.101 -0.718 1.00 0.00 C ATOM 1159 CE LYS A 77 9.219 11.521 0.431 1.00 0.00 C ATOM 1160 NZ LYS A 77 8.761 10.353 1.233 1.00 0.00 N ATOM 0 H LYS A 77 7.920 6.915 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 77 7.943 9.124 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.940 8.610 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.838 9.479 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.356 11.401 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.271 10.526 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.781 10.297 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.761 11.937 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.753 12.218 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.353 12.052 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.148 10.682 2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.229 9.700 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.586 9.861 1.631 1.00 0.00 H new