USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 461 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 112 SER OG : rot 180:sc= -0.192 USER MOD Set 1.2: A 114 GLN :FLIP amide:sc= 0.155 F(o=-6.8!,f=-0.052) USER MOD Set 1.3: A 127 TYR OH : rot -38:sc= 0.989 USER MOD Set 1.4: A 131 ASN :FLIP amide:sc= -1! F(o=-0.7,f=-0.052!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.0896 USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= -0.0438 (180deg=-0.32) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -15:sc= -1.19 USER MOD Single : A 117 LYS NZ :NH3+ 141:sc= -0.701! (180deg=-2.35!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.856) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.5) USER MOD Single : A 129 HIS : no HD1:sc= -0.179 K(o=-0.18,f=-1.3) USER MOD Single : A 130 LYS NZ :NH3+ -141:sc= -0.119 (180deg=-0.8) USER MOD Single : A 134 THR OG1 : rot -57:sc= 0.482 USER MOD Single : A 135 SER OG : rot 171:sc= -0.478 USER MOD Single : A 137 LYS NZ :NH3+ -161:sc= -0.0583 (180deg=-0.533) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 25.368 -1.606 -24.870 1.00 0.00 N ATOM 135 CA PRO A 87 26.223 -2.176 -25.951 1.00 0.00 C ATOM 136 C PRO A 87 26.229 -1.293 -27.197 1.00 0.00 C ATOM 137 O PRO A 87 25.191 -0.783 -27.616 1.00 0.00 O ATOM 138 CB PRO A 87 25.567 -3.528 -26.247 1.00 0.00 C ATOM 139 CG PRO A 87 24.848 -3.901 -24.994 1.00 0.00 C ATOM 140 CD PRO A 87 24.394 -2.590 -24.366 1.00 0.00 C ATOM 0 HA PRO A 87 27.268 -2.257 -25.653 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.878 -3.455 -27.089 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.313 -4.278 -26.510 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.996 -4.546 -25.210 1.00 0.00 H new ATOM 0 HG3 PRO A 87 25.502 -4.452 -24.318 1.00 0.00 H new ATOM 0 HD2 PRO A 87 23.377 -2.335 -24.663 1.00 0.00 H new ATOM 0 HD3 PRO A 87 24.405 -2.643 -23.277 1.00 0.00 H new ATOM 148 N CYS A 88 27.408 -1.117 -27.779 1.00 0.00 N ATOM 149 CA CYS A 88 27.547 -0.293 -28.973 1.00 0.00 C ATOM 150 C CYS A 88 26.745 -0.880 -30.130 1.00 0.00 C ATOM 151 O CYS A 88 26.718 -2.094 -30.322 1.00 0.00 O ATOM 152 CB CYS A 88 29.020 -0.190 -29.373 1.00 0.00 C ATOM 153 SG CYS A 88 29.173 0.837 -30.856 1.00 0.00 S ATOM 0 H CYS A 88 28.278 -1.532 -27.446 1.00 0.00 H new ATOM 0 HA CYS A 88 27.162 0.701 -28.747 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.600 0.242 -28.557 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.427 -1.183 -29.562 1.00 0.00 H new ATOM 0 HG CYS A 88 30.425 0.926 -31.195 1.00 0.00 H new ATOM 159 N GLY A 89 26.096 -0.008 -30.897 1.00 0.00 N ATOM 160 CA GLY A 89 25.298 -0.449 -32.034 1.00 0.00 C ATOM 161 C GLY A 89 23.808 -0.334 -31.742 1.00 0.00 C ATOM 162 O GLY A 89 22.981 -0.461 -32.644 1.00 0.00 O ATOM 0 H GLY A 89 26.107 1.002 -30.752 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.546 0.151 -32.910 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.545 -1.483 -32.275 1.00 0.00 H new ATOM 166 N TRP A 90 23.474 -0.083 -30.480 1.00 0.00 N ATOM 167 CA TRP A 90 22.081 0.058 -30.075 1.00 0.00 C ATOM 168 C TRP A 90 21.801 1.478 -29.594 1.00 0.00 C ATOM 169 O TRP A 90 22.645 2.099 -28.950 1.00 0.00 O ATOM 170 CB TRP A 90 21.757 -0.938 -28.965 1.00 0.00 C ATOM 171 CG TRP A 90 21.736 -2.322 -29.529 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.808 -3.141 -29.620 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.605 -3.065 -30.072 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.410 -4.337 -30.190 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.061 -4.339 -30.484 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.243 -2.759 -30.247 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.195 -5.278 -31.050 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.370 -3.701 -30.814 1.00 0.00 C ATOM 179 CH2 TRP A 90 18.846 -4.957 -31.215 1.00 0.00 C ATOM 0 H TRP A 90 24.148 0.027 -29.722 1.00 0.00 H new ATOM 0 HA TRP A 90 21.449 -0.147 -30.939 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.500 -0.869 -28.171 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.791 -0.701 -28.519 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.811 -2.901 -29.300 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.036 -5.121 -30.371 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.867 -1.793 -29.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.566 -6.245 -31.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.326 -3.457 -30.942 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.169 -5.677 -31.652 1.00 0.00 H new ATOM 190 N GLU A 91 20.611 1.982 -29.909 1.00 0.00 N ATOM 191 CA GLU A 91 20.228 3.328 -29.500 1.00 0.00 C ATOM 192 C GLU A 91 18.945 3.290 -28.677 1.00 0.00 C ATOM 193 O GLU A 91 18.151 2.363 -28.802 1.00 0.00 O ATOM 194 CB GLU A 91 20.022 4.211 -30.728 1.00 0.00 C ATOM 195 CG GLU A 91 21.348 4.354 -31.480 1.00 0.00 C ATOM 196 CD GLU A 91 21.159 5.245 -32.702 1.00 0.00 C ATOM 197 OE1 GLU A 91 20.038 5.669 -32.936 1.00 0.00 O ATOM 198 OE2 GLU A 91 22.137 5.493 -33.387 1.00 0.00 O ATOM 0 H GLU A 91 19.900 1.482 -30.443 1.00 0.00 H new ATOM 0 HA GLU A 91 21.029 3.743 -28.888 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.266 3.774 -31.381 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.655 5.192 -30.427 1.00 0.00 H new ATOM 0 HG2 GLU A 91 22.105 4.781 -30.822 1.00 0.00 H new ATOM 0 HG3 GLU A 91 21.709 3.373 -31.787 1.00 0.00 H new ATOM 205 N ARG A 92 18.754 4.305 -27.836 1.00 0.00 N ATOM 206 CA ARG A 92 17.564 4.379 -26.995 1.00 0.00 C ATOM 207 C ARG A 92 16.799 5.671 -27.265 1.00 0.00 C ATOM 208 O ARG A 92 17.378 6.755 -27.269 1.00 0.00 O ATOM 209 CB ARG A 92 17.963 4.317 -25.519 1.00 0.00 C ATOM 210 CG ARG A 92 16.705 4.372 -24.650 1.00 0.00 C ATOM 211 CD ARG A 92 17.078 4.081 -23.195 1.00 0.00 C ATOM 212 NE ARG A 92 17.979 5.114 -22.693 1.00 0.00 N ATOM 213 CZ ARG A 92 19.293 4.919 -22.636 1.00 0.00 C ATOM 214 NH1 ARG A 92 19.805 3.788 -23.045 1.00 0.00 N ATOM 215 NH2 ARG A 92 20.073 5.858 -22.177 1.00 0.00 N ATOM 0 H ARG A 92 19.404 5.082 -27.720 1.00 0.00 H new ATOM 0 HA ARG A 92 16.920 3.532 -27.232 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.517 3.400 -25.319 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.624 5.148 -25.274 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.239 5.354 -24.728 1.00 0.00 H new ATOM 0 HG3 ARG A 92 15.974 3.644 -25.002 1.00 0.00 H new ATOM 0 HD2 ARG A 92 16.178 4.043 -22.581 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.556 3.104 -23.122 1.00 0.00 H new ATOM 0 HE ARG A 92 17.592 6.004 -22.379 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.196 3.054 -23.408 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.813 3.639 -23.001 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.675 6.743 -21.861 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.081 5.708 -22.134 1.00 0.00 H new ATOM 229 N VAL A 93 15.499 5.540 -27.495 1.00 0.00 N ATOM 230 CA VAL A 93 14.652 6.695 -27.771 1.00 0.00 C ATOM 231 C VAL A 93 13.466 6.743 -26.819 1.00 0.00 C ATOM 232 O VAL A 93 12.890 5.709 -26.485 1.00 0.00 O ATOM 233 CB VAL A 93 14.148 6.640 -29.214 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.975 7.608 -29.380 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.279 7.052 -30.164 1.00 0.00 C ATOM 0 H VAL A 93 15.007 4.646 -27.496 1.00 0.00 H new ATOM 0 HA VAL A 93 15.249 7.595 -27.626 1.00 0.00 H new ATOM 0 HB VAL A 93 13.823 5.626 -29.447 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.615 7.570 -30.408 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.170 7.324 -28.702 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.304 8.621 -29.148 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.922 7.013 -31.193 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.600 8.067 -29.929 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.120 6.369 -30.046 1.00 0.00 H new ATOM 245 N VAL A 94 13.108 7.951 -26.387 1.00 0.00 N ATOM 246 CA VAL A 94 11.978 8.119 -25.481 1.00 0.00 C ATOM 247 C VAL A 94 10.944 9.061 -26.088 1.00 0.00 C ATOM 248 O VAL A 94 11.273 10.173 -26.502 1.00 0.00 O ATOM 249 CB VAL A 94 12.462 8.681 -24.144 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.510 7.742 -23.544 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.083 10.061 -24.368 1.00 0.00 C ATOM 0 H VAL A 94 13.579 8.817 -26.647 1.00 0.00 H new ATOM 0 HA VAL A 94 11.515 7.145 -25.319 1.00 0.00 H new ATOM 0 HB VAL A 94 11.618 8.767 -23.459 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.855 8.143 -22.591 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.069 6.758 -23.385 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.354 7.655 -24.228 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.429 10.463 -23.416 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.927 9.974 -25.053 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.337 10.731 -24.795 1.00 0.00 H new ATOM 261 N LYS A 95 9.694 8.610 -26.135 1.00 0.00 N ATOM 262 CA LYS A 95 8.617 9.421 -26.691 1.00 0.00 C ATOM 263 C LYS A 95 7.476 9.567 -25.693 1.00 0.00 C ATOM 264 O LYS A 95 7.009 8.584 -25.121 1.00 0.00 O ATOM 265 CB LYS A 95 8.089 8.771 -27.976 1.00 0.00 C ATOM 266 CG LYS A 95 9.006 9.124 -29.151 1.00 0.00 C ATOM 267 CD LYS A 95 8.879 10.617 -29.472 1.00 0.00 C ATOM 268 CE LYS A 95 8.887 10.817 -30.985 1.00 0.00 C ATOM 269 NZ LYS A 95 7.608 10.308 -31.557 1.00 0.00 N ATOM 0 H LYS A 95 9.403 7.693 -25.797 1.00 0.00 H new ATOM 0 HA LYS A 95 9.015 10.411 -26.914 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.040 7.689 -27.853 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.075 9.115 -28.178 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.040 8.881 -28.904 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.739 8.530 -30.025 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.957 11.014 -29.047 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.702 11.168 -29.018 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.010 11.874 -31.223 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.732 10.290 -31.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.395 10.818 -32.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.698 9.292 -31.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.838 10.459 -30.875 1.00 0.00 H new ATOM 283 N GLN A 96 7.037 10.804 -25.488 1.00 0.00 N ATOM 284 CA GLN A 96 5.950 11.069 -24.552 1.00 0.00 C ATOM 285 C GLN A 96 4.600 10.980 -25.258 1.00 0.00 C ATOM 286 O GLN A 96 4.409 11.563 -26.322 1.00 0.00 O ATOM 287 CB GLN A 96 6.114 12.465 -23.942 1.00 0.00 C ATOM 288 CG GLN A 96 7.446 12.544 -23.193 1.00 0.00 C ATOM 289 CD GLN A 96 7.645 13.946 -22.628 1.00 0.00 C ATOM 290 OE1 GLN A 96 7.522 14.155 -21.421 1.00 0.00 O ATOM 291 NE2 GLN A 96 7.938 14.929 -23.435 1.00 0.00 N ATOM 0 H GLN A 96 7.412 11.631 -25.952 1.00 0.00 H new ATOM 0 HA GLN A 96 5.986 10.319 -23.762 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.080 13.222 -24.726 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.289 12.675 -23.261 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.462 11.812 -22.385 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.266 12.295 -23.866 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.040 14.755 -24.435 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.065 15.871 -23.066 1.00 0.00 H new ATOM 300 N ARG A 97 3.680 10.234 -24.660 1.00 0.00 N ATOM 301 CA ARG A 97 2.352 10.070 -25.238 1.00 0.00 C ATOM 302 C ARG A 97 1.470 11.264 -24.912 1.00 0.00 C ATOM 303 O ARG A 97 1.351 11.658 -23.753 1.00 0.00 O ATOM 304 CB ARG A 97 1.692 8.796 -24.705 1.00 0.00 C ATOM 305 CG ARG A 97 1.842 7.668 -25.732 1.00 0.00 C ATOM 306 CD ARG A 97 1.044 6.449 -25.271 1.00 0.00 C ATOM 307 NE ARG A 97 1.794 5.703 -24.269 1.00 0.00 N ATOM 308 CZ ARG A 97 1.177 4.910 -23.398 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.122 4.796 -23.430 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.871 4.248 -22.514 1.00 0.00 N ATOM 0 H ARG A 97 3.827 9.736 -23.782 1.00 0.00 H new ATOM 0 HA ARG A 97 2.465 9.996 -26.320 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.152 8.505 -23.761 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.637 8.979 -24.503 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.487 8.000 -26.707 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.893 7.405 -25.848 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.088 6.768 -24.857 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.824 5.806 -26.123 1.00 0.00 H new ATOM 0 HE ARG A 97 2.810 5.791 -24.235 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.663 5.315 -24.122 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.597 4.188 -22.763 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.887 4.339 -22.491 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.398 3.640 -21.846 1.00 0.00 H new ATOM 324 N LEU A 98 0.852 11.837 -25.942 1.00 0.00 N ATOM 325 CA LEU A 98 -0.030 12.984 -25.757 1.00 0.00 C ATOM 326 C LEU A 98 -1.464 12.614 -26.087 1.00 0.00 C ATOM 327 O LEU A 98 -1.871 12.649 -27.246 1.00 0.00 O ATOM 328 CB LEU A 98 0.420 14.154 -26.641 1.00 0.00 C ATOM 329 CG LEU A 98 1.549 14.924 -25.951 1.00 0.00 C ATOM 330 CD1 LEU A 98 1.006 15.594 -24.683 1.00 0.00 C ATOM 331 CD2 LEU A 98 2.677 13.961 -25.576 1.00 0.00 C ATOM 0 H LEU A 98 0.946 11.527 -26.909 1.00 0.00 H new ATOM 0 HA LEU A 98 0.023 13.288 -24.712 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.760 13.781 -27.607 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.421 14.820 -26.834 1.00 0.00 H new ATOM 0 HG LEU A 98 1.936 15.684 -26.630 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.808 16.143 -24.190 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.205 16.283 -24.950 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.618 14.832 -24.007 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.479 14.513 -25.085 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.294 13.198 -24.898 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.063 13.485 -26.477 1.00 0.00 H new ATOM 343 N PHE A 99 -2.231 12.263 -25.057 1.00 0.00 N ATOM 344 CA PHE A 99 -3.628 11.887 -25.251 1.00 0.00 C ATOM 345 C PHE A 99 -4.538 12.707 -24.343 1.00 0.00 C ATOM 346 O PHE A 99 -4.849 13.861 -24.636 1.00 0.00 O ATOM 347 CB PHE A 99 -3.814 10.398 -24.952 1.00 0.00 C ATOM 348 CG PHE A 99 -3.302 9.582 -26.115 1.00 0.00 C ATOM 349 CD1 PHE A 99 -3.958 9.639 -27.351 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.171 8.772 -25.959 1.00 0.00 C ATOM 351 CE1 PHE A 99 -3.483 8.886 -28.430 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.698 8.016 -27.039 1.00 0.00 C ATOM 353 CZ PHE A 99 -2.354 8.074 -28.274 1.00 0.00 C ATOM 0 H PHE A 99 -1.912 12.231 -24.089 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.896 12.087 -26.288 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.278 10.129 -24.042 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.868 10.180 -24.777 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.830 10.264 -27.471 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.664 8.730 -25.007 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.988 8.931 -29.384 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.827 7.388 -26.919 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.989 7.492 -29.107 1.00 0.00 H new ATOM 363 N GLY A 100 -4.957 12.103 -23.236 1.00 0.00 N ATOM 364 CA GLY A 100 -5.824 12.790 -22.287 1.00 0.00 C ATOM 365 C GLY A 100 -5.844 12.070 -20.944 1.00 0.00 C ATOM 366 O GLY A 100 -5.312 12.568 -19.951 1.00 0.00 O ATOM 0 H GLY A 100 -4.713 11.148 -22.976 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.478 13.814 -22.149 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.836 12.846 -22.688 1.00 0.00 H new ATOM 370 N LYS A 101 -6.469 10.899 -20.916 1.00 0.00 N ATOM 371 CA LYS A 101 -6.560 10.120 -19.690 1.00 0.00 C ATOM 372 C LYS A 101 -5.193 9.576 -19.287 1.00 0.00 C ATOM 373 O LYS A 101 -4.844 9.563 -18.105 1.00 0.00 O ATOM 374 CB LYS A 101 -7.538 8.961 -19.879 1.00 0.00 C ATOM 375 CG LYS A 101 -7.713 8.214 -18.553 1.00 0.00 C ATOM 376 CD LYS A 101 -8.912 7.265 -18.648 1.00 0.00 C ATOM 377 CE LYS A 101 -8.584 6.116 -19.604 1.00 0.00 C ATOM 378 NZ LYS A 101 -9.632 5.066 -19.494 1.00 0.00 N ATOM 0 H LYS A 101 -6.918 10.470 -21.725 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.920 10.775 -18.897 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.500 9.337 -20.226 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.167 8.280 -20.645 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.809 7.651 -18.320 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.864 8.925 -17.741 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.156 6.872 -17.661 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.790 7.806 -19.002 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.530 6.485 -20.628 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.607 5.697 -19.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.410 4.285 -20.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.663 4.707 -18.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.557 5.471 -19.743 1.00 0.00 H new ATOM 392 N THR A 102 -4.429 9.112 -20.277 1.00 0.00 N ATOM 393 CA THR A 102 -3.115 8.552 -20.007 1.00 0.00 C ATOM 394 C THR A 102 -2.026 9.573 -20.279 1.00 0.00 C ATOM 395 O THR A 102 -0.911 9.433 -19.779 1.00 0.00 O ATOM 396 CB THR A 102 -2.894 7.315 -20.883 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.950 7.692 -22.252 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.982 6.277 -20.594 1.00 0.00 C ATOM 0 H THR A 102 -4.698 9.115 -21.261 1.00 0.00 H new ATOM 0 HA THR A 102 -3.068 8.271 -18.955 1.00 0.00 H new ATOM 0 HB THR A 102 -1.918 6.884 -20.662 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.807 6.903 -22.815 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.822 5.398 -21.219 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.939 5.988 -19.544 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.960 6.705 -20.813 1.00 0.00 H new ATOM 406 N ALA A 103 -2.355 10.587 -21.078 1.00 0.00 N ATOM 407 CA ALA A 103 -1.391 11.632 -21.416 1.00 0.00 C ATOM 408 C ALA A 103 -0.370 11.804 -20.294 1.00 0.00 C ATOM 409 O ALA A 103 -0.718 11.746 -19.114 1.00 0.00 O ATOM 410 CB ALA A 103 -2.121 12.956 -21.635 1.00 0.00 C ATOM 0 H ALA A 103 -3.276 10.707 -21.501 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.871 11.339 -22.328 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.399 13.732 -21.887 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.836 12.847 -22.451 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.650 13.235 -20.724 1.00 0.00 H new ATOM 416 N GLY A 104 0.887 11.983 -20.672 1.00 0.00 N ATOM 417 CA GLY A 104 1.956 12.131 -19.690 1.00 0.00 C ATOM 418 C GLY A 104 2.708 10.817 -19.492 1.00 0.00 C ATOM 419 O GLY A 104 3.733 10.775 -18.810 1.00 0.00 O ATOM 0 H GLY A 104 1.193 12.029 -21.644 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.650 12.905 -20.018 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.537 12.460 -18.739 1.00 0.00 H new ATOM 423 N ARG A 105 2.196 9.750 -20.097 1.00 0.00 N ATOM 424 CA ARG A 105 2.833 8.442 -19.985 1.00 0.00 C ATOM 425 C ARG A 105 4.235 8.478 -20.581 1.00 0.00 C ATOM 426 O ARG A 105 4.607 9.440 -21.252 1.00 0.00 O ATOM 427 CB ARG A 105 1.994 7.388 -20.710 1.00 0.00 C ATOM 428 CG ARG A 105 1.797 6.173 -19.802 1.00 0.00 C ATOM 429 CD ARG A 105 0.735 6.493 -18.747 1.00 0.00 C ATOM 430 NE ARG A 105 0.594 7.937 -18.589 1.00 0.00 N ATOM 431 CZ ARG A 105 0.075 8.462 -17.485 1.00 0.00 C ATOM 432 NH1 ARG A 105 -0.320 7.682 -16.518 1.00 0.00 N ATOM 433 NH2 ARG A 105 -0.035 9.756 -17.368 1.00 0.00 N ATOM 0 H ARG A 105 1.349 9.764 -20.665 1.00 0.00 H new ATOM 0 HA ARG A 105 2.906 8.183 -18.929 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.027 7.807 -20.988 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.489 7.088 -21.634 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.490 5.310 -20.393 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.738 5.910 -19.319 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.220 6.058 -19.040 1.00 0.00 H new ATOM 0 HD3 ARG A 105 1.012 6.042 -17.794 1.00 0.00 H new ATOM 0 HE ARG A 105 0.900 8.555 -19.341 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.230 6.670 -16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.719 8.084 -15.669 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.278 10.365 -18.124 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.434 10.159 -16.520 1.00 0.00 H new ATOM 447 N PHE A 106 5.009 7.426 -20.326 1.00 0.00 N ATOM 448 CA PHE A 106 6.372 7.351 -20.839 1.00 0.00 C ATOM 449 C PHE A 106 6.552 6.117 -21.717 1.00 0.00 C ATOM 450 O PHE A 106 6.282 4.997 -21.283 1.00 0.00 O ATOM 451 CB PHE A 106 7.359 7.297 -19.671 1.00 0.00 C ATOM 452 CG PHE A 106 7.253 8.565 -18.858 1.00 0.00 C ATOM 453 CD1 PHE A 106 6.329 8.648 -17.810 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.079 9.657 -19.151 1.00 0.00 C ATOM 455 CE1 PHE A 106 6.229 9.823 -17.056 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.980 10.833 -18.396 1.00 0.00 C ATOM 457 CZ PHE A 106 7.054 10.915 -17.350 1.00 0.00 C ATOM 0 H PHE A 106 4.718 6.621 -19.772 1.00 0.00 H new ATOM 0 HA PHE A 106 6.564 8.238 -21.442 1.00 0.00 H new ATOM 0 HB2 PHE A 106 7.147 6.432 -19.043 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.375 7.178 -20.046 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.693 7.805 -17.583 1.00 0.00 H new ATOM 0 HD2 PHE A 106 8.793 9.593 -19.959 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.516 9.887 -16.248 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.618 11.675 -18.621 1.00 0.00 H new ATOM 0 HZ PHE A 106 6.976 11.822 -16.769 1.00 0.00 H new ATOM 467 N ASP A 107 7.017 6.332 -22.944 1.00 0.00 N ATOM 468 CA ASP A 107 7.242 5.227 -23.871 1.00 0.00 C ATOM 469 C ASP A 107 8.673 5.260 -24.393 1.00 0.00 C ATOM 470 O ASP A 107 9.125 6.272 -24.930 1.00 0.00 O ATOM 471 CB ASP A 107 6.263 5.318 -25.041 1.00 0.00 C ATOM 472 CG ASP A 107 4.864 5.627 -24.523 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.581 6.792 -24.295 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.091 4.696 -24.370 1.00 0.00 O ATOM 0 H ASP A 107 7.244 7.254 -23.318 1.00 0.00 H new ATOM 0 HA ASP A 107 7.080 4.288 -23.341 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.583 6.095 -25.735 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.256 4.379 -25.595 1.00 0.00 H new ATOM 479 N VAL A 108 9.384 4.149 -24.229 1.00 0.00 N ATOM 480 CA VAL A 108 10.768 4.067 -24.687 1.00 0.00 C ATOM 481 C VAL A 108 11.019 2.744 -25.404 1.00 0.00 C ATOM 482 O VAL A 108 10.360 1.743 -25.127 1.00 0.00 O ATOM 483 CB VAL A 108 11.713 4.184 -23.489 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.326 5.402 -22.646 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.616 2.922 -22.634 1.00 0.00 C ATOM 0 H VAL A 108 9.030 3.301 -23.787 1.00 0.00 H new ATOM 0 HA VAL A 108 10.953 4.884 -25.384 1.00 0.00 H new ATOM 0 HB VAL A 108 12.736 4.301 -23.848 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.000 5.483 -21.793 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.399 6.304 -23.254 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.302 5.287 -22.289 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.290 3.007 -21.781 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.593 2.802 -22.277 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.896 2.055 -23.232 1.00 0.00 H new ATOM 495 N TYR A 109 11.979 2.748 -26.321 1.00 0.00 N ATOM 496 CA TYR A 109 12.318 1.544 -27.068 1.00 0.00 C ATOM 497 C TYR A 109 13.751 1.616 -27.581 1.00 0.00 C ATOM 498 O TYR A 109 14.339 2.694 -27.650 1.00 0.00 O ATOM 499 CB TYR A 109 11.353 1.365 -28.241 1.00 0.00 C ATOM 500 CG TYR A 109 11.366 2.610 -29.091 1.00 0.00 C ATOM 501 CD1 TYR A 109 12.320 2.762 -30.103 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.417 3.616 -28.867 1.00 0.00 C ATOM 503 CE1 TYR A 109 12.327 3.919 -30.890 1.00 0.00 C ATOM 504 CE2 TYR A 109 10.423 4.773 -29.654 1.00 0.00 C ATOM 505 CZ TYR A 109 11.378 4.925 -30.666 1.00 0.00 C ATOM 506 OH TYR A 109 11.386 6.065 -31.444 1.00 0.00 O ATOM 0 H TYR A 109 12.534 3.568 -26.564 1.00 0.00 H new ATOM 0 HA TYR A 109 12.231 0.688 -26.399 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.644 0.500 -28.838 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.345 1.173 -27.872 1.00 0.00 H new ATOM 0 HD1 TYR A 109 13.051 1.986 -30.277 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.680 3.498 -28.086 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.064 4.037 -31.670 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.691 5.548 -29.481 1.00 0.00 H new ATOM 0 HH TYR A 109 12.237 6.126 -31.926 1.00 0.00 H new ATOM 516 N PHE A 110 14.306 0.460 -27.934 1.00 0.00 N ATOM 517 CA PHE A 110 15.676 0.404 -28.429 1.00 0.00 C ATOM 518 C PHE A 110 15.694 0.180 -29.936 1.00 0.00 C ATOM 519 O PHE A 110 14.819 -0.493 -30.480 1.00 0.00 O ATOM 520 CB PHE A 110 16.435 -0.731 -27.737 1.00 0.00 C ATOM 521 CG PHE A 110 16.610 -0.403 -26.274 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.637 -0.795 -25.347 1.00 0.00 C ATOM 523 CD2 PHE A 110 17.746 0.292 -25.843 1.00 0.00 C ATOM 524 CE1 PHE A 110 15.800 -0.490 -23.990 1.00 0.00 C ATOM 525 CE2 PHE A 110 17.909 0.595 -24.487 1.00 0.00 C ATOM 526 CZ PHE A 110 16.936 0.205 -23.560 1.00 0.00 C ATOM 0 H PHE A 110 13.833 -0.442 -27.887 1.00 0.00 H new ATOM 0 HA PHE A 110 16.160 1.355 -28.208 1.00 0.00 H new ATOM 0 HB2 PHE A 110 15.889 -1.668 -27.847 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.408 -0.872 -28.208 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.761 -1.333 -25.678 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.497 0.594 -26.558 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.049 -0.791 -23.275 1.00 0.00 H new ATOM 0 HE2 PHE A 110 18.786 1.130 -24.155 1.00 0.00 H new ATOM 0 HZ PHE A 110 17.062 0.440 -22.513 1.00 0.00 H new ATOM 536 N ILE A 111 16.694 0.754 -30.602 1.00 0.00 N ATOM 537 CA ILE A 111 16.813 0.613 -32.049 1.00 0.00 C ATOM 538 C ILE A 111 18.137 -0.046 -32.415 1.00 0.00 C ATOM 539 O ILE A 111 19.204 0.410 -31.999 1.00 0.00 O ATOM 540 CB ILE A 111 16.723 1.986 -32.717 1.00 0.00 C ATOM 541 CG1 ILE A 111 15.402 2.652 -32.335 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.787 1.819 -34.237 1.00 0.00 C ATOM 543 CD1 ILE A 111 15.367 4.079 -32.886 1.00 0.00 C ATOM 0 H ILE A 111 17.426 1.315 -30.167 1.00 0.00 H new ATOM 0 HA ILE A 111 15.996 -0.017 -32.402 1.00 0.00 H new ATOM 0 HB ILE A 111 17.554 2.607 -32.384 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.565 2.077 -32.733 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.291 2.667 -31.251 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.723 2.797 -34.714 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.728 1.343 -34.511 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.955 1.198 -34.570 1.00 0.00 H new ATOM 0 HD11 ILE A 111 14.424 4.552 -32.612 1.00 0.00 H new ATOM 0 HD12 ILE A 111 16.195 4.651 -32.467 1.00 0.00 H new ATOM 0 HD13 ILE A 111 15.457 4.052 -33.972 1.00 0.00 H new ATOM 555 N SER A 112 18.063 -1.120 -33.194 1.00 0.00 N ATOM 556 CA SER A 112 19.261 -1.834 -33.606 1.00 0.00 C ATOM 557 C SER A 112 19.880 -1.171 -34.833 1.00 0.00 C ATOM 558 O SER A 112 19.349 -0.194 -35.362 1.00 0.00 O ATOM 559 CB SER A 112 18.926 -3.290 -33.928 1.00 0.00 C ATOM 560 OG SER A 112 18.925 -3.471 -35.341 1.00 0.00 O ATOM 0 H SER A 112 17.191 -1.511 -33.550 1.00 0.00 H new ATOM 0 HA SER A 112 19.977 -1.803 -32.784 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.656 -3.954 -33.465 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.951 -3.551 -33.516 1.00 0.00 H new ATOM 0 HG SER A 112 18.712 -4.404 -35.551 1.00 0.00 H new ATOM 566 N PRO A 113 20.991 -1.678 -35.285 1.00 0.00 N ATOM 567 CA PRO A 113 21.713 -1.128 -36.471 1.00 0.00 C ATOM 568 C PRO A 113 20.854 -1.157 -37.733 1.00 0.00 C ATOM 569 O PRO A 113 21.019 -0.329 -38.629 1.00 0.00 O ATOM 570 CB PRO A 113 22.932 -2.048 -36.621 1.00 0.00 C ATOM 571 CG PRO A 113 23.095 -2.706 -35.293 1.00 0.00 C ATOM 572 CD PRO A 113 21.692 -2.845 -34.726 1.00 0.00 C ATOM 0 HA PRO A 113 21.980 -0.080 -36.333 1.00 0.00 H new ATOM 0 HB2 PRO A 113 22.774 -2.785 -37.408 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.822 -1.480 -36.890 1.00 0.00 H new ATOM 0 HG2 PRO A 113 23.574 -3.680 -35.395 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.725 -2.108 -34.635 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.224 -3.781 -35.031 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.694 -2.830 -33.636 1.00 0.00 H new ATOM 580 N GLN A 114 19.942 -2.123 -37.800 1.00 0.00 N ATOM 581 CA GLN A 114 19.071 -2.256 -38.961 1.00 0.00 C ATOM 582 C GLN A 114 18.006 -1.167 -38.961 1.00 0.00 C ATOM 583 O GLN A 114 17.353 -0.926 -39.978 1.00 0.00 O ATOM 584 CB GLN A 114 18.397 -3.630 -38.953 1.00 0.00 C ATOM 585 CG GLN A 114 19.448 -4.717 -39.189 1.00 0.00 C ATOM 586 CD GLN A 114 18.780 -6.089 -39.229 1.00 0.00 C ATOM 587 OE1 GLN A 114 19.334 -7.094 -38.609 1.00 0.00 O flip ATOM 588 NE2 GLN A 114 17.725 -6.247 -39.845 1.00 0.00 N flip ATOM 0 H GLN A 114 19.788 -2.819 -37.070 1.00 0.00 H new ATOM 0 HA GLN A 114 19.679 -2.153 -39.860 1.00 0.00 H new ATOM 0 HB2 GLN A 114 17.896 -3.795 -37.999 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.631 -3.676 -39.728 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.971 -4.531 -40.127 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.195 -4.690 -38.396 1.00 0.00 H new ATOM 0 HE21 GLN A 114 17.294 -5.459 -40.329 1.00 0.00 H new ATOM 0 HE22 GLN A 114 17.282 -7.166 -39.871 1.00 0.00 H new ATOM 597 N GLY A 115 17.839 -0.508 -37.819 1.00 0.00 N ATOM 598 CA GLY A 115 16.850 0.555 -37.702 1.00 0.00 C ATOM 599 C GLY A 115 15.514 0.007 -37.209 1.00 0.00 C ATOM 600 O GLY A 115 14.496 0.699 -37.248 1.00 0.00 O ATOM 0 H GLY A 115 18.371 -0.690 -36.968 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.211 1.318 -37.012 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.714 1.038 -38.669 1.00 0.00 H new ATOM 604 N LEU A 116 15.525 -1.239 -36.747 1.00 0.00 N ATOM 605 CA LEU A 116 14.307 -1.870 -36.249 1.00 0.00 C ATOM 606 C LEU A 116 14.066 -1.488 -34.791 1.00 0.00 C ATOM 607 O LEU A 116 15.001 -1.435 -33.992 1.00 0.00 O ATOM 608 CB LEU A 116 14.422 -3.391 -36.366 1.00 0.00 C ATOM 609 CG LEU A 116 14.645 -3.773 -37.830 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.867 -5.281 -37.936 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.415 -3.382 -38.655 1.00 0.00 C ATOM 0 H LEU A 116 16.357 -1.828 -36.707 1.00 0.00 H new ATOM 0 HA LEU A 116 13.467 -1.522 -36.850 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.249 -3.752 -35.755 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.516 -3.865 -35.989 1.00 0.00 H new ATOM 0 HG LEU A 116 15.521 -3.248 -38.211 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.026 -5.553 -38.980 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.742 -5.562 -37.350 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.991 -5.805 -37.554 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.575 -3.655 -39.698 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.539 -3.906 -38.273 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.255 -2.306 -38.582 1.00 0.00 H new ATOM 623 N LYS A 117 12.809 -1.219 -34.453 1.00 0.00 N ATOM 624 CA LYS A 117 12.459 -0.836 -33.091 1.00 0.00 C ATOM 625 C LYS A 117 11.791 -1.994 -32.362 1.00 0.00 C ATOM 626 O LYS A 117 11.085 -2.798 -32.971 1.00 0.00 O ATOM 627 CB LYS A 117 11.509 0.364 -33.120 1.00 0.00 C ATOM 628 CG LYS A 117 12.137 1.499 -33.932 1.00 0.00 C ATOM 629 CD LYS A 117 11.147 1.977 -34.994 1.00 0.00 C ATOM 630 CE LYS A 117 11.788 3.088 -35.827 1.00 0.00 C ATOM 631 NZ LYS A 117 12.980 2.547 -36.542 1.00 0.00 N ATOM 0 H LYS A 117 12.021 -1.259 -35.099 1.00 0.00 H new ATOM 0 HA LYS A 117 13.373 -0.569 -32.561 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.555 0.074 -33.560 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.303 0.701 -32.104 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.407 2.325 -33.274 1.00 0.00 H new ATOM 0 HG3 LYS A 117 13.057 1.155 -34.406 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.859 1.146 -35.638 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.237 2.343 -34.519 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.068 3.481 -36.544 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.082 3.917 -35.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.024 2.952 -37.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.843 2.799 -36.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.905 1.512 -36.607 1.00 0.00 H new ATOM 645 N PHE A 118 12.020 -2.073 -31.055 1.00 0.00 N ATOM 646 CA PHE A 118 11.428 -3.137 -30.253 1.00 0.00 C ATOM 647 C PHE A 118 10.888 -2.575 -28.942 1.00 0.00 C ATOM 648 O PHE A 118 11.573 -1.820 -28.252 1.00 0.00 O ATOM 649 CB PHE A 118 12.475 -4.211 -29.957 1.00 0.00 C ATOM 650 CG PHE A 118 13.084 -4.691 -31.252 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.292 -5.366 -32.191 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.438 -4.460 -31.517 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.857 -5.807 -33.393 1.00 0.00 C ATOM 654 CE2 PHE A 118 15.003 -4.903 -32.719 1.00 0.00 C ATOM 655 CZ PHE A 118 14.212 -5.576 -33.657 1.00 0.00 C ATOM 0 H PHE A 118 12.605 -1.420 -30.533 1.00 0.00 H new ATOM 0 HA PHE A 118 10.605 -3.579 -30.815 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.250 -3.808 -29.305 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.016 -5.046 -29.427 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.247 -5.546 -31.987 1.00 0.00 H new ATOM 0 HD2 PHE A 118 15.048 -3.939 -30.794 1.00 0.00 H new ATOM 0 HE1 PHE A 118 12.247 -6.326 -34.118 1.00 0.00 H new ATOM 0 HE2 PHE A 118 16.049 -4.725 -32.922 1.00 0.00 H new ATOM 0 HZ PHE A 118 14.647 -5.917 -34.585 1.00 0.00 H new ATOM 665 N ARG A 119 9.659 -2.954 -28.602 1.00 0.00 N ATOM 666 CA ARG A 119 9.037 -2.485 -27.369 1.00 0.00 C ATOM 667 C ARG A 119 8.573 -3.666 -26.522 1.00 0.00 C ATOM 668 O ARG A 119 7.989 -3.482 -25.453 1.00 0.00 O ATOM 669 CB ARG A 119 7.843 -1.589 -27.692 1.00 0.00 C ATOM 670 CG ARG A 119 7.113 -2.133 -28.923 1.00 0.00 C ATOM 671 CD ARG A 119 5.690 -1.580 -28.959 1.00 0.00 C ATOM 672 NE ARG A 119 4.736 -2.616 -28.568 1.00 0.00 N ATOM 673 CZ ARG A 119 3.690 -2.338 -27.794 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.493 -1.117 -27.375 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.853 -3.281 -27.469 1.00 0.00 N ATOM 0 H ARG A 119 9.078 -3.580 -29.159 1.00 0.00 H new ATOM 0 HA ARG A 119 9.776 -1.914 -26.807 1.00 0.00 H new ATOM 0 HB2 ARG A 119 7.163 -1.550 -26.841 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.180 -0.569 -27.877 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.647 -1.850 -29.830 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.090 -3.222 -28.893 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.607 -0.726 -28.287 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.457 -1.220 -29.961 1.00 0.00 H new ATOM 0 HE ARG A 119 4.875 -3.572 -28.895 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.141 -0.376 -27.641 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.691 -0.905 -26.782 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.999 -4.232 -27.808 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.051 -3.069 -26.876 1.00 0.00 H new ATOM 689 N SER A 120 8.841 -4.875 -27.001 1.00 0.00 N ATOM 690 CA SER A 120 8.447 -6.077 -26.275 1.00 0.00 C ATOM 691 C SER A 120 9.566 -7.113 -26.309 1.00 0.00 C ATOM 692 O SER A 120 10.224 -7.299 -27.332 1.00 0.00 O ATOM 693 CB SER A 120 7.183 -6.669 -26.901 1.00 0.00 C ATOM 694 OG SER A 120 6.831 -7.862 -26.211 1.00 0.00 O ATOM 0 H SER A 120 9.325 -5.049 -27.882 1.00 0.00 H new ATOM 0 HA SER A 120 8.249 -5.807 -25.238 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.366 -5.950 -26.848 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.352 -6.882 -27.957 1.00 0.00 H new ATOM 0 HG SER A 120 6.020 -8.243 -26.609 1.00 0.00 H new ATOM 700 N LYS A 121 9.769 -7.790 -25.183 1.00 0.00 N ATOM 701 CA LYS A 121 10.807 -8.811 -25.098 1.00 0.00 C ATOM 702 C LYS A 121 10.524 -9.945 -26.078 1.00 0.00 C ATOM 703 O LYS A 121 11.448 -10.531 -26.643 1.00 0.00 O ATOM 704 CB LYS A 121 10.876 -9.363 -23.672 1.00 0.00 C ATOM 705 CG LYS A 121 9.460 -9.597 -23.144 1.00 0.00 C ATOM 706 CD LYS A 121 9.485 -10.673 -22.058 1.00 0.00 C ATOM 707 CE LYS A 121 10.318 -10.183 -20.871 1.00 0.00 C ATOM 708 NZ LYS A 121 9.762 -8.892 -20.377 1.00 0.00 N ATOM 0 H LYS A 121 9.235 -7.652 -24.325 1.00 0.00 H new ATOM 0 HA LYS A 121 11.764 -8.357 -25.357 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.439 -10.296 -23.659 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.405 -8.663 -23.025 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.054 -8.669 -22.741 1.00 0.00 H new ATOM 0 HG3 LYS A 121 8.804 -9.904 -23.959 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.470 -10.901 -21.734 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.907 -11.596 -22.456 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.307 -10.926 -20.073 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.358 -10.053 -21.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.984 -8.782 -19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.183 -8.105 -20.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.730 -8.886 -20.507 1.00 0.00 H new ATOM 722 N SER A 122 9.243 -10.252 -26.269 1.00 0.00 N ATOM 723 CA SER A 122 8.859 -11.325 -27.184 1.00 0.00 C ATOM 724 C SER A 122 9.292 -10.989 -28.607 1.00 0.00 C ATOM 725 O SER A 122 9.984 -11.770 -29.256 1.00 0.00 O ATOM 726 CB SER A 122 7.343 -11.514 -27.144 1.00 0.00 C ATOM 727 OG SER A 122 6.959 -11.956 -25.849 1.00 0.00 O ATOM 0 H SER A 122 8.463 -9.781 -25.810 1.00 0.00 H new ATOM 0 HA SER A 122 9.352 -12.246 -26.873 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.842 -10.576 -27.384 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.036 -12.242 -27.895 1.00 0.00 H new ATOM 0 HG SER A 122 5.987 -12.077 -25.819 1.00 0.00 H new ATOM 733 N SER A 123 8.899 -9.808 -29.078 1.00 0.00 N ATOM 734 CA SER A 123 9.254 -9.383 -30.428 1.00 0.00 C ATOM 735 C SER A 123 10.764 -9.459 -30.615 1.00 0.00 C ATOM 736 O SER A 123 11.246 -9.845 -31.681 1.00 0.00 O ATOM 737 CB SER A 123 8.787 -7.942 -30.655 1.00 0.00 C ATOM 738 OG SER A 123 7.368 -7.893 -30.614 1.00 0.00 O ATOM 0 H SER A 123 8.341 -9.136 -28.552 1.00 0.00 H new ATOM 0 HA SER A 123 8.767 -10.042 -31.147 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.207 -7.288 -29.891 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.147 -7.579 -31.618 1.00 0.00 H new ATOM 0 HG SER A 123 7.068 -6.971 -30.757 1.00 0.00 H new ATOM 744 N LEU A 124 11.507 -9.098 -29.574 1.00 0.00 N ATOM 745 CA LEU A 124 12.961 -9.138 -29.643 1.00 0.00 C ATOM 746 C LEU A 124 13.445 -10.561 -29.915 1.00 0.00 C ATOM 747 O LEU A 124 14.295 -10.783 -30.773 1.00 0.00 O ATOM 748 CB LEU A 124 13.560 -8.637 -28.325 1.00 0.00 C ATOM 749 CG LEU A 124 15.090 -8.680 -28.401 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.569 -7.770 -29.534 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.678 -8.196 -27.077 1.00 0.00 C ATOM 0 H LEU A 124 11.130 -8.778 -28.682 1.00 0.00 H new ATOM 0 HA LEU A 124 13.286 -8.493 -30.459 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.225 -7.619 -28.126 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.210 -9.255 -27.498 1.00 0.00 H new ATOM 0 HG LEU A 124 15.417 -9.702 -28.592 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.657 -7.800 -29.589 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.148 -8.113 -30.479 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.243 -6.748 -29.342 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.766 -8.226 -27.130 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.352 -7.174 -26.886 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.336 -8.843 -26.269 1.00 0.00 H new ATOM 763 N ALA A 125 12.898 -11.520 -29.180 1.00 0.00 N ATOM 764 CA ALA A 125 13.279 -12.917 -29.354 1.00 0.00 C ATOM 765 C ALA A 125 12.938 -13.387 -30.766 1.00 0.00 C ATOM 766 O ALA A 125 13.603 -14.265 -31.315 1.00 0.00 O ATOM 767 CB ALA A 125 12.554 -13.789 -28.329 1.00 0.00 C ATOM 0 H ALA A 125 12.193 -11.359 -28.461 1.00 0.00 H new ATOM 0 HA ALA A 125 14.355 -13.006 -29.203 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.845 -14.830 -28.467 1.00 0.00 H new ATOM 0 HB2 ALA A 125 12.823 -13.467 -27.323 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.477 -13.692 -28.466 1.00 0.00 H new ATOM 773 N ASN A 126 11.892 -12.800 -31.342 1.00 0.00 N ATOM 774 CA ASN A 126 11.466 -13.165 -32.691 1.00 0.00 C ATOM 775 C ASN A 126 12.392 -12.542 -33.733 1.00 0.00 C ATOM 776 O ASN A 126 12.838 -13.211 -34.662 1.00 0.00 O ATOM 777 CB ASN A 126 10.033 -12.704 -32.931 1.00 0.00 C ATOM 778 CG ASN A 126 9.552 -13.185 -34.294 1.00 0.00 C ATOM 779 OD1 ASN A 126 9.976 -12.661 -35.323 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.688 -14.161 -34.363 1.00 0.00 N ATOM 0 H ASN A 126 11.327 -12.075 -30.900 1.00 0.00 H new ATOM 0 HA ASN A 126 11.513 -14.250 -32.785 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.381 -13.093 -32.148 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.979 -11.617 -32.880 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.363 -14.491 -35.272 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.338 -14.594 -33.508 1.00 0.00 H new ATOM 787 N TYR A 127 12.680 -11.254 -33.563 1.00 0.00 N ATOM 788 CA TYR A 127 13.561 -10.553 -34.488 1.00 0.00 C ATOM 789 C TYR A 127 14.916 -11.242 -34.562 1.00 0.00 C ATOM 790 O TYR A 127 15.426 -11.509 -35.653 1.00 0.00 O ATOM 791 CB TYR A 127 13.746 -9.105 -34.031 1.00 0.00 C ATOM 792 CG TYR A 127 15.003 -8.540 -34.649 1.00 0.00 C ATOM 793 CD1 TYR A 127 15.099 -8.383 -36.035 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.078 -8.174 -33.826 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.270 -7.864 -36.599 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.247 -7.653 -34.389 1.00 0.00 C ATOM 797 CZ TYR A 127 17.344 -7.498 -35.777 1.00 0.00 C ATOM 798 OH TYR A 127 18.498 -6.986 -36.337 1.00 0.00 O ATOM 0 H TYR A 127 12.319 -10.681 -32.800 1.00 0.00 H new ATOM 0 HA TYR A 127 13.106 -10.567 -35.478 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.883 -8.507 -34.324 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.811 -9.061 -32.944 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.271 -8.662 -36.669 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.003 -8.295 -32.755 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.346 -7.745 -37.670 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.074 -7.371 -33.754 1.00 0.00 H new ATOM 0 HH TYR A 127 18.691 -7.455 -37.176 1.00 0.00 H new ATOM 808 N LEU A 128 15.493 -11.531 -33.402 1.00 0.00 N ATOM 809 CA LEU A 128 16.795 -12.189 -33.355 1.00 0.00 C ATOM 810 C LEU A 128 16.719 -13.566 -34.010 1.00 0.00 C ATOM 811 O LEU A 128 17.591 -13.943 -34.787 1.00 0.00 O ATOM 812 CB LEU A 128 17.243 -12.342 -31.899 1.00 0.00 C ATOM 813 CG LEU A 128 17.423 -10.957 -31.273 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.778 -11.108 -29.793 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.543 -10.208 -31.993 1.00 0.00 C ATOM 0 H LEU A 128 15.086 -11.323 -32.490 1.00 0.00 H new ATOM 0 HA LEU A 128 17.515 -11.578 -33.898 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.504 -12.913 -31.338 1.00 0.00 H new ATOM 0 HB3 LEU A 128 18.179 -12.899 -31.852 1.00 0.00 H new ATOM 0 HG LEU A 128 16.494 -10.395 -31.369 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.906 -10.122 -29.347 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.976 -11.637 -29.279 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.705 -11.673 -29.697 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.668 -9.222 -31.545 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.473 -10.769 -31.902 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.288 -10.097 -33.047 1.00 0.00 H new ATOM 827 N HIS A 129 15.659 -14.306 -33.699 1.00 0.00 N ATOM 828 CA HIS A 129 15.467 -15.632 -34.273 1.00 0.00 C ATOM 829 C HIS A 129 15.352 -15.537 -35.792 1.00 0.00 C ATOM 830 O HIS A 129 15.771 -16.442 -36.514 1.00 0.00 O ATOM 831 CB HIS A 129 14.205 -16.277 -33.699 1.00 0.00 C ATOM 832 CG HIS A 129 14.152 -17.723 -34.108 1.00 0.00 C ATOM 833 ND1 HIS A 129 13.708 -18.122 -35.360 1.00 0.00 N ATOM 834 CD2 HIS A 129 14.481 -18.878 -33.442 1.00 0.00 C ATOM 835 CE1 HIS A 129 13.782 -19.464 -35.408 1.00 0.00 C ATOM 836 NE2 HIS A 129 14.246 -19.976 -34.264 1.00 0.00 N ATOM 0 H HIS A 129 14.924 -14.011 -33.056 1.00 0.00 H new ATOM 0 HA HIS A 129 16.329 -16.249 -34.020 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.204 -16.195 -32.612 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.320 -15.753 -34.059 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.864 -18.927 -32.433 1.00 0.00 H new ATOM 0 HE1 HIS A 129 13.501 -20.056 -36.266 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.396 -20.960 -34.041 1.00 0.00 H new ATOM 845 N LYS A 130 14.766 -14.442 -36.269 1.00 0.00 N ATOM 846 CA LYS A 130 14.594 -14.243 -37.701 1.00 0.00 C ATOM 847 C LYS A 130 15.950 -14.057 -38.385 1.00 0.00 C ATOM 848 O LYS A 130 16.195 -14.608 -39.458 1.00 0.00 O ATOM 849 CB LYS A 130 13.718 -13.018 -37.957 1.00 0.00 C ATOM 850 CG LYS A 130 13.356 -12.945 -39.444 1.00 0.00 C ATOM 851 CD LYS A 130 13.092 -11.492 -39.837 1.00 0.00 C ATOM 852 CE LYS A 130 12.762 -11.418 -41.328 1.00 0.00 C ATOM 853 NZ LYS A 130 13.892 -11.990 -42.114 1.00 0.00 N ATOM 0 H LYS A 130 14.405 -13.685 -35.688 1.00 0.00 H new ATOM 0 HA LYS A 130 14.110 -15.127 -38.116 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.812 -13.075 -37.354 1.00 0.00 H new ATOM 0 HB3 LYS A 130 14.245 -12.113 -37.656 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.167 -13.354 -40.047 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.473 -13.552 -39.644 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.266 -11.090 -39.251 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.967 -10.880 -39.617 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.844 -11.968 -41.536 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.587 -10.383 -41.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.039 -11.423 -42.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.758 -11.976 -41.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.669 -12.970 -42.380 1.00 0.00 H new ATOM 867 N ASN A 131 16.817 -13.267 -37.760 1.00 0.00 N ATOM 868 CA ASN A 131 18.138 -13.005 -38.324 1.00 0.00 C ATOM 869 C ASN A 131 19.071 -14.180 -38.056 1.00 0.00 C ATOM 870 O ASN A 131 20.141 -14.285 -38.655 1.00 0.00 O ATOM 871 CB ASN A 131 18.724 -11.733 -37.711 1.00 0.00 C ATOM 872 CG ASN A 131 19.916 -11.258 -38.537 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.893 -10.068 -39.073 1.00 0.00 O flip ATOM 874 ND2 ASN A 131 20.890 -11.992 -38.701 1.00 0.00 N flip ATOM 0 H ASN A 131 16.632 -12.801 -36.872 1.00 0.00 H new ATOM 0 HA ASN A 131 18.037 -12.873 -39.401 1.00 0.00 H new ATOM 0 HB2 ASN A 131 17.963 -10.953 -37.673 1.00 0.00 H new ATOM 0 HB3 ASN A 131 19.035 -11.924 -36.684 1.00 0.00 H new ATOM 0 HD21 ASN A 131 20.905 -12.921 -38.281 1.00 0.00 H new ATOM 0 HD22 ASN A 131 21.683 -11.671 -39.257 1.00 0.00 H new ATOM 881 N GLY A 132 18.656 -15.065 -37.155 1.00 0.00 N ATOM 882 CA GLY A 132 19.462 -16.235 -36.820 1.00 0.00 C ATOM 883 C GLY A 132 20.623 -15.853 -35.910 1.00 0.00 C ATOM 884 O GLY A 132 21.558 -16.632 -35.724 1.00 0.00 O ATOM 0 H GLY A 132 17.774 -14.996 -36.647 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.839 -16.982 -36.328 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.845 -16.691 -37.733 1.00 0.00 H new ATOM 888 N GLU A 133 20.559 -14.650 -35.348 1.00 0.00 N ATOM 889 CA GLU A 133 21.615 -14.176 -34.459 1.00 0.00 C ATOM 890 C GLU A 133 21.474 -14.809 -33.078 1.00 0.00 C ATOM 891 O GLU A 133 22.357 -15.536 -32.627 1.00 0.00 O ATOM 892 CB GLU A 133 21.547 -12.652 -34.335 1.00 0.00 C ATOM 893 CG GLU A 133 22.964 -12.080 -34.314 1.00 0.00 C ATOM 894 CD GLU A 133 23.579 -12.163 -35.709 1.00 0.00 C ATOM 895 OE1 GLU A 133 24.198 -13.172 -36.003 1.00 0.00 O ATOM 896 OE2 GLU A 133 23.426 -11.213 -36.460 1.00 0.00 O ATOM 0 H GLU A 133 19.794 -13.990 -35.490 1.00 0.00 H new ATOM 0 HA GLU A 133 22.578 -14.463 -34.881 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.986 -12.233 -35.171 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.017 -12.374 -33.424 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.942 -11.043 -33.978 1.00 0.00 H new ATOM 0 HG3 GLU A 133 23.578 -12.633 -33.603 1.00 0.00 H new ATOM 903 N THR A 134 20.355 -14.531 -32.416 1.00 0.00 N ATOM 904 CA THR A 134 20.106 -15.085 -31.091 1.00 0.00 C ATOM 905 C THR A 134 21.187 -14.642 -30.111 1.00 0.00 C ATOM 906 O THR A 134 21.234 -15.114 -28.973 1.00 0.00 O ATOM 907 CB THR A 134 20.069 -16.613 -31.164 1.00 0.00 C ATOM 908 OG1 THR A 134 21.397 -17.118 -31.187 1.00 0.00 O ATOM 909 CG2 THR A 134 19.336 -17.049 -32.434 1.00 0.00 C ATOM 0 H THR A 134 19.612 -13.930 -32.773 1.00 0.00 H new ATOM 0 HA THR A 134 19.143 -14.716 -30.738 1.00 0.00 H new ATOM 0 HB THR A 134 19.545 -17.004 -30.292 1.00 0.00 H new ATOM 0 HG1 THR A 134 21.883 -16.726 -31.942 1.00 0.00 H new ATOM 0 HG21 THR A 134 19.311 -18.138 -32.484 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.317 -16.663 -32.417 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.857 -16.658 -33.308 1.00 0.00 H new ATOM 917 N SER A 135 22.054 -13.738 -30.560 1.00 0.00 N ATOM 918 CA SER A 135 23.133 -13.245 -29.709 1.00 0.00 C ATOM 919 C SER A 135 22.560 -12.613 -28.441 1.00 0.00 C ATOM 920 O SER A 135 22.839 -13.067 -27.332 1.00 0.00 O ATOM 921 CB SER A 135 23.959 -12.209 -30.470 1.00 0.00 C ATOM 922 OG SER A 135 24.646 -12.849 -31.536 1.00 0.00 O ATOM 0 H SER A 135 22.032 -13.336 -31.497 1.00 0.00 H new ATOM 0 HA SER A 135 23.771 -14.084 -29.430 1.00 0.00 H new ATOM 0 HB2 SER A 135 23.310 -11.424 -30.859 1.00 0.00 H new ATOM 0 HB3 SER A 135 24.671 -11.730 -29.798 1.00 0.00 H new ATOM 0 HG SER A 135 25.059 -12.172 -32.112 1.00 0.00 H new ATOM 928 N LEU A 136 21.755 -11.570 -28.617 1.00 0.00 N ATOM 929 CA LEU A 136 21.140 -10.891 -27.480 1.00 0.00 C ATOM 930 C LEU A 136 19.970 -11.707 -26.948 1.00 0.00 C ATOM 931 O LEU A 136 19.339 -12.461 -27.691 1.00 0.00 O ATOM 932 CB LEU A 136 20.651 -9.506 -27.898 1.00 0.00 C ATOM 933 CG LEU A 136 21.828 -8.683 -28.422 1.00 0.00 C ATOM 934 CD1 LEU A 136 21.330 -7.315 -28.890 1.00 0.00 C ATOM 935 CD2 LEU A 136 22.858 -8.492 -27.303 1.00 0.00 C ATOM 0 H LEU A 136 21.514 -11.178 -29.528 1.00 0.00 H new ATOM 0 HA LEU A 136 21.887 -10.786 -26.693 1.00 0.00 H new ATOM 0 HB2 LEU A 136 19.886 -9.597 -28.669 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.190 -9.001 -27.049 1.00 0.00 H new ATOM 0 HG LEU A 136 22.290 -9.208 -29.258 1.00 0.00 H new ATOM 0 HD11 LEU A 136 22.171 -6.730 -29.263 1.00 0.00 H new ATOM 0 HD12 LEU A 136 20.598 -7.447 -29.687 1.00 0.00 H new ATOM 0 HD13 LEU A 136 20.866 -6.791 -28.054 1.00 0.00 H new ATOM 0 HD21 LEU A 136 23.697 -7.905 -27.677 1.00 0.00 H new ATOM 0 HD22 LEU A 136 22.394 -7.969 -26.467 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.217 -9.465 -26.969 1.00 0.00 H new ATOM 947 N LYS A 137 19.688 -11.557 -25.659 1.00 0.00 N ATOM 948 CA LYS A 137 18.599 -12.283 -25.043 1.00 0.00 C ATOM 949 C LYS A 137 17.456 -11.339 -24.670 1.00 0.00 C ATOM 950 O LYS A 137 17.680 -10.166 -24.375 1.00 0.00 O ATOM 951 CB LYS A 137 19.087 -13.006 -23.782 1.00 0.00 C ATOM 952 CG LYS A 137 20.129 -14.055 -24.170 1.00 0.00 C ATOM 953 CD LYS A 137 20.629 -14.770 -22.913 1.00 0.00 C ATOM 954 CE LYS A 137 21.712 -15.782 -23.299 1.00 0.00 C ATOM 955 NZ LYS A 137 21.131 -16.812 -24.206 1.00 0.00 N ATOM 0 H LYS A 137 20.200 -10.940 -25.028 1.00 0.00 H new ATOM 0 HA LYS A 137 18.234 -13.013 -25.765 1.00 0.00 H new ATOM 0 HB2 LYS A 137 19.519 -12.290 -23.083 1.00 0.00 H new ATOM 0 HB3 LYS A 137 18.248 -13.481 -23.274 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.694 -14.776 -24.862 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.963 -13.580 -24.687 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.029 -14.045 -22.204 1.00 0.00 H new ATOM 0 HD3 LYS A 137 19.802 -15.278 -22.417 1.00 0.00 H new ATOM 0 HE2 LYS A 137 22.540 -15.273 -23.792 1.00 0.00 H new ATOM 0 HE3 LYS A 137 22.116 -16.256 -22.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 21.742 -17.654 -24.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.183 -17.075 -23.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 21.062 -16.427 -25.170 1.00 0.00 H new ATOM 969 N PRO A 138 16.253 -11.834 -24.640 1.00 0.00 N ATOM 970 CA PRO A 138 15.055 -11.041 -24.238 1.00 0.00 C ATOM 971 C PRO A 138 15.216 -10.443 -22.839 1.00 0.00 C ATOM 972 O PRO A 138 14.459 -9.568 -22.439 1.00 0.00 O ATOM 973 CB PRO A 138 13.911 -12.061 -24.262 1.00 0.00 C ATOM 974 CG PRO A 138 14.377 -13.161 -25.148 1.00 0.00 C ATOM 975 CD PRO A 138 15.885 -13.210 -25.013 1.00 0.00 C ATOM 0 HA PRO A 138 14.885 -10.192 -24.900 1.00 0.00 H new ATOM 0 HB2 PRO A 138 13.693 -12.430 -23.260 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.993 -11.613 -24.643 1.00 0.00 H new ATOM 0 HG2 PRO A 138 13.930 -14.111 -24.855 1.00 0.00 H new ATOM 0 HG3 PRO A 138 14.086 -12.977 -26.182 1.00 0.00 H new ATOM 0 HD2 PRO A 138 16.195 -13.926 -24.252 1.00 0.00 H new ATOM 0 HD3 PRO A 138 16.360 -13.511 -25.947 1.00 0.00 H new ATOM 983 N GLU A 139 16.194 -10.949 -22.093 1.00 0.00 N ATOM 984 CA GLU A 139 16.444 -10.474 -20.737 1.00 0.00 C ATOM 985 C GLU A 139 17.609 -9.489 -20.714 1.00 0.00 C ATOM 986 O GLU A 139 18.050 -9.061 -19.646 1.00 0.00 O ATOM 987 CB GLU A 139 16.755 -11.657 -19.815 1.00 0.00 C ATOM 988 CG GLU A 139 15.493 -12.503 -19.630 1.00 0.00 C ATOM 989 CD GLU A 139 15.808 -13.728 -18.778 1.00 0.00 C ATOM 990 OE1 GLU A 139 16.979 -13.971 -18.535 1.00 0.00 O ATOM 991 OE2 GLU A 139 14.874 -14.401 -18.375 1.00 0.00 O ATOM 0 H GLU A 139 16.825 -11.687 -22.405 1.00 0.00 H new ATOM 0 HA GLU A 139 15.548 -9.964 -20.384 1.00 0.00 H new ATOM 0 HB2 GLU A 139 17.554 -12.264 -20.241 1.00 0.00 H new ATOM 0 HB3 GLU A 139 17.109 -11.296 -18.849 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.713 -11.909 -19.153 1.00 0.00 H new ATOM 0 HG3 GLU A 139 15.108 -12.814 -20.601 1.00 0.00 H new ATOM 998 N ASP A 140 18.105 -9.140 -21.896 1.00 0.00 N ATOM 999 CA ASP A 140 19.225 -8.214 -21.999 1.00 0.00 C ATOM 1000 C ASP A 140 18.741 -6.768 -21.993 1.00 0.00 C ATOM 1001 O ASP A 140 19.439 -5.872 -21.519 1.00 0.00 O ATOM 1002 CB ASP A 140 20.011 -8.486 -23.281 1.00 0.00 C ATOM 1003 CG ASP A 140 20.772 -9.804 -23.155 1.00 0.00 C ATOM 1004 OD1 ASP A 140 20.817 -10.337 -22.059 1.00 0.00 O ATOM 1005 OD2 ASP A 140 21.320 -10.246 -24.151 1.00 0.00 O ATOM 0 H ASP A 140 17.752 -9.482 -22.790 1.00 0.00 H new ATOM 0 HA ASP A 140 19.872 -8.366 -21.135 1.00 0.00 H new ATOM 0 HB2 ASP A 140 19.332 -8.528 -24.132 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.709 -7.670 -23.470 1.00 0.00 H new ATOM 1010 N PHE A 141 17.547 -6.548 -22.528 1.00 0.00 N ATOM 1011 CA PHE A 141 16.983 -5.203 -22.587 1.00 0.00 C ATOM 1012 C PHE A 141 16.701 -4.680 -21.179 1.00 0.00 C ATOM 1013 O PHE A 141 15.920 -5.263 -20.427 1.00 0.00 O ATOM 1014 CB PHE A 141 15.682 -5.221 -23.397 1.00 0.00 C ATOM 1015 CG PHE A 141 14.543 -5.695 -22.526 1.00 0.00 C ATOM 1016 CD1 PHE A 141 14.608 -6.948 -21.907 1.00 0.00 C ATOM 1017 CD2 PHE A 141 13.427 -4.873 -22.322 1.00 0.00 C ATOM 1018 CE1 PHE A 141 13.559 -7.383 -21.090 1.00 0.00 C ATOM 1019 CE2 PHE A 141 12.378 -5.308 -21.507 1.00 0.00 C ATOM 1020 CZ PHE A 141 12.443 -6.564 -20.891 1.00 0.00 C ATOM 0 H PHE A 141 16.953 -7.276 -22.925 1.00 0.00 H new ATOM 0 HA PHE A 141 17.704 -4.544 -23.070 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.468 -4.223 -23.780 1.00 0.00 H new ATOM 0 HB3 PHE A 141 15.789 -5.878 -24.260 1.00 0.00 H new ATOM 0 HD1 PHE A 141 15.470 -7.581 -22.060 1.00 0.00 H new ATOM 0 HD2 PHE A 141 13.377 -3.903 -22.794 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.611 -8.351 -20.613 1.00 0.00 H new ATOM 0 HE2 PHE A 141 11.517 -4.675 -21.352 1.00 0.00 H new ATOM 0 HZ PHE A 141 11.632 -6.900 -20.262 1.00 0.00 H new ATOM 1030 N ASP A 142 17.353 -3.581 -20.826 1.00 0.00 N ATOM 1031 CA ASP A 142 17.171 -2.982 -19.508 1.00 0.00 C ATOM 1032 C ASP A 142 16.693 -1.540 -19.631 1.00 0.00 C ATOM 1033 O ASP A 142 17.250 -0.758 -20.401 1.00 0.00 O ATOM 1034 CB ASP A 142 18.481 -3.028 -18.724 1.00 0.00 C ATOM 1035 CG ASP A 142 18.285 -2.402 -17.347 1.00 0.00 C ATOM 1036 OD1 ASP A 142 17.549 -2.971 -16.559 1.00 0.00 O ATOM 1037 OD2 ASP A 142 18.879 -1.366 -17.101 1.00 0.00 O ATOM 0 H ASP A 142 18.010 -3.087 -21.430 1.00 0.00 H new ATOM 0 HA ASP A 142 16.413 -3.555 -18.974 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.816 -4.060 -18.619 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.260 -2.494 -19.268 1.00 0.00 H new ATOM 1042 N PHE A 143 15.661 -1.192 -18.869 1.00 0.00 N ATOM 1043 CA PHE A 143 15.123 0.165 -18.906 1.00 0.00 C ATOM 1044 C PHE A 143 15.997 1.106 -18.079 1.00 0.00 C ATOM 1045 O PHE A 143 16.008 1.039 -16.849 1.00 0.00 O ATOM 1046 CB PHE A 143 13.698 0.175 -18.353 1.00 0.00 C ATOM 1047 CG PHE A 143 12.787 -0.573 -19.296 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.523 -0.056 -20.569 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.208 -1.785 -18.897 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.681 -0.751 -21.446 1.00 0.00 C ATOM 1051 CE2 PHE A 143 11.365 -2.479 -19.775 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.101 -1.961 -21.048 1.00 0.00 C ATOM 0 H PHE A 143 15.184 -1.823 -18.225 1.00 0.00 H new ATOM 0 HA PHE A 143 15.114 0.507 -19.941 1.00 0.00 H new ATOM 0 HB2 PHE A 143 13.676 -0.287 -17.366 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.351 1.201 -18.232 1.00 0.00 H new ATOM 0 HD1 PHE A 143 12.969 0.879 -20.875 1.00 0.00 H new ATOM 0 HD2 PHE A 143 12.411 -2.184 -17.914 1.00 0.00 H new ATOM 0 HE1 PHE A 143 11.479 -0.353 -22.430 1.00 0.00 H new ATOM 0 HE2 PHE A 143 10.919 -3.414 -19.469 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.449 -2.495 -21.724 1.00 0.00 H new