USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 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 114 GLN : amide:sc= -1.14 K(o=-3.6,f=-14!) USER MOD Set 1.2: A 127 TYR OH : rot 30:sc= 0.0731 USER MOD Set 1.3: A 131 ASN : amide:sc= -2.57! C(o=-3.6!,f=-3.6!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.0402 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0354 K(o=-0.035,f=-0.69) 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 180:sc= -2.64! USER MOD Single : A 112 SER OG : rot 64:sc= 0.312 USER MOD Single : A 117 LYS NZ :NH3+ 161:sc= -0.0515 (180deg=-0.407) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -119:sc= -0.536 (180deg=-1.94) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc=-0.00714 USER MOD Single : A 126 ASN : amide:sc= -0.86 K(o=-0.86,f=-3.2!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 25.004 1.137 -25.061 1.00 0.00 N ATOM 135 CA PRO A 87 26.088 0.396 -25.769 1.00 0.00 C ATOM 136 C PRO A 87 26.141 0.735 -27.256 1.00 0.00 C ATOM 137 O PRO A 87 25.122 1.064 -27.863 1.00 0.00 O ATOM 138 CB PRO A 87 25.722 -1.075 -25.555 1.00 0.00 C ATOM 139 CG PRO A 87 24.255 -1.085 -25.281 1.00 0.00 C ATOM 140 CD PRO A 87 23.938 0.238 -24.591 1.00 0.00 C ATOM 0 HA PRO A 87 27.076 0.653 -25.387 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.961 -1.671 -26.436 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.280 -1.501 -24.721 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.688 -1.186 -26.206 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.984 -1.929 -24.647 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.951 0.608 -24.867 1.00 0.00 H new ATOM 0 HD3 PRO A 87 23.948 0.137 -23.506 1.00 0.00 H new ATOM 148 N CYS A 88 27.334 0.652 -27.834 1.00 0.00 N ATOM 149 CA CYS A 88 27.509 0.958 -29.249 1.00 0.00 C ATOM 150 C CYS A 88 26.660 0.026 -30.108 1.00 0.00 C ATOM 151 O CYS A 88 26.605 -1.178 -29.866 1.00 0.00 O ATOM 152 CB CYS A 88 28.982 0.811 -29.638 1.00 0.00 C ATOM 153 SG CYS A 88 29.187 1.221 -31.389 1.00 0.00 S ATOM 0 H CYS A 88 28.188 0.378 -27.349 1.00 0.00 H new ATOM 0 HA CYS A 88 27.189 1.986 -29.421 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.599 1.468 -29.025 1.00 0.00 H new ATOM 0 HB3 CYS A 88 29.319 -0.209 -29.450 1.00 0.00 H new ATOM 0 HG CYS A 88 30.438 1.099 -31.720 1.00 0.00 H new ATOM 159 N GLY A 89 25.998 0.594 -31.110 1.00 0.00 N ATOM 160 CA GLY A 89 25.156 -0.193 -32.002 1.00 0.00 C ATOM 161 C GLY A 89 23.683 -0.048 -31.634 1.00 0.00 C ATOM 162 O GLY A 89 22.801 -0.320 -32.448 1.00 0.00 O ATOM 0 H GLY A 89 26.028 1.591 -31.324 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.310 0.129 -33.032 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.446 -1.242 -31.949 1.00 0.00 H new ATOM 166 N TRP A 90 23.427 0.383 -30.407 1.00 0.00 N ATOM 167 CA TRP A 90 22.059 0.570 -29.939 1.00 0.00 C ATOM 168 C TRP A 90 21.784 2.040 -29.640 1.00 0.00 C ATOM 169 O TRP A 90 22.688 2.780 -29.247 1.00 0.00 O ATOM 170 CB TRP A 90 21.815 -0.265 -28.682 1.00 0.00 C ATOM 171 CG TRP A 90 21.833 -1.717 -29.036 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.906 -2.531 -28.922 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.749 -2.540 -29.558 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.551 -3.801 -29.340 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.232 -3.856 -29.741 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.407 -2.273 -29.887 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.412 -4.873 -30.233 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.580 -3.294 -30.382 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.082 -4.591 -30.556 1.00 0.00 C ATOM 0 H TRP A 90 24.145 0.609 -29.719 1.00 0.00 H new ATOM 0 HA TRP A 90 21.382 0.243 -30.728 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.581 -0.052 -27.937 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.856 -0.000 -28.237 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.881 -2.238 -28.563 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.186 -4.599 -29.350 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.011 -1.277 -29.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 20.803 -5.871 -30.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.551 -3.079 -30.630 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.442 -5.372 -30.939 1.00 0.00 H new ATOM 190 N GLU A 91 20.538 2.455 -29.824 1.00 0.00 N ATOM 191 CA GLU A 91 20.156 3.841 -29.563 1.00 0.00 C ATOM 192 C GLU A 91 18.898 3.894 -28.700 1.00 0.00 C ATOM 193 O GLU A 91 18.053 3.001 -28.762 1.00 0.00 O ATOM 194 CB GLU A 91 19.907 4.574 -30.879 1.00 0.00 C ATOM 195 CG GLU A 91 19.650 6.056 -30.599 1.00 0.00 C ATOM 196 CD GLU A 91 19.440 6.805 -31.909 1.00 0.00 C ATOM 197 OE1 GLU A 91 19.415 6.158 -32.941 1.00 0.00 O ATOM 198 OE2 GLU A 91 19.309 8.017 -31.861 1.00 0.00 O ATOM 0 H GLU A 91 19.778 1.859 -30.151 1.00 0.00 H new ATOM 0 HA GLU A 91 20.972 4.328 -29.029 1.00 0.00 H new ATOM 0 HB2 GLU A 91 20.768 4.462 -31.538 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.052 4.137 -31.394 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.772 6.167 -29.962 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.493 6.484 -30.057 1.00 0.00 H new ATOM 205 N ARG A 92 18.781 4.946 -27.896 1.00 0.00 N ATOM 206 CA ARG A 92 17.625 5.104 -27.022 1.00 0.00 C ATOM 207 C ARG A 92 16.810 6.327 -27.423 1.00 0.00 C ATOM 208 O ARG A 92 17.358 7.405 -27.645 1.00 0.00 O ATOM 209 CB ARG A 92 18.086 5.250 -25.569 1.00 0.00 C ATOM 210 CG ARG A 92 19.350 6.113 -25.519 1.00 0.00 C ATOM 211 CD ARG A 92 19.616 6.547 -24.077 1.00 0.00 C ATOM 212 NE ARG A 92 18.644 7.555 -23.667 1.00 0.00 N ATOM 213 CZ ARG A 92 18.790 8.830 -24.013 1.00 0.00 C ATOM 214 NH1 ARG A 92 19.816 9.198 -24.732 1.00 0.00 N ATOM 215 NH2 ARG A 92 17.908 9.714 -23.634 1.00 0.00 N ATOM 0 H ARG A 92 19.468 5.697 -27.832 1.00 0.00 H new ATOM 0 HA ARG A 92 16.998 4.218 -27.119 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.298 5.706 -24.970 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.286 4.268 -25.139 1.00 0.00 H new ATOM 0 HG2 ARG A 92 20.202 5.552 -25.904 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.231 6.989 -26.157 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.558 5.684 -23.413 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.626 6.948 -23.991 1.00 0.00 H new ATOM 0 HE ARG A 92 17.839 7.277 -23.106 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.505 8.507 -25.028 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.928 10.176 -24.998 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.107 9.426 -23.072 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.020 10.692 -23.899 1.00 0.00 H new ATOM 229 N VAL A 93 15.496 6.153 -27.513 1.00 0.00 N ATOM 230 CA VAL A 93 14.607 7.248 -27.886 1.00 0.00 C ATOM 231 C VAL A 93 13.405 7.309 -26.952 1.00 0.00 C ATOM 232 O VAL A 93 12.749 6.297 -26.714 1.00 0.00 O ATOM 233 CB VAL A 93 14.132 7.068 -29.326 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.943 7.994 -29.590 1.00 0.00 C ATOM 235 CG2 VAL A 93 15.272 7.426 -30.287 1.00 0.00 C ATOM 0 H VAL A 93 15.024 5.267 -27.333 1.00 0.00 H new ATOM 0 HA VAL A 93 15.161 8.183 -27.802 1.00 0.00 H new ATOM 0 HB VAL A 93 13.832 6.032 -29.482 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.603 7.866 -30.618 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.131 7.747 -28.906 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.247 9.029 -29.434 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.935 7.298 -31.316 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.569 8.463 -30.129 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.124 6.772 -30.101 1.00 0.00 H new ATOM 245 N VAL A 94 13.125 8.498 -26.429 1.00 0.00 N ATOM 246 CA VAL A 94 11.999 8.670 -25.520 1.00 0.00 C ATOM 247 C VAL A 94 11.023 9.710 -26.064 1.00 0.00 C ATOM 248 O VAL A 94 11.431 10.771 -26.536 1.00 0.00 O ATOM 249 CB VAL A 94 12.508 9.119 -24.147 1.00 0.00 C ATOM 250 CG1 VAL A 94 13.543 8.118 -23.633 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.151 10.501 -24.266 1.00 0.00 C ATOM 0 H VAL A 94 13.656 9.348 -26.617 1.00 0.00 H new ATOM 0 HA VAL A 94 11.480 7.716 -25.427 1.00 0.00 H new ATOM 0 HB VAL A 94 11.672 9.167 -23.450 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.905 8.438 -22.656 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.084 7.133 -23.545 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.379 8.068 -24.331 1.00 0.00 H new ATOM 0 HG21 VAL A 94 13.513 10.819 -23.288 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.986 10.455 -24.965 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.413 11.216 -24.630 1.00 0.00 H new ATOM 261 N LYS A 95 9.734 9.397 -25.992 1.00 0.00 N ATOM 262 CA LYS A 95 8.705 10.312 -26.471 1.00 0.00 C ATOM 263 C LYS A 95 7.539 10.368 -25.490 1.00 0.00 C ATOM 264 O LYS A 95 6.931 9.345 -25.179 1.00 0.00 O ATOM 265 CB LYS A 95 8.204 9.869 -27.844 1.00 0.00 C ATOM 266 CG LYS A 95 9.281 10.142 -28.895 1.00 0.00 C ATOM 267 CD LYS A 95 8.777 9.699 -30.271 1.00 0.00 C ATOM 268 CE LYS A 95 9.828 10.030 -31.331 1.00 0.00 C ATOM 269 NZ LYS A 95 9.360 9.545 -32.661 1.00 0.00 N ATOM 0 H LYS A 95 9.378 8.521 -25.609 1.00 0.00 H new ATOM 0 HA LYS A 95 9.142 11.307 -26.553 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.958 8.807 -27.828 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.289 10.404 -28.099 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.528 11.204 -28.911 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.196 9.606 -28.641 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.573 8.628 -30.268 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.838 10.201 -30.505 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.001 11.106 -31.364 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.779 9.562 -31.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.074 9.769 -33.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.216 8.516 -32.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.463 10.011 -32.904 1.00 0.00 H new ATOM 283 N GLN A 96 7.229 11.570 -25.010 1.00 0.00 N ATOM 284 CA GLN A 96 6.136 11.742 -24.063 1.00 0.00 C ATOM 285 C GLN A 96 4.789 11.614 -24.771 1.00 0.00 C ATOM 286 O GLN A 96 4.584 12.190 -25.839 1.00 0.00 O ATOM 287 CB GLN A 96 6.235 13.115 -23.395 1.00 0.00 C ATOM 288 CG GLN A 96 5.170 13.231 -22.303 1.00 0.00 C ATOM 289 CD GLN A 96 5.307 14.566 -21.581 1.00 0.00 C ATOM 290 OE1 GLN A 96 5.693 15.564 -22.188 1.00 0.00 O ATOM 291 NE2 GLN A 96 5.012 14.645 -20.312 1.00 0.00 N ATOM 0 H GLN A 96 7.716 12.431 -25.260 1.00 0.00 H new ATOM 0 HA GLN A 96 6.211 10.963 -23.304 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.227 13.251 -22.965 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.098 13.902 -24.136 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.176 13.146 -22.742 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.275 12.411 -21.592 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.692 13.817 -19.810 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.101 15.535 -19.822 1.00 0.00 H new ATOM 300 N ARG A 97 3.877 10.856 -24.170 1.00 0.00 N ATOM 301 CA ARG A 97 2.556 10.663 -24.749 1.00 0.00 C ATOM 302 C ARG A 97 1.650 11.844 -24.417 1.00 0.00 C ATOM 303 O ARG A 97 1.617 12.312 -23.278 1.00 0.00 O ATOM 304 CB ARG A 97 1.930 9.376 -24.213 1.00 0.00 C ATOM 305 CG ARG A 97 1.659 8.418 -25.375 1.00 0.00 C ATOM 306 CD ARG A 97 0.911 7.188 -24.859 1.00 0.00 C ATOM 307 NE ARG A 97 1.805 6.344 -24.076 1.00 0.00 N ATOM 308 CZ ARG A 97 1.339 5.326 -23.360 1.00 0.00 C ATOM 309 NH1 ARG A 97 0.059 5.071 -23.346 1.00 0.00 N ATOM 310 NH2 ARG A 97 2.160 4.584 -22.669 1.00 0.00 N ATOM 0 H ARG A 97 4.029 10.369 -23.287 1.00 0.00 H new ATOM 0 HA ARG A 97 2.663 10.590 -25.831 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.598 8.908 -23.490 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.001 9.601 -23.689 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.070 8.919 -26.143 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.598 8.117 -25.839 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.064 7.499 -24.247 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.507 6.621 -25.698 1.00 0.00 H new ATOM 0 HE ARG A 97 2.806 6.538 -24.078 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.583 5.653 -23.884 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.299 4.290 -22.797 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.160 4.785 -22.678 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.802 3.803 -22.120 1.00 0.00 H new ATOM 324 N LEU A 98 0.918 12.323 -25.417 1.00 0.00 N ATOM 325 CA LEU A 98 0.009 13.445 -25.226 1.00 0.00 C ATOM 326 C LEU A 98 -1.429 13.030 -25.498 1.00 0.00 C ATOM 327 O LEU A 98 -1.858 12.970 -26.650 1.00 0.00 O ATOM 328 CB LEU A 98 0.397 14.604 -26.147 1.00 0.00 C ATOM 329 CG LEU A 98 1.522 15.419 -25.509 1.00 0.00 C ATOM 330 CD1 LEU A 98 1.016 16.046 -24.204 1.00 0.00 C ATOM 331 CD2 LEU A 98 2.712 14.508 -25.209 1.00 0.00 C ATOM 0 H LEU A 98 0.937 11.952 -26.367 1.00 0.00 H new ATOM 0 HA LEU A 98 0.086 13.770 -24.188 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.718 14.219 -27.115 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.468 15.242 -26.329 1.00 0.00 H new ATOM 0 HG LEU A 98 1.835 16.205 -26.196 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.816 16.628 -23.746 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.169 16.698 -24.418 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.703 15.258 -23.519 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.512 15.092 -24.754 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.403 13.720 -24.522 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.071 14.061 -26.136 1.00 0.00 H new ATOM 343 N PHE A 99 -2.172 12.751 -24.434 1.00 0.00 N ATOM 344 CA PHE A 99 -3.568 12.352 -24.572 1.00 0.00 C ATOM 345 C PHE A 99 -4.408 12.927 -23.434 1.00 0.00 C ATOM 346 O PHE A 99 -4.751 14.108 -23.438 1.00 0.00 O ATOM 347 CB PHE A 99 -3.681 10.826 -24.572 1.00 0.00 C ATOM 348 CG PHE A 99 -3.294 10.293 -25.929 1.00 0.00 C ATOM 349 CD1 PHE A 99 -4.151 10.472 -27.022 1.00 0.00 C ATOM 350 CD2 PHE A 99 -2.079 9.618 -26.096 1.00 0.00 C ATOM 351 CE1 PHE A 99 -3.793 9.976 -28.280 1.00 0.00 C ATOM 352 CE2 PHE A 99 -1.721 9.123 -27.356 1.00 0.00 C ATOM 353 CZ PHE A 99 -2.578 9.301 -28.448 1.00 0.00 C ATOM 0 H PHE A 99 -1.835 12.793 -23.472 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.943 12.743 -25.518 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.033 10.403 -23.805 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.700 10.526 -24.329 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.088 10.993 -26.894 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.418 9.479 -25.253 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.455 10.114 -29.122 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.783 8.604 -27.485 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.302 8.918 -29.419 1.00 0.00 H new ATOM 363 N GLY A 100 -4.732 12.082 -22.460 1.00 0.00 N ATOM 364 CA GLY A 100 -5.534 12.515 -21.323 1.00 0.00 C ATOM 365 C GLY A 100 -5.539 11.460 -20.223 1.00 0.00 C ATOM 366 O GLY A 100 -5.007 11.682 -19.136 1.00 0.00 O ATOM 0 H GLY A 100 -4.454 11.101 -22.435 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.139 13.452 -20.931 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.556 12.711 -21.648 1.00 0.00 H new ATOM 370 N LYS A 101 -6.138 10.308 -20.516 1.00 0.00 N ATOM 371 CA LYS A 101 -6.203 9.230 -19.539 1.00 0.00 C ATOM 372 C LYS A 101 -4.804 8.818 -19.094 1.00 0.00 C ATOM 373 O LYS A 101 -4.528 8.725 -17.898 1.00 0.00 O ATOM 374 CB LYS A 101 -6.923 8.022 -20.148 1.00 0.00 C ATOM 375 CG LYS A 101 -6.729 6.801 -19.245 1.00 0.00 C ATOM 376 CD LYS A 101 -7.321 7.082 -17.865 1.00 0.00 C ATOM 377 CE LYS A 101 -7.284 5.807 -17.024 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.879 6.077 -15.684 1.00 0.00 N ATOM 0 H LYS A 101 -6.580 10.100 -21.412 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.755 9.587 -18.669 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.985 8.238 -20.262 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.531 7.816 -21.144 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.211 5.929 -19.687 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.668 6.568 -19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.757 7.873 -17.370 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.347 7.436 -17.963 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.836 5.012 -17.525 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.256 5.461 -16.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.854 5.209 -15.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.334 6.823 -15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.865 6.388 -15.798 1.00 0.00 H new ATOM 392 N THR A 102 -3.926 8.569 -20.066 1.00 0.00 N ATOM 393 CA THR A 102 -2.562 8.164 -19.763 1.00 0.00 C ATOM 394 C THR A 102 -1.602 9.329 -19.972 1.00 0.00 C ATOM 395 O THR A 102 -0.440 9.261 -19.569 1.00 0.00 O ATOM 396 CB THR A 102 -2.156 6.989 -20.648 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.249 7.377 -22.012 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.085 5.803 -20.388 1.00 0.00 C ATOM 0 H THR A 102 -4.137 8.641 -21.061 1.00 0.00 H new ATOM 0 HA THR A 102 -2.515 7.856 -18.718 1.00 0.00 H new ATOM 0 HB THR A 102 -1.131 6.697 -20.419 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.987 6.626 -22.584 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.792 4.966 -21.022 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.014 5.508 -19.341 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.112 6.089 -20.616 1.00 0.00 H new ATOM 406 N ALA A 103 -2.094 10.390 -20.604 1.00 0.00 N ATOM 407 CA ALA A 103 -1.271 11.568 -20.855 1.00 0.00 C ATOM 408 C ALA A 103 -0.193 11.703 -19.782 1.00 0.00 C ATOM 409 O ALA A 103 -0.429 11.409 -18.608 1.00 0.00 O ATOM 410 CB ALA A 103 -2.151 12.821 -20.848 1.00 0.00 C ATOM 0 H ALA A 103 -3.051 10.459 -20.949 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.792 11.458 -21.828 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.534 13.700 -21.036 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.910 12.737 -21.626 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.637 12.919 -19.877 1.00 0.00 H new ATOM 416 N GLY A 104 0.993 12.135 -20.194 1.00 0.00 N ATOM 417 CA GLY A 104 2.106 12.289 -19.267 1.00 0.00 C ATOM 418 C GLY A 104 2.974 11.033 -19.245 1.00 0.00 C ATOM 419 O GLY A 104 4.100 11.055 -18.746 1.00 0.00 O ATOM 0 H GLY A 104 1.208 12.384 -21.160 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.710 13.148 -19.557 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.725 12.491 -18.266 1.00 0.00 H new ATOM 423 N ARG A 105 2.448 9.945 -19.796 1.00 0.00 N ATOM 424 CA ARG A 105 3.188 8.688 -19.845 1.00 0.00 C ATOM 425 C ARG A 105 4.356 8.796 -20.820 1.00 0.00 C ATOM 426 O ARG A 105 4.235 9.400 -21.886 1.00 0.00 O ATOM 427 CB ARG A 105 2.262 7.551 -20.276 1.00 0.00 C ATOM 428 CG ARG A 105 2.135 6.536 -19.137 1.00 0.00 C ATOM 429 CD ARG A 105 1.500 7.212 -17.920 1.00 0.00 C ATOM 430 NE ARG A 105 2.474 7.320 -16.840 1.00 0.00 N ATOM 431 CZ ARG A 105 2.934 6.240 -16.218 1.00 0.00 C ATOM 432 NH1 ARG A 105 2.515 5.056 -16.572 1.00 0.00 N ATOM 433 NH2 ARG A 105 3.806 6.362 -15.253 1.00 0.00 N ATOM 0 H ARG A 105 1.518 9.907 -20.213 1.00 0.00 H new ATOM 0 HA ARG A 105 3.577 8.477 -18.849 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.280 7.946 -20.536 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.657 7.065 -21.168 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.526 5.690 -19.456 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.117 6.141 -18.876 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.137 8.203 -18.193 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.636 6.638 -17.585 1.00 0.00 H new ATOM 0 HE ARG A 105 2.808 8.241 -16.557 1.00 0.00 H new ATOM 0 HH11 ARG A 105 1.835 4.960 -17.326 1.00 0.00 H new ATOM 0 HH12 ARG A 105 2.868 4.226 -16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.134 7.287 -14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.158 5.532 -14.776 1.00 0.00 H new ATOM 447 N PHE A 106 5.483 8.205 -20.450 1.00 0.00 N ATOM 448 CA PHE A 106 6.671 8.252 -21.297 1.00 0.00 C ATOM 449 C PHE A 106 6.826 6.950 -22.076 1.00 0.00 C ATOM 450 O PHE A 106 6.660 5.862 -21.527 1.00 0.00 O ATOM 451 CB PHE A 106 7.918 8.479 -20.435 1.00 0.00 C ATOM 452 CG PHE A 106 7.829 9.830 -19.765 1.00 0.00 C ATOM 453 CD1 PHE A 106 8.216 10.982 -20.458 1.00 0.00 C ATOM 454 CD2 PHE A 106 7.358 9.928 -18.450 1.00 0.00 C ATOM 455 CE1 PHE A 106 8.132 12.234 -19.838 1.00 0.00 C ATOM 456 CE2 PHE A 106 7.273 11.181 -17.829 1.00 0.00 C ATOM 457 CZ PHE A 106 7.660 12.333 -18.523 1.00 0.00 C ATOM 0 H PHE A 106 5.602 7.691 -19.577 1.00 0.00 H new ATOM 0 HA PHE A 106 6.558 9.075 -22.002 1.00 0.00 H new ATOM 0 HB2 PHE A 106 8.002 7.694 -19.684 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.815 8.426 -21.053 1.00 0.00 H new ATOM 0 HD1 PHE A 106 8.580 10.905 -21.472 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.060 9.038 -17.915 1.00 0.00 H new ATOM 0 HE1 PHE A 106 8.431 13.123 -20.373 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.909 11.258 -16.815 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.595 13.299 -18.044 1.00 0.00 H new ATOM 467 N ASP A 107 7.145 7.072 -23.364 1.00 0.00 N ATOM 468 CA ASP A 107 7.333 5.897 -24.209 1.00 0.00 C ATOM 469 C ASP A 107 8.772 5.835 -24.715 1.00 0.00 C ATOM 470 O ASP A 107 9.254 6.768 -25.358 1.00 0.00 O ATOM 471 CB ASP A 107 6.371 5.944 -25.392 1.00 0.00 C ATOM 472 CG ASP A 107 4.952 6.198 -24.900 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.263 5.230 -24.615 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.573 7.353 -24.811 1.00 0.00 O ATOM 0 H ASP A 107 7.277 7.964 -23.840 1.00 0.00 H new ATOM 0 HA ASP A 107 7.128 5.005 -23.617 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.671 6.731 -26.084 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.411 5.004 -25.942 1.00 0.00 H new ATOM 479 N VAL A 108 9.452 4.728 -24.421 1.00 0.00 N ATOM 480 CA VAL A 108 10.839 4.569 -24.841 1.00 0.00 C ATOM 481 C VAL A 108 11.042 3.222 -25.524 1.00 0.00 C ATOM 482 O VAL A 108 10.324 2.260 -25.249 1.00 0.00 O ATOM 483 CB VAL A 108 11.758 4.659 -23.615 1.00 0.00 C ATOM 484 CG1 VAL A 108 11.348 5.855 -22.754 1.00 0.00 C ATOM 485 CG2 VAL A 108 11.646 3.376 -22.793 1.00 0.00 C ATOM 0 H VAL A 108 9.070 3.939 -23.900 1.00 0.00 H new ATOM 0 HA VAL A 108 11.082 5.362 -25.548 1.00 0.00 H new ATOM 0 HB VAL A 108 12.789 4.787 -23.946 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.001 5.918 -21.884 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.434 6.771 -23.339 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.316 5.730 -22.425 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.300 3.443 -21.923 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.616 3.244 -22.463 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.943 2.525 -23.405 1.00 0.00 H new ATOM 495 N TYR A 109 12.024 3.160 -26.417 1.00 0.00 N ATOM 496 CA TYR A 109 12.322 1.924 -27.131 1.00 0.00 C ATOM 497 C TYR A 109 13.765 1.923 -27.621 1.00 0.00 C ATOM 498 O TYR A 109 14.401 2.974 -27.702 1.00 0.00 O ATOM 499 CB TYR A 109 11.369 1.756 -28.312 1.00 0.00 C ATOM 500 CG TYR A 109 11.396 3.006 -29.158 1.00 0.00 C ATOM 501 CD1 TYR A 109 12.338 3.142 -30.183 1.00 0.00 C ATOM 502 CD2 TYR A 109 10.473 4.033 -28.913 1.00 0.00 C ATOM 503 CE1 TYR A 109 12.360 4.302 -30.965 1.00 0.00 C ATOM 504 CE2 TYR A 109 10.495 5.193 -29.696 1.00 0.00 C ATOM 505 CZ TYR A 109 11.438 5.328 -30.721 1.00 0.00 C ATOM 506 OH TYR A 109 11.459 6.472 -31.493 1.00 0.00 O ATOM 0 H TYR A 109 12.624 3.947 -26.663 1.00 0.00 H new ATOM 0 HA TYR A 109 12.188 1.088 -26.444 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.661 0.892 -28.910 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.357 1.568 -27.953 1.00 0.00 H new ATOM 0 HD1 TYR A 109 13.049 2.351 -30.371 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.746 3.929 -28.121 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.087 4.406 -31.756 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.784 5.984 -29.509 1.00 0.00 H new ATOM 0 HH TYR A 109 10.753 7.082 -31.193 1.00 0.00 H new ATOM 516 N PHE A 110 14.274 0.741 -27.953 1.00 0.00 N ATOM 517 CA PHE A 110 15.647 0.615 -28.425 1.00 0.00 C ATOM 518 C PHE A 110 15.681 0.354 -29.924 1.00 0.00 C ATOM 519 O PHE A 110 14.784 -0.284 -30.471 1.00 0.00 O ATOM 520 CB PHE A 110 16.348 -0.530 -27.689 1.00 0.00 C ATOM 521 CG PHE A 110 16.780 -0.062 -26.319 1.00 0.00 C ATOM 522 CD1 PHE A 110 15.865 -0.041 -25.263 1.00 0.00 C ATOM 523 CD2 PHE A 110 18.104 0.349 -26.108 1.00 0.00 C ATOM 524 CE1 PHE A 110 16.268 0.394 -23.993 1.00 0.00 C ATOM 525 CE2 PHE A 110 18.506 0.782 -24.840 1.00 0.00 C ATOM 526 CZ PHE A 110 17.589 0.804 -23.783 1.00 0.00 C ATOM 0 H PHE A 110 13.759 -0.138 -27.904 1.00 0.00 H new ATOM 0 HA PHE A 110 16.166 1.552 -28.222 1.00 0.00 H new ATOM 0 HB2 PHE A 110 15.675 -1.383 -27.598 1.00 0.00 H new ATOM 0 HB3 PHE A 110 17.214 -0.866 -28.259 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.846 -0.360 -25.426 1.00 0.00 H new ATOM 0 HD2 PHE A 110 18.812 0.331 -26.923 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.560 0.413 -23.178 1.00 0.00 H new ATOM 0 HE2 PHE A 110 19.525 1.100 -24.677 1.00 0.00 H new ATOM 0 HZ PHE A 110 17.901 1.138 -22.804 1.00 0.00 H new ATOM 536 N ILE A 111 16.722 0.854 -30.583 1.00 0.00 N ATOM 537 CA ILE A 111 16.860 0.672 -32.024 1.00 0.00 C ATOM 538 C ILE A 111 18.102 -0.159 -32.335 1.00 0.00 C ATOM 539 O ILE A 111 19.153 0.017 -31.716 1.00 0.00 O ATOM 540 CB ILE A 111 16.967 2.028 -32.717 1.00 0.00 C ATOM 541 CG1 ILE A 111 15.842 2.939 -32.220 1.00 0.00 C ATOM 542 CG2 ILE A 111 16.830 1.838 -34.230 1.00 0.00 C ATOM 543 CD1 ILE A 111 16.033 4.344 -32.794 1.00 0.00 C ATOM 0 H ILE A 111 17.476 1.384 -30.147 1.00 0.00 H new ATOM 0 HA ILE A 111 15.978 0.148 -32.393 1.00 0.00 H new ATOM 0 HB ILE A 111 17.933 2.479 -32.491 1.00 0.00 H new ATOM 0 HG12 ILE A 111 14.875 2.539 -32.524 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.844 2.976 -31.131 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.906 2.805 -34.727 1.00 0.00 H new ATOM 0 HG22 ILE A 111 17.624 1.183 -34.588 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.862 1.390 -34.454 1.00 0.00 H new ATOM 0 HD11 ILE A 111 15.232 4.993 -32.441 1.00 0.00 H new ATOM 0 HD12 ILE A 111 16.994 4.743 -32.468 1.00 0.00 H new ATOM 0 HD13 ILE A 111 16.009 4.299 -33.883 1.00 0.00 H new ATOM 555 N SER A 112 17.973 -1.067 -33.292 1.00 0.00 N ATOM 556 CA SER A 112 19.089 -1.929 -33.674 1.00 0.00 C ATOM 557 C SER A 112 19.758 -1.422 -34.947 1.00 0.00 C ATOM 558 O SER A 112 19.179 -0.631 -35.690 1.00 0.00 O ATOM 559 CB SER A 112 18.589 -3.360 -33.891 1.00 0.00 C ATOM 560 OG SER A 112 17.174 -3.381 -33.810 1.00 0.00 O ATOM 0 H SER A 112 17.113 -1.228 -33.817 1.00 0.00 H new ATOM 0 HA SER A 112 19.823 -1.915 -32.868 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.914 -3.727 -34.865 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.017 -4.024 -33.141 1.00 0.00 H new ATOM 0 HG SER A 112 16.797 -2.841 -34.535 1.00 0.00 H new ATOM 566 N PRO A 113 20.959 -1.860 -35.199 1.00 0.00 N ATOM 567 CA PRO A 113 21.738 -1.440 -36.403 1.00 0.00 C ATOM 568 C PRO A 113 21.048 -1.839 -37.704 1.00 0.00 C ATOM 569 O PRO A 113 21.287 -1.241 -38.752 1.00 0.00 O ATOM 570 CB PRO A 113 23.074 -2.167 -36.244 1.00 0.00 C ATOM 571 CG PRO A 113 22.807 -3.293 -35.300 1.00 0.00 C ATOM 572 CD PRO A 113 21.706 -2.813 -34.368 1.00 0.00 C ATOM 0 HA PRO A 113 21.844 -0.357 -36.464 1.00 0.00 H new ATOM 0 HB2 PRO A 113 23.436 -2.537 -37.203 1.00 0.00 H new ATOM 0 HB3 PRO A 113 23.840 -1.499 -35.851 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.498 -4.188 -35.839 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.705 -3.553 -34.740 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.075 -3.636 -34.032 1.00 0.00 H new ATOM 0 HD3 PRO A 113 22.112 -2.338 -33.475 1.00 0.00 H new ATOM 580 N GLN A 114 20.189 -2.849 -37.627 1.00 0.00 N ATOM 581 CA GLN A 114 19.465 -3.317 -38.803 1.00 0.00 C ATOM 582 C GLN A 114 18.283 -2.396 -39.101 1.00 0.00 C ATOM 583 O GLN A 114 17.520 -2.633 -40.037 1.00 0.00 O ATOM 584 CB GLN A 114 18.961 -4.742 -38.578 1.00 0.00 C ATOM 585 CG GLN A 114 20.152 -5.692 -38.448 1.00 0.00 C ATOM 586 CD GLN A 114 20.531 -5.855 -36.980 1.00 0.00 C ATOM 587 OE1 GLN A 114 20.299 -4.956 -36.175 1.00 0.00 O ATOM 588 NE2 GLN A 114 21.104 -6.958 -36.584 1.00 0.00 N ATOM 0 H GLN A 114 19.978 -3.357 -36.768 1.00 0.00 H new ATOM 0 HA GLN A 114 20.146 -3.307 -39.654 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.349 -4.784 -37.677 1.00 0.00 H new ATOM 0 HB3 GLN A 114 18.326 -5.050 -39.409 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.902 -6.662 -38.878 1.00 0.00 H new ATOM 0 HG3 GLN A 114 21.001 -5.303 -39.010 1.00 0.00 H new ATOM 0 HE21 GLN A 114 21.295 -7.702 -37.254 1.00 0.00 H new ATOM 0 HE22 GLN A 114 21.361 -7.076 -35.604 1.00 0.00 H new ATOM 597 N GLY A 115 18.138 -1.348 -38.294 1.00 0.00 N ATOM 598 CA GLY A 115 17.051 -0.396 -38.485 1.00 0.00 C ATOM 599 C GLY A 115 15.767 -0.901 -37.840 1.00 0.00 C ATOM 600 O GLY A 115 14.753 -0.202 -37.821 1.00 0.00 O ATOM 0 H GLY A 115 18.754 -1.139 -37.509 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.325 0.567 -38.054 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.888 -0.233 -39.550 1.00 0.00 H new ATOM 604 N LEU A 116 15.816 -2.119 -37.312 1.00 0.00 N ATOM 605 CA LEU A 116 14.648 -2.710 -36.667 1.00 0.00 C ATOM 606 C LEU A 116 14.486 -2.164 -35.252 1.00 0.00 C ATOM 607 O LEU A 116 15.467 -1.982 -34.532 1.00 0.00 O ATOM 608 CB LEU A 116 14.793 -4.232 -36.616 1.00 0.00 C ATOM 609 CG LEU A 116 14.882 -4.784 -38.040 1.00 0.00 C ATOM 610 CD1 LEU A 116 15.170 -6.285 -37.990 1.00 0.00 C ATOM 611 CD2 LEU A 116 13.555 -4.546 -38.764 1.00 0.00 C ATOM 0 H LEU A 116 16.645 -2.713 -37.317 1.00 0.00 H new ATOM 0 HA LEU A 116 13.764 -2.450 -37.249 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.686 -4.504 -36.053 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.942 -4.672 -36.097 1.00 0.00 H new ATOM 0 HG LEU A 116 15.685 -4.277 -38.575 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.233 -6.677 -39.005 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.115 -6.457 -37.475 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.367 -6.792 -37.454 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.618 -4.939 -39.779 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.752 -5.052 -38.228 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.348 -3.477 -38.802 1.00 0.00 H new ATOM 623 N LYS A 117 13.243 -1.907 -34.861 1.00 0.00 N ATOM 624 CA LYS A 117 12.965 -1.381 -33.529 1.00 0.00 C ATOM 625 C LYS A 117 12.258 -2.429 -32.675 1.00 0.00 C ATOM 626 O LYS A 117 11.509 -3.259 -33.189 1.00 0.00 O ATOM 627 CB LYS A 117 12.090 -0.132 -33.633 1.00 0.00 C ATOM 628 CG LYS A 117 12.824 0.942 -34.438 1.00 0.00 C ATOM 629 CD LYS A 117 12.004 2.234 -34.436 1.00 0.00 C ATOM 630 CE LYS A 117 12.750 3.313 -35.222 1.00 0.00 C ATOM 631 NZ LYS A 117 12.832 2.916 -36.656 1.00 0.00 N ATOM 0 H LYS A 117 12.417 -2.053 -35.442 1.00 0.00 H new ATOM 0 HA LYS A 117 13.913 -1.123 -33.057 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.143 -0.378 -34.114 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.854 0.243 -32.637 1.00 0.00 H new ATOM 0 HG2 LYS A 117 13.809 1.124 -34.008 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.981 0.600 -35.461 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.025 2.056 -34.881 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.833 2.567 -33.412 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.235 4.269 -35.127 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.751 3.449 -34.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.036 3.754 -37.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.591 2.216 -36.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.926 2.501 -36.954 1.00 0.00 H new ATOM 645 N PHE A 118 12.507 -2.387 -31.370 1.00 0.00 N ATOM 646 CA PHE A 118 11.888 -3.337 -30.454 1.00 0.00 C ATOM 647 C PHE A 118 11.432 -2.638 -29.180 1.00 0.00 C ATOM 648 O PHE A 118 12.156 -1.812 -28.622 1.00 0.00 O ATOM 649 CB PHE A 118 12.885 -4.445 -30.103 1.00 0.00 C ATOM 650 CG PHE A 118 13.295 -5.173 -31.361 1.00 0.00 C ATOM 651 CD1 PHE A 118 12.458 -6.155 -31.905 1.00 0.00 C ATOM 652 CD2 PHE A 118 14.510 -4.866 -31.984 1.00 0.00 C ATOM 653 CE1 PHE A 118 12.836 -6.829 -33.072 1.00 0.00 C ATOM 654 CE2 PHE A 118 14.889 -5.542 -33.150 1.00 0.00 C ATOM 655 CZ PHE A 118 14.052 -6.523 -33.694 1.00 0.00 C ATOM 0 H PHE A 118 13.128 -1.711 -30.926 1.00 0.00 H new ATOM 0 HA PHE A 118 11.017 -3.771 -30.945 1.00 0.00 H new ATOM 0 HB2 PHE A 118 13.762 -4.019 -29.615 1.00 0.00 H new ATOM 0 HB3 PHE A 118 12.435 -5.143 -29.397 1.00 0.00 H new ATOM 0 HD1 PHE A 118 11.521 -6.392 -31.424 1.00 0.00 H new ATOM 0 HD2 PHE A 118 15.155 -4.108 -31.565 1.00 0.00 H new ATOM 0 HE1 PHE A 118 12.190 -7.585 -33.492 1.00 0.00 H new ATOM 0 HE2 PHE A 118 15.827 -5.306 -33.630 1.00 0.00 H new ATOM 0 HZ PHE A 118 14.344 -7.044 -34.594 1.00 0.00 H new ATOM 665 N ARG A 119 10.233 -2.974 -28.722 1.00 0.00 N ATOM 666 CA ARG A 119 9.691 -2.375 -27.506 1.00 0.00 C ATOM 667 C ARG A 119 9.226 -3.455 -26.535 1.00 0.00 C ATOM 668 O ARG A 119 8.673 -3.157 -25.478 1.00 0.00 O ATOM 669 CB ARG A 119 8.520 -1.454 -27.855 1.00 0.00 C ATOM 670 CG ARG A 119 7.312 -2.298 -28.268 1.00 0.00 C ATOM 671 CD ARG A 119 6.243 -2.234 -27.176 1.00 0.00 C ATOM 672 NE ARG A 119 5.375 -3.402 -27.250 1.00 0.00 N ATOM 673 CZ ARG A 119 4.110 -3.346 -26.847 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.625 -2.230 -26.376 1.00 0.00 N ATOM 675 NH2 ARG A 119 3.354 -4.406 -26.921 1.00 0.00 N ATOM 0 H ARG A 119 9.619 -3.654 -29.170 1.00 0.00 H new ATOM 0 HA ARG A 119 10.479 -1.793 -27.028 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.266 -0.831 -26.998 1.00 0.00 H new ATOM 0 HB3 ARG A 119 8.801 -0.782 -28.665 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.905 -1.932 -29.211 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.617 -3.332 -28.432 1.00 0.00 H new ATOM 0 HD2 ARG A 119 6.717 -2.186 -26.196 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.652 -1.325 -27.289 1.00 0.00 H new ATOM 0 HE ARG A 119 5.745 -4.278 -27.618 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.217 -1.401 -26.317 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.654 -2.186 -26.067 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.734 -5.279 -27.288 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.383 -4.363 -26.612 1.00 0.00 H new ATOM 689 N SER A 120 9.447 -4.713 -26.907 1.00 0.00 N ATOM 690 CA SER A 120 9.039 -5.831 -26.064 1.00 0.00 C ATOM 691 C SER A 120 10.072 -6.951 -26.124 1.00 0.00 C ATOM 692 O SER A 120 10.738 -7.141 -27.143 1.00 0.00 O ATOM 693 CB SER A 120 7.682 -6.360 -26.518 1.00 0.00 C ATOM 694 OG SER A 120 7.294 -7.440 -25.678 1.00 0.00 O ATOM 0 H SER A 120 9.902 -4.982 -27.779 1.00 0.00 H new ATOM 0 HA SER A 120 8.963 -5.477 -25.036 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.937 -5.566 -26.476 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.736 -6.692 -27.555 1.00 0.00 H new ATOM 0 HG SER A 120 6.422 -7.781 -25.966 1.00 0.00 H new ATOM 700 N LYS A 121 10.203 -7.689 -25.026 1.00 0.00 N ATOM 701 CA LYS A 121 11.167 -8.780 -24.966 1.00 0.00 C ATOM 702 C LYS A 121 10.838 -9.845 -26.007 1.00 0.00 C ATOM 703 O LYS A 121 11.730 -10.365 -26.677 1.00 0.00 O ATOM 704 CB LYS A 121 11.150 -9.411 -23.570 1.00 0.00 C ATOM 705 CG LYS A 121 11.719 -8.419 -22.553 1.00 0.00 C ATOM 706 CD LYS A 121 11.991 -9.141 -21.232 1.00 0.00 C ATOM 707 CE LYS A 121 10.686 -9.730 -20.693 1.00 0.00 C ATOM 708 NZ LYS A 121 10.550 -11.140 -21.162 1.00 0.00 N ATOM 0 H LYS A 121 9.659 -7.553 -24.174 1.00 0.00 H new ATOM 0 HA LYS A 121 12.158 -8.377 -25.175 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.131 -9.685 -23.296 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.738 -10.329 -23.567 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.640 -7.978 -22.935 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.016 -7.601 -22.395 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.725 -9.933 -21.383 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.416 -8.447 -20.507 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.681 -9.695 -19.604 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.838 -9.137 -21.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.692 -11.232 -21.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.381 -11.398 -21.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.482 -11.774 -20.340 1.00 0.00 H new ATOM 722 N SER A 122 9.552 -10.162 -26.139 1.00 0.00 N ATOM 723 CA SER A 122 9.126 -11.173 -27.100 1.00 0.00 C ATOM 724 C SER A 122 9.457 -10.741 -28.523 1.00 0.00 C ATOM 725 O SER A 122 10.132 -11.460 -29.258 1.00 0.00 O ATOM 726 CB SER A 122 7.617 -11.397 -26.977 1.00 0.00 C ATOM 727 OG SER A 122 7.325 -11.945 -25.698 1.00 0.00 O ATOM 0 H SER A 122 8.796 -9.739 -25.600 1.00 0.00 H new ATOM 0 HA SER A 122 9.658 -12.099 -26.883 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.086 -10.455 -27.111 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.273 -12.071 -27.761 1.00 0.00 H new ATOM 0 HG SER A 122 6.359 -12.088 -25.616 1.00 0.00 H new ATOM 733 N SER A 123 8.999 -9.550 -28.898 1.00 0.00 N ATOM 734 CA SER A 123 9.253 -9.037 -30.240 1.00 0.00 C ATOM 735 C SER A 123 10.712 -9.260 -30.624 1.00 0.00 C ATOM 736 O SER A 123 11.004 -9.753 -31.716 1.00 0.00 O ATOM 737 CB SER A 123 8.943 -7.537 -30.284 1.00 0.00 C ATOM 738 OG SER A 123 7.563 -7.335 -30.007 1.00 0.00 O ATOM 0 H SER A 123 8.456 -8.928 -28.299 1.00 0.00 H new ATOM 0 HA SER A 123 8.613 -9.568 -30.945 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.554 -7.006 -29.554 1.00 0.00 H new ATOM 0 HB3 SER A 123 9.192 -7.131 -31.264 1.00 0.00 H new ATOM 0 HG SER A 123 7.361 -6.376 -30.033 1.00 0.00 H new ATOM 744 N LEU A 124 11.622 -8.905 -29.724 1.00 0.00 N ATOM 745 CA LEU A 124 13.044 -9.080 -29.984 1.00 0.00 C ATOM 746 C LEU A 124 13.395 -10.562 -30.094 1.00 0.00 C ATOM 747 O LEU A 124 14.117 -10.972 -30.999 1.00 0.00 O ATOM 748 CB LEU A 124 13.862 -8.445 -28.857 1.00 0.00 C ATOM 749 CG LEU A 124 15.355 -8.631 -29.139 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.717 -7.947 -30.457 1.00 0.00 C ATOM 751 CD2 LEU A 124 16.169 -8.008 -28.003 1.00 0.00 C ATOM 0 H LEU A 124 11.402 -8.498 -28.815 1.00 0.00 H new ATOM 0 HA LEU A 124 13.282 -8.592 -30.929 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.626 -7.384 -28.776 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.602 -8.903 -27.903 1.00 0.00 H new ATOM 0 HG LEU A 124 15.580 -9.695 -29.209 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.780 -8.080 -30.656 1.00 0.00 H new ATOM 0 HD12 LEU A 124 15.138 -8.389 -31.268 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.491 -6.883 -30.389 1.00 0.00 H new ATOM 0 HD21 LEU A 124 17.232 -8.140 -28.203 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.942 -6.944 -27.934 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.913 -8.496 -27.062 1.00 0.00 H new ATOM 763 N ALA A 125 12.874 -11.358 -29.167 1.00 0.00 N ATOM 764 CA ALA A 125 13.145 -12.790 -29.164 1.00 0.00 C ATOM 765 C ALA A 125 12.692 -13.420 -30.476 1.00 0.00 C ATOM 766 O ALA A 125 13.303 -14.372 -30.962 1.00 0.00 O ATOM 767 CB ALA A 125 12.419 -13.458 -27.993 1.00 0.00 C ATOM 0 H ALA A 125 12.266 -11.039 -28.413 1.00 0.00 H new ATOM 0 HA ALA A 125 14.219 -12.939 -29.054 1.00 0.00 H new ATOM 0 HB1 ALA A 125 12.627 -14.528 -27.999 1.00 0.00 H new ATOM 0 HB2 ALA A 125 12.767 -13.026 -27.055 1.00 0.00 H new ATOM 0 HB3 ALA A 125 11.345 -13.297 -28.091 1.00 0.00 H new ATOM 773 N ASN A 126 11.611 -12.890 -31.039 1.00 0.00 N ATOM 774 CA ASN A 126 11.080 -13.412 -32.295 1.00 0.00 C ATOM 775 C ASN A 126 12.018 -13.087 -33.453 1.00 0.00 C ATOM 776 O ASN A 126 12.400 -13.968 -34.219 1.00 0.00 O ATOM 777 CB ASN A 126 9.701 -12.813 -32.566 1.00 0.00 C ATOM 778 CG ASN A 126 9.105 -13.429 -33.827 1.00 0.00 C ATOM 779 OD1 ASN A 126 9.787 -14.162 -34.543 1.00 0.00 O ATOM 780 ND2 ASN A 126 7.865 -13.171 -34.145 1.00 0.00 N ATOM 0 H ASN A 126 11.088 -12.105 -30.650 1.00 0.00 H new ATOM 0 HA ASN A 126 10.995 -14.495 -32.209 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.043 -12.995 -31.716 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.781 -11.732 -32.682 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.460 -13.577 -34.988 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.302 -12.563 -33.550 1.00 0.00 H new ATOM 787 N TYR A 127 12.388 -11.814 -33.567 1.00 0.00 N ATOM 788 CA TYR A 127 13.288 -11.383 -34.631 1.00 0.00 C ATOM 789 C TYR A 127 14.595 -12.167 -34.571 1.00 0.00 C ATOM 790 O TYR A 127 15.090 -12.642 -35.594 1.00 0.00 O ATOM 791 CB TYR A 127 13.578 -9.889 -34.494 1.00 0.00 C ATOM 792 CG TYR A 127 14.840 -9.551 -35.253 1.00 0.00 C ATOM 793 CD1 TYR A 127 14.837 -9.538 -36.652 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.015 -9.250 -34.552 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.009 -9.226 -37.351 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.186 -8.937 -35.251 1.00 0.00 C ATOM 797 CZ TYR A 127 17.183 -8.924 -36.651 1.00 0.00 C ATOM 798 OH TYR A 127 18.338 -8.616 -37.341 1.00 0.00 O ATOM 0 H TYR A 127 12.081 -11.069 -32.941 1.00 0.00 H new ATOM 0 HA TYR A 127 12.807 -11.571 -35.591 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.741 -9.308 -34.881 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.691 -9.624 -33.443 1.00 0.00 H new ATOM 0 HD1 TYR A 127 13.931 -9.769 -37.192 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.017 -9.260 -33.472 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.007 -9.218 -38.431 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.092 -8.705 -34.711 1.00 0.00 H new ATOM 0 HH TYR A 127 18.106 -8.193 -38.194 1.00 0.00 H new ATOM 808 N LEU A 128 15.147 -12.295 -33.367 1.00 0.00 N ATOM 809 CA LEU A 128 16.405 -13.015 -33.194 1.00 0.00 C ATOM 810 C LEU A 128 16.265 -14.458 -33.672 1.00 0.00 C ATOM 811 O LEU A 128 17.109 -14.957 -34.416 1.00 0.00 O ATOM 812 CB LEU A 128 16.804 -13.006 -31.716 1.00 0.00 C ATOM 813 CG LEU A 128 17.162 -11.580 -31.292 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.423 -11.545 -29.786 1.00 0.00 C ATOM 815 CD2 LEU A 128 18.418 -11.125 -32.038 1.00 0.00 C ATOM 0 H LEU A 128 14.750 -11.915 -32.508 1.00 0.00 H new ATOM 0 HA LEU A 128 17.174 -12.520 -33.787 1.00 0.00 H new ATOM 0 HB2 LEU A 128 15.984 -13.383 -31.105 1.00 0.00 H new ATOM 0 HB3 LEU A 128 17.654 -13.669 -31.554 1.00 0.00 H new ATOM 0 HG LEU A 128 16.335 -10.912 -31.533 1.00 0.00 H new ATOM 0 HD11 LEU A 128 17.678 -10.529 -29.484 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.528 -11.868 -29.254 1.00 0.00 H new ATOM 0 HD13 LEU A 128 18.249 -12.213 -29.544 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.673 -10.109 -31.736 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.245 -11.793 -31.799 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.232 -11.148 -33.112 1.00 0.00 H new ATOM 827 N HIS A 129 15.191 -15.117 -33.254 1.00 0.00 N ATOM 828 CA HIS A 129 14.940 -16.493 -33.661 1.00 0.00 C ATOM 829 C HIS A 129 14.693 -16.563 -35.168 1.00 0.00 C ATOM 830 O HIS A 129 15.043 -17.546 -35.819 1.00 0.00 O ATOM 831 CB HIS A 129 13.729 -17.050 -32.915 1.00 0.00 C ATOM 832 CG HIS A 129 13.564 -18.509 -33.243 1.00 0.00 C ATOM 833 ND1 HIS A 129 14.418 -19.479 -32.744 1.00 0.00 N ATOM 834 CD2 HIS A 129 12.650 -19.177 -34.021 1.00 0.00 C ATOM 835 CE1 HIS A 129 14.004 -20.667 -33.220 1.00 0.00 C ATOM 836 NE2 HIS A 129 12.929 -20.540 -34.003 1.00 0.00 N ATOM 0 H HIS A 129 14.482 -14.722 -32.636 1.00 0.00 H new ATOM 0 HA HIS A 129 15.817 -17.092 -33.416 1.00 0.00 H new ATOM 0 HB2 HIS A 129 13.859 -16.921 -31.841 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.831 -16.500 -33.196 1.00 0.00 H new ATOM 0 HD2 HIS A 129 11.839 -18.715 -34.564 1.00 0.00 H new ATOM 0 HE1 HIS A 129 14.482 -21.609 -32.996 1.00 0.00 H new ATOM 0 HE2 HIS A 129 12.422 -21.283 -34.484 1.00 0.00 H new ATOM 845 N LYS A 130 14.071 -15.518 -35.708 1.00 0.00 N ATOM 846 CA LYS A 130 13.775 -15.473 -37.134 1.00 0.00 C ATOM 847 C LYS A 130 15.051 -15.305 -37.949 1.00 0.00 C ATOM 848 O LYS A 130 15.230 -15.949 -38.983 1.00 0.00 O ATOM 849 CB LYS A 130 12.818 -14.317 -37.432 1.00 0.00 C ATOM 850 CG LYS A 130 12.521 -14.272 -38.931 1.00 0.00 C ATOM 851 CD LYS A 130 11.361 -13.310 -39.197 1.00 0.00 C ATOM 852 CE LYS A 130 11.817 -11.873 -38.940 1.00 0.00 C ATOM 853 NZ LYS A 130 10.780 -10.927 -39.436 1.00 0.00 N ATOM 0 H LYS A 130 13.765 -14.698 -35.184 1.00 0.00 H new ATOM 0 HA LYS A 130 13.306 -16.416 -37.415 1.00 0.00 H new ATOM 0 HB2 LYS A 130 11.892 -14.444 -36.871 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.259 -13.374 -37.110 1.00 0.00 H new ATOM 0 HG2 LYS A 130 13.407 -13.949 -39.478 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.270 -15.269 -39.292 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.017 -13.415 -40.226 1.00 0.00 H new ATOM 0 HD3 LYS A 130 10.517 -13.555 -38.552 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.985 -11.719 -37.874 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.766 -11.686 -39.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 11.090 -9.950 -39.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.640 -11.069 -40.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.884 -11.101 -38.937 1.00 0.00 H new ATOM 867 N ASN A 131 15.937 -14.432 -37.477 1.00 0.00 N ATOM 868 CA ASN A 131 17.194 -14.181 -38.172 1.00 0.00 C ATOM 869 C ASN A 131 18.122 -15.386 -38.056 1.00 0.00 C ATOM 870 O ASN A 131 19.031 -15.563 -38.865 1.00 0.00 O ATOM 871 CB ASN A 131 17.877 -12.945 -37.587 1.00 0.00 C ATOM 872 CG ASN A 131 19.047 -12.526 -38.472 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.844 -13.367 -38.890 1.00 0.00 O ATOM 874 ND2 ASN A 131 19.195 -11.269 -38.787 1.00 0.00 N ATOM 0 H ASN A 131 15.808 -13.890 -36.622 1.00 0.00 H new ATOM 0 HA ASN A 131 16.976 -14.008 -39.226 1.00 0.00 H new ATOM 0 HB2 ASN A 131 17.160 -12.128 -37.507 1.00 0.00 H new ATOM 0 HB3 ASN A 131 18.232 -13.159 -36.579 1.00 0.00 H new ATOM 0 HD21 ASN A 131 19.972 -10.980 -39.381 1.00 0.00 H new ATOM 0 HD22 ASN A 131 18.533 -10.575 -38.439 1.00 0.00 H new ATOM 881 N GLY A 132 17.884 -16.211 -37.042 1.00 0.00 N ATOM 882 CA GLY A 132 18.701 -17.400 -36.829 1.00 0.00 C ATOM 883 C GLY A 132 19.739 -17.165 -35.741 1.00 0.00 C ATOM 884 O GLY A 132 20.307 -18.112 -35.195 1.00 0.00 O ATOM 0 H GLY A 132 17.138 -16.080 -36.359 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.062 -18.239 -36.551 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.200 -17.673 -37.759 1.00 0.00 H new ATOM 888 N GLU A 133 19.982 -15.898 -35.426 1.00 0.00 N ATOM 889 CA GLU A 133 20.952 -15.548 -34.394 1.00 0.00 C ATOM 890 C GLU A 133 20.257 -15.374 -33.046 1.00 0.00 C ATOM 891 O GLU A 133 19.530 -14.405 -32.833 1.00 0.00 O ATOM 892 CB GLU A 133 21.674 -14.253 -34.769 1.00 0.00 C ATOM 893 CG GLU A 133 20.688 -13.295 -35.439 1.00 0.00 C ATOM 894 CD GLU A 133 21.273 -11.886 -35.475 1.00 0.00 C ATOM 895 OE1 GLU A 133 21.463 -11.319 -34.412 1.00 0.00 O ATOM 896 OE2 GLU A 133 21.520 -11.397 -36.564 1.00 0.00 O ATOM 0 H GLU A 133 19.524 -15.100 -35.867 1.00 0.00 H new ATOM 0 HA GLU A 133 21.679 -16.357 -34.316 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.099 -13.790 -33.878 1.00 0.00 H new ATOM 0 HB3 GLU A 133 22.503 -14.468 -35.443 1.00 0.00 H new ATOM 0 HG2 GLU A 133 20.471 -13.633 -36.452 1.00 0.00 H new ATOM 0 HG3 GLU A 133 19.744 -13.292 -34.894 1.00 0.00 H new ATOM 903 N THR A 134 20.490 -16.319 -32.140 1.00 0.00 N ATOM 904 CA THR A 134 19.883 -16.260 -30.815 1.00 0.00 C ATOM 905 C THR A 134 20.925 -15.892 -29.764 1.00 0.00 C ATOM 906 O THR A 134 20.656 -15.943 -28.564 1.00 0.00 O ATOM 907 CB THR A 134 19.254 -17.609 -30.466 1.00 0.00 C ATOM 908 OG1 THR A 134 20.257 -18.615 -30.488 1.00 0.00 O ATOM 909 CG2 THR A 134 18.167 -17.948 -31.487 1.00 0.00 C ATOM 0 H THR A 134 21.090 -17.129 -32.297 1.00 0.00 H new ATOM 0 HA THR A 134 19.109 -15.493 -30.825 1.00 0.00 H new ATOM 0 HB THR A 134 18.810 -17.557 -29.472 1.00 0.00 H new ATOM 0 HG1 THR A 134 19.857 -19.481 -30.263 1.00 0.00 H new ATOM 0 HG21 THR A 134 17.720 -18.910 -31.237 1.00 0.00 H new ATOM 0 HG22 THR A 134 17.398 -17.175 -31.470 1.00 0.00 H new ATOM 0 HG23 THR A 134 18.607 -18.001 -32.483 1.00 0.00 H new ATOM 917 N SER A 135 22.116 -15.523 -30.223 1.00 0.00 N ATOM 918 CA SER A 135 23.191 -15.147 -29.311 1.00 0.00 C ATOM 919 C SER A 135 22.787 -13.932 -28.481 1.00 0.00 C ATOM 920 O SER A 135 23.275 -13.740 -27.367 1.00 0.00 O ATOM 921 CB SER A 135 24.457 -14.822 -30.106 1.00 0.00 C ATOM 922 OG SER A 135 24.217 -13.691 -30.932 1.00 0.00 O ATOM 0 H SER A 135 22.361 -15.476 -31.212 1.00 0.00 H new ATOM 0 HA SER A 135 23.385 -15.985 -28.641 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.285 -14.621 -29.426 1.00 0.00 H new ATOM 0 HB3 SER A 135 24.746 -15.677 -30.716 1.00 0.00 H new ATOM 0 HG SER A 135 25.027 -13.480 -31.441 1.00 0.00 H new ATOM 928 N LEU A 136 21.889 -13.118 -29.027 1.00 0.00 N ATOM 929 CA LEU A 136 21.422 -11.930 -28.324 1.00 0.00 C ATOM 930 C LEU A 136 20.241 -12.271 -27.420 1.00 0.00 C ATOM 931 O LEU A 136 19.435 -13.143 -27.742 1.00 0.00 O ATOM 932 CB LEU A 136 21.003 -10.858 -29.332 1.00 0.00 C ATOM 933 CG LEU A 136 22.028 -9.723 -29.326 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.414 -10.283 -29.645 1.00 0.00 C ATOM 935 CD2 LEU A 136 21.643 -8.684 -30.382 1.00 0.00 C ATOM 0 H LEU A 136 21.473 -13.258 -29.948 1.00 0.00 H new ATOM 0 HA LEU A 136 22.238 -11.551 -27.709 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.930 -11.291 -30.330 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.016 -10.472 -29.079 1.00 0.00 H new ATOM 0 HG LEU A 136 22.044 -9.254 -28.342 1.00 0.00 H new ATOM 0 HD11 LEU A 136 24.144 -9.473 -29.640 1.00 0.00 H new ATOM 0 HD12 LEU A 136 23.689 -11.023 -28.894 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.399 -10.752 -30.629 1.00 0.00 H new ATOM 0 HD21 LEU A 136 22.373 -7.874 -30.379 1.00 0.00 H new ATOM 0 HD22 LEU A 136 21.626 -9.154 -31.365 1.00 0.00 H new ATOM 0 HD23 LEU A 136 20.655 -8.283 -30.155 1.00 0.00 H new ATOM 947 N LYS A 137 20.147 -11.576 -26.291 1.00 0.00 N ATOM 948 CA LYS A 137 19.061 -11.813 -25.353 1.00 0.00 C ATOM 949 C LYS A 137 18.331 -10.509 -25.037 1.00 0.00 C ATOM 950 O LYS A 137 18.928 -9.431 -25.057 1.00 0.00 O ATOM 951 CB LYS A 137 19.609 -12.419 -24.057 1.00 0.00 C ATOM 952 CG LYS A 137 20.222 -13.788 -24.356 1.00 0.00 C ATOM 953 CD LYS A 137 20.760 -14.402 -23.062 1.00 0.00 C ATOM 954 CE LYS A 137 21.371 -15.771 -23.360 1.00 0.00 C ATOM 955 NZ LYS A 137 21.881 -16.375 -22.096 1.00 0.00 N ATOM 0 H LYS A 137 20.805 -10.850 -26.007 1.00 0.00 H new ATOM 0 HA LYS A 137 18.358 -12.510 -25.810 1.00 0.00 H new ATOM 0 HB2 LYS A 137 20.360 -11.759 -23.623 1.00 0.00 H new ATOM 0 HB3 LYS A 137 18.810 -12.519 -23.323 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.473 -14.445 -24.798 1.00 0.00 H new ATOM 0 HG3 LYS A 137 21.027 -13.686 -25.084 1.00 0.00 H new ATOM 0 HD2 LYS A 137 21.510 -13.746 -22.621 1.00 0.00 H new ATOM 0 HD3 LYS A 137 19.956 -14.502 -22.333 1.00 0.00 H new ATOM 0 HE2 LYS A 137 20.624 -16.424 -23.812 1.00 0.00 H new ATOM 0 HE3 LYS A 137 22.183 -15.670 -24.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 22.297 -17.306 -22.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 22.607 -15.755 -21.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 21.096 -16.486 -21.423 1.00 0.00 H new ATOM 969 N PRO A 138 17.066 -10.595 -24.729 1.00 0.00 N ATOM 970 CA PRO A 138 16.240 -9.408 -24.367 1.00 0.00 C ATOM 971 C PRO A 138 16.929 -8.538 -23.315 1.00 0.00 C ATOM 972 O PRO A 138 16.707 -7.329 -23.256 1.00 0.00 O ATOM 973 CB PRO A 138 14.957 -10.023 -23.803 1.00 0.00 C ATOM 974 CG PRO A 138 14.851 -11.371 -24.433 1.00 0.00 C ATOM 975 CD PRO A 138 16.275 -11.836 -24.719 1.00 0.00 C ATOM 0 HA PRO A 138 16.066 -8.750 -25.218 1.00 0.00 H new ATOM 0 HB2 PRO A 138 15.003 -10.100 -22.717 1.00 0.00 H new ATOM 0 HB3 PRO A 138 14.089 -9.409 -24.042 1.00 0.00 H new ATOM 0 HG2 PRO A 138 14.342 -12.069 -23.769 1.00 0.00 H new ATOM 0 HG3 PRO A 138 14.268 -11.323 -25.353 1.00 0.00 H new ATOM 0 HD2 PRO A 138 16.629 -12.528 -23.954 1.00 0.00 H new ATOM 0 HD3 PRO A 138 16.339 -12.357 -25.674 1.00 0.00 H new ATOM 983 N GLU A 139 17.764 -9.159 -22.490 1.00 0.00 N ATOM 984 CA GLU A 139 18.483 -8.431 -21.452 1.00 0.00 C ATOM 985 C GLU A 139 19.423 -7.402 -22.074 1.00 0.00 C ATOM 986 O GLU A 139 20.035 -6.598 -21.371 1.00 0.00 O ATOM 987 CB GLU A 139 19.287 -9.406 -20.589 1.00 0.00 C ATOM 988 CG GLU A 139 19.785 -8.686 -19.334 1.00 0.00 C ATOM 989 CD GLU A 139 20.387 -9.693 -18.360 1.00 0.00 C ATOM 990 OE1 GLU A 139 20.419 -10.865 -18.695 1.00 0.00 O ATOM 991 OE2 GLU A 139 20.803 -9.278 -17.291 1.00 0.00 O ATOM 0 H GLU A 139 17.959 -10.160 -22.519 1.00 0.00 H new ATOM 0 HA GLU A 139 17.755 -7.912 -20.828 1.00 0.00 H new ATOM 0 HB2 GLU A 139 18.667 -10.258 -20.310 1.00 0.00 H new ATOM 0 HB3 GLU A 139 20.132 -9.798 -21.155 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.531 -7.939 -19.605 1.00 0.00 H new ATOM 0 HG3 GLU A 139 18.961 -8.155 -18.858 1.00 0.00 H new ATOM 998 N ASP A 140 19.540 -7.440 -23.398 1.00 0.00 N ATOM 999 CA ASP A 140 20.416 -6.511 -24.101 1.00 0.00 C ATOM 1000 C ASP A 140 19.848 -5.095 -24.064 1.00 0.00 C ATOM 1001 O ASP A 140 20.597 -4.120 -24.020 1.00 0.00 O ATOM 1002 CB ASP A 140 20.584 -6.956 -25.556 1.00 0.00 C ATOM 1003 CG ASP A 140 21.681 -6.136 -26.230 1.00 0.00 C ATOM 1004 OD1 ASP A 140 22.820 -6.248 -25.809 1.00 0.00 O ATOM 1005 OD2 ASP A 140 21.364 -5.408 -27.155 1.00 0.00 O ATOM 0 H ASP A 140 19.044 -8.097 -24.000 1.00 0.00 H new ATOM 0 HA ASP A 140 21.385 -6.511 -23.603 1.00 0.00 H new ATOM 0 HB2 ASP A 140 20.836 -8.016 -25.594 1.00 0.00 H new ATOM 0 HB3 ASP A 140 19.644 -6.832 -26.094 1.00 0.00 H new ATOM 1010 N PHE A 141 18.521 -4.993 -24.080 1.00 0.00 N ATOM 1011 CA PHE A 141 17.867 -3.692 -24.047 1.00 0.00 C ATOM 1012 C PHE A 141 17.061 -3.533 -22.761 1.00 0.00 C ATOM 1013 O PHE A 141 16.170 -4.333 -22.473 1.00 0.00 O ATOM 1014 CB PHE A 141 16.940 -3.543 -25.254 1.00 0.00 C ATOM 1015 CG PHE A 141 15.641 -4.263 -24.986 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.529 -5.631 -25.255 1.00 0.00 C ATOM 1017 CD2 PHE A 141 14.547 -3.559 -24.464 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.324 -6.297 -25.004 1.00 0.00 C ATOM 1019 CE2 PHE A 141 13.342 -4.225 -24.214 1.00 0.00 C ATOM 1020 CZ PHE A 141 13.231 -5.594 -24.483 1.00 0.00 C ATOM 0 H PHE A 141 17.884 -5.789 -24.115 1.00 0.00 H new ATOM 0 HA PHE A 141 18.634 -2.918 -24.081 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.749 -2.488 -25.451 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.417 -3.952 -26.145 1.00 0.00 H new ATOM 0 HD1 PHE A 141 16.372 -6.173 -25.656 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.634 -2.503 -24.255 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.237 -7.353 -25.212 1.00 0.00 H new ATOM 0 HE2 PHE A 141 12.498 -3.683 -23.814 1.00 0.00 H new ATOM 0 HZ PHE A 141 12.302 -6.109 -24.289 1.00 0.00 H new ATOM 1030 N ASP A 142 17.380 -2.497 -21.993 1.00 0.00 N ATOM 1031 CA ASP A 142 16.675 -2.239 -20.742 1.00 0.00 C ATOM 1032 C ASP A 142 16.017 -0.864 -20.772 1.00 0.00 C ATOM 1033 O ASP A 142 16.662 0.134 -21.092 1.00 0.00 O ATOM 1034 CB ASP A 142 17.648 -2.320 -19.566 1.00 0.00 C ATOM 1035 CG ASP A 142 18.077 -3.766 -19.342 1.00 0.00 C ATOM 1036 OD1 ASP A 142 17.409 -4.647 -19.857 1.00 0.00 O ATOM 1037 OD2 ASP A 142 19.068 -3.971 -18.660 1.00 0.00 O ATOM 0 H ASP A 142 18.117 -1.826 -22.212 1.00 0.00 H new ATOM 0 HA ASP A 142 15.900 -2.996 -20.621 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.522 -1.699 -19.763 1.00 0.00 H new ATOM 0 HB3 ASP A 142 17.176 -1.929 -18.665 1.00 0.00 H new ATOM 1042 N PHE A 143 14.734 -0.817 -20.433 1.00 0.00 N ATOM 1043 CA PHE A 143 13.999 0.443 -20.427 1.00 0.00 C ATOM 1044 C PHE A 143 14.685 1.457 -19.514 1.00 0.00 C ATOM 1045 O PHE A 143 14.984 1.162 -18.358 1.00 0.00 O ATOM 1046 CB PHE A 143 12.567 0.211 -19.947 1.00 0.00 C ATOM 1047 CG PHE A 143 12.520 0.283 -18.440 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.817 -0.851 -17.675 1.00 0.00 C ATOM 1049 CD2 PHE A 143 12.181 1.485 -17.807 1.00 0.00 C ATOM 1050 CE1 PHE A 143 12.775 -0.784 -16.276 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.139 1.553 -16.410 1.00 0.00 C ATOM 1052 CZ PHE A 143 12.436 0.418 -15.645 1.00 0.00 C ATOM 0 H PHE A 143 14.183 -1.631 -20.160 1.00 0.00 H new ATOM 0 HA PHE A 143 13.981 0.837 -21.443 1.00 0.00 H new ATOM 0 HB2 PHE A 143 11.903 0.960 -20.378 1.00 0.00 H new ATOM 0 HB3 PHE A 143 12.212 -0.762 -20.286 1.00 0.00 H new ATOM 0 HD1 PHE A 143 13.079 -1.778 -18.163 1.00 0.00 H new ATOM 0 HD2 PHE A 143 11.952 2.360 -18.397 1.00 0.00 H new ATOM 0 HE1 PHE A 143 13.004 -1.659 -15.686 1.00 0.00 H new ATOM 0 HE2 PHE A 143 11.878 2.480 -15.922 1.00 0.00 H new ATOM 0 HZ PHE A 143 12.403 0.471 -14.567 1.00 0.00 H new