USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 MET CE :methyl -118:sc= -1.16 (180deg=-7.21!) USER MOD Set 1.2: A 49 TYR OH : rot 130:sc= -0.0531 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00314 USER MOD Single : A 17 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.12) USER MOD Single : A 24 THR OG1 : rot 73:sc= 1.15 USER MOD Single : A 25 TYR OH : rot 100:sc= -0.0459 USER MOD Single : A 31 MET CE :methyl -150:sc= -0.49 (180deg=-1.7!) USER MOD Single : A 32 MET CE :methyl -158:sc= -0.195 (180deg=-0.909) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 25:sc= 0.209 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -2.46! C(o=-2.5!,f=-4.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 130:sc= -2.69! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 159:sc= -3.61! (180deg=-3.79!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.225 F(o=-1.6!,f=0.23) USER MOD Single : A 81 ASN : amide:sc= -7.37! C(o=-7.4!,f=-10!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS :FLIP no HD1:sc= -1.35 F(o=-1.9!,f=-1.4) USER MOD Single : A 131 HIS : no HD1:sc= -0.299 X(o=-0.29,f=-0.75) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 2.892 4.659 18.449 1.00 0.00 N ATOM 96 CA PRO A 7 3.670 5.891 18.264 1.00 0.00 C ATOM 97 C PRO A 7 4.121 6.093 16.827 1.00 0.00 C ATOM 98 O PRO A 7 4.859 7.028 16.516 1.00 0.00 O ATOM 99 CB PRO A 7 4.888 5.698 19.173 1.00 0.00 C ATOM 100 CG PRO A 7 4.532 4.565 20.076 1.00 0.00 C ATOM 101 CD PRO A 7 3.614 3.687 19.281 1.00 0.00 C ATOM 0 HA PRO A 7 3.075 6.772 18.504 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.781 5.471 18.591 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.101 6.603 19.743 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.422 4.019 20.389 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.043 4.925 20.982 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.164 2.965 18.678 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.939 3.119 19.921 1.00 0.00 H new ATOM 109 N VAL A 8 3.670 5.208 15.965 1.00 0.00 N ATOM 110 CA VAL A 8 4.012 5.265 14.548 1.00 0.00 C ATOM 111 C VAL A 8 2.891 5.899 13.734 1.00 0.00 C ATOM 112 O VAL A 8 1.732 5.496 13.835 1.00 0.00 O ATOM 113 CB VAL A 8 4.303 3.863 13.979 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.677 3.947 12.507 1.00 0.00 C ATOM 115 CG2 VAL A 8 5.400 3.178 14.780 1.00 0.00 C ATOM 0 H VAL A 8 3.059 4.431 16.217 1.00 0.00 H new ATOM 0 HA VAL A 8 4.910 5.878 14.470 1.00 0.00 H new ATOM 0 HB VAL A 8 3.397 3.263 14.063 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.878 2.946 12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.853 4.390 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.568 4.565 12.393 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.591 2.189 14.363 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.311 3.774 14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.084 3.079 15.819 1.00 0.00 H new ATOM 125 N THR A 9 3.247 6.891 12.927 1.00 0.00 N ATOM 126 CA THR A 9 2.278 7.585 12.088 1.00 0.00 C ATOM 127 C THR A 9 2.919 8.039 10.783 1.00 0.00 C ATOM 128 O THR A 9 4.069 8.481 10.766 1.00 0.00 O ATOM 129 CB THR A 9 1.680 8.812 12.800 1.00 0.00 C ATOM 130 OG1 THR A 9 2.725 9.708 13.196 1.00 0.00 O ATOM 131 CG2 THR A 9 0.872 8.396 14.020 1.00 0.00 C ATOM 0 H THR A 9 4.203 7.234 12.836 1.00 0.00 H new ATOM 0 HA THR A 9 1.478 6.875 11.880 1.00 0.00 H new ATOM 0 HB THR A 9 1.014 9.317 12.101 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.335 10.486 13.646 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.461 9.282 14.504 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.058 7.741 13.711 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.518 7.866 14.721 1.00 0.00 H new ATOM 139 N ALA A 10 2.171 7.928 9.694 1.00 0.00 N ATOM 140 CA ALA A 10 2.669 8.331 8.386 1.00 0.00 C ATOM 141 C ALA A 10 2.581 9.841 8.213 1.00 0.00 C ATOM 142 O ALA A 10 2.084 10.549 9.089 1.00 0.00 O ATOM 143 CB ALA A 10 1.896 7.623 7.284 1.00 0.00 C ATOM 0 H ALA A 10 1.219 7.563 9.690 1.00 0.00 H new ATOM 0 HA ALA A 10 3.718 8.043 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.280 7.935 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.014 6.545 7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.840 7.882 7.357 1.00 0.00 H new ATOM 149 N SER A 11 3.065 10.329 7.078 1.00 0.00 N ATOM 150 CA SER A 11 3.042 11.759 6.789 1.00 0.00 C ATOM 151 C SER A 11 3.070 12.010 5.285 1.00 0.00 C ATOM 152 O SER A 11 3.539 11.172 4.518 1.00 0.00 O ATOM 153 CB SER A 11 4.229 12.454 7.458 1.00 0.00 C ATOM 154 OG SER A 11 4.223 13.845 7.191 1.00 0.00 O ATOM 0 H SER A 11 3.478 9.757 6.342 1.00 0.00 H new ATOM 0 HA SER A 11 2.116 12.172 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.192 12.287 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.160 12.016 7.099 1.00 0.00 H new ATOM 0 HG SER A 11 4.991 14.266 7.631 1.00 0.00 H new ATOM 160 N LEU A 12 2.565 13.165 4.868 1.00 0.00 N ATOM 161 CA LEU A 12 2.537 13.512 3.452 1.00 0.00 C ATOM 162 C LEU A 12 3.817 14.232 3.043 1.00 0.00 C ATOM 163 O LEU A 12 4.123 15.313 3.548 1.00 0.00 O ATOM 164 CB LEU A 12 1.322 14.389 3.143 1.00 0.00 C ATOM 165 CG LEU A 12 0.941 14.462 1.664 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.530 13.089 1.153 1.00 0.00 C ATOM 167 CD2 LEU A 12 -0.177 15.470 1.451 1.00 0.00 C ATOM 0 H LEU A 12 2.171 13.874 5.486 1.00 0.00 H new ATOM 0 HA LEU A 12 2.463 12.588 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.468 14.012 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.520 15.399 3.503 1.00 0.00 H new ATOM 0 HG LEU A 12 1.812 14.793 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.262 13.158 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.361 12.393 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.327 12.730 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.435 15.509 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.052 15.170 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.154 16.455 1.780 1.00 0.00 H new ATOM 179 N VAL A 13 4.561 13.623 2.127 1.00 0.00 N ATOM 180 CA VAL A 13 5.812 14.200 1.648 1.00 0.00 C ATOM 181 C VAL A 13 5.546 15.299 0.623 1.00 0.00 C ATOM 182 O VAL A 13 4.481 15.339 0.006 1.00 0.00 O ATOM 183 CB VAL A 13 6.718 13.123 1.018 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.105 13.682 0.738 1.00 0.00 C ATOM 185 CG2 VAL A 13 6.801 11.901 1.920 1.00 0.00 C ATOM 0 H VAL A 13 4.319 12.729 1.700 1.00 0.00 H new ATOM 0 HA VAL A 13 6.322 14.629 2.511 1.00 0.00 H new ATOM 0 HB VAL A 13 6.278 12.818 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.727 12.905 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.026 14.522 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.556 14.019 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.445 11.152 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.214 12.190 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.804 11.485 2.062 1.00 0.00 H new ATOM 195 N ALA A 14 6.517 16.193 0.449 1.00 0.00 N ATOM 196 CA ALA A 14 6.385 17.292 -0.500 1.00 0.00 C ATOM 197 C ALA A 14 6.108 16.772 -1.906 1.00 0.00 C ATOM 198 O ALA A 14 6.384 15.614 -2.212 1.00 0.00 O ATOM 199 CB ALA A 14 7.640 18.151 -0.491 1.00 0.00 C ATOM 0 H ALA A 14 7.403 16.176 0.954 1.00 0.00 H new ATOM 0 HA ALA A 14 5.537 17.904 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.527 18.967 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.794 18.560 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.500 17.542 -0.770 1.00 0.00 H new ATOM 205 N GLU A 15 5.565 17.636 -2.757 1.00 0.00 N ATOM 206 CA GLU A 15 5.247 17.259 -4.130 1.00 0.00 C ATOM 207 C GLU A 15 6.509 17.161 -4.982 1.00 0.00 C ATOM 208 O GLU A 15 6.574 16.367 -5.922 1.00 0.00 O ATOM 209 CB GLU A 15 4.278 18.271 -4.746 1.00 0.00 C ATOM 210 CG GLU A 15 4.800 19.699 -4.734 1.00 0.00 C ATOM 211 CD GLU A 15 3.789 20.693 -5.269 1.00 0.00 C ATOM 212 OE1 GLU A 15 2.981 21.207 -4.467 1.00 0.00 O ATOM 213 OE2 GLU A 15 3.804 20.958 -6.489 1.00 0.00 O ATOM 0 H GLU A 15 5.336 18.601 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 15 4.774 16.277 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.066 17.979 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.333 18.234 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.071 19.975 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.710 19.754 -5.332 1.00 0.00 H new ATOM 220 N ALA A 16 7.509 17.970 -4.651 1.00 0.00 N ATOM 221 CA ALA A 16 8.766 17.974 -5.391 1.00 0.00 C ATOM 222 C ALA A 16 9.795 17.053 -4.744 1.00 0.00 C ATOM 223 O ALA A 16 10.919 16.928 -5.231 1.00 0.00 O ATOM 224 CB ALA A 16 9.314 19.389 -5.493 1.00 0.00 C ATOM 0 H ALA A 16 7.474 18.631 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 16 8.565 17.598 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.252 19.377 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.594 20.022 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.489 19.784 -4.492 1.00 0.00 H new ATOM 230 N GLN A 17 9.406 16.409 -3.648 1.00 0.00 N ATOM 231 CA GLN A 17 10.299 15.502 -2.934 1.00 0.00 C ATOM 232 C GLN A 17 9.731 14.087 -2.900 1.00 0.00 C ATOM 233 O GLN A 17 10.456 13.121 -2.664 1.00 0.00 O ATOM 234 CB GLN A 17 10.529 16.000 -1.505 1.00 0.00 C ATOM 235 CG GLN A 17 11.175 17.372 -1.435 1.00 0.00 C ATOM 236 CD GLN A 17 12.586 17.380 -1.986 1.00 0.00 C ATOM 237 OE1 GLN A 17 13.556 17.208 -1.248 1.00 0.00 O ATOM 238 NE2 GLN A 17 12.706 17.569 -3.294 1.00 0.00 N ATOM 0 H GLN A 17 8.478 16.498 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 17 11.250 15.480 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.573 16.031 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.159 15.284 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.567 18.085 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.192 17.709 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.874 17.708 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.630 17.576 -3.726 1.00 0.00 H new ATOM 247 N ARG A 18 8.429 13.973 -3.140 1.00 0.00 N ATOM 248 CA ARG A 18 7.761 12.677 -3.129 1.00 0.00 C ATOM 249 C ARG A 18 8.235 11.799 -4.284 1.00 0.00 C ATOM 250 O ARG A 18 8.225 10.573 -4.182 1.00 0.00 O ATOM 251 CB ARG A 18 6.242 12.857 -3.192 1.00 0.00 C ATOM 252 CG ARG A 18 5.758 13.548 -4.455 1.00 0.00 C ATOM 253 CD ARG A 18 4.249 13.740 -4.438 1.00 0.00 C ATOM 254 NE ARG A 18 3.533 12.470 -4.426 1.00 0.00 N ATOM 255 CZ ARG A 18 2.236 12.352 -4.698 1.00 0.00 C ATOM 256 NH1 ARG A 18 1.519 13.427 -4.997 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.657 11.159 -4.672 1.00 0.00 N ATOM 0 H ARG A 18 7.816 14.762 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 18 8.020 12.177 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.766 11.879 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.918 13.434 -2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.249 14.516 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.042 12.958 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.968 14.322 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.948 14.317 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 18 4.056 11.625 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.962 14.346 -5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.525 13.335 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.206 10.330 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.663 11.070 -4.881 1.00 0.00 H new ATOM 271 N LEU A 19 8.654 12.426 -5.380 1.00 0.00 N ATOM 272 CA LEU A 19 9.126 11.679 -6.541 1.00 0.00 C ATOM 273 C LEU A 19 10.541 11.161 -6.310 1.00 0.00 C ATOM 274 O LEU A 19 10.978 10.206 -6.952 1.00 0.00 O ATOM 275 CB LEU A 19 9.082 12.544 -7.804 1.00 0.00 C ATOM 276 CG LEU A 19 10.240 13.533 -7.971 1.00 0.00 C ATOM 277 CD1 LEU A 19 10.144 14.240 -9.314 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.252 14.542 -6.835 1.00 0.00 C ATOM 0 H LEU A 19 8.676 13.440 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 19 8.461 10.827 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.062 11.886 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.147 13.104 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 19 11.176 12.975 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.974 14.939 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.188 13.504 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.201 14.784 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.082 15.235 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.313 15.096 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.369 14.020 -5.886 1.00 0.00 H new ATOM 290 N ASP A 20 11.250 11.801 -5.387 1.00 0.00 N ATOM 291 CA ASP A 20 12.612 11.404 -5.058 1.00 0.00 C ATOM 292 C ASP A 20 12.610 10.490 -3.842 1.00 0.00 C ATOM 293 O ASP A 20 13.596 9.810 -3.559 1.00 0.00 O ATOM 294 CB ASP A 20 13.477 12.633 -4.780 1.00 0.00 C ATOM 295 CG ASP A 20 14.935 12.279 -4.566 1.00 0.00 C ATOM 296 OD1 ASP A 20 15.668 12.150 -5.569 1.00 0.00 O ATOM 297 OD2 ASP A 20 15.344 12.127 -3.395 1.00 0.00 O ATOM 0 H ASP A 20 10.903 12.598 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 20 13.030 10.867 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.394 13.328 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.098 13.148 -3.897 1.00 0.00 H new ATOM 302 N PHE A 21 11.488 10.478 -3.129 1.00 0.00 N ATOM 303 CA PHE A 21 11.346 9.650 -1.940 1.00 0.00 C ATOM 304 C PHE A 21 11.384 8.175 -2.311 1.00 0.00 C ATOM 305 O PHE A 21 11.945 7.357 -1.582 1.00 0.00 O ATOM 306 CB PHE A 21 10.037 9.972 -1.222 1.00 0.00 C ATOM 307 CG PHE A 21 10.042 9.598 0.231 1.00 0.00 C ATOM 308 CD1 PHE A 21 10.616 10.436 1.173 1.00 0.00 C ATOM 309 CD2 PHE A 21 9.474 8.408 0.655 1.00 0.00 C ATOM 310 CE1 PHE A 21 10.624 10.094 2.511 1.00 0.00 C ATOM 311 CE2 PHE A 21 9.478 8.061 1.992 1.00 0.00 C ATOM 312 CZ PHE A 21 10.054 8.906 2.922 1.00 0.00 C ATOM 0 H PHE A 21 10.663 11.034 -3.356 1.00 0.00 H new ATOM 0 HA PHE A 21 12.179 9.865 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.835 11.039 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.221 9.449 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.062 11.367 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.023 7.744 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.076 10.756 3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.032 7.131 2.310 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.058 8.637 3.968 1.00 0.00 H new ATOM 322 N LEU A 22 10.775 7.836 -3.444 1.00 0.00 N ATOM 323 CA LEU A 22 10.761 6.456 -3.906 1.00 0.00 C ATOM 324 C LEU A 22 12.188 5.961 -4.133 1.00 0.00 C ATOM 325 O LEU A 22 12.596 4.967 -3.538 1.00 0.00 O ATOM 326 CB LEU A 22 9.925 6.307 -5.182 1.00 0.00 C ATOM 327 CG LEU A 22 8.512 5.758 -4.967 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.573 4.377 -4.329 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.690 6.710 -4.110 1.00 0.00 C ATOM 0 H LEU A 22 10.289 8.494 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 22 10.297 5.843 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.851 7.281 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.454 5.648 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 22 8.024 5.669 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.561 3.999 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.123 3.699 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.079 4.443 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.689 6.301 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.171 6.834 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.620 7.678 -4.606 1.00 0.00 H new ATOM 341 N PRO A 23 12.977 6.649 -4.987 1.00 0.00 N ATOM 342 CA PRO A 23 14.364 6.257 -5.241 1.00 0.00 C ATOM 343 C PRO A 23 15.211 6.401 -3.984 1.00 0.00 C ATOM 344 O PRO A 23 16.290 5.818 -3.872 1.00 0.00 O ATOM 345 CB PRO A 23 14.832 7.234 -6.325 1.00 0.00 C ATOM 346 CG PRO A 23 13.911 8.400 -6.217 1.00 0.00 C ATOM 347 CD PRO A 23 12.592 7.845 -5.759 1.00 0.00 C ATOM 0 HA PRO A 23 14.454 5.214 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.868 7.533 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.780 6.780 -7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.293 9.134 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.809 8.907 -7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.045 8.561 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.948 7.590 -6.601 1.00 0.00 H new ATOM 355 N THR A 24 14.703 7.188 -3.040 1.00 0.00 N ATOM 356 CA THR A 24 15.388 7.415 -1.776 1.00 0.00 C ATOM 357 C THR A 24 15.477 6.118 -0.986 1.00 0.00 C ATOM 358 O THR A 24 16.556 5.713 -0.552 1.00 0.00 O ATOM 359 CB THR A 24 14.670 8.487 -0.931 1.00 0.00 C ATOM 360 OG1 THR A 24 14.967 9.793 -1.439 1.00 0.00 O ATOM 361 CG2 THR A 24 15.080 8.403 0.529 1.00 0.00 C ATOM 0 H THR A 24 13.814 7.681 -3.130 1.00 0.00 H new ATOM 0 HA THR A 24 16.392 7.774 -2.003 1.00 0.00 H new ATOM 0 HB THR A 24 13.598 8.303 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.488 9.933 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.557 9.171 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.822 7.420 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.156 8.557 0.614 1.00 0.00 H new ATOM 369 N TYR A 25 14.332 5.472 -0.803 1.00 0.00 N ATOM 370 CA TYR A 25 14.277 4.211 -0.079 1.00 0.00 C ATOM 371 C TYR A 25 14.124 3.049 -1.053 1.00 0.00 C ATOM 372 O TYR A 25 15.037 2.238 -1.216 1.00 0.00 O ATOM 373 CB TYR A 25 13.116 4.217 0.918 1.00 0.00 C ATOM 374 CG TYR A 25 13.086 3.004 1.820 1.00 0.00 C ATOM 375 CD1 TYR A 25 13.932 2.912 2.918 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.210 1.954 1.575 1.00 0.00 C ATOM 377 CE1 TYR A 25 13.907 1.807 3.747 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.179 0.845 2.401 1.00 0.00 C ATOM 379 CZ TYR A 25 13.028 0.776 3.484 1.00 0.00 C ATOM 380 OH TYR A 25 13.000 -0.326 4.308 1.00 0.00 O ATOM 0 H TYR A 25 13.430 5.802 -1.146 1.00 0.00 H new ATOM 0 HA TYR A 25 15.209 4.088 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.181 5.115 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.176 4.274 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.621 3.717 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.543 2.004 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.572 1.750 4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.492 0.037 2.198 1.00 0.00 H new ATOM 0 HH TYR A 25 12.249 -0.248 4.933 1.00 0.00 H new ATOM 390 N PHE A 26 12.960 2.975 -1.691 1.00 0.00 N ATOM 391 CA PHE A 26 12.676 1.919 -2.660 1.00 0.00 C ATOM 392 C PHE A 26 13.838 1.740 -3.627 1.00 0.00 C ATOM 393 O PHE A 26 14.311 0.627 -3.851 1.00 0.00 O ATOM 394 CB PHE A 26 11.400 2.242 -3.443 1.00 0.00 C ATOM 395 CG PHE A 26 10.164 1.587 -2.894 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.771 1.800 -1.583 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.394 0.759 -3.696 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.632 1.198 -1.081 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.255 0.155 -3.199 1.00 0.00 C ATOM 400 CZ PHE A 26 7.873 0.376 -1.889 1.00 0.00 C ATOM 0 H PHE A 26 12.195 3.636 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 26 12.534 0.989 -2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.254 3.322 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.533 1.932 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.360 2.443 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.688 0.584 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.336 1.371 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.664 -0.489 -3.833 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.982 -0.094 -1.499 1.00 0.00 H new ATOM 410 N GLY A 27 14.297 2.847 -4.188 1.00 0.00 N ATOM 411 CA GLY A 27 15.397 2.798 -5.131 1.00 0.00 C ATOM 412 C GLY A 27 14.992 3.280 -6.509 1.00 0.00 C ATOM 413 O GLY A 27 13.817 3.212 -6.868 1.00 0.00 O ATOM 0 H GLY A 27 13.928 3.781 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.218 3.411 -4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.769 1.776 -5.200 1.00 0.00 H new ATOM 417 N PRO A 28 15.949 3.775 -7.310 1.00 0.00 N ATOM 418 CA PRO A 28 15.664 4.267 -8.659 1.00 0.00 C ATOM 419 C PRO A 28 15.126 3.166 -9.563 1.00 0.00 C ATOM 420 O PRO A 28 14.695 3.427 -10.686 1.00 0.00 O ATOM 421 CB PRO A 28 17.022 4.769 -9.164 1.00 0.00 C ATOM 422 CG PRO A 28 18.032 4.082 -8.309 1.00 0.00 C ATOM 423 CD PRO A 28 17.378 3.889 -6.970 1.00 0.00 C ATOM 0 HA PRO A 28 14.896 5.040 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.166 4.526 -10.217 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.100 5.852 -9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.324 3.125 -8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.938 4.681 -8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.745 2.994 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.568 4.730 -6.303 1.00 0.00 H new ATOM 431 N ARG A 29 15.163 1.934 -9.068 1.00 0.00 N ATOM 432 CA ARG A 29 14.664 0.797 -9.826 1.00 0.00 C ATOM 433 C ARG A 29 13.266 0.401 -9.367 1.00 0.00 C ATOM 434 O ARG A 29 12.370 0.206 -10.189 1.00 0.00 O ATOM 435 CB ARG A 29 15.609 -0.400 -9.695 1.00 0.00 C ATOM 436 CG ARG A 29 15.063 -1.676 -10.323 1.00 0.00 C ATOM 437 CD ARG A 29 14.703 -1.473 -11.788 1.00 0.00 C ATOM 438 NE ARG A 29 13.947 -2.600 -12.330 1.00 0.00 N ATOM 439 CZ ARG A 29 14.197 -3.160 -13.510 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.180 -2.699 -14.273 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.462 -4.181 -13.929 1.00 0.00 N ATOM 0 H ARG A 29 15.533 1.699 -8.147 1.00 0.00 H new ATOM 0 HA ARG A 29 14.615 1.097 -10.873 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.562 -0.153 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.809 -0.581 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.805 -2.470 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.180 -2.003 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.117 -0.560 -11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.615 -1.336 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 29 13.183 -2.979 -11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.747 -1.913 -13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.369 -3.131 -15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.704 -4.537 -13.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.654 -4.610 -14.834 1.00 0.00 H new ATOM 455 N LEU A 30 13.076 0.277 -8.054 1.00 0.00 N ATOM 456 CA LEU A 30 11.785 -0.118 -7.500 1.00 0.00 C ATOM 457 C LEU A 30 10.698 0.894 -7.819 1.00 0.00 C ATOM 458 O LEU A 30 9.547 0.527 -8.024 1.00 0.00 O ATOM 459 CB LEU A 30 11.895 -0.289 -5.982 1.00 0.00 C ATOM 460 CG LEU A 30 12.686 -1.516 -5.512 1.00 0.00 C ATOM 461 CD1 LEU A 30 12.528 -1.703 -4.011 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.235 -2.766 -6.253 1.00 0.00 C ATOM 0 H LEU A 30 13.800 0.445 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 30 11.508 -1.066 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.362 0.604 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.889 -0.346 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 30 13.740 -1.350 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.095 -2.578 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.901 -0.820 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.474 -1.846 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.810 -3.624 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.175 -2.938 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.396 -2.633 -7.323 1.00 0.00 H new ATOM 474 N MET A 31 11.065 2.167 -7.837 1.00 0.00 N ATOM 475 CA MET A 31 10.119 3.242 -8.118 1.00 0.00 C ATOM 476 C MET A 31 9.110 2.882 -9.209 1.00 0.00 C ATOM 477 O MET A 31 7.989 3.386 -9.207 1.00 0.00 O ATOM 478 CB MET A 31 10.877 4.506 -8.514 1.00 0.00 C ATOM 479 CG MET A 31 12.121 4.220 -9.335 1.00 0.00 C ATOM 480 SD MET A 31 12.571 5.589 -10.419 1.00 0.00 S ATOM 481 CE MET A 31 11.070 5.772 -11.378 1.00 0.00 C ATOM 0 H MET A 31 12.018 2.484 -7.659 1.00 0.00 H new ATOM 0 HA MET A 31 9.551 3.411 -7.203 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.214 5.157 -9.084 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.160 5.050 -7.613 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.953 4.005 -8.664 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.957 3.325 -9.936 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.316 6.146 -12.372 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.575 4.805 -11.467 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.404 6.477 -10.880 1.00 0.00 H new ATOM 491 N MET A 32 9.500 2.028 -10.147 1.00 0.00 N ATOM 492 CA MET A 32 8.600 1.635 -11.225 1.00 0.00 C ATOM 493 C MET A 32 8.029 0.236 -11.003 1.00 0.00 C ATOM 494 O MET A 32 6.845 -0.003 -11.239 1.00 0.00 O ATOM 495 CB MET A 32 9.326 1.690 -12.570 1.00 0.00 C ATOM 496 CG MET A 32 10.393 0.620 -12.724 1.00 0.00 C ATOM 497 SD MET A 32 11.111 0.582 -14.376 1.00 0.00 S ATOM 498 CE MET A 32 9.674 0.165 -15.361 1.00 0.00 C ATOM 0 H MET A 32 10.424 1.598 -10.184 1.00 0.00 H new ATOM 0 HA MET A 32 7.770 2.341 -11.231 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.596 1.583 -13.373 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.786 2.671 -12.686 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.183 0.794 -11.993 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.959 -0.354 -12.499 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.995 -0.272 -16.307 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.058 -0.554 -14.820 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.093 1.066 -15.556 1.00 0.00 H new ATOM 508 N ARG A 33 8.874 -0.687 -10.551 1.00 0.00 N ATOM 509 CA ARG A 33 8.441 -2.062 -10.319 1.00 0.00 C ATOM 510 C ARG A 33 7.745 -2.208 -8.969 1.00 0.00 C ATOM 511 O ARG A 33 7.299 -3.298 -8.611 1.00 0.00 O ATOM 512 CB ARG A 33 9.631 -3.022 -10.403 1.00 0.00 C ATOM 513 CG ARG A 33 10.727 -2.728 -9.394 1.00 0.00 C ATOM 514 CD ARG A 33 11.880 -3.711 -9.522 1.00 0.00 C ATOM 515 NE ARG A 33 11.496 -5.064 -9.131 1.00 0.00 N ATOM 516 CZ ARG A 33 12.326 -6.103 -9.156 1.00 0.00 C ATOM 517 NH1 ARG A 33 13.580 -5.945 -9.557 1.00 0.00 N ATOM 518 NH2 ARG A 33 11.902 -7.301 -8.779 1.00 0.00 N ATOM 0 H ARG A 33 9.856 -0.510 -10.339 1.00 0.00 H new ATOM 0 HA ARG A 33 7.723 -2.317 -11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.275 -4.041 -10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.053 -2.977 -11.407 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.095 -1.713 -9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.317 -2.776 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.236 -3.719 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.711 -3.377 -8.901 1.00 0.00 H new ATOM 0 HE ARG A 33 10.537 -5.221 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.910 -5.025 -9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.214 -6.744 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.938 -7.427 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.539 -8.097 -8.799 1.00 0.00 H new ATOM 532 N GLY A 34 7.650 -1.110 -8.222 1.00 0.00 N ATOM 533 CA GLY A 34 7.000 -1.152 -6.926 1.00 0.00 C ATOM 534 C GLY A 34 5.684 -0.407 -6.927 1.00 0.00 C ATOM 535 O GLY A 34 4.664 -0.935 -6.484 1.00 0.00 O ATOM 0 H GLY A 34 8.011 -0.195 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.829 -2.190 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.661 -0.719 -6.175 1.00 0.00 H new ATOM 539 N GLU A 35 5.703 0.824 -7.428 1.00 0.00 N ATOM 540 CA GLU A 35 4.495 1.632 -7.493 1.00 0.00 C ATOM 541 C GLU A 35 3.481 0.966 -8.411 1.00 0.00 C ATOM 542 O GLU A 35 2.272 1.074 -8.204 1.00 0.00 O ATOM 543 CB GLU A 35 4.812 3.042 -7.993 1.00 0.00 C ATOM 544 CG GLU A 35 5.958 3.709 -7.252 1.00 0.00 C ATOM 545 CD GLU A 35 5.757 3.731 -5.751 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.996 2.689 -5.104 1.00 0.00 O ATOM 547 OE2 GLU A 35 5.369 4.791 -5.219 1.00 0.00 O ATOM 0 H GLU A 35 6.539 1.281 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 35 4.075 1.713 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.055 2.995 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.920 3.661 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.886 3.185 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.071 4.731 -7.613 1.00 0.00 H new ATOM 554 N ALA A 36 3.987 0.275 -9.429 1.00 0.00 N ATOM 555 CA ALA A 36 3.125 -0.423 -10.373 1.00 0.00 C ATOM 556 C ALA A 36 2.487 -1.649 -9.724 1.00 0.00 C ATOM 557 O ALA A 36 1.431 -2.112 -10.155 1.00 0.00 O ATOM 558 CB ALA A 36 3.913 -0.826 -11.610 1.00 0.00 C ATOM 0 H ALA A 36 4.985 0.185 -9.619 1.00 0.00 H new ATOM 0 HA ALA A 36 2.327 0.256 -10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.256 -1.347 -12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.318 0.065 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.731 -1.486 -11.321 1.00 0.00 H new ATOM 564 N LEU A 37 3.138 -2.172 -8.687 1.00 0.00 N ATOM 565 CA LEU A 37 2.638 -3.345 -7.975 1.00 0.00 C ATOM 566 C LEU A 37 1.521 -2.980 -7.000 1.00 0.00 C ATOM 567 O LEU A 37 0.581 -3.750 -6.807 1.00 0.00 O ATOM 568 CB LEU A 37 3.773 -4.021 -7.205 1.00 0.00 C ATOM 569 CG LEU A 37 4.030 -5.483 -7.570 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.943 -5.577 -8.783 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.626 -6.227 -6.387 1.00 0.00 C ATOM 0 H LEU A 37 4.015 -1.801 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 37 2.235 -4.029 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.690 -3.456 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.552 -3.963 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 37 3.079 -5.950 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.115 -6.625 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.474 -5.078 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.895 -5.096 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.803 -7.267 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.569 -5.761 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.934 -6.188 -5.546 1.00 0.00 H new ATOM 583 N VAL A 38 1.627 -1.804 -6.391 1.00 0.00 N ATOM 584 CA VAL A 38 0.623 -1.365 -5.425 1.00 0.00 C ATOM 585 C VAL A 38 -0.678 -0.983 -6.121 1.00 0.00 C ATOM 586 O VAL A 38 -1.766 -1.274 -5.625 1.00 0.00 O ATOM 587 CB VAL A 38 1.117 -0.183 -4.563 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.557 -0.410 -4.131 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.979 1.137 -5.305 1.00 0.00 C ATOM 0 H VAL A 38 2.388 -1.143 -6.546 1.00 0.00 H new ATOM 0 HA VAL A 38 0.441 -2.212 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 38 0.490 -0.128 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.892 0.431 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.621 -1.328 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.192 -0.497 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.335 1.949 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.571 1.104 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.068 1.305 -5.556 1.00 0.00 H new ATOM 599 N TYR A 39 -0.561 -0.330 -7.274 1.00 0.00 N ATOM 600 CA TYR A 39 -1.732 0.080 -8.036 1.00 0.00 C ATOM 601 C TYR A 39 -2.333 -1.113 -8.775 1.00 0.00 C ATOM 602 O TYR A 39 -3.523 -1.125 -9.084 1.00 0.00 O ATOM 603 CB TYR A 39 -1.361 1.199 -9.020 1.00 0.00 C ATOM 604 CG TYR A 39 -1.412 0.796 -10.480 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.317 0.208 -11.097 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.558 1.008 -11.238 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.361 -0.159 -12.430 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.608 0.645 -12.570 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.508 0.061 -13.161 1.00 0.00 C ATOM 610 OH TYR A 39 -1.556 -0.303 -14.487 1.00 0.00 O ATOM 0 H TYR A 39 0.331 -0.075 -7.698 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.482 0.464 -7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.036 2.040 -8.865 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.356 1.550 -8.788 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.584 0.034 -10.527 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.423 1.464 -10.778 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.500 -0.616 -12.896 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.505 0.818 -13.146 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.436 -0.080 -14.856 1.00 0.00 H new ATOM 620 N ALA A 40 -1.500 -2.114 -9.051 1.00 0.00 N ATOM 621 CA ALA A 40 -1.948 -3.313 -9.751 1.00 0.00 C ATOM 622 C ALA A 40 -3.031 -4.037 -8.959 1.00 0.00 C ATOM 623 O ALA A 40 -3.989 -4.555 -9.532 1.00 0.00 O ATOM 624 CB ALA A 40 -0.772 -4.243 -10.014 1.00 0.00 C ATOM 0 H ALA A 40 -0.511 -2.117 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.375 -3.008 -10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.122 -5.133 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.032 -3.729 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.319 -4.534 -9.066 1.00 0.00 H new ATOM 630 N TRP A 41 -2.872 -4.070 -7.641 1.00 0.00 N ATOM 631 CA TRP A 41 -3.842 -4.725 -6.770 1.00 0.00 C ATOM 632 C TRP A 41 -5.024 -3.802 -6.501 1.00 0.00 C ATOM 633 O TRP A 41 -6.154 -4.257 -6.318 1.00 0.00 O ATOM 634 CB TRP A 41 -3.184 -5.125 -5.446 1.00 0.00 C ATOM 635 CG TRP A 41 -2.183 -6.230 -5.583 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.824 -6.106 -5.641 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.463 -7.633 -5.678 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.242 -7.342 -5.763 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.227 -8.296 -5.789 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.637 -8.390 -5.678 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.133 -9.682 -5.900 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.543 -9.765 -5.789 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.298 -10.399 -5.897 1.00 0.00 C ATOM 0 H TRP A 41 -2.081 -3.651 -7.152 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.202 -5.623 -7.272 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.692 -4.252 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.959 -5.433 -4.744 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.286 -5.171 -5.597 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.760 -7.522 -5.824 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.601 -7.910 -5.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.175 -10.173 -5.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.444 -10.360 -5.793 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.257 -11.475 -5.980 1.00 0.00 H new ATOM 654 N MET A 42 -4.752 -2.502 -6.478 1.00 0.00 N ATOM 655 CA MET A 42 -5.775 -1.501 -6.224 1.00 0.00 C ATOM 656 C MET A 42 -6.777 -1.405 -7.374 1.00 0.00 C ATOM 657 O MET A 42 -7.962 -1.157 -7.152 1.00 0.00 O ATOM 658 CB MET A 42 -5.112 -0.144 -5.998 1.00 0.00 C ATOM 659 CG MET A 42 -6.052 0.900 -5.434 1.00 0.00 C ATOM 660 SD MET A 42 -6.826 0.371 -3.898 1.00 0.00 S ATOM 661 CE MET A 42 -7.990 1.703 -3.654 1.00 0.00 C ATOM 0 H MET A 42 -3.821 -2.116 -6.634 1.00 0.00 H new ATOM 0 HA MET A 42 -6.326 -1.801 -5.333 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.270 -0.269 -5.318 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.707 0.216 -6.944 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.501 1.824 -5.260 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.825 1.123 -6.169 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.757 2.224 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.924 2.401 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.000 1.298 -3.599 1.00 0.00 H new ATOM 671 N ARG A 43 -6.300 -1.604 -8.599 1.00 0.00 N ATOM 672 CA ARG A 43 -7.161 -1.524 -9.776 1.00 0.00 C ATOM 673 C ARG A 43 -7.967 -2.807 -9.958 1.00 0.00 C ATOM 674 O ARG A 43 -8.954 -2.830 -10.693 1.00 0.00 O ATOM 675 CB ARG A 43 -6.330 -1.234 -11.030 1.00 0.00 C ATOM 676 CG ARG A 43 -5.190 -2.215 -11.260 1.00 0.00 C ATOM 677 CD ARG A 43 -5.657 -3.463 -11.991 1.00 0.00 C ATOM 678 NE ARG A 43 -4.566 -4.411 -12.202 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.594 -5.378 -13.114 1.00 0.00 C ATOM 680 NH1 ARG A 43 -5.651 -5.522 -13.901 1.00 0.00 N ATOM 681 NH2 ARG A 43 -3.562 -6.201 -13.240 1.00 0.00 N ATOM 0 H ARG A 43 -5.325 -1.821 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.862 -0.704 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.987 -1.247 -11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.919 -0.227 -10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.403 -1.729 -11.837 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.754 -2.497 -10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.450 -3.944 -11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.085 -3.181 -12.953 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.735 -4.326 -11.616 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.446 -4.890 -13.808 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.669 -6.265 -14.600 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.746 -6.092 -12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.584 -6.943 -13.940 1.00 0.00 H new ATOM 695 N ARG A 44 -7.540 -3.870 -9.287 1.00 0.00 N ATOM 696 CA ARG A 44 -8.230 -5.152 -9.371 1.00 0.00 C ATOM 697 C ARG A 44 -9.466 -5.156 -8.476 1.00 0.00 C ATOM 698 O ARG A 44 -10.573 -5.447 -8.929 1.00 0.00 O ATOM 699 CB ARG A 44 -7.288 -6.290 -8.972 1.00 0.00 C ATOM 700 CG ARG A 44 -6.200 -6.570 -9.997 1.00 0.00 C ATOM 701 CD ARG A 44 -5.321 -7.734 -9.570 1.00 0.00 C ATOM 702 NE ARG A 44 -4.163 -7.898 -10.445 1.00 0.00 N ATOM 703 CZ ARG A 44 -3.210 -8.803 -10.245 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.281 -9.630 -9.209 1.00 0.00 N ATOM 705 NH2 ARG A 44 -2.183 -8.884 -11.081 1.00 0.00 N ATOM 0 H ARG A 44 -6.721 -3.870 -8.680 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.548 -5.303 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.822 -6.046 -8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.873 -7.197 -8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.656 -6.791 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.587 -5.679 -10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.982 -7.575 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.909 -8.652 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.081 -7.284 -11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.069 -9.572 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.548 -10.323 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.124 -8.251 -11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.453 -9.579 -10.926 1.00 0.00 H new ATOM 719 N LEU A 45 -9.257 -4.840 -7.200 1.00 0.00 N ATOM 720 CA LEU A 45 -10.339 -4.793 -6.219 1.00 0.00 C ATOM 721 C LEU A 45 -11.573 -4.065 -6.751 1.00 0.00 C ATOM 722 O LEU A 45 -12.684 -4.289 -6.270 1.00 0.00 O ATOM 723 CB LEU A 45 -9.866 -4.108 -4.941 1.00 0.00 C ATOM 724 CG LEU A 45 -8.561 -4.649 -4.352 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.154 -3.841 -3.129 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.701 -6.122 -3.999 1.00 0.00 C ATOM 0 H LEU A 45 -8.339 -4.611 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.620 -5.825 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.740 -3.044 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.650 -4.198 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.778 -4.552 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.224 -4.239 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.009 -2.799 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.937 -3.905 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.762 -6.487 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.497 -6.246 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.944 -6.690 -4.897 1.00 0.00 H new ATOM 738 N CYS A 46 -11.383 -3.201 -7.741 1.00 0.00 N ATOM 739 CA CYS A 46 -12.492 -2.454 -8.324 1.00 0.00 C ATOM 740 C CYS A 46 -12.599 -2.731 -9.820 1.00 0.00 C ATOM 741 O CYS A 46 -11.591 -2.786 -10.524 1.00 0.00 O ATOM 742 CB CYS A 46 -12.315 -0.953 -8.087 1.00 0.00 C ATOM 743 SG CYS A 46 -13.611 0.070 -8.823 1.00 0.00 S ATOM 0 H CYS A 46 -10.473 -3.000 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.411 -2.782 -7.838 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.286 -0.767 -7.013 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.351 -0.644 -8.490 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.697 -0.633 -8.954 1.00 0.00 H new ATOM 749 N GLU A 47 -13.825 -2.904 -10.298 1.00 0.00 N ATOM 750 CA GLU A 47 -14.064 -3.172 -11.711 1.00 0.00 C ATOM 751 C GLU A 47 -14.011 -1.876 -12.506 1.00 0.00 C ATOM 752 O GLU A 47 -13.702 -1.871 -13.697 1.00 0.00 O ATOM 753 CB GLU A 47 -15.424 -3.845 -11.904 1.00 0.00 C ATOM 754 CG GLU A 47 -16.595 -2.946 -11.551 1.00 0.00 C ATOM 755 CD GLU A 47 -16.778 -2.779 -10.055 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.282 -3.722 -9.410 1.00 0.00 O ATOM 757 OE2 GLU A 47 -16.418 -1.705 -9.528 1.00 0.00 O ATOM 0 H GLU A 47 -14.670 -2.864 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.285 -3.844 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.520 -4.164 -12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.467 -4.744 -11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.445 -1.967 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -17.507 -3.360 -11.980 1.00 0.00 H new ATOM 764 N ARG A 48 -14.317 -0.776 -11.828 1.00 0.00 N ATOM 765 CA ARG A 48 -14.305 0.541 -12.446 1.00 0.00 C ATOM 766 C ARG A 48 -13.180 1.380 -11.852 1.00 0.00 C ATOM 767 O ARG A 48 -13.402 2.491 -11.370 1.00 0.00 O ATOM 768 CB ARG A 48 -15.653 1.234 -12.239 1.00 0.00 C ATOM 769 CG ARG A 48 -16.837 0.402 -12.703 1.00 0.00 C ATOM 770 CD ARG A 48 -18.160 1.073 -12.371 1.00 0.00 C ATOM 771 NE ARG A 48 -19.294 0.181 -12.596 1.00 0.00 N ATOM 772 CZ ARG A 48 -20.564 0.575 -12.557 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.861 1.845 -12.314 1.00 0.00 N ATOM 774 NH2 ARG A 48 -21.537 -0.301 -12.764 1.00 0.00 N ATOM 0 H ARG A 48 -14.578 -0.773 -10.842 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.135 0.430 -13.517 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.775 1.467 -11.181 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.652 2.182 -12.776 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.770 0.242 -13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.799 -0.580 -12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.152 1.395 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.276 1.969 -12.981 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.101 -0.801 -12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.115 2.522 -12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.836 2.144 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.312 -1.278 -12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.511 0.002 -12.734 1.00 0.00 H new ATOM 788 N TYR A 49 -11.970 0.833 -11.896 1.00 0.00 N ATOM 789 CA TYR A 49 -10.799 1.508 -11.359 1.00 0.00 C ATOM 790 C TYR A 49 -9.778 1.787 -12.458 1.00 0.00 C ATOM 791 O TYR A 49 -9.059 0.887 -12.892 1.00 0.00 O ATOM 792 CB TYR A 49 -10.159 0.648 -10.269 1.00 0.00 C ATOM 793 CG TYR A 49 -9.346 1.436 -9.273 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.245 2.179 -9.673 1.00 0.00 C ATOM 795 CD2 TYR A 49 -9.685 1.435 -7.928 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.503 2.902 -8.761 1.00 0.00 C ATOM 797 CE2 TYR A 49 -8.949 2.153 -7.009 1.00 0.00 C ATOM 798 CZ TYR A 49 -7.858 2.886 -7.429 1.00 0.00 C ATOM 799 OH TYR A 49 -7.123 3.607 -6.516 1.00 0.00 O ATOM 0 H TYR A 49 -11.776 -0.083 -12.302 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.118 2.460 -10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.943 0.108 -9.738 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.518 -0.099 -10.738 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.964 2.192 -10.716 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.539 0.863 -7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.649 3.477 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.225 2.142 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.726 4.153 -5.969 1.00 0.00 H new ATOM 809 N ASN A 50 -9.724 3.034 -12.909 1.00 0.00 N ATOM 810 CA ASN A 50 -8.787 3.430 -13.956 1.00 0.00 C ATOM 811 C ASN A 50 -7.462 3.908 -13.364 1.00 0.00 C ATOM 812 O ASN A 50 -6.410 3.776 -13.990 1.00 0.00 O ATOM 813 CB ASN A 50 -9.397 4.534 -14.822 1.00 0.00 C ATOM 814 CG ASN A 50 -10.601 4.055 -15.608 1.00 0.00 C ATOM 815 OD1 ASN A 50 -10.473 3.593 -16.742 1.00 0.00 O ATOM 816 ND2 ASN A 50 -11.781 4.160 -15.008 1.00 0.00 N ATOM 0 H ASN A 50 -10.318 3.790 -12.567 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.588 2.554 -14.574 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.691 5.370 -14.187 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.642 4.909 -15.513 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.626 3.852 -15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.842 4.549 -14.067 1.00 0.00 H new ATOM 823 N GLY A 51 -7.519 4.462 -12.156 1.00 0.00 N ATOM 824 CA GLY A 51 -6.315 4.951 -11.506 1.00 0.00 C ATOM 825 C GLY A 51 -6.604 6.032 -10.482 1.00 0.00 C ATOM 826 O GLY A 51 -7.755 6.428 -10.299 1.00 0.00 O ATOM 0 H GLY A 51 -8.376 4.581 -11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.807 4.120 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.633 5.343 -12.260 1.00 0.00 H new ATOM 830 N ALA A 52 -5.556 6.515 -9.816 1.00 0.00 N ATOM 831 CA ALA A 52 -5.708 7.556 -8.803 1.00 0.00 C ATOM 832 C ALA A 52 -4.354 8.096 -8.353 1.00 0.00 C ATOM 833 O ALA A 52 -3.306 7.567 -8.727 1.00 0.00 O ATOM 834 CB ALA A 52 -6.481 7.017 -7.613 1.00 0.00 C ATOM 0 H ALA A 52 -4.596 6.203 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.265 8.380 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.589 7.801 -6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.468 6.688 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.942 6.174 -7.181 1.00 0.00 H new ATOM 840 N TYR A 53 -4.385 9.155 -7.547 1.00 0.00 N ATOM 841 CA TYR A 53 -3.164 9.772 -7.044 1.00 0.00 C ATOM 842 C TYR A 53 -2.698 9.118 -5.749 1.00 0.00 C ATOM 843 O TYR A 53 -3.091 9.525 -4.656 1.00 0.00 O ATOM 844 CB TYR A 53 -3.379 11.269 -6.827 1.00 0.00 C ATOM 845 CG TYR A 53 -3.210 12.087 -8.084 1.00 0.00 C ATOM 846 CD1 TYR A 53 -2.038 12.013 -8.823 1.00 0.00 C ATOM 847 CD2 TYR A 53 -4.218 12.930 -8.531 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.873 12.759 -9.974 1.00 0.00 C ATOM 849 CE2 TYR A 53 -4.062 13.679 -9.682 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.888 13.589 -10.399 1.00 0.00 C ATOM 851 OH TYR A 53 -2.728 14.334 -11.546 1.00 0.00 O ATOM 0 H TYR A 53 -5.245 9.603 -7.229 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.386 9.625 -7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.381 11.431 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.676 11.624 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.242 11.362 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.138 13.002 -7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.954 12.692 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.855 14.331 -10.018 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.536 14.865 -11.707 1.00 0.00 H new ATOM 861 N TRP A 54 -1.870 8.092 -5.888 1.00 0.00 N ATOM 862 CA TRP A 54 -1.332 7.364 -4.742 1.00 0.00 C ATOM 863 C TRP A 54 -0.342 8.220 -3.951 1.00 0.00 C ATOM 864 O TRP A 54 0.873 8.078 -4.097 1.00 0.00 O ATOM 865 CB TRP A 54 -0.650 6.078 -5.215 1.00 0.00 C ATOM 866 CG TRP A 54 -1.238 5.532 -6.481 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.493 5.023 -6.650 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.596 5.448 -7.758 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.672 4.629 -7.953 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.521 4.877 -8.654 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.671 5.800 -8.233 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.217 4.652 -9.994 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.971 5.575 -9.564 1.00 0.00 C ATOM 874 CH2 TRP A 54 0.030 5.006 -10.431 1.00 0.00 C ATOM 0 H TRP A 54 -1.552 7.741 -6.791 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.162 7.114 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.412 6.272 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.726 5.324 -4.431 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.237 4.942 -5.872 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.523 4.218 -8.337 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.403 6.240 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.941 4.213 -10.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.947 5.842 -9.941 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.294 4.843 -11.466 1.00 0.00 H new ATOM 885 N HIS A 55 -0.878 9.115 -3.126 1.00 0.00 N ATOM 886 CA HIS A 55 -0.057 9.992 -2.299 1.00 0.00 C ATOM 887 C HIS A 55 0.998 9.197 -1.547 1.00 0.00 C ATOM 888 O HIS A 55 0.693 8.191 -0.906 1.00 0.00 O ATOM 889 CB HIS A 55 -0.924 10.761 -1.301 1.00 0.00 C ATOM 890 CG HIS A 55 -1.906 11.688 -1.943 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.634 13.016 -2.195 1.00 0.00 N ATOM 892 CD2 HIS A 55 -3.166 11.473 -2.381 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.688 13.579 -2.760 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.631 12.663 -2.885 1.00 0.00 N ATOM 0 H HIS A 55 -1.882 9.252 -3.013 1.00 0.00 H new ATOM 0 HA HIS A 55 0.440 10.701 -2.961 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.465 10.048 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.276 11.335 -0.638 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.757 13.490 -1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.707 10.539 -2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.765 14.612 -3.067 1.00 0.00 H new ATOM 903 N TYR A 56 2.241 9.652 -1.630 1.00 0.00 N ATOM 904 CA TYR A 56 3.338 8.980 -0.950 1.00 0.00 C ATOM 905 C TYR A 56 3.393 9.399 0.514 1.00 0.00 C ATOM 906 O TYR A 56 3.373 10.588 0.831 1.00 0.00 O ATOM 907 CB TYR A 56 4.666 9.282 -1.649 1.00 0.00 C ATOM 908 CG TYR A 56 4.678 8.897 -3.114 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.023 7.754 -3.560 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.345 9.676 -4.051 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.031 7.403 -4.897 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.358 9.330 -5.389 1.00 0.00 C ATOM 913 CZ TYR A 56 4.699 8.194 -5.806 1.00 0.00 C ATOM 914 OH TYR A 56 4.709 7.847 -7.138 1.00 0.00 O ATOM 0 H TYR A 56 2.513 10.480 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 56 3.166 7.905 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.881 10.347 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.467 8.751 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.500 7.131 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.862 10.567 -3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.516 6.513 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.882 9.947 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 56 5.223 8.510 -7.645 1.00 0.00 H new ATOM 924 N TYR A 57 3.462 8.412 1.399 1.00 0.00 N ATOM 925 CA TYR A 57 3.500 8.677 2.833 1.00 0.00 C ATOM 926 C TYR A 57 4.793 8.181 3.468 1.00 0.00 C ATOM 927 O TYR A 57 5.299 7.110 3.130 1.00 0.00 O ATOM 928 CB TYR A 57 2.300 8.032 3.521 1.00 0.00 C ATOM 929 CG TYR A 57 1.023 8.823 3.362 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.701 9.836 4.255 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.144 8.562 2.319 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.462 10.567 4.115 1.00 0.00 C ATOM 933 CE2 TYR A 57 -1.022 9.290 2.171 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.319 10.292 3.072 1.00 0.00 C ATOM 935 OH TYR A 57 -2.479 11.019 2.930 1.00 0.00 O ATOM 0 H TYR A 57 3.493 7.423 1.151 1.00 0.00 H new ATOM 0 HA TYR A 57 3.458 9.758 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.152 7.031 3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.518 7.916 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.371 10.056 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.375 7.778 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.699 11.350 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.696 9.076 1.355 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.971 10.701 2.144 1.00 0.00 H new ATOM 945 N ALA A 58 5.318 8.977 4.394 1.00 0.00 N ATOM 946 CA ALA A 58 6.549 8.637 5.095 1.00 0.00 C ATOM 947 C ALA A 58 6.258 8.215 6.532 1.00 0.00 C ATOM 948 O ALA A 58 5.982 9.051 7.392 1.00 0.00 O ATOM 949 CB ALA A 58 7.511 9.815 5.076 1.00 0.00 C ATOM 0 H ALA A 58 4.907 9.867 4.677 1.00 0.00 H new ATOM 0 HA ALA A 58 7.013 7.796 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.426 9.546 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.749 10.073 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.048 10.671 5.567 1.00 0.00 H new ATOM 955 N LEU A 59 6.319 6.911 6.782 1.00 0.00 N ATOM 956 CA LEU A 59 6.063 6.373 8.113 1.00 0.00 C ATOM 957 C LEU A 59 7.295 6.503 9.003 1.00 0.00 C ATOM 958 O LEU A 59 8.428 6.476 8.519 1.00 0.00 O ATOM 959 CB LEU A 59 5.628 4.911 8.007 1.00 0.00 C ATOM 960 CG LEU A 59 4.137 4.702 7.740 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.896 3.339 7.111 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.340 4.844 9.028 1.00 0.00 C ATOM 0 H LEU A 59 6.544 6.207 6.079 1.00 0.00 H new ATOM 0 HA LEU A 59 5.260 6.950 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.196 4.435 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.892 4.400 8.933 1.00 0.00 H new ATOM 0 HG LEU A 59 3.801 5.468 7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.830 3.206 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.438 3.273 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.248 2.559 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.281 4.692 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.678 4.100 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.489 5.842 9.440 1.00 0.00 H new ATOM 974 N SER A 60 7.066 6.644 10.306 1.00 0.00 N ATOM 975 CA SER A 60 8.158 6.792 11.265 1.00 0.00 C ATOM 976 C SER A 60 9.005 5.527 11.340 1.00 0.00 C ATOM 977 O SER A 60 10.188 5.582 11.678 1.00 0.00 O ATOM 978 CB SER A 60 7.603 7.130 12.650 1.00 0.00 C ATOM 979 OG SER A 60 6.763 6.095 13.132 1.00 0.00 O ATOM 0 H SER A 60 6.135 6.659 10.722 1.00 0.00 H new ATOM 0 HA SER A 60 8.795 7.608 10.923 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.427 7.287 13.346 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.043 8.064 12.602 1.00 0.00 H new ATOM 0 HG SER A 60 7.034 5.850 14.041 1.00 0.00 H new ATOM 985 N ASP A 61 8.397 4.388 11.024 1.00 0.00 N ATOM 986 CA ASP A 61 9.104 3.112 11.058 1.00 0.00 C ATOM 987 C ASP A 61 10.029 2.965 9.855 1.00 0.00 C ATOM 988 O ASP A 61 11.004 2.215 9.899 1.00 0.00 O ATOM 989 CB ASP A 61 8.111 1.950 11.089 1.00 0.00 C ATOM 990 CG ASP A 61 7.410 1.815 12.425 1.00 0.00 C ATOM 991 OD1 ASP A 61 8.042 2.115 13.460 1.00 0.00 O ATOM 992 OD2 ASP A 61 6.231 1.405 12.438 1.00 0.00 O ATOM 0 H ASP A 61 7.419 4.322 10.742 1.00 0.00 H new ATOM 0 HA ASP A 61 9.708 3.091 11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.367 2.093 10.306 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.637 1.022 10.864 1.00 0.00 H new ATOM 997 N GLY A 62 9.718 3.685 8.784 1.00 0.00 N ATOM 998 CA GLY A 62 10.528 3.616 7.583 1.00 0.00 C ATOM 999 C GLY A 62 9.918 2.710 6.531 1.00 0.00 C ATOM 1000 O GLY A 62 10.547 2.413 5.515 1.00 0.00 O ATOM 0 H GLY A 62 8.919 4.316 8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.649 4.618 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.524 3.254 7.839 1.00 0.00 H new ATOM 1004 N GLY A 63 8.687 2.271 6.777 1.00 0.00 N ATOM 1005 CA GLY A 63 8.007 1.402 5.834 1.00 0.00 C ATOM 1006 C GLY A 63 7.508 2.153 4.618 1.00 0.00 C ATOM 1007 O GLY A 63 7.714 1.720 3.485 1.00 0.00 O ATOM 0 H GLY A 63 8.149 2.502 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.687 0.611 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.166 0.919 6.330 1.00 0.00 H new ATOM 1011 N PHE A 64 6.850 3.285 4.863 1.00 0.00 N ATOM 1012 CA PHE A 64 6.313 4.121 3.793 1.00 0.00 C ATOM 1013 C PHE A 64 5.214 3.392 3.026 1.00 0.00 C ATOM 1014 O PHE A 64 5.389 2.249 2.604 1.00 0.00 O ATOM 1015 CB PHE A 64 7.430 4.544 2.833 1.00 0.00 C ATOM 1016 CG PHE A 64 8.678 5.010 3.532 1.00 0.00 C ATOM 1017 CD1 PHE A 64 8.608 5.921 4.574 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.920 4.535 3.145 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.754 6.349 5.217 1.00 0.00 C ATOM 1020 CE2 PHE A 64 11.070 4.961 3.783 1.00 0.00 C ATOM 1021 CZ PHE A 64 10.986 5.867 4.821 1.00 0.00 C ATOM 0 H PHE A 64 6.676 3.645 5.801 1.00 0.00 H new ATOM 0 HA PHE A 64 5.880 5.011 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.679 3.704 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.062 5.344 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.647 6.301 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.991 3.824 2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.686 7.059 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.033 4.585 3.470 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.883 6.199 5.323 1.00 0.00 H new ATOM 1031 N TYR A 65 4.080 4.062 2.849 1.00 0.00 N ATOM 1032 CA TYR A 65 2.956 3.471 2.131 1.00 0.00 C ATOM 1033 C TYR A 65 2.300 4.484 1.192 1.00 0.00 C ATOM 1034 O TYR A 65 2.423 5.694 1.381 1.00 0.00 O ATOM 1035 CB TYR A 65 1.925 2.915 3.118 1.00 0.00 C ATOM 1036 CG TYR A 65 0.884 3.919 3.559 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.154 4.837 4.565 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.372 3.945 2.967 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.200 5.753 4.969 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.329 4.858 3.363 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.038 5.760 4.364 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.990 6.670 4.763 1.00 0.00 O ATOM 0 H TYR A 65 3.915 5.009 3.190 1.00 0.00 H new ATOM 0 HA TYR A 65 3.341 2.652 1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.421 2.064 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.447 2.539 3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.124 4.836 5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.604 3.239 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.424 6.459 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.300 4.865 2.891 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.806 6.542 4.236 1.00 0.00 H new ATOM 1052 N MET A 66 1.605 3.971 0.181 1.00 0.00 N ATOM 1053 CA MET A 66 0.921 4.813 -0.799 1.00 0.00 C ATOM 1054 C MET A 66 -0.589 4.711 -0.634 1.00 0.00 C ATOM 1055 O MET A 66 -1.118 3.645 -0.317 1.00 0.00 O ATOM 1056 CB MET A 66 1.307 4.387 -2.215 1.00 0.00 C ATOM 1057 CG MET A 66 2.808 4.295 -2.439 1.00 0.00 C ATOM 1058 SD MET A 66 3.232 3.252 -3.847 1.00 0.00 S ATOM 1059 CE MET A 66 2.388 4.106 -5.178 1.00 0.00 C ATOM 0 H MET A 66 1.500 2.970 0.017 1.00 0.00 H new ATOM 0 HA MET A 66 1.225 5.846 -0.633 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.857 3.417 -2.428 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.886 5.098 -2.926 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.211 5.295 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.283 3.899 -1.541 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.837 3.827 -6.131 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.334 3.828 -5.178 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.479 5.183 -5.035 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.280 5.824 -0.847 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.731 5.849 -0.729 1.00 0.00 C ATOM 1071 C ALA A 67 -3.363 6.657 -1.859 1.00 0.00 C ATOM 1072 O ALA A 67 -3.188 7.874 -1.933 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.146 6.412 0.622 1.00 0.00 C ATOM 0 H ALA A 67 -0.860 6.718 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.091 4.823 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.234 6.423 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.737 5.789 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.765 7.428 0.725 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.105 5.987 -2.759 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.766 6.648 -3.888 1.00 0.00 C ATOM 1081 C PRO A 68 -5.647 7.807 -3.440 1.00 0.00 C ATOM 1082 O PRO A 68 -5.958 7.940 -2.256 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.615 5.536 -4.511 1.00 0.00 C ATOM 1084 CG PRO A 68 -4.940 4.273 -4.106 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.360 4.534 -2.746 1.00 0.00 C ATOM 0 HA PRO A 68 -4.048 7.086 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.642 5.571 -4.147 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.658 5.632 -5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.647 3.444 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.160 4.001 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.053 4.254 -1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.444 3.966 -2.584 1.00 0.00 H new ATOM 1093 N ASP A 69 -6.051 8.642 -4.390 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.890 9.792 -4.086 1.00 0.00 C ATOM 1095 C ASP A 69 -8.092 9.857 -5.021 1.00 0.00 C ATOM 1096 O ASP A 69 -8.097 10.622 -5.986 1.00 0.00 O ATOM 1097 CB ASP A 69 -6.075 11.081 -4.195 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.785 12.268 -3.573 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.674 12.449 -2.343 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.453 13.017 -4.318 1.00 0.00 O ATOM 0 H ASP A 69 -5.811 8.543 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.256 9.683 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.111 10.941 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.872 11.292 -5.245 1.00 0.00 H new ATOM 1105 N LEU A 70 -9.105 9.046 -4.736 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.303 9.015 -5.549 1.00 0.00 C ATOM 1107 C LEU A 70 -11.459 9.703 -4.841 1.00 0.00 C ATOM 1108 O LEU A 70 -11.328 10.174 -3.711 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.688 7.572 -5.879 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.783 6.875 -6.895 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.125 5.396 -6.983 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -9.908 7.533 -8.261 1.00 0.00 C ATOM 0 H LEU A 70 -9.115 8.402 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.092 9.551 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.686 6.992 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.709 7.563 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.750 6.972 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.472 4.914 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.986 4.932 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.163 5.281 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.257 7.024 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.941 7.467 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.616 8.581 -8.188 1.00 0.00 H new ATOM 1124 N ALA A 71 -12.579 9.764 -5.537 1.00 0.00 N ATOM 1125 CA ALA A 71 -13.795 10.381 -5.019 1.00 0.00 C ATOM 1126 C ALA A 71 -14.178 9.829 -3.647 1.00 0.00 C ATOM 1127 O ALA A 71 -13.450 9.033 -3.052 1.00 0.00 O ATOM 1128 CB ALA A 71 -14.939 10.188 -6.003 1.00 0.00 C ATOM 0 H ALA A 71 -12.676 9.387 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.597 11.446 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.842 10.652 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.681 10.651 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -15.114 9.123 -6.153 1.00 0.00 H new ATOM 1134 N GLY A 72 -15.340 10.249 -3.161 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.806 9.809 -1.860 1.00 0.00 C ATOM 1136 C GLY A 72 -16.573 8.504 -1.916 1.00 0.00 C ATOM 1137 O GLY A 72 -17.428 8.315 -2.780 1.00 0.00 O ATOM 0 H GLY A 72 -15.969 10.888 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.951 9.693 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.444 10.581 -1.429 1.00 0.00 H new ATOM 1141 N ARG A 73 -16.264 7.611 -0.980 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.915 6.306 -0.892 1.00 0.00 C ATOM 1143 C ARG A 73 -16.956 5.597 -2.245 1.00 0.00 C ATOM 1144 O ARG A 73 -17.801 5.893 -3.090 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.330 6.469 -0.339 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.360 6.976 1.093 1.00 0.00 C ATOM 1147 CD ARG A 73 -19.683 7.642 1.422 1.00 0.00 C ATOM 1148 NE ARG A 73 -19.780 8.000 2.835 1.00 0.00 N ATOM 1149 CZ ARG A 73 -20.818 8.640 3.366 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -21.844 8.996 2.604 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -20.831 8.925 4.661 1.00 0.00 N ATOM 0 H ARG A 73 -15.557 7.770 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.327 5.685 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.883 7.161 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.845 5.510 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.190 6.145 1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.547 7.686 1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.799 8.538 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.501 6.971 1.161 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.007 7.744 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.839 8.779 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.638 9.487 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.044 8.653 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.628 9.416 5.067 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.042 4.650 -2.436 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.972 3.891 -3.678 1.00 0.00 C ATOM 1167 C LEU A 74 -16.012 2.392 -3.393 1.00 0.00 C ATOM 1168 O LEU A 74 -15.332 1.903 -2.491 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.704 4.246 -4.458 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.394 4.113 -3.678 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -12.233 3.867 -4.629 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.142 5.362 -2.844 1.00 0.00 C ATOM 0 H LEU A 74 -15.339 4.390 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.838 4.154 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.649 3.607 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.792 5.272 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.478 3.259 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.309 3.775 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.408 2.947 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.149 4.702 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.207 5.251 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.077 6.230 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.962 5.500 -2.139 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.813 1.669 -4.170 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.954 0.228 -3.995 1.00 0.00 C ATOM 1186 C GLU A 75 -15.665 -0.509 -4.354 1.00 0.00 C ATOM 1187 O GLU A 75 -15.258 -0.545 -5.514 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.114 -0.298 -4.844 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.033 0.103 -6.308 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.185 -0.441 -7.127 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -19.105 -1.610 -7.562 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -20.169 0.300 -7.334 1.00 0.00 O ATOM 0 H GLU A 75 -17.375 2.058 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.165 0.041 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.138 -1.386 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.052 0.069 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.021 1.190 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.093 -0.256 -6.727 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.028 -1.092 -3.343 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.795 -1.843 -3.545 1.00 0.00 C ATOM 1201 C ILE A 76 -13.928 -3.258 -2.989 1.00 0.00 C ATOM 1202 O ILE A 76 -13.942 -3.468 -1.775 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.583 -1.135 -2.897 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.003 -0.095 -3.863 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.515 -2.145 -2.491 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.106 -0.682 -4.933 1.00 0.00 C ATOM 0 H ILE A 76 -15.346 -1.058 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.621 -1.897 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.922 -0.626 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.824 0.438 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.437 0.641 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.673 -1.622 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.934 -2.849 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.173 -2.687 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.736 0.117 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.264 -1.190 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.672 -1.396 -5.531 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.050 -4.221 -3.893 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.181 -5.620 -3.510 1.00 0.00 C ATOM 1220 C GLU A 77 -12.813 -6.281 -3.407 1.00 0.00 C ATOM 1221 O GLU A 77 -12.005 -6.203 -4.329 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.054 -6.367 -4.521 1.00 0.00 C ATOM 1223 CG GLU A 77 -16.483 -5.853 -4.583 1.00 0.00 C ATOM 1224 CD GLU A 77 -17.321 -6.581 -5.616 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.850 -7.665 -5.294 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -17.448 -6.065 -6.747 1.00 0.00 O ATOM 0 H GLU A 77 -14.061 -4.058 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.659 -5.664 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.603 -6.284 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.068 -7.426 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.947 -5.961 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.472 -4.788 -4.815 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.566 -6.940 -2.284 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.289 -7.604 -2.057 1.00 0.00 C ATOM 1235 C VAL A 78 -11.402 -9.109 -2.217 1.00 0.00 C ATOM 1236 O VAL A 78 -11.930 -9.793 -1.340 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.736 -7.310 -0.652 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.954 -6.011 -0.642 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.852 -7.273 0.370 1.00 0.00 C ATOM 0 H VAL A 78 -13.232 -7.030 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.607 -7.206 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.056 -8.118 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.573 -5.824 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.120 -6.083 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.607 -5.191 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.436 -7.064 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.564 -6.492 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.361 -8.237 0.388 1.00 0.00 H new ATOM 1249 N ASN A 79 -10.913 -9.628 -3.336 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.949 -11.063 -3.572 1.00 0.00 C ATOM 1251 C ASN A 79 -10.113 -11.774 -2.516 1.00 0.00 C ATOM 1252 O ASN A 79 -10.414 -12.900 -2.119 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.413 -11.382 -4.967 1.00 0.00 C ATOM 1254 CG ASN A 79 -10.925 -10.415 -6.014 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.260 -9.272 -6.136 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -11.911 -10.686 -6.699 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.491 -9.082 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.980 -11.410 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.324 -11.353 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.701 -12.397 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.391 -11.577 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.248 -10.020 -7.394 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.053 -11.096 -2.078 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.167 -11.642 -1.065 1.00 0.00 C ATOM 1265 C GLY A 80 -8.910 -12.326 0.066 1.00 0.00 C ATOM 1266 O GLY A 80 -8.445 -13.334 0.599 1.00 0.00 O ATOM 0 H GLY A 80 -8.792 -10.168 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.488 -12.356 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.553 -10.839 -0.656 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.066 -11.782 0.437 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.864 -12.361 1.508 1.00 0.00 C ATOM 1272 C ASN A 81 -12.352 -12.266 1.189 1.00 0.00 C ATOM 1273 O ASN A 81 -13.196 -12.431 2.070 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.565 -11.669 2.834 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.319 -10.368 2.995 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.425 -10.344 3.531 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.721 -9.277 2.536 1.00 0.00 N ATOM 0 H ASN A 81 -10.467 -10.946 0.013 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.597 -13.414 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.823 -12.338 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.495 -11.475 2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.180 -8.370 2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.802 -9.345 2.098 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.667 -12.010 -0.078 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.052 -11.908 -0.502 1.00 0.00 C ATOM 1286 C GLY A 82 -14.867 -10.889 0.272 1.00 0.00 C ATOM 1287 O GLY A 82 -16.072 -11.071 0.444 1.00 0.00 O ATOM 0 H GLY A 82 -11.983 -11.871 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.078 -11.649 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.524 -12.886 -0.402 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.234 -9.817 0.745 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.965 -8.794 1.488 1.00 0.00 C ATOM 1293 C PHE A 83 -15.471 -7.693 0.566 1.00 0.00 C ATOM 1294 O PHE A 83 -14.712 -6.826 0.134 1.00 0.00 O ATOM 1295 CB PHE A 83 -14.100 -8.193 2.598 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.747 -7.036 3.303 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.805 -7.242 4.173 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -14.299 -5.742 3.093 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.403 -6.179 4.823 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.894 -4.674 3.739 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.947 -4.894 4.604 1.00 0.00 C ATOM 0 H PHE A 83 -13.237 -9.636 0.630 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.826 -9.282 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.869 -8.969 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.153 -7.864 2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.167 -8.245 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.476 -5.565 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -17.225 -6.353 5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.536 -3.670 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.414 -4.062 5.109 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.764 -7.738 0.269 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.381 -6.741 -0.589 1.00 0.00 C ATOM 1313 C ARG A 84 -17.841 -5.551 0.241 1.00 0.00 C ATOM 1314 O ARG A 84 -18.701 -5.683 1.113 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.567 -7.339 -1.348 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.289 -6.334 -2.230 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.423 -6.979 -3.010 1.00 0.00 C ATOM 1318 NE ARG A 84 -21.165 -6.001 -3.798 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.077 -6.324 -4.711 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.358 -7.597 -4.951 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.709 -5.372 -5.383 1.00 0.00 N ATOM 0 H ARG A 84 -17.403 -8.455 0.611 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.640 -6.406 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.214 -8.165 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.274 -7.756 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.685 -5.528 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.580 -5.885 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.019 -7.746 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -21.102 -7.478 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.973 -5.012 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.874 -8.332 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.058 -7.841 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.496 -4.391 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.408 -5.620 -6.083 1.00 0.00 H new ATOM 1335 N GLY A 85 -17.262 -4.390 -0.035 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.627 -3.195 0.704 1.00 0.00 C ATOM 1337 C GLY A 85 -16.984 -1.937 0.156 1.00 0.00 C ATOM 1338 O GLY A 85 -15.834 -1.957 -0.284 1.00 0.00 O ATOM 0 H GLY A 85 -16.550 -4.253 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.711 -3.080 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.338 -3.318 1.748 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.733 -0.838 0.182 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.233 0.442 -0.303 1.00 0.00 C ATOM 1344 C GLU A 86 -16.318 1.079 0.737 1.00 0.00 C ATOM 1345 O GLU A 86 -16.705 1.249 1.894 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.396 1.386 -0.619 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.396 0.813 -1.611 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.505 1.791 -1.950 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.528 1.799 -1.235 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.347 2.549 -2.930 1.00 0.00 O ATOM 0 H GLU A 86 -18.690 -0.810 0.535 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.665 0.266 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.916 1.631 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.997 2.319 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.874 0.530 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.832 -0.097 -1.198 1.00 0.00 H new ATOM 1357 N LEU A 87 -15.106 1.428 0.323 1.00 0.00 N ATOM 1358 CA LEU A 87 -14.141 2.038 1.229 1.00 0.00 C ATOM 1359 C LEU A 87 -13.498 3.265 0.591 1.00 0.00 C ATOM 1360 O LEU A 87 -13.608 3.475 -0.616 1.00 0.00 O ATOM 1361 CB LEU A 87 -13.063 1.023 1.610 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.318 1.327 2.912 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -13.262 1.221 4.101 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.138 0.383 3.081 1.00 0.00 C ATOM 0 H LEU A 87 -14.769 1.300 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.669 2.354 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.525 0.040 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.337 0.965 0.799 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.938 2.348 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.717 1.440 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.077 1.935 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.670 0.211 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.619 0.612 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.496 -0.646 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.452 0.505 2.243 1.00 0.00 H new ATOM 1376 N SER A 88 -12.827 4.070 1.408 1.00 0.00 N ATOM 1377 CA SER A 88 -12.165 5.273 0.919 1.00 0.00 C ATOM 1378 C SER A 88 -10.842 4.922 0.250 1.00 0.00 C ATOM 1379 O SER A 88 -10.180 3.958 0.634 1.00 0.00 O ATOM 1380 CB SER A 88 -11.928 6.254 2.069 1.00 0.00 C ATOM 1381 OG SER A 88 -11.282 7.430 1.613 1.00 0.00 O ATOM 0 H SER A 88 -12.728 3.911 2.411 1.00 0.00 H new ATOM 0 HA SER A 88 -12.813 5.745 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.880 6.515 2.531 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.321 5.777 2.838 1.00 0.00 H new ATOM 0 HG SER A 88 -11.144 8.041 2.367 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.462 5.708 -0.753 1.00 0.00 N ATOM 1388 CA ALA A 89 -9.215 5.475 -1.476 1.00 0.00 C ATOM 1389 C ALA A 89 -8.028 5.432 -0.521 1.00 0.00 C ATOM 1390 O ALA A 89 -6.987 4.854 -0.834 1.00 0.00 O ATOM 1391 CB ALA A 89 -9.008 6.552 -2.530 1.00 0.00 C ATOM 0 H ALA A 89 -10.998 6.510 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.285 4.506 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.075 6.366 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.838 6.534 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.963 7.529 -2.048 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.191 6.048 0.644 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.138 6.077 1.649 1.00 0.00 C ATOM 1399 C ASP A 90 -7.092 4.763 2.419 1.00 0.00 C ATOM 1400 O ASP A 90 -6.064 4.088 2.448 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.357 7.243 2.615 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.258 7.348 3.654 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.249 8.031 3.383 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.407 6.746 4.739 1.00 0.00 O ATOM 0 H ASP A 90 -9.045 6.535 0.915 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.184 6.214 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.409 8.174 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.317 7.120 3.117 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.215 4.400 3.032 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.301 3.164 3.805 1.00 0.00 C ATOM 1411 C ALA A 91 -8.159 1.943 2.906 1.00 0.00 C ATOM 1412 O ALA A 91 -7.956 0.828 3.386 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.614 3.106 4.572 1.00 0.00 C ATOM 0 H ALA A 91 -9.078 4.943 3.009 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.477 3.156 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.661 2.178 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.675 3.955 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.447 3.143 3.870 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.266 2.158 1.599 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.144 1.074 0.637 1.00 0.00 C ATOM 1421 C ALA A 92 -6.719 0.998 0.113 1.00 0.00 C ATOM 1422 O ALA A 92 -6.213 -0.084 -0.191 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.127 1.264 -0.508 1.00 0.00 C ATOM 0 H ALA A 92 -8.437 3.074 1.184 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.381 0.135 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.022 0.444 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.144 1.276 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.921 2.208 -1.012 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.073 2.157 0.010 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.704 2.195 -0.452 1.00 0.00 C ATOM 1431 C GLY A 93 -3.796 1.431 0.481 1.00 0.00 C ATOM 1432 O GLY A 93 -2.683 1.053 0.116 1.00 0.00 O ATOM 0 H GLY A 93 -6.476 3.066 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.643 1.770 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.369 3.230 -0.524 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.284 1.205 1.697 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.532 0.467 2.701 1.00 0.00 C ATOM 1438 C ILE A 94 -3.406 -0.991 2.282 1.00 0.00 C ATOM 1439 O ILE A 94 -2.357 -1.611 2.443 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.217 0.526 4.084 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.907 1.878 4.303 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.204 0.258 5.188 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.983 3.071 4.189 1.00 0.00 C ATOM 0 H ILE A 94 -5.201 1.525 2.010 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.548 0.930 2.779 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.983 -0.249 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.712 1.985 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.368 1.882 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.701 0.303 6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.768 -0.731 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.416 1.010 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.549 3.987 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.192 2.991 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.541 3.095 3.193 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.494 -1.521 1.737 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.543 -2.904 1.286 1.00 0.00 C ATOM 1457 C VAL A 95 -3.887 -3.066 -0.083 1.00 0.00 C ATOM 1458 O VAL A 95 -3.420 -4.148 -0.433 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.000 -3.400 1.207 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.056 -4.863 0.800 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.708 -3.179 2.534 1.00 0.00 C ATOM 0 H VAL A 95 -5.363 -1.006 1.596 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.993 -3.500 2.014 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.517 -2.822 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.095 -5.188 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.591 -4.987 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.521 -5.466 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.736 -3.535 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.189 -3.728 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.708 -2.116 2.774 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.844 -1.983 -0.854 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.251 -2.020 -2.186 1.00 0.00 C ATOM 1473 C ALA A 96 -1.731 -2.140 -2.118 1.00 0.00 C ATOM 1474 O ALA A 96 -1.136 -2.979 -2.795 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.648 -0.781 -2.971 1.00 0.00 C ATOM 0 H ALA A 96 -4.212 -1.072 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.632 -2.904 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.199 -0.820 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.733 -0.742 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.297 0.109 -2.449 1.00 0.00 H new ATOM 1481 N THR A 97 -1.108 -1.298 -1.301 1.00 0.00 N ATOM 1482 CA THR A 97 0.343 -1.311 -1.153 1.00 0.00 C ATOM 1483 C THR A 97 0.806 -2.508 -0.328 1.00 0.00 C ATOM 1484 O THR A 97 1.817 -3.135 -0.646 1.00 0.00 O ATOM 1485 CB THR A 97 0.855 -0.014 -0.497 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.274 -0.081 -0.321 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.184 0.218 0.849 1.00 0.00 C ATOM 0 H THR A 97 -1.584 -0.598 -0.732 1.00 0.00 H new ATOM 0 HA THR A 97 0.760 -1.388 -2.157 1.00 0.00 H new ATOM 0 HB THR A 97 0.608 0.819 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.592 0.748 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.563 1.140 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.894 0.299 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.401 -0.619 1.513 1.00 0.00 H new ATOM 1495 N LEU A 98 0.066 -2.817 0.733 1.00 0.00 N ATOM 1496 CA LEU A 98 0.402 -3.944 1.601 1.00 0.00 C ATOM 1497 C LEU A 98 0.578 -5.230 0.797 1.00 0.00 C ATOM 1498 O LEU A 98 1.568 -5.943 0.964 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.676 -4.143 2.667 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.486 -3.323 3.946 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.655 -3.539 4.895 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.826 -3.689 4.625 1.00 0.00 C ATOM 0 H LEU A 98 -0.770 -2.304 1.013 1.00 0.00 H new ATOM 0 HA LEU A 98 1.348 -3.712 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.644 -3.892 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.711 -5.199 2.933 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.451 -2.268 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.504 -2.949 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.580 -3.228 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.720 -4.595 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.944 -3.096 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.820 -4.748 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.655 -3.485 3.948 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.384 -5.523 -0.073 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.326 -6.728 -0.892 1.00 0.00 C ATOM 1516 C PHE A 99 0.881 -6.700 -1.824 1.00 0.00 C ATOM 1517 O PHE A 99 1.488 -7.736 -2.096 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.616 -6.891 -1.697 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.658 -7.707 -0.987 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.537 -7.113 -0.093 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -2.756 -9.071 -1.210 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.493 -7.867 0.562 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -3.708 -9.829 -0.557 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.578 -9.225 0.331 1.00 0.00 C ATOM 0 H PHE A 99 -1.210 -4.945 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.219 -7.583 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.025 -5.905 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.383 -7.362 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.474 -6.051 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.079 -9.548 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.173 -7.393 1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.773 -10.891 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.323 -9.815 0.843 1.00 0.00 H new ATOM 1534 N ALA A 100 1.223 -5.511 -2.314 1.00 0.00 N ATOM 1535 CA ALA A 100 2.366 -5.356 -3.205 1.00 0.00 C ATOM 1536 C ALA A 100 3.639 -5.866 -2.539 1.00 0.00 C ATOM 1537 O ALA A 100 4.436 -6.570 -3.158 1.00 0.00 O ATOM 1538 CB ALA A 100 2.523 -3.899 -3.614 1.00 0.00 C ATOM 0 H ALA A 100 0.726 -4.644 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 100 2.189 -5.950 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.380 -3.798 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.622 -3.567 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.679 -3.287 -2.726 1.00 0.00 H new ATOM 1544 N LEU A 101 3.823 -5.501 -1.273 1.00 0.00 N ATOM 1545 CA LEU A 101 4.990 -5.930 -0.510 1.00 0.00 C ATOM 1546 C LEU A 101 5.075 -7.451 -0.473 1.00 0.00 C ATOM 1547 O LEU A 101 6.157 -8.029 -0.580 1.00 0.00 O ATOM 1548 CB LEU A 101 4.919 -5.383 0.916 1.00 0.00 C ATOM 1549 CG LEU A 101 5.149 -3.877 1.053 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.783 -3.410 2.454 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.594 -3.528 0.733 1.00 0.00 C ATOM 0 H LEU A 101 3.176 -4.907 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 101 5.882 -5.539 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.940 -5.623 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.659 -5.903 1.524 1.00 0.00 H new ATOM 0 HG LEU A 101 4.506 -3.362 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.952 -2.336 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.733 -3.627 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.402 -3.931 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.740 -2.453 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.256 -4.051 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.823 -3.829 -0.289 1.00 0.00 H new ATOM 1563 N GLY A 102 3.920 -8.091 -0.320 1.00 0.00 N ATOM 1564 CA GLY A 102 3.869 -9.540 -0.270 1.00 0.00 C ATOM 1565 C GLY A 102 4.280 -10.185 -1.580 1.00 0.00 C ATOM 1566 O GLY A 102 4.872 -11.265 -1.585 1.00 0.00 O ATOM 0 H GLY A 102 3.015 -7.629 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.523 -9.895 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.857 -9.855 -0.016 1.00 0.00 H new ATOM 1570 N GLN A 103 3.968 -9.526 -2.693 1.00 0.00 N ATOM 1571 CA GLN A 103 4.310 -10.050 -4.011 1.00 0.00 C ATOM 1572 C GLN A 103 5.802 -9.890 -4.288 1.00 0.00 C ATOM 1573 O GLN A 103 6.462 -10.826 -4.738 1.00 0.00 O ATOM 1574 CB GLN A 103 3.492 -9.345 -5.096 1.00 0.00 C ATOM 1575 CG GLN A 103 3.596 -10.007 -6.461 1.00 0.00 C ATOM 1576 CD GLN A 103 2.606 -9.444 -7.463 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.466 -9.901 -7.551 1.00 0.00 O ATOM 1578 NE2 GLN A 103 3.040 -8.455 -8.236 1.00 0.00 N ATOM 0 H GLN A 103 3.480 -8.630 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 103 4.070 -11.113 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.446 -9.320 -4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.825 -8.310 -5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.608 -9.880 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.428 -11.079 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.992 -8.106 -8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.421 -8.045 -8.935 1.00 0.00 H new ATOM 1587 N LEU A 104 6.327 -8.696 -4.020 1.00 0.00 N ATOM 1588 CA LEU A 104 7.744 -8.416 -4.231 1.00 0.00 C ATOM 1589 C LEU A 104 8.611 -9.410 -3.467 1.00 0.00 C ATOM 1590 O LEU A 104 9.639 -9.869 -3.968 1.00 0.00 O ATOM 1591 CB LEU A 104 8.076 -6.990 -3.789 1.00 0.00 C ATOM 1592 CG LEU A 104 7.672 -5.893 -4.776 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.772 -4.523 -4.122 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.537 -5.955 -6.025 1.00 0.00 C ATOM 0 H LEU A 104 5.792 -7.908 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 104 7.955 -8.517 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.584 -6.798 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.150 -6.921 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 104 6.635 -6.058 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.481 -3.755 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.109 -4.483 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.798 -4.348 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.236 -5.168 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.583 -5.816 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.414 -6.926 -6.505 1.00 0.00 H new ATOM 1606 N ALA A 105 8.190 -9.734 -2.251 1.00 0.00 N ATOM 1607 CA ALA A 105 8.920 -10.675 -1.413 1.00 0.00 C ATOM 1608 C ALA A 105 8.859 -12.082 -1.996 1.00 0.00 C ATOM 1609 O ALA A 105 9.797 -12.866 -1.853 1.00 0.00 O ATOM 1610 CB ALA A 105 8.362 -10.665 0.002 1.00 0.00 C ATOM 0 H ALA A 105 7.344 -9.357 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 105 9.964 -10.364 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.917 -11.373 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.458 -9.665 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.310 -10.950 -0.020 1.00 0.00 H new ATOM 1616 N ALA A 106 7.751 -12.393 -2.660 1.00 0.00 N ATOM 1617 CA ALA A 106 7.558 -13.707 -3.263 1.00 0.00 C ATOM 1618 C ALA A 106 8.334 -13.839 -4.568 1.00 0.00 C ATOM 1619 O ALA A 106 8.630 -14.947 -5.016 1.00 0.00 O ATOM 1620 CB ALA A 106 6.078 -13.965 -3.500 1.00 0.00 C ATOM 0 H ALA A 106 6.970 -11.751 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 106 7.942 -14.454 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.948 -14.949 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.545 -13.928 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.679 -13.204 -4.170 1.00 0.00 H new ATOM 1626 N GLU A 107 8.660 -12.703 -5.178 1.00 0.00 N ATOM 1627 CA GLU A 107 9.397 -12.693 -6.432 1.00 0.00 C ATOM 1628 C GLU A 107 10.834 -13.161 -6.229 1.00 0.00 C ATOM 1629 O GLU A 107 11.317 -14.040 -6.943 1.00 0.00 O ATOM 1630 CB GLU A 107 9.377 -11.288 -7.030 1.00 0.00 C ATOM 1631 CG GLU A 107 8.026 -10.888 -7.598 1.00 0.00 C ATOM 1632 CD GLU A 107 8.040 -9.508 -8.225 1.00 0.00 C ATOM 1633 OE1 GLU A 107 8.515 -9.382 -9.372 1.00 0.00 O ATOM 1634 OE2 GLU A 107 7.577 -8.552 -7.567 1.00 0.00 O ATOM 0 H GLU A 107 8.424 -11.777 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 107 8.914 -13.386 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.665 -10.571 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.126 -11.228 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.720 -11.619 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.280 -10.914 -6.803 1.00 0.00 H new ATOM 1750 N LEU A 117 12.886 -7.562 3.153 1.00 0.00 N ATOM 1751 CA LEU A 117 12.034 -6.463 2.719 1.00 0.00 C ATOM 1752 C LEU A 117 10.685 -6.529 3.423 1.00 0.00 C ATOM 1753 O LEU A 117 9.920 -5.568 3.418 1.00 0.00 O ATOM 1754 CB LEU A 117 11.853 -6.485 1.188 1.00 0.00 C ATOM 1755 CG LEU A 117 10.858 -7.514 0.621 1.00 0.00 C ATOM 1756 CD1 LEU A 117 11.063 -8.884 1.250 1.00 0.00 C ATOM 1757 CD2 LEU A 117 9.422 -7.041 0.804 1.00 0.00 C ATOM 0 HA LEU A 117 12.518 -5.524 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.534 -5.493 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.827 -6.668 0.733 1.00 0.00 H new ATOM 0 HG LEU A 117 11.050 -7.607 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.346 -9.589 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.076 -9.231 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.915 -8.815 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.739 -7.785 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.217 -6.904 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.281 -6.094 0.282 1.00 0.00 H new ATOM 1769 N ILE A 118 10.399 -7.677 4.022 1.00 0.00 N ATOM 1770 CA ILE A 118 9.148 -7.873 4.735 1.00 0.00 C ATOM 1771 C ILE A 118 9.111 -6.999 5.986 1.00 0.00 C ATOM 1772 O ILE A 118 8.050 -6.747 6.561 1.00 0.00 O ATOM 1773 CB ILE A 118 8.962 -9.359 5.118 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.634 -10.190 3.872 1.00 0.00 C ATOM 1775 CG2 ILE A 118 7.874 -9.520 6.168 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.334 -9.799 3.202 1.00 0.00 C ATOM 0 H ILE A 118 11.019 -8.487 4.027 1.00 0.00 H new ATOM 0 HA ILE A 118 8.330 -7.583 4.076 1.00 0.00 H new ATOM 0 HB ILE A 118 9.897 -9.721 5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.447 -10.087 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.586 -11.243 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.764 -10.575 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.146 -8.960 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.931 -9.140 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.170 -10.431 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.510 -9.929 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.385 -8.756 2.891 1.00 0.00 H new ATOM 1788 N ASP A 119 10.285 -6.523 6.383 1.00 0.00 N ATOM 1789 CA ASP A 119 10.424 -5.675 7.560 1.00 0.00 C ATOM 1790 C ASP A 119 9.499 -4.466 7.488 1.00 0.00 C ATOM 1791 O ASP A 119 8.835 -4.124 8.466 1.00 0.00 O ATOM 1792 CB ASP A 119 11.870 -5.201 7.687 1.00 0.00 C ATOM 1793 CG ASP A 119 12.278 -4.959 9.126 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.336 -5.938 9.900 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.544 -3.791 9.479 1.00 0.00 O ATOM 0 H ASP A 119 11.163 -6.713 5.901 1.00 0.00 H new ATOM 0 HA ASP A 119 10.147 -6.266 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.533 -5.945 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.999 -4.281 7.117 1.00 0.00 H new ATOM 1800 N ARG A 120 9.456 -3.824 6.325 1.00 0.00 N ATOM 1801 CA ARG A 120 8.614 -2.643 6.148 1.00 0.00 C ATOM 1802 C ARG A 120 7.136 -3.017 6.129 1.00 0.00 C ATOM 1803 O ARG A 120 6.285 -2.230 6.543 1.00 0.00 O ATOM 1804 CB ARG A 120 8.984 -1.871 4.877 1.00 0.00 C ATOM 1805 CG ARG A 120 9.391 -2.747 3.706 1.00 0.00 C ATOM 1806 CD ARG A 120 10.901 -2.761 3.526 1.00 0.00 C ATOM 1807 NE ARG A 120 11.295 -3.315 2.235 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.492 -3.131 1.687 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.415 -2.423 2.325 1.00 0.00 N ATOM 1810 NH2 ARG A 120 12.770 -3.657 0.503 1.00 0.00 N ATOM 0 H ARG A 120 9.988 -4.097 5.498 1.00 0.00 H new ATOM 0 HA ARG A 120 8.794 -1.991 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.133 -1.259 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 120 9.803 -1.189 5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.032 -3.764 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.917 -2.383 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.286 -1.745 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.355 -3.347 4.325 1.00 0.00 H new ATOM 0 HE ARG A 120 10.613 -3.875 1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 120 13.207 -2.019 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.333 -2.283 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.065 -4.205 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.689 -3.514 0.085 1.00 0.00 H new ATOM 1824 N TYR A 121 6.834 -4.217 5.648 1.00 0.00 N ATOM 1825 CA TYR A 121 5.455 -4.690 5.592 1.00 0.00 C ATOM 1826 C TYR A 121 4.849 -4.731 6.992 1.00 0.00 C ATOM 1827 O TYR A 121 3.725 -4.279 7.202 1.00 0.00 O ATOM 1828 CB TYR A 121 5.393 -6.079 4.948 1.00 0.00 C ATOM 1829 CG TYR A 121 4.010 -6.699 4.945 1.00 0.00 C ATOM 1830 CD1 TYR A 121 3.510 -7.342 6.071 1.00 0.00 C ATOM 1831 CD2 TYR A 121 3.210 -6.648 3.812 1.00 0.00 C ATOM 1832 CE1 TYR A 121 2.251 -7.914 6.066 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.952 -7.220 3.797 1.00 0.00 C ATOM 1834 CZ TYR A 121 1.478 -7.851 4.926 1.00 0.00 C ATOM 1835 OH TYR A 121 0.226 -8.423 4.917 1.00 0.00 O ATOM 0 H TYR A 121 7.523 -4.879 5.292 1.00 0.00 H new ATOM 0 HA TYR A 121 4.877 -3.996 4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.749 -6.007 3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 121 6.076 -6.744 5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 121 4.114 -7.396 6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.577 -6.152 2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.875 -8.407 6.950 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.344 -7.173 2.906 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.188 -8.290 4.039 1.00 0.00 H new ATOM 1845 N HIS A 122 5.599 -5.280 7.943 1.00 0.00 N ATOM 1846 CA HIS A 122 5.132 -5.377 9.322 1.00 0.00 C ATOM 1847 C HIS A 122 4.833 -3.996 9.889 1.00 0.00 C ATOM 1848 O HIS A 122 3.857 -3.811 10.617 1.00 0.00 O ATOM 1849 CB HIS A 122 6.170 -6.081 10.197 1.00 0.00 C ATOM 1850 CG HIS A 122 6.297 -7.545 9.917 1.00 0.00 C ATOM 1851 ND1 HIS A 122 7.197 -8.227 9.173 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 5.431 -8.488 10.430 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 6.862 -9.557 9.250 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 5.795 -9.688 10.014 1.00 0.00 N flip ATOM 0 H HIS A 122 6.531 -5.664 7.785 1.00 0.00 H new ATOM 0 HA HIS A 122 4.214 -5.964 9.323 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.140 -5.606 10.049 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.904 -5.942 11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 122 4.588 -8.278 11.071 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.388 -10.365 8.763 1.00 0.00 H new ATOM 0 HE2 HIS A 122 5.330 -10.566 10.244 1.00 0.00 H new ATOM 1863 N PHE A 123 5.678 -3.028 9.551 1.00 0.00 N ATOM 1864 CA PHE A 123 5.500 -1.662 10.026 1.00 0.00 C ATOM 1865 C PHE A 123 4.168 -1.104 9.542 1.00 0.00 C ATOM 1866 O PHE A 123 3.359 -0.621 10.334 1.00 0.00 O ATOM 1867 CB PHE A 123 6.651 -0.774 9.548 1.00 0.00 C ATOM 1868 CG PHE A 123 8.003 -1.205 10.051 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.165 -1.652 11.354 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.111 -1.158 9.222 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.407 -2.045 11.817 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.355 -1.549 9.679 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.503 -1.993 10.980 1.00 0.00 C ATOM 0 H PHE A 123 6.491 -3.164 8.951 1.00 0.00 H new ATOM 0 HA PHE A 123 5.500 -1.672 11.116 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.664 -0.769 8.458 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.464 0.251 9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.311 -1.694 12.014 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.002 -0.811 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.519 -2.393 12.833 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.210 -1.508 9.021 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.474 -2.298 11.340 1.00 0.00 H new ATOM 1883 N LEU A 124 3.952 -1.173 8.232 1.00 0.00 N ATOM 1884 CA LEU A 124 2.715 -0.693 7.629 1.00 0.00 C ATOM 1885 C LEU A 124 1.514 -1.390 8.256 1.00 0.00 C ATOM 1886 O LEU A 124 0.563 -0.745 8.697 1.00 0.00 O ATOM 1887 CB LEU A 124 2.738 -0.962 6.122 1.00 0.00 C ATOM 1888 CG LEU A 124 1.960 0.032 5.255 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.011 -0.393 3.795 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.517 0.153 5.722 1.00 0.00 C ATOM 0 H LEU A 124 4.621 -1.559 7.566 1.00 0.00 H new ATOM 0 HA LEU A 124 2.631 0.379 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.776 -0.970 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.338 -1.960 5.944 1.00 0.00 H new ATOM 0 HG LEU A 124 2.429 1.011 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.454 0.321 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.048 -0.423 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.567 -1.383 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.012 0.865 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.031 -0.820 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.497 0.501 6.755 1.00 0.00 H new ATOM 1902 N ARG A 125 1.570 -2.717 8.277 1.00 0.00 N ATOM 1903 CA ARG A 125 0.501 -3.535 8.841 1.00 0.00 C ATOM 1904 C ARG A 125 0.076 -3.038 10.222 1.00 0.00 C ATOM 1905 O ARG A 125 -1.077 -3.209 10.619 1.00 0.00 O ATOM 1906 CB ARG A 125 0.958 -4.991 8.932 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.143 -5.956 9.342 1.00 0.00 C ATOM 1908 CD ARG A 125 0.381 -7.379 9.444 1.00 0.00 C ATOM 1909 NE ARG A 125 -0.676 -8.332 9.774 1.00 0.00 N ATOM 1910 CZ ARG A 125 -0.446 -9.536 10.289 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.797 -9.927 10.541 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -1.459 -10.350 10.554 1.00 0.00 N ATOM 0 H ARG A 125 2.353 -3.255 7.906 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.362 -3.459 8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.356 -5.298 7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.775 -5.061 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.559 -5.650 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.954 -5.916 8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.843 -7.663 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.160 -7.424 10.205 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.643 -8.059 9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.579 -9.303 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.971 -10.851 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.416 -10.053 10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.281 -11.273 10.949 1.00 0.00 H new ATOM 1926 N GLY A 126 1.004 -2.422 10.951 1.00 0.00 N ATOM 1927 CA GLY A 126 0.692 -1.930 12.280 1.00 0.00 C ATOM 1928 C GLY A 126 0.068 -0.548 12.272 1.00 0.00 C ATOM 1929 O GLY A 126 -0.679 -0.198 13.187 1.00 0.00 O ATOM 0 H GLY A 126 1.963 -2.256 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.011 -2.627 12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.605 -1.907 12.876 1.00 0.00 H new ATOM 1933 N PHE A 127 0.368 0.243 11.245 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.174 1.594 11.145 1.00 0.00 C ATOM 1935 C PHE A 127 -1.662 1.563 10.811 1.00 0.00 C ATOM 1936 O PHE A 127 -2.423 2.429 11.242 1.00 0.00 O ATOM 1937 CB PHE A 127 0.586 2.394 10.085 1.00 0.00 C ATOM 1938 CG PHE A 127 0.020 3.765 9.841 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.004 4.711 10.853 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.490 4.106 8.598 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.525 5.970 10.630 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.012 5.364 8.370 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.030 6.298 9.387 1.00 0.00 C ATOM 0 H PHE A 127 0.980 -0.027 10.475 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.051 2.080 12.113 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.627 2.490 10.392 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.580 1.836 9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.389 4.461 11.827 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.479 3.380 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.538 6.698 11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.406 5.617 7.397 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.438 7.282 9.211 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.069 0.560 10.041 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.462 0.414 9.647 1.00 0.00 C ATOM 1955 C ALA A 128 -4.343 0.110 10.851 1.00 0.00 C ATOM 1956 O ALA A 128 -5.570 0.169 10.762 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.600 -0.682 8.603 1.00 0.00 C ATOM 0 H ALA A 128 -1.451 -0.165 9.677 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.794 1.359 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.647 -0.782 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.006 -0.426 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.246 -1.626 9.017 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.714 -0.215 11.977 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.447 -0.524 13.197 1.00 0.00 C ATOM 1965 C ALA A 129 -4.877 0.755 13.904 1.00 0.00 C ATOM 1966 O ALA A 129 -5.855 0.766 14.652 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.600 -1.384 14.122 1.00 0.00 C ATOM 0 H ALA A 129 -2.700 -0.271 12.068 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.342 -1.084 12.927 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.162 -1.606 15.029 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.342 -2.315 13.618 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.688 -0.848 14.383 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.136 1.831 13.660 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.455 3.107 14.273 1.00 0.00 C ATOM 1975 C GLY A 130 -5.558 3.830 13.530 1.00 0.00 C ATOM 1976 O GLY A 130 -6.023 4.886 13.962 1.00 0.00 O ATOM 0 H GLY A 130 -3.320 1.842 13.048 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.759 2.947 15.308 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.562 3.732 14.296 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.977 3.254 12.408 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.033 3.837 11.590 1.00 0.00 C ATOM 1982 C HIS A 131 -8.411 3.486 12.150 1.00 0.00 C ATOM 1983 O HIS A 131 -8.621 2.382 12.651 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.906 3.346 10.146 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.016 4.203 9.300 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.445 5.363 8.689 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.711 4.063 8.964 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.445 5.899 8.014 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.382 5.131 8.165 1.00 0.00 N ATOM 0 H HIS A 131 -5.599 2.380 12.044 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.926 4.922 11.608 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.519 2.327 10.150 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.897 3.309 9.695 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.053 3.262 9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.489 6.811 7.437 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.464 5.303 7.755 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.369 4.427 12.076 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.732 4.214 12.580 1.00 0.00 C ATOM 2000 C PRO A 132 -11.441 3.062 11.875 1.00 0.00 C ATOM 2001 O PRO A 132 -12.234 2.343 12.485 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.445 5.540 12.287 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.616 6.207 11.244 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.202 5.772 11.500 1.00 0.00 C ATOM 0 HA PRO A 132 -10.730 3.944 13.636 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.462 5.370 11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.518 6.154 13.184 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.939 5.917 10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.708 7.291 11.306 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.615 5.748 10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.691 6.445 12.188 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.151 2.891 10.590 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.764 1.824 9.804 1.00 0.00 C ATOM 2014 C GLU A 133 -10.845 0.610 9.734 1.00 0.00 C ATOM 2015 O GLU A 133 -11.014 -0.258 8.878 1.00 0.00 O ATOM 2016 CB GLU A 133 -12.097 2.313 8.391 1.00 0.00 C ATOM 2017 CG GLU A 133 -10.913 2.917 7.650 1.00 0.00 C ATOM 2018 CD GLU A 133 -10.544 4.297 8.158 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -11.433 5.173 8.195 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -9.366 4.499 8.520 1.00 0.00 O ATOM 0 H GLU A 133 -10.497 3.476 10.070 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.690 1.532 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -12.487 1.477 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.892 3.057 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.052 2.256 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.147 2.977 6.587 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.868 0.567 10.636 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.916 -0.537 10.699 1.00 0.00 C ATOM 2029 C ALA A 134 -9.601 -1.882 10.498 1.00 0.00 C ATOM 2030 O ALA A 134 -9.057 -2.772 9.846 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.181 -0.518 12.031 1.00 0.00 C ATOM 0 H ALA A 134 -9.715 1.291 11.338 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.199 -0.405 9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.473 -1.346 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.643 0.424 12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.899 -0.619 12.844 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.794 -2.029 11.065 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.551 -3.269 10.943 1.00 0.00 C ATOM 2039 C ALA A 135 -11.678 -3.705 9.486 1.00 0.00 C ATOM 2040 O ALA A 135 -11.495 -4.877 9.160 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.928 -3.110 11.569 1.00 0.00 C ATOM 0 H ALA A 135 -11.257 -1.304 11.614 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.005 -4.047 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.482 -4.043 11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.821 -2.861 12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.469 -2.312 11.061 1.00 0.00 H new ATOM 2047 N ALA A 136 -12.000 -2.758 8.614 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.152 -3.050 7.194 1.00 0.00 C ATOM 2049 C ALA A 136 -10.804 -3.309 6.527 1.00 0.00 C ATOM 2050 O ALA A 136 -10.680 -4.187 5.674 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.876 -1.907 6.499 1.00 0.00 C ATOM 0 H ALA A 136 -12.161 -1.782 8.864 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.747 -3.959 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.984 -2.136 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.862 -1.777 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.301 -0.988 6.615 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.797 -2.535 6.919 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.458 -2.663 6.350 1.00 0.00 C ATOM 2059 C ILE A 137 -7.802 -4.011 6.657 1.00 0.00 C ATOM 2060 O ILE A 137 -7.359 -4.708 5.743 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.540 -1.533 6.854 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.086 -0.174 6.412 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.121 -1.735 6.344 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.373 1.001 7.045 1.00 0.00 C ATOM 0 H ILE A 137 -9.883 -1.810 7.631 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.585 -2.593 5.270 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.517 -1.558 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.006 -0.095 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.146 -0.120 6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.485 -0.928 6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.738 -2.690 6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.122 -1.731 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.814 1.931 6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.474 0.947 8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.317 0.973 6.778 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.735 -4.380 7.935 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.096 -5.635 8.328 1.00 0.00 C ATOM 2078 C TYR A 138 -7.846 -6.842 7.772 1.00 0.00 C ATOM 2079 O TYR A 138 -7.234 -7.844 7.406 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.973 -5.729 9.855 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.105 -6.471 10.532 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.293 -5.827 10.845 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.981 -7.816 10.862 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.328 -6.501 11.466 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.010 -8.497 11.483 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.182 -7.835 11.783 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.210 -8.509 12.401 1.00 0.00 O ATOM 0 H TYR A 138 -8.111 -3.834 8.710 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.093 -5.642 7.900 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.033 -6.223 10.101 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.920 -4.721 10.265 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.411 -4.782 10.600 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.064 -8.337 10.629 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.247 -5.985 11.702 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.897 -9.542 11.732 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.946 -9.440 12.553 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.170 -6.748 7.712 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.974 -7.843 7.186 1.00 0.00 C ATOM 2099 C ARG A 139 -9.809 -7.920 5.675 1.00 0.00 C ATOM 2100 O ARG A 139 -9.896 -8.994 5.081 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.452 -7.667 7.555 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.176 -6.619 6.727 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.656 -6.569 7.069 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.274 -7.892 7.019 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.511 -8.145 7.433 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.266 -7.168 7.920 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.998 -9.377 7.361 1.00 0.00 N ATOM 0 H ARG A 139 -9.704 -5.934 8.018 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.627 -8.775 7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.961 -8.623 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.523 -7.395 8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.727 -5.641 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.053 -6.842 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.784 -6.147 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -14.167 -5.904 6.373 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.724 -8.666 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.897 -6.219 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.215 -7.366 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.423 -10.132 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.948 -9.569 7.679 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.567 -6.764 5.063 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.373 -6.684 3.623 1.00 0.00 C ATOM 2123 C ALA A 140 -8.104 -7.420 3.212 1.00 0.00 C ATOM 2124 O ALA A 140 -8.044 -8.029 2.143 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.316 -5.234 3.176 1.00 0.00 C ATOM 0 H ALA A 140 -9.501 -5.868 5.546 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.221 -7.163 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.171 -5.191 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.250 -4.736 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.486 -4.732 3.674 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.090 -7.356 4.070 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.819 -8.018 3.804 1.00 0.00 C ATOM 2133 C ILE A 141 -5.790 -9.415 4.414 1.00 0.00 C ATOM 2134 O ILE A 141 -4.918 -10.224 4.096 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.635 -7.204 4.362 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.717 -7.124 5.888 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.619 -5.810 3.753 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.507 -6.482 6.529 1.00 0.00 C ATOM 0 H ILE A 141 -7.125 -6.852 4.956 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.722 -8.094 2.721 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.707 -7.708 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.607 -6.559 6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.839 -8.130 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.778 -5.246 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.519 -5.887 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.549 -5.296 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.637 -6.460 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.616 -7.059 6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.395 -5.464 6.157 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.749 -9.692 5.293 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.831 -10.991 5.952 1.00 0.00 C ATOM 2152 C ASP A 142 -7.398 -12.048 5.009 1.00 0.00 C ATOM 2153 O ASP A 142 -8.624 -12.280 5.050 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.697 -10.894 7.210 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.800 -12.216 7.947 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.901 -12.513 8.761 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.779 -12.954 7.708 1.00 0.00 O ATOM 2158 OXT ASP A 142 -6.610 -12.635 4.237 1.00 0.00 O ATOM 0 H ASP A 142 -7.480 -9.034 5.565 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.822 -11.290 6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.279 -10.141 7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.696 -10.556 6.934 1.00 0.00 H new