USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 70 ASN : amide:sc= 0.955 K(o=1.9,f=-3.9!) USER MOD Set 1.2: A 72 THR OG1 : rot -70:sc= 0.908 USER MOD Set 2.1: A 38 SER OG : rot -94:sc= 0.245 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.0369 X(o=0.21,f=0.48) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.171 USER MOD Set 3.2: A 34 THR OG1 : rot -98:sc= 0.176 USER MOD Single : A 13 GLN : amide:sc= 0.666 K(o=0.67,f=-6.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0875 X(o=-0.087,f=0) USER MOD Single : A 18 THR OG1 : rot 160:sc= -0.28 USER MOD Single : A 22 THR OG1 : rot -65:sc= 0.586 USER MOD Single : A 28 THR OG1 : rot -12:sc= 0.344 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.736 F(o=-1.6,f=-0.74) USER MOD Single : A 41 MET CE :methyl 133:sc= -0.0968 (180deg=-0.563) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.02 (180deg=0.982) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 110:sc= -1.49! USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.383 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0887 (180deg=-0.367) USER MOD Single : A 73 SER OG : rot -170:sc= 0.0416 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 151:sc= 0.907 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.8 F(o=-5.4!,f=-1.8) USER MOD Single : A 92 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.71) USER MOD Single : A 100 THR OG1 : rot -57:sc= 0.312 USER MOD Single : A 106 CYS SG : rot 0:sc= -7.17! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 10.790 -15.368 6.012 1.00 0.00 N ATOM 85 CA LEU A 6 11.180 -14.194 5.232 1.00 0.00 C ATOM 86 C LEU A 6 12.267 -14.539 4.197 1.00 0.00 C ATOM 87 O LEU A 6 13.460 -14.570 4.514 1.00 0.00 O ATOM 88 CB LEU A 6 11.643 -13.094 6.208 1.00 0.00 C ATOM 89 CG LEU A 6 10.689 -12.815 7.421 1.00 0.00 C ATOM 90 CD1 LEU A 6 11.264 -11.731 8.336 1.00 0.00 C ATOM 91 CD2 LEU A 6 9.246 -12.481 6.973 1.00 0.00 C ATOM 0 HA LEU A 6 10.325 -13.832 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.624 -13.368 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.769 -12.167 5.648 1.00 0.00 H new ATOM 0 HG LEU A 6 10.625 -13.738 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.582 -11.558 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.231 -12.055 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.389 -10.807 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.626 -12.296 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.257 -11.592 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.837 -13.320 6.410 1.00 0.00 H new ATOM 103 N ARG A 7 11.820 -14.857 2.967 1.00 0.00 N ATOM 104 CA ARG A 7 12.699 -15.278 1.850 1.00 0.00 C ATOM 105 C ARG A 7 12.975 -14.121 0.873 1.00 0.00 C ATOM 106 O ARG A 7 13.985 -14.128 0.158 1.00 0.00 O ATOM 107 CB ARG A 7 12.047 -16.457 1.078 1.00 0.00 C ATOM 108 CG ARG A 7 11.807 -17.717 1.932 1.00 0.00 C ATOM 109 CD ARG A 7 11.313 -18.915 1.101 1.00 0.00 C ATOM 110 NE ARG A 7 9.998 -18.674 0.481 1.00 0.00 N ATOM 111 CZ ARG A 7 9.418 -19.451 -0.455 1.00 0.00 C ATOM 112 NH1 ARG A 7 10.029 -20.532 -0.922 1.00 0.00 N ATOM 113 NH2 ARG A 7 8.213 -19.137 -0.913 1.00 0.00 N ATOM 0 H ARG A 7 10.832 -14.830 2.715 1.00 0.00 H new ATOM 0 HA ARG A 7 13.649 -15.593 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.094 -16.124 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.684 -16.720 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.733 -17.989 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.074 -17.491 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.042 -19.137 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.253 -19.795 1.741 1.00 0.00 H new ATOM 0 HE ARG A 7 9.483 -17.848 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.953 -20.787 -0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.575 -21.108 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.731 -18.312 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.769 -19.721 -1.621 1.00 0.00 H new ATOM 127 N ASP A 8 12.056 -13.152 0.836 1.00 0.00 N ATOM 128 CA ASP A 8 12.070 -12.010 -0.096 1.00 0.00 C ATOM 129 C ASP A 8 12.430 -10.727 0.666 1.00 0.00 C ATOM 130 O ASP A 8 12.750 -10.774 1.861 1.00 0.00 O ATOM 131 CB ASP A 8 10.663 -11.855 -0.754 1.00 0.00 C ATOM 132 CG ASP A 8 10.148 -13.147 -1.408 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.825 -13.673 -2.316 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.076 -13.653 -1.001 1.00 0.00 O ATOM 0 H ASP A 8 11.257 -13.136 1.470 1.00 0.00 H new ATOM 0 HA ASP A 8 12.813 -12.186 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.950 -11.531 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.707 -11.068 -1.507 1.00 0.00 H new ATOM 139 N ARG A 9 12.345 -9.583 -0.028 1.00 0.00 N ATOM 140 CA ARG A 9 12.577 -8.257 0.564 1.00 0.00 C ATOM 141 C ARG A 9 11.681 -7.236 -0.161 1.00 0.00 C ATOM 142 O ARG A 9 11.647 -7.221 -1.395 1.00 0.00 O ATOM 143 CB ARG A 9 14.079 -7.876 0.427 1.00 0.00 C ATOM 144 CG ARG A 9 14.537 -6.676 1.272 1.00 0.00 C ATOM 145 CD ARG A 9 15.971 -6.232 0.927 1.00 0.00 C ATOM 146 NE ARG A 9 16.059 -5.645 -0.431 1.00 0.00 N ATOM 147 CZ ARG A 9 17.186 -5.190 -1.006 1.00 0.00 C ATOM 148 NH1 ARG A 9 18.348 -5.279 -0.382 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.140 -4.633 -2.205 1.00 0.00 N ATOM 0 H ARG A 9 12.112 -9.551 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 9 12.328 -8.264 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.682 -8.742 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.287 -7.661 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.853 -5.842 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.484 -6.937 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.311 -5.501 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.642 -7.088 0.996 1.00 0.00 H new ATOM 0 HE ARG A 9 15.197 -5.581 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.397 -5.697 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.195 -4.930 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.249 -4.548 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.996 -4.288 -2.640 1.00 0.00 H new ATOM 163 N ILE A 10 10.955 -6.389 0.604 1.00 0.00 N ATOM 164 CA ILE A 10 9.975 -5.422 0.054 1.00 0.00 C ATOM 165 C ILE A 10 10.225 -4.013 0.627 1.00 0.00 C ATOM 166 O ILE A 10 10.743 -3.879 1.741 1.00 0.00 O ATOM 167 CB ILE A 10 8.468 -5.859 0.321 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.953 -5.521 1.774 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.230 -7.356 -0.007 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.745 -6.097 2.927 1.00 0.00 C ATOM 0 H ILE A 10 11.032 -6.356 1.621 1.00 0.00 H new ATOM 0 HA ILE A 10 10.122 -5.407 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 10 7.876 -5.255 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.932 -4.437 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.924 -5.870 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.189 -7.610 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.456 -7.539 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.878 -7.972 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.290 -5.792 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.747 -7.185 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.770 -5.729 2.884 1.00 0.00 H new ATOM 182 N THR A 11 9.834 -2.989 -0.135 1.00 0.00 N ATOM 183 CA THR A 11 9.972 -1.576 0.245 1.00 0.00 C ATOM 184 C THR A 11 8.620 -1.019 0.699 1.00 0.00 C ATOM 185 O THR A 11 7.631 -1.111 -0.036 1.00 0.00 O ATOM 186 CB THR A 11 10.509 -0.744 -0.959 1.00 0.00 C ATOM 187 OG1 THR A 11 11.732 -1.337 -1.408 1.00 0.00 O ATOM 188 CG2 THR A 11 10.762 0.731 -0.579 1.00 0.00 C ATOM 0 H THR A 11 9.404 -3.118 -1.051 1.00 0.00 H new ATOM 0 HA THR A 11 10.682 -1.504 1.069 1.00 0.00 H new ATOM 0 HB THR A 11 9.756 -0.752 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.084 -0.827 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.135 1.272 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.830 1.185 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.500 0.779 0.222 1.00 0.00 H new ATOM 196 N ILE A 12 8.589 -0.465 1.919 1.00 0.00 N ATOM 197 CA ILE A 12 7.388 0.163 2.484 1.00 0.00 C ATOM 198 C ILE A 12 7.255 1.600 1.964 1.00 0.00 C ATOM 199 O ILE A 12 8.104 2.448 2.225 1.00 0.00 O ATOM 200 CB ILE A 12 7.407 0.141 4.053 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.589 -1.322 4.574 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.131 0.797 4.647 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.554 -2.325 4.084 1.00 0.00 C ATOM 0 H ILE A 12 9.397 -0.440 2.542 1.00 0.00 H new ATOM 0 HA ILE A 12 6.521 -0.414 2.162 1.00 0.00 H new ATOM 0 HB ILE A 12 8.258 0.733 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.578 -1.674 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.567 -1.307 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.178 0.764 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.068 1.834 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.250 0.254 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.772 -3.307 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.561 -2.007 4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.587 -2.380 2.996 1.00 0.00 H new ATOM 215 N GLN A 13 6.182 1.840 1.220 1.00 0.00 N ATOM 216 CA GLN A 13 5.852 3.135 0.630 1.00 0.00 C ATOM 217 C GLN A 13 4.831 3.840 1.514 1.00 0.00 C ATOM 218 O GLN A 13 3.630 3.569 1.461 1.00 0.00 O ATOM 219 CB GLN A 13 5.339 2.964 -0.818 1.00 0.00 C ATOM 220 CG GLN A 13 6.360 2.307 -1.766 1.00 0.00 C ATOM 221 CD GLN A 13 5.865 2.204 -3.209 1.00 0.00 C ATOM 222 OE1 GLN A 13 4.673 2.067 -3.451 1.00 0.00 O ATOM 223 NE2 GLN A 13 6.775 2.313 -4.169 1.00 0.00 N ATOM 0 H GLN A 13 5.495 1.118 1.003 1.00 0.00 H new ATOM 0 HA GLN A 13 6.749 3.752 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.431 2.361 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.066 3.942 -1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.286 2.882 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.597 1.309 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.760 2.426 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.490 2.284 -5.148 1.00 0.00 H new ATOM 232 N THR A 14 5.370 4.709 2.343 1.00 0.00 N ATOM 233 CA THR A 14 4.620 5.508 3.302 1.00 0.00 C ATOM 234 C THR A 14 3.999 6.712 2.559 1.00 0.00 C ATOM 235 O THR A 14 4.646 7.286 1.673 1.00 0.00 O ATOM 236 CB THR A 14 5.579 5.964 4.450 1.00 0.00 C ATOM 237 OG1 THR A 14 6.502 4.896 4.757 1.00 0.00 O ATOM 238 CG2 THR A 14 4.813 6.326 5.723 1.00 0.00 C ATOM 0 H THR A 14 6.374 4.888 2.373 1.00 0.00 H new ATOM 0 HA THR A 14 3.814 4.928 3.752 1.00 0.00 H new ATOM 0 HB THR A 14 6.110 6.851 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.105 5.181 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.517 6.637 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.122 7.142 5.512 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.254 5.457 6.071 1.00 0.00 H new ATOM 246 N LEU A 15 2.747 7.090 2.890 1.00 0.00 N ATOM 247 CA LEU A 15 2.021 8.133 2.135 1.00 0.00 C ATOM 248 C LEU A 15 2.259 9.503 2.772 1.00 0.00 C ATOM 249 O LEU A 15 1.622 9.864 3.770 1.00 0.00 O ATOM 250 CB LEU A 15 0.503 7.821 2.046 1.00 0.00 C ATOM 251 CG LEU A 15 -0.361 8.834 1.215 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.200 9.043 -0.207 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.833 8.385 1.164 1.00 0.00 C ATOM 0 H LEU A 15 2.221 6.693 3.668 1.00 0.00 H new ATOM 0 HA LEU A 15 2.409 8.146 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.381 6.829 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.102 7.777 3.058 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.311 9.796 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.429 9.751 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.215 9.435 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.211 8.091 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.412 9.102 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.898 7.403 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.232 8.332 2.177 1.00 0.00 H new ATOM 265 N LYS A 16 3.212 10.243 2.200 1.00 0.00 N ATOM 266 CA LYS A 16 3.571 11.590 2.640 1.00 0.00 C ATOM 267 C LYS A 16 2.696 12.619 1.911 1.00 0.00 C ATOM 268 O LYS A 16 2.847 12.823 0.704 1.00 0.00 O ATOM 269 CB LYS A 16 5.077 11.851 2.359 1.00 0.00 C ATOM 270 CG LYS A 16 5.603 13.207 2.878 1.00 0.00 C ATOM 271 CD LYS A 16 7.107 13.413 2.572 1.00 0.00 C ATOM 272 CE LYS A 16 7.670 14.710 3.174 1.00 0.00 C ATOM 273 NZ LYS A 16 9.128 14.837 2.932 1.00 0.00 N ATOM 0 H LYS A 16 3.763 9.917 1.406 1.00 0.00 H new ATOM 0 HA LYS A 16 3.399 11.683 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.662 11.051 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.247 11.798 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.029 14.014 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.442 13.268 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.671 12.564 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.254 13.426 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.153 15.567 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.476 14.728 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.474 15.723 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.623 14.032 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.311 14.845 1.908 1.00 0.00 H new ATOM 287 N GLN A 17 1.755 13.234 2.640 1.00 0.00 N ATOM 288 CA GLN A 17 0.907 14.310 2.111 1.00 0.00 C ATOM 289 C GLN A 17 1.579 15.658 2.400 1.00 0.00 C ATOM 290 O GLN A 17 1.560 16.138 3.538 1.00 0.00 O ATOM 291 CB GLN A 17 -0.509 14.241 2.736 1.00 0.00 C ATOM 292 CG GLN A 17 -1.247 12.924 2.455 1.00 0.00 C ATOM 293 CD GLN A 17 -2.678 12.929 2.972 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.943 12.535 4.103 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.607 13.402 2.155 1.00 0.00 N ATOM 0 H GLN A 17 1.560 12.999 3.613 1.00 0.00 H new ATOM 0 HA GLN A 17 0.792 14.195 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.427 14.378 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.105 15.070 2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.254 12.739 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.701 12.101 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.350 13.721 1.221 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.579 13.447 2.460 1.00 0.00 H new ATOM 304 N THR A 18 2.225 16.227 1.373 1.00 0.00 N ATOM 305 CA THR A 18 2.950 17.503 1.472 1.00 0.00 C ATOM 306 C THR A 18 2.187 18.584 0.696 1.00 0.00 C ATOM 307 O THR A 18 1.934 18.416 -0.488 1.00 0.00 O ATOM 308 CB THR A 18 4.405 17.364 0.908 1.00 0.00 C ATOM 309 OG1 THR A 18 5.057 16.254 1.548 1.00 0.00 O ATOM 310 CG2 THR A 18 5.243 18.639 1.135 1.00 0.00 C ATOM 0 H THR A 18 2.260 15.812 0.442 1.00 0.00 H new ATOM 0 HA THR A 18 3.019 17.786 2.522 1.00 0.00 H new ATOM 0 HB THR A 18 4.328 17.202 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.815 15.960 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.243 18.494 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.766 19.482 0.635 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.313 18.843 2.203 1.00 0.00 H new ATOM 318 N ARG A 19 1.803 19.677 1.367 1.00 0.00 N ATOM 319 CA ARG A 19 1.100 20.793 0.719 1.00 0.00 C ATOM 320 C ARG A 19 2.103 21.679 -0.062 1.00 0.00 C ATOM 321 O ARG A 19 3.302 21.682 0.230 1.00 0.00 O ATOM 322 CB ARG A 19 0.290 21.585 1.780 1.00 0.00 C ATOM 323 CG ARG A 19 -0.659 22.668 1.202 1.00 0.00 C ATOM 324 CD ARG A 19 -1.675 23.215 2.221 1.00 0.00 C ATOM 325 NE ARG A 19 -1.030 23.840 3.390 1.00 0.00 N ATOM 326 CZ ARG A 19 -1.566 24.815 4.139 1.00 0.00 C ATOM 327 NH1 ARG A 19 -2.724 25.383 3.799 1.00 0.00 N ATOM 328 NH2 ARG A 19 -0.926 25.232 5.220 1.00 0.00 N ATOM 0 H ARG A 19 1.968 19.813 2.364 1.00 0.00 H new ATOM 0 HA ARG A 19 0.388 20.412 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.300 20.880 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.988 22.064 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.061 23.495 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.200 22.248 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.316 23.947 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.319 22.402 2.558 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.103 23.504 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.215 25.077 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.119 26.123 4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.033 24.812 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.326 25.973 5.796 1.00 0.00 H new ATOM 342 N ASP A 20 1.591 22.430 -1.046 1.00 0.00 N ATOM 343 CA ASP A 20 2.416 23.212 -1.994 1.00 0.00 C ATOM 344 C ASP A 20 2.367 24.702 -1.599 1.00 0.00 C ATOM 345 O ASP A 20 1.527 25.103 -0.782 1.00 0.00 O ATOM 346 CB ASP A 20 1.872 23.001 -3.433 1.00 0.00 C ATOM 347 CG ASP A 20 2.736 23.625 -4.544 1.00 0.00 C ATOM 348 OD1 ASP A 20 3.719 22.996 -4.974 1.00 0.00 O ATOM 349 OD2 ASP A 20 2.448 24.762 -4.972 1.00 0.00 O ATOM 0 H ASP A 20 0.588 22.517 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 20 3.453 22.879 -1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.781 21.931 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.868 23.421 -3.493 1.00 0.00 H new ATOM 354 N ILE A 21 3.247 25.524 -2.212 1.00 0.00 N ATOM 355 CA ILE A 21 3.306 26.990 -2.007 1.00 0.00 C ATOM 356 C ILE A 21 2.053 27.725 -2.567 1.00 0.00 C ATOM 357 O ILE A 21 1.887 28.924 -2.355 1.00 0.00 O ATOM 358 CB ILE A 21 4.638 27.560 -2.653 1.00 0.00 C ATOM 359 CG1 ILE A 21 4.939 29.022 -2.176 1.00 0.00 C ATOM 360 CG2 ILE A 21 4.602 27.460 -4.203 1.00 0.00 C ATOM 361 CD1 ILE A 21 6.252 29.615 -2.676 1.00 0.00 C ATOM 0 H ILE A 21 3.946 25.184 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 21 3.312 27.178 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 21 5.460 26.936 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.122 29.667 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.945 29.037 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.529 27.859 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.493 26.416 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.758 28.035 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.364 30.628 -2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.084 29.001 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.248 29.641 -3.766 1.00 0.00 H new ATOM 373 N THR A 22 1.143 26.993 -3.232 1.00 0.00 N ATOM 374 CA THR A 22 -0.157 27.531 -3.702 1.00 0.00 C ATOM 375 C THR A 22 -1.280 26.878 -2.870 1.00 0.00 C ATOM 376 O THR A 22 -2.324 27.481 -2.618 1.00 0.00 O ATOM 377 CB THR A 22 -0.390 27.231 -5.220 1.00 0.00 C ATOM 378 OG1 THR A 22 -0.269 25.820 -5.469 1.00 0.00 O ATOM 379 CG2 THR A 22 0.605 27.985 -6.113 1.00 0.00 C ATOM 0 H THR A 22 1.283 26.009 -3.462 1.00 0.00 H new ATOM 0 HA THR A 22 -0.156 28.614 -3.576 1.00 0.00 H new ATOM 0 HB THR A 22 -1.396 27.572 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.651 25.534 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.408 27.748 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.493 29.058 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.622 27.685 -5.859 1.00 0.00 H new ATOM 387 N GLY A 23 -1.004 25.626 -2.457 1.00 0.00 N ATOM 388 CA GLY A 23 -1.867 24.862 -1.557 1.00 0.00 C ATOM 389 C GLY A 23 -2.436 23.593 -2.155 1.00 0.00 C ATOM 390 O GLY A 23 -3.534 23.172 -1.777 1.00 0.00 O ATOM 0 H GLY A 23 -0.167 25.119 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.299 24.604 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.692 25.499 -1.238 1.00 0.00 H new ATOM 394 N GLU A 24 -1.690 22.961 -3.070 1.00 0.00 N ATOM 395 CA GLU A 24 -2.022 21.632 -3.614 1.00 0.00 C ATOM 396 C GLU A 24 -1.584 20.558 -2.607 1.00 0.00 C ATOM 397 O GLU A 24 -0.559 20.729 -1.946 1.00 0.00 O ATOM 398 CB GLU A 24 -1.252 21.421 -4.942 1.00 0.00 C ATOM 399 CG GLU A 24 -1.578 22.425 -6.065 1.00 0.00 C ATOM 400 CD GLU A 24 -2.999 22.276 -6.628 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.278 21.233 -7.261 1.00 0.00 O ATOM 402 OE2 GLU A 24 -3.839 23.181 -6.446 1.00 0.00 O ATOM 0 H GLU A 24 -0.834 23.357 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.095 21.561 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.183 21.470 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.460 20.415 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.452 23.438 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.860 22.298 -6.875 1.00 0.00 H new ATOM 409 N ILE A 25 -2.346 19.459 -2.486 1.00 0.00 N ATOM 410 CA ILE A 25 -1.958 18.330 -1.617 1.00 0.00 C ATOM 411 C ILE A 25 -1.245 17.257 -2.458 1.00 0.00 C ATOM 412 O ILE A 25 -1.883 16.487 -3.192 1.00 0.00 O ATOM 413 CB ILE A 25 -3.180 17.705 -0.841 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.996 18.816 -0.098 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.703 16.614 0.159 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.202 19.670 0.880 1.00 0.00 C ATOM 0 H ILE A 25 -3.231 19.326 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.280 18.719 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.836 17.232 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.446 19.472 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.814 18.341 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.564 16.198 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.191 15.820 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.019 17.058 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.862 20.407 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.774 19.034 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.400 20.182 0.348 1.00 0.00 H new ATOM 428 N LEU A 26 0.090 17.243 -2.353 1.00 0.00 N ATOM 429 CA LEU A 26 0.949 16.282 -3.041 1.00 0.00 C ATOM 430 C LEU A 26 0.985 14.990 -2.220 1.00 0.00 C ATOM 431 O LEU A 26 1.796 14.849 -1.291 1.00 0.00 O ATOM 432 CB LEU A 26 2.402 16.834 -3.253 1.00 0.00 C ATOM 433 CG LEU A 26 2.591 18.018 -4.264 1.00 0.00 C ATOM 434 CD1 LEU A 26 1.847 19.296 -3.827 1.00 0.00 C ATOM 435 CD2 LEU A 26 4.091 18.309 -4.478 1.00 0.00 C ATOM 0 H LEU A 26 0.607 17.909 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 26 0.538 16.093 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.783 17.156 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.030 16.007 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 26 2.149 17.704 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.012 20.083 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.780 19.088 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.222 19.622 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.205 19.133 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.549 18.579 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.581 17.421 -4.877 1.00 0.00 H new ATOM 447 N GLU A 27 0.058 14.077 -2.532 1.00 0.00 N ATOM 448 CA GLU A 27 0.053 12.736 -1.949 1.00 0.00 C ATOM 449 C GLU A 27 1.085 11.901 -2.696 1.00 0.00 C ATOM 450 O GLU A 27 0.874 11.509 -3.845 1.00 0.00 O ATOM 451 CB GLU A 27 -1.348 12.085 -2.024 1.00 0.00 C ATOM 452 CG GLU A 27 -2.410 12.818 -1.203 1.00 0.00 C ATOM 453 CD GLU A 27 -3.781 12.128 -1.223 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.016 11.226 -0.394 1.00 0.00 O ATOM 455 OE2 GLU A 27 -4.629 12.485 -2.067 1.00 0.00 O ATOM 0 H GLU A 27 -0.702 14.247 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 27 0.307 12.795 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.667 12.049 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.279 11.054 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.068 12.900 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.517 13.833 -1.585 1.00 0.00 H new ATOM 462 N THR A 28 2.208 11.666 -2.026 1.00 0.00 N ATOM 463 CA THR A 28 3.401 11.047 -2.616 1.00 0.00 C ATOM 464 C THR A 28 3.780 9.817 -1.810 1.00 0.00 C ATOM 465 O THR A 28 3.460 9.715 -0.622 1.00 0.00 O ATOM 466 CB THR A 28 4.604 12.049 -2.669 1.00 0.00 C ATOM 467 OG1 THR A 28 4.812 12.637 -1.377 1.00 0.00 O ATOM 468 CG2 THR A 28 4.377 13.151 -3.716 1.00 0.00 C ATOM 0 H THR A 28 2.322 11.903 -1.040 1.00 0.00 H new ATOM 0 HA THR A 28 3.167 10.760 -3.641 1.00 0.00 H new ATOM 0 HB THR A 28 5.492 11.488 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.046 12.437 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.232 13.827 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.263 12.699 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.475 13.710 -3.466 1.00 0.00 H new ATOM 476 N TRP A 29 4.469 8.888 -2.456 1.00 0.00 N ATOM 477 CA TRP A 29 4.835 7.609 -1.858 1.00 0.00 C ATOM 478 C TRP A 29 6.341 7.604 -1.613 1.00 0.00 C ATOM 479 O TRP A 29 7.135 7.372 -2.533 1.00 0.00 O ATOM 480 CB TRP A 29 4.378 6.459 -2.781 1.00 0.00 C ATOM 481 CG TRP A 29 2.878 6.440 -2.957 1.00 0.00 C ATOM 482 CD1 TRP A 29 2.151 6.951 -3.994 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.930 5.930 -2.017 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.813 6.752 -3.771 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.653 6.132 -2.560 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.045 5.307 -0.778 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.505 5.735 -1.900 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.903 4.918 -0.123 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.362 5.132 -0.680 1.00 0.00 C ATOM 0 H TRP A 29 4.793 9.000 -3.417 1.00 0.00 H new ATOM 0 HA TRP A 29 4.337 7.463 -0.899 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.856 6.563 -3.755 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.707 5.507 -2.365 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.569 7.440 -4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.060 7.022 -4.404 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.016 5.132 -0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.481 5.897 -2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.983 4.437 0.841 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.241 4.816 -0.138 1.00 0.00 H new ATOM 500 N GLU A 30 6.715 7.934 -0.370 1.00 0.00 N ATOM 501 CA GLU A 30 8.115 7.969 0.055 1.00 0.00 C ATOM 502 C GLU A 30 8.571 6.536 0.342 1.00 0.00 C ATOM 503 O GLU A 30 7.863 5.779 1.021 1.00 0.00 O ATOM 504 CB GLU A 30 8.313 8.886 1.299 1.00 0.00 C ATOM 505 CG GLU A 30 7.495 8.499 2.557 1.00 0.00 C ATOM 506 CD GLU A 30 7.904 9.251 3.835 1.00 0.00 C ATOM 507 OE1 GLU A 30 7.827 10.487 3.848 1.00 0.00 O ATOM 508 OE2 GLU A 30 8.320 8.612 4.826 1.00 0.00 O ATOM 0 H GLU A 30 6.055 8.183 0.366 1.00 0.00 H new ATOM 0 HA GLU A 30 8.724 8.395 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.371 8.887 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.054 9.907 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.439 8.687 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.602 7.428 2.730 1.00 0.00 H new ATOM 515 N ASP A 31 9.724 6.147 -0.220 1.00 0.00 N ATOM 516 CA ASP A 31 10.302 4.828 0.043 1.00 0.00 C ATOM 517 C ASP A 31 10.868 4.849 1.470 1.00 0.00 C ATOM 518 O ASP A 31 11.609 5.770 1.846 1.00 0.00 O ATOM 519 CB ASP A 31 11.367 4.435 -1.026 1.00 0.00 C ATOM 520 CG ASP A 31 12.660 5.263 -0.983 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.609 6.468 -1.318 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.723 4.722 -0.608 1.00 0.00 O ATOM 0 H ASP A 31 10.271 6.727 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 31 9.536 4.056 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.621 3.383 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.921 4.534 -2.016 1.00 0.00 H new ATOM 527 N GLY A 32 10.466 3.868 2.272 1.00 0.00 N ATOM 528 CA GLY A 32 10.699 3.879 3.707 1.00 0.00 C ATOM 529 C GLY A 32 11.741 2.862 4.083 1.00 0.00 C ATOM 530 O GLY A 32 12.915 3.021 3.730 1.00 0.00 O ATOM 0 H GLY A 32 9.968 3.042 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.022 4.872 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.769 3.666 4.233 1.00 0.00 H new ATOM 534 N HIS A 33 11.314 1.793 4.771 1.00 0.00 N ATOM 535 CA HIS A 33 12.215 0.715 5.198 1.00 0.00 C ATOM 536 C HIS A 33 11.979 -0.498 4.309 1.00 0.00 C ATOM 537 O HIS A 33 10.834 -0.900 4.078 1.00 0.00 O ATOM 538 CB HIS A 33 11.988 0.359 6.682 1.00 0.00 C ATOM 539 CG HIS A 33 12.926 -0.693 7.218 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.710 -1.972 7.592 1.00 0.00 N flip ATOM 541 CD2 HIS A 33 14.278 -0.479 7.377 1.00 0.00 C flip ATOM 542 CE1 HIS A 33 13.921 -2.504 7.951 1.00 0.00 C flip ATOM 543 NE2 HIS A 33 14.851 -1.584 7.809 1.00 0.00 N flip ATOM 0 H HIS A 33 10.342 1.653 5.045 1.00 0.00 H new ATOM 0 HA HIS A 33 13.249 1.046 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.095 1.263 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.962 0.013 6.808 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.789 0.451 7.178 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.085 -3.515 8.295 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.845 -1.706 8.001 1.00 0.00 H new ATOM 552 N THR A 34 13.066 -1.078 3.815 1.00 0.00 N ATOM 553 CA THR A 34 13.022 -2.235 2.933 1.00 0.00 C ATOM 554 C THR A 34 13.427 -3.479 3.743 1.00 0.00 C ATOM 555 O THR A 34 14.621 -3.741 3.939 1.00 0.00 O ATOM 556 CB THR A 34 13.957 -2.000 1.695 1.00 0.00 C ATOM 557 OG1 THR A 34 13.595 -0.757 1.066 1.00 0.00 O ATOM 558 CG2 THR A 34 13.852 -3.118 0.651 1.00 0.00 C ATOM 0 H THR A 34 14.012 -0.754 4.018 1.00 0.00 H new ATOM 0 HA THR A 34 12.015 -2.389 2.544 1.00 0.00 H new ATOM 0 HB THR A 34 14.983 -1.983 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.017 -0.937 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.521 -2.902 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.134 -4.068 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.827 -3.180 0.287 1.00 0.00 H new ATOM 566 N LEU A 35 12.414 -4.207 4.266 1.00 0.00 N ATOM 567 CA LEU A 35 12.634 -5.352 5.189 1.00 0.00 C ATOM 568 C LEU A 35 12.336 -6.695 4.526 1.00 0.00 C ATOM 569 O LEU A 35 11.828 -6.763 3.407 1.00 0.00 O ATOM 570 CB LEU A 35 11.816 -5.226 6.522 1.00 0.00 C ATOM 571 CG LEU A 35 10.243 -5.294 6.467 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.649 -5.526 7.874 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.627 -4.025 5.837 1.00 0.00 C ATOM 0 H LEU A 35 11.431 -4.023 4.065 1.00 0.00 H new ATOM 0 HA LEU A 35 13.694 -5.316 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.155 -6.016 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.088 -4.277 6.985 1.00 0.00 H new ATOM 0 HG LEU A 35 9.988 -6.141 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.562 -5.569 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.025 -6.466 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.940 -4.707 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.541 -4.117 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.908 -3.153 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.997 -3.908 4.818 1.00 0.00 H new ATOM 585 N TRP A 36 12.715 -7.753 5.241 1.00 0.00 N ATOM 586 CA TRP A 36 12.487 -9.141 4.839 1.00 0.00 C ATOM 587 C TRP A 36 10.981 -9.520 4.913 1.00 0.00 C ATOM 588 O TRP A 36 10.298 -9.226 5.904 1.00 0.00 O ATOM 589 CB TRP A 36 13.352 -10.067 5.731 1.00 0.00 C ATOM 590 CG TRP A 36 14.811 -9.670 5.801 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.519 -9.292 6.914 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.727 -9.577 4.699 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.809 -8.990 6.568 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.962 -9.157 5.218 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.624 -9.824 3.331 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.078 -8.965 4.412 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.725 -9.632 2.536 1.00 0.00 C ATOM 598 CH2 TRP A 36 17.942 -9.209 3.075 1.00 0.00 C ATOM 0 H TRP A 36 13.199 -7.668 6.135 1.00 0.00 H new ATOM 0 HA TRP A 36 12.782 -9.266 3.797 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.939 -10.072 6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.282 -11.087 5.353 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.118 -9.240 7.915 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.539 -8.689 7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.691 -10.161 2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.018 -8.635 4.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.649 -9.811 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.792 -9.072 2.422 1.00 0.00 H new ATOM 609 N ALA A 37 10.493 -10.167 3.835 1.00 0.00 N ATOM 610 CA ALA A 37 9.087 -10.620 3.712 1.00 0.00 C ATOM 611 C ALA A 37 8.982 -12.012 3.093 1.00 0.00 C ATOM 612 O ALA A 37 9.957 -12.561 2.617 1.00 0.00 O ATOM 613 CB ALA A 37 8.280 -9.640 2.864 1.00 0.00 C ATOM 0 H ALA A 37 11.064 -10.392 3.020 1.00 0.00 H new ATOM 0 HA ALA A 37 8.682 -10.661 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.251 -9.989 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.294 -8.656 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.718 -9.574 1.868 1.00 0.00 H new ATOM 619 N SER A 38 7.784 -12.590 3.163 1.00 0.00 N ATOM 620 CA SER A 38 7.360 -13.710 2.345 1.00 0.00 C ATOM 621 C SER A 38 6.125 -13.227 1.582 1.00 0.00 C ATOM 622 O SER A 38 5.007 -13.232 2.118 1.00 0.00 O ATOM 623 CB SER A 38 7.028 -14.910 3.254 1.00 0.00 C ATOM 624 OG SER A 38 6.670 -16.060 2.510 1.00 0.00 O ATOM 0 H SER A 38 7.063 -12.277 3.813 1.00 0.00 H new ATOM 0 HA SER A 38 8.134 -14.038 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.890 -15.138 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.210 -14.642 3.922 1.00 0.00 H new ATOM 0 HG SER A 38 5.695 -16.102 2.422 1.00 0.00 H new ATOM 630 N VAL A 39 6.335 -12.729 0.356 1.00 0.00 N ATOM 631 CA VAL A 39 5.266 -12.114 -0.439 1.00 0.00 C ATOM 632 C VAL A 39 4.663 -13.178 -1.376 1.00 0.00 C ATOM 633 O VAL A 39 5.140 -13.424 -2.494 1.00 0.00 O ATOM 634 CB VAL A 39 5.783 -10.825 -1.202 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.062 -11.097 -2.038 1.00 0.00 C ATOM 636 CG2 VAL A 39 4.670 -10.184 -2.067 1.00 0.00 C ATOM 0 H VAL A 39 7.243 -12.741 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 39 4.471 -11.759 0.217 1.00 0.00 H new ATOM 0 HB VAL A 39 6.060 -10.106 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.371 -10.180 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.861 -11.438 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.853 -11.865 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.065 -9.303 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.325 -10.905 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.836 -9.892 -1.429 1.00 0.00 H new ATOM 646 N ASN A 40 3.624 -13.860 -0.863 1.00 0.00 N ATOM 647 CA ASN A 40 3.001 -15.019 -1.513 1.00 0.00 C ATOM 648 C ASN A 40 1.649 -14.612 -2.089 1.00 0.00 C ATOM 649 O ASN A 40 0.757 -14.199 -1.342 1.00 0.00 O ATOM 650 CB ASN A 40 2.797 -16.189 -0.493 1.00 0.00 C ATOM 651 CG ASN A 40 4.019 -16.515 0.374 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.880 -16.978 1.509 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.219 -16.262 -0.125 1.00 0.00 N ATOM 0 H ASN A 40 3.190 -13.616 0.027 1.00 0.00 H new ATOM 0 HA ASN A 40 3.660 -15.363 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.962 -15.938 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.512 -17.085 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.053 -16.450 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.310 -15.879 -1.066 1.00 0.00 H new ATOM 660 N MET A 41 1.498 -14.723 -3.413 1.00 0.00 N ATOM 661 CA MET A 41 0.199 -14.513 -4.072 1.00 0.00 C ATOM 662 C MET A 41 -0.754 -15.647 -3.659 1.00 0.00 C ATOM 663 O MET A 41 -0.320 -16.800 -3.521 1.00 0.00 O ATOM 664 CB MET A 41 0.363 -14.471 -5.608 1.00 0.00 C ATOM 665 CG MET A 41 1.351 -13.408 -6.111 1.00 0.00 C ATOM 666 SD MET A 41 1.364 -13.232 -7.907 1.00 0.00 S ATOM 667 CE MET A 41 -0.296 -12.626 -8.226 1.00 0.00 C ATOM 0 H MET A 41 2.258 -14.957 -4.052 1.00 0.00 H new ATOM 0 HA MET A 41 -0.216 -13.554 -3.760 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.695 -15.450 -5.953 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.611 -14.287 -6.061 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.099 -12.447 -5.661 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.354 -13.666 -5.772 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.248 -11.775 -8.906 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.892 -13.419 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.756 -12.315 -7.288 1.00 0.00 H new ATOM 677 N VAL A 42 -2.036 -15.313 -3.443 1.00 0.00 N ATOM 678 CA VAL A 42 -3.041 -16.279 -2.955 1.00 0.00 C ATOM 679 C VAL A 42 -3.311 -17.371 -4.008 1.00 0.00 C ATOM 680 O VAL A 42 -3.110 -17.154 -5.211 1.00 0.00 O ATOM 681 CB VAL A 42 -4.397 -15.583 -2.546 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.152 -14.468 -1.500 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.179 -15.053 -3.781 1.00 0.00 C ATOM 0 H VAL A 42 -2.406 -14.375 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.621 -16.737 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.027 -16.342 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.102 -14.003 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.697 -14.899 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.485 -13.715 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.105 -14.582 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.569 -14.322 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.412 -15.883 -4.448 1.00 0.00 H new ATOM 693 N SER A 43 -3.763 -18.535 -3.542 1.00 0.00 N ATOM 694 CA SER A 43 -4.066 -19.681 -4.407 1.00 0.00 C ATOM 695 C SER A 43 -5.405 -19.470 -5.150 1.00 0.00 C ATOM 696 O SER A 43 -6.220 -18.616 -4.762 1.00 0.00 O ATOM 697 CB SER A 43 -4.120 -20.957 -3.539 1.00 0.00 C ATOM 698 OG SER A 43 -2.942 -21.111 -2.758 1.00 0.00 O ATOM 0 H SER A 43 -3.931 -18.713 -2.552 1.00 0.00 H new ATOM 0 HA SER A 43 -3.285 -19.783 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.989 -20.914 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.248 -21.829 -4.181 1.00 0.00 H new ATOM 0 HG SER A 43 -3.011 -21.927 -2.220 1.00 0.00 H new ATOM 704 N SER A 44 -5.623 -20.266 -6.212 1.00 0.00 N ATOM 705 CA SER A 44 -6.872 -20.250 -6.992 1.00 0.00 C ATOM 706 C SER A 44 -8.064 -20.660 -6.108 1.00 0.00 C ATOM 707 O SER A 44 -9.156 -20.105 -6.233 1.00 0.00 O ATOM 708 CB SER A 44 -6.740 -21.192 -8.206 1.00 0.00 C ATOM 709 OG SER A 44 -5.579 -20.876 -8.961 1.00 0.00 O ATOM 0 H SER A 44 -4.937 -20.939 -6.553 1.00 0.00 H new ATOM 0 HA SER A 44 -7.054 -19.238 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.689 -22.226 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.625 -21.107 -8.837 1.00 0.00 H new ATOM 0 HG SER A 44 -5.511 -21.485 -9.726 1.00 0.00 H new ATOM 715 N LYS A 45 -7.803 -21.603 -5.181 1.00 0.00 N ATOM 716 CA LYS A 45 -8.799 -22.090 -4.215 1.00 0.00 C ATOM 717 C LYS A 45 -9.229 -20.984 -3.239 1.00 0.00 C ATOM 718 O LYS A 45 -10.342 -21.017 -2.727 1.00 0.00 O ATOM 719 CB LYS A 45 -8.221 -23.291 -3.422 1.00 0.00 C ATOM 720 CG LYS A 45 -7.111 -22.917 -2.404 1.00 0.00 C ATOM 721 CD LYS A 45 -6.468 -24.138 -1.735 1.00 0.00 C ATOM 722 CE LYS A 45 -5.389 -23.748 -0.704 1.00 0.00 C ATOM 723 NZ LYS A 45 -5.974 -23.223 0.555 1.00 0.00 N ATOM 0 H LYS A 45 -6.890 -22.048 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.679 -22.406 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.034 -23.783 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.818 -24.017 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.338 -22.341 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.535 -22.271 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.241 -24.727 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.022 -24.774 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.773 -24.619 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.731 -22.995 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.220 -23.087 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.441 -22.313 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.671 -23.901 0.923 1.00 0.00 H new ATOM 737 N GLU A 46 -8.322 -20.024 -2.978 1.00 0.00 N ATOM 738 CA GLU A 46 -8.572 -18.934 -2.030 1.00 0.00 C ATOM 739 C GLU A 46 -9.583 -17.948 -2.614 1.00 0.00 C ATOM 740 O GLU A 46 -10.465 -17.472 -1.907 1.00 0.00 O ATOM 741 CB GLU A 46 -7.252 -18.217 -1.669 1.00 0.00 C ATOM 742 CG GLU A 46 -6.231 -19.111 -0.945 1.00 0.00 C ATOM 743 CD GLU A 46 -6.732 -19.627 0.416 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.525 -18.936 1.430 1.00 0.00 O ATOM 745 OE2 GLU A 46 -7.349 -20.712 0.477 1.00 0.00 O ATOM 0 H GLU A 46 -7.402 -19.986 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.990 -19.355 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.799 -17.832 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.478 -17.357 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.988 -19.962 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.308 -18.550 -0.796 1.00 0.00 H new ATOM 752 N ALA A 47 -9.421 -17.659 -3.916 1.00 0.00 N ATOM 753 CA ALA A 47 -10.386 -16.869 -4.694 1.00 0.00 C ATOM 754 C ALA A 47 -11.794 -17.510 -4.655 1.00 0.00 C ATOM 755 O ALA A 47 -12.784 -16.847 -4.332 1.00 0.00 O ATOM 756 CB ALA A 47 -9.890 -16.751 -6.140 1.00 0.00 C ATOM 0 H ALA A 47 -8.615 -17.968 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.466 -15.876 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.602 -16.166 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.918 -16.257 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.797 -17.746 -6.575 1.00 0.00 H new ATOM 762 N ILE A 48 -11.839 -18.814 -4.999 1.00 0.00 N ATOM 763 CA ILE A 48 -13.077 -19.629 -5.022 1.00 0.00 C ATOM 764 C ILE A 48 -13.788 -19.641 -3.646 1.00 0.00 C ATOM 765 O ILE A 48 -14.994 -19.376 -3.561 1.00 0.00 O ATOM 766 CB ILE A 48 -12.769 -21.106 -5.497 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.153 -21.101 -6.935 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.028 -22.013 -5.438 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.711 -22.465 -7.455 1.00 0.00 C ATOM 0 H ILE A 48 -11.008 -19.339 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.754 -19.164 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.040 -21.527 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.887 -20.686 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.294 -20.431 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.769 -23.017 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.398 -22.056 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.803 -21.603 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.298 -22.356 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.950 -22.878 -6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.568 -23.138 -7.487 1.00 0.00 H new ATOM 781 N SER A 49 -13.012 -19.898 -2.584 1.00 0.00 N ATOM 782 CA SER A 49 -13.535 -20.073 -1.214 1.00 0.00 C ATOM 783 C SER A 49 -14.005 -18.737 -0.608 1.00 0.00 C ATOM 784 O SER A 49 -14.927 -18.708 0.212 1.00 0.00 O ATOM 785 CB SER A 49 -12.451 -20.716 -0.322 1.00 0.00 C ATOM 786 OG SER A 49 -12.950 -21.049 0.966 1.00 0.00 O ATOM 0 H SER A 49 -11.998 -19.992 -2.647 1.00 0.00 H new ATOM 0 HA SER A 49 -14.403 -20.731 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.069 -21.615 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.612 -20.028 -0.219 1.00 0.00 H new ATOM 0 HG SER A 49 -12.235 -21.454 1.499 1.00 0.00 H new ATOM 792 N SER A 50 -13.352 -17.645 -1.024 1.00 0.00 N ATOM 793 CA SER A 50 -13.672 -16.282 -0.569 1.00 0.00 C ATOM 794 C SER A 50 -14.723 -15.633 -1.496 1.00 0.00 C ATOM 795 O SER A 50 -15.225 -14.539 -1.204 1.00 0.00 O ATOM 796 CB SER A 50 -12.373 -15.451 -0.528 1.00 0.00 C ATOM 797 OG SER A 50 -12.544 -14.220 0.140 1.00 0.00 O ATOM 0 H SER A 50 -12.581 -17.680 -1.691 1.00 0.00 H new ATOM 0 HA SER A 50 -14.102 -16.319 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.592 -16.026 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.032 -15.265 -1.546 1.00 0.00 H new ATOM 0 HG SER A 50 -12.064 -14.242 0.994 1.00 0.00 H new ATOM 803 N GLY A 51 -15.022 -16.316 -2.624 1.00 0.00 N ATOM 804 CA GLY A 51 -16.045 -15.883 -3.569 1.00 0.00 C ATOM 805 C GLY A 51 -15.622 -14.664 -4.379 1.00 0.00 C ATOM 806 O GLY A 51 -14.823 -14.778 -5.312 1.00 0.00 O ATOM 0 H GLY A 51 -14.554 -17.181 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.276 -16.703 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.961 -15.652 -3.025 1.00 0.00 H new ATOM 810 N ALA A 52 -16.147 -13.490 -3.992 1.00 0.00 N ATOM 811 CA ALA A 52 -15.919 -12.213 -4.697 1.00 0.00 C ATOM 812 C ALA A 52 -14.971 -11.283 -3.907 1.00 0.00 C ATOM 813 O ALA A 52 -14.598 -10.215 -4.408 1.00 0.00 O ATOM 814 CB ALA A 52 -17.271 -11.524 -4.970 1.00 0.00 C ATOM 0 H ALA A 52 -16.748 -13.397 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.430 -12.428 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.101 -10.582 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.892 -12.173 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.778 -11.330 -4.025 1.00 0.00 H new ATOM 820 N GLU A 53 -14.589 -11.691 -2.677 1.00 0.00 N ATOM 821 CA GLU A 53 -13.667 -10.910 -1.826 1.00 0.00 C ATOM 822 C GLU A 53 -12.222 -11.035 -2.360 1.00 0.00 C ATOM 823 O GLU A 53 -11.714 -10.102 -2.992 1.00 0.00 O ATOM 824 CB GLU A 53 -13.777 -11.367 -0.344 1.00 0.00 C ATOM 825 CG GLU A 53 -12.739 -10.745 0.623 1.00 0.00 C ATOM 826 CD GLU A 53 -12.830 -9.215 0.731 1.00 0.00 C ATOM 827 OE1 GLU A 53 -13.697 -8.715 1.474 1.00 0.00 O ATOM 828 OE2 GLU A 53 -12.054 -8.505 0.057 1.00 0.00 O ATOM 0 H GLU A 53 -14.907 -12.561 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.947 -9.857 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.776 -11.126 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.677 -12.452 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.874 -11.178 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.737 -11.017 0.290 1.00 0.00 H new ATOM 835 N LEU A 54 -11.576 -12.195 -2.123 1.00 0.00 N ATOM 836 CA LEU A 54 -10.233 -12.474 -2.653 1.00 0.00 C ATOM 837 C LEU A 54 -10.365 -12.985 -4.090 1.00 0.00 C ATOM 838 O LEU A 54 -11.353 -13.647 -4.441 1.00 0.00 O ATOM 839 CB LEU A 54 -9.459 -13.504 -1.775 1.00 0.00 C ATOM 840 CG LEU A 54 -9.309 -13.157 -0.254 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.471 -14.225 0.479 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.740 -11.736 -0.038 1.00 0.00 C ATOM 0 H LEU A 54 -11.968 -12.954 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.655 -11.550 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.962 -14.467 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.461 -13.629 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.308 -13.164 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.383 -13.959 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.959 -15.195 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.477 -14.277 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.653 -11.538 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.756 -11.663 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.409 -11.004 -0.490 1.00 0.00 H new ATOM 854 N ALA A 55 -9.364 -12.660 -4.902 1.00 0.00 N ATOM 855 CA ALA A 55 -9.289 -13.048 -6.315 1.00 0.00 C ATOM 856 C ALA A 55 -7.879 -13.544 -6.621 1.00 0.00 C ATOM 857 O ALA A 55 -6.959 -13.338 -5.823 1.00 0.00 O ATOM 858 CB ALA A 55 -9.661 -11.856 -7.218 1.00 0.00 C ATOM 0 H ALA A 55 -8.563 -12.108 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.000 -13.850 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.601 -12.159 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.677 -11.531 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.969 -11.033 -7.038 1.00 0.00 H new ATOM 864 N ILE A 56 -7.710 -14.211 -7.767 1.00 0.00 N ATOM 865 CA ILE A 56 -6.376 -14.566 -8.262 1.00 0.00 C ATOM 866 C ILE A 56 -5.705 -13.252 -8.728 1.00 0.00 C ATOM 867 O ILE A 56 -6.210 -12.593 -9.646 1.00 0.00 O ATOM 868 CB ILE A 56 -6.434 -15.615 -9.438 1.00 0.00 C ATOM 869 CG1 ILE A 56 -7.293 -16.857 -9.030 1.00 0.00 C ATOM 870 CG2 ILE A 56 -5.005 -16.034 -9.880 1.00 0.00 C ATOM 871 CD1 ILE A 56 -7.559 -17.864 -10.147 1.00 0.00 C ATOM 0 H ILE A 56 -8.477 -14.515 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.802 -15.043 -7.468 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.917 -15.143 -10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.790 -17.372 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.250 -16.505 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.073 -16.758 -10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.458 -15.156 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.480 -16.483 -9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.162 -18.686 -9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.094 -17.373 -10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.611 -18.253 -10.519 1.00 0.00 H new ATOM 883 N GLY A 57 -4.596 -12.879 -8.071 1.00 0.00 N ATOM 884 CA GLY A 57 -3.978 -11.548 -8.213 1.00 0.00 C ATOM 885 C GLY A 57 -3.972 -10.770 -6.890 1.00 0.00 C ATOM 886 O GLY A 57 -3.325 -9.717 -6.771 1.00 0.00 O ATOM 0 H GLY A 57 -4.100 -13.492 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.955 -11.660 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.519 -10.976 -8.967 1.00 0.00 H new ATOM 890 N THR A 58 -4.710 -11.305 -5.894 1.00 0.00 N ATOM 891 CA THR A 58 -4.598 -10.881 -4.486 1.00 0.00 C ATOM 892 C THR A 58 -3.294 -11.457 -3.912 1.00 0.00 C ATOM 893 O THR A 58 -2.928 -12.594 -4.222 1.00 0.00 O ATOM 894 CB THR A 58 -5.825 -11.365 -3.634 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.032 -10.813 -4.181 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.713 -10.986 -2.139 1.00 0.00 C ATOM 0 H THR A 58 -5.399 -12.042 -6.045 1.00 0.00 H new ATOM 0 HA THR A 58 -4.588 -9.792 -4.443 1.00 0.00 H new ATOM 0 HB THR A 58 -5.840 -12.454 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.689 -10.689 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.591 -11.349 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.817 -11.440 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.651 -9.902 -2.042 1.00 0.00 H new ATOM 904 N VAL A 59 -2.584 -10.658 -3.112 1.00 0.00 N ATOM 905 CA VAL A 59 -1.258 -11.005 -2.587 1.00 0.00 C ATOM 906 C VAL A 59 -1.232 -10.876 -1.054 1.00 0.00 C ATOM 907 O VAL A 59 -1.700 -9.878 -0.502 1.00 0.00 O ATOM 908 CB VAL A 59 -0.149 -10.081 -3.218 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.262 -10.504 -2.741 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.244 -10.072 -4.768 1.00 0.00 C ATOM 0 H VAL A 59 -2.915 -9.743 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.050 -12.040 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.323 -9.062 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.009 -9.850 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.318 -10.425 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.454 -11.534 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.533 -9.426 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.110 -11.085 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.222 -9.698 -5.070 1.00 0.00 H new ATOM 920 N ARG A 60 -0.696 -11.902 -0.380 1.00 0.00 N ATOM 921 CA ARG A 60 -0.407 -11.870 1.065 1.00 0.00 C ATOM 922 C ARG A 60 1.083 -11.582 1.255 1.00 0.00 C ATOM 923 O ARG A 60 1.920 -12.074 0.495 1.00 0.00 O ATOM 924 CB ARG A 60 -0.796 -13.211 1.728 1.00 0.00 C ATOM 925 CG ARG A 60 -2.313 -13.469 1.742 1.00 0.00 C ATOM 926 CD ARG A 60 -2.676 -14.857 2.290 1.00 0.00 C ATOM 927 NE ARG A 60 -4.137 -15.029 2.368 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.824 -16.092 1.924 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.207 -17.095 1.296 1.00 0.00 N ATOM 930 NH2 ARG A 60 -6.138 -16.132 2.104 1.00 0.00 N ATOM 0 H ARG A 60 -0.448 -12.786 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.995 -11.087 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.301 -14.026 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.424 -13.223 2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.801 -12.705 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.703 -13.370 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.249 -15.628 1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.238 -14.987 3.279 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.673 -14.274 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.198 -17.060 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.744 -17.896 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.612 -15.361 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.674 -16.934 1.772 1.00 0.00 H new ATOM 944 N ILE A 61 1.400 -10.769 2.266 1.00 0.00 N ATOM 945 CA ILE A 61 2.755 -10.248 2.506 1.00 0.00 C ATOM 946 C ILE A 61 3.057 -10.399 4.000 1.00 0.00 C ATOM 947 O ILE A 61 2.482 -9.704 4.833 1.00 0.00 O ATOM 948 CB ILE A 61 2.869 -8.740 2.060 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.382 -8.568 0.582 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.317 -8.206 2.244 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.160 -7.146 0.155 1.00 0.00 C ATOM 0 H ILE A 61 0.716 -10.448 2.952 1.00 0.00 H new ATOM 0 HA ILE A 61 3.480 -10.809 1.917 1.00 0.00 H new ATOM 0 HB ILE A 61 2.220 -8.145 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.117 -9.022 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.451 -9.121 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.363 -7.164 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.601 -8.280 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.003 -8.799 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.824 -7.126 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.402 -6.689 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.093 -6.589 0.245 1.00 0.00 H new ATOM 963 N TRP A 62 3.937 -11.345 4.318 1.00 0.00 N ATOM 964 CA TRP A 62 4.269 -11.699 5.705 1.00 0.00 C ATOM 965 C TRP A 62 5.623 -11.061 6.027 1.00 0.00 C ATOM 966 O TRP A 62 6.626 -11.464 5.473 1.00 0.00 O ATOM 967 CB TRP A 62 4.331 -13.262 5.847 1.00 0.00 C ATOM 968 CG TRP A 62 3.077 -14.013 5.395 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.396 -13.871 4.212 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.400 -15.067 6.095 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.329 -14.719 4.169 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.311 -15.472 5.306 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.599 -15.686 7.321 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.436 -16.483 5.701 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.737 -16.689 7.717 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.661 -17.080 6.910 1.00 0.00 C ATOM 0 H TRP A 62 4.444 -11.892 3.623 1.00 0.00 H new ATOM 0 HA TRP A 62 3.514 -11.334 6.401 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.181 -13.629 5.271 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.524 -13.507 6.891 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.667 -13.183 3.425 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.652 -14.780 3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.418 -15.387 7.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.390 -16.784 5.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.895 -17.181 8.665 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.000 -17.864 7.248 1.00 0.00 H new ATOM 987 N ILE A 63 5.649 -10.078 6.930 1.00 0.00 N ATOM 988 CA ILE A 63 6.870 -9.280 7.230 1.00 0.00 C ATOM 989 C ILE A 63 7.187 -9.363 8.721 1.00 0.00 C ATOM 990 O ILE A 63 6.372 -9.859 9.475 1.00 0.00 O ATOM 991 CB ILE A 63 6.689 -7.767 6.822 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.464 -7.124 7.541 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.558 -7.615 5.295 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.294 -5.634 7.287 1.00 0.00 C ATOM 0 H ILE A 63 4.835 -9.803 7.479 1.00 0.00 H new ATOM 0 HA ILE A 63 7.691 -9.697 6.647 1.00 0.00 H new ATOM 0 HB ILE A 63 7.585 -7.236 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.559 -7.640 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.561 -7.288 8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.434 -6.562 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.456 -8.000 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.690 -8.175 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.418 -5.271 7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.180 -5.102 7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.162 -5.460 6.219 1.00 0.00 H new ATOM 1006 N ARG A 64 8.394 -8.939 9.141 1.00 0.00 N ATOM 1007 CA ARG A 64 8.659 -8.671 10.576 1.00 0.00 C ATOM 1008 C ARG A 64 7.614 -7.702 11.171 1.00 0.00 C ATOM 1009 O ARG A 64 7.217 -6.727 10.518 1.00 0.00 O ATOM 1010 CB ARG A 64 10.105 -8.119 10.807 1.00 0.00 C ATOM 1011 CG ARG A 64 11.211 -9.194 10.796 1.00 0.00 C ATOM 1012 CD ARG A 64 11.026 -10.235 11.924 1.00 0.00 C ATOM 1013 NE ARG A 64 11.888 -11.417 11.764 1.00 0.00 N ATOM 1014 CZ ARG A 64 11.643 -12.633 12.293 1.00 0.00 C ATOM 1015 NH1 ARG A 64 10.555 -12.848 13.034 1.00 0.00 N ATOM 1016 NH2 ARG A 64 12.495 -13.626 12.079 1.00 0.00 N ATOM 0 H ARG A 64 9.190 -8.776 8.524 1.00 0.00 H new ATOM 0 HA ARG A 64 8.577 -9.626 11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.326 -7.381 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.132 -7.598 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.212 -9.702 9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.183 -8.713 10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.239 -9.764 12.884 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.984 -10.553 11.950 1.00 0.00 H new ATOM 0 HE ARG A 64 12.737 -11.308 11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.897 -12.088 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.381 -13.772 13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.331 -13.468 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.314 -14.548 12.477 1.00 0.00 H new ATOM 1030 N TYR A 65 7.168 -8.024 12.405 1.00 0.00 N ATOM 1031 CA TYR A 65 6.225 -7.207 13.181 1.00 0.00 C ATOM 1032 C TYR A 65 6.791 -5.788 13.329 1.00 0.00 C ATOM 1033 O TYR A 65 7.851 -5.602 13.931 1.00 0.00 O ATOM 1034 CB TYR A 65 5.976 -7.867 14.569 1.00 0.00 C ATOM 1035 CG TYR A 65 4.882 -7.185 15.415 1.00 0.00 C ATOM 1036 CD1 TYR A 65 5.138 -5.999 16.108 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.592 -7.717 15.504 1.00 0.00 C ATOM 1038 CE1 TYR A 65 4.164 -5.377 16.841 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.613 -7.091 16.247 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.903 -5.921 16.909 1.00 0.00 C ATOM 1041 OH TYR A 65 1.927 -5.286 17.638 1.00 0.00 O ATOM 0 H TYR A 65 7.460 -8.871 12.892 1.00 0.00 H new ATOM 0 HA TYR A 65 5.268 -7.145 12.664 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.702 -8.911 14.417 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.909 -7.862 15.132 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.126 -5.564 16.064 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.358 -8.633 14.982 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.386 -4.459 17.366 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.623 -7.518 16.309 1.00 0.00 H new ATOM 0 HH TYR A 65 1.093 -5.798 17.584 1.00 0.00 H new ATOM 1051 N ARG A 66 6.081 -4.810 12.764 1.00 0.00 N ATOM 1052 CA ARG A 66 6.542 -3.420 12.710 1.00 0.00 C ATOM 1053 C ARG A 66 5.352 -2.480 12.974 1.00 0.00 C ATOM 1054 O ARG A 66 4.362 -2.495 12.236 1.00 0.00 O ATOM 1055 CB ARG A 66 7.201 -3.156 11.325 1.00 0.00 C ATOM 1056 CG ARG A 66 7.899 -1.786 11.175 1.00 0.00 C ATOM 1057 CD ARG A 66 8.585 -1.617 9.806 1.00 0.00 C ATOM 1058 NE ARG A 66 9.295 -0.326 9.711 1.00 0.00 N ATOM 1059 CZ ARG A 66 9.083 0.626 8.789 1.00 0.00 C ATOM 1060 NH1 ARG A 66 8.194 0.460 7.815 1.00 0.00 N ATOM 1061 NH2 ARG A 66 9.771 1.755 8.849 1.00 0.00 N ATOM 0 H ARG A 66 5.170 -4.958 12.331 1.00 0.00 H new ATOM 0 HA ARG A 66 7.291 -3.230 13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.933 -3.941 11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.435 -3.241 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.165 -0.992 11.310 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.641 -1.672 11.965 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.290 -2.433 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.839 -1.682 9.014 1.00 0.00 H new ATOM 0 HE ARG A 66 10.013 -0.140 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.656 -0.405 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.050 1.197 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.456 1.896 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.616 2.484 8.153 1.00 0.00 H new ATOM 1075 N LYS A 67 5.490 -1.660 14.032 1.00 0.00 N ATOM 1076 CA LYS A 67 4.454 -0.715 14.511 1.00 0.00 C ATOM 1077 C LYS A 67 4.226 0.460 13.528 1.00 0.00 C ATOM 1078 O LYS A 67 3.261 1.215 13.684 1.00 0.00 O ATOM 1079 CB LYS A 67 4.882 -0.144 15.893 1.00 0.00 C ATOM 1080 CG LYS A 67 4.947 -1.164 17.052 1.00 0.00 C ATOM 1081 CD LYS A 67 3.547 -1.624 17.531 1.00 0.00 C ATOM 1082 CE LYS A 67 3.600 -2.435 18.844 1.00 0.00 C ATOM 1083 NZ LYS A 67 4.214 -1.663 19.963 1.00 0.00 N ATOM 0 H LYS A 67 6.342 -1.632 14.593 1.00 0.00 H new ATOM 0 HA LYS A 67 3.518 -1.267 14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.863 0.318 15.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.185 0.647 16.169 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.520 -2.034 16.731 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.484 -0.720 17.890 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.912 -0.750 17.675 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.083 -2.231 16.753 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.590 -2.735 19.124 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.170 -3.349 18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.003 -2.134 20.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.244 -1.617 19.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.823 -0.699 19.975 1.00 0.00 H new ATOM 1097 N ASP A 68 5.107 0.594 12.512 1.00 0.00 N ATOM 1098 CA ASP A 68 5.108 1.741 11.572 1.00 0.00 C ATOM 1099 C ASP A 68 4.244 1.436 10.325 1.00 0.00 C ATOM 1100 O ASP A 68 3.820 2.357 9.617 1.00 0.00 O ATOM 1101 CB ASP A 68 6.579 2.070 11.158 1.00 0.00 C ATOM 1102 CG ASP A 68 6.716 3.310 10.245 1.00 0.00 C ATOM 1103 OD1 ASP A 68 6.509 4.446 10.729 1.00 0.00 O ATOM 1104 OD2 ASP A 68 7.024 3.157 9.043 1.00 0.00 O ATOM 0 H ASP A 68 5.839 -0.090 12.319 1.00 0.00 H new ATOM 0 HA ASP A 68 4.673 2.607 12.070 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.172 2.228 12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.003 1.206 10.645 1.00 0.00 H new ATOM 1109 N ILE A 69 3.976 0.140 10.069 1.00 0.00 N ATOM 1110 CA ILE A 69 3.169 -0.289 8.906 1.00 0.00 C ATOM 1111 C ILE A 69 1.704 0.119 9.106 1.00 0.00 C ATOM 1112 O ILE A 69 1.075 -0.295 10.082 1.00 0.00 O ATOM 1113 CB ILE A 69 3.240 -1.840 8.667 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.716 -2.318 8.649 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.502 -2.227 7.349 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.574 -1.704 7.567 1.00 0.00 C ATOM 0 H ILE A 69 4.306 -0.629 10.652 1.00 0.00 H new ATOM 0 HA ILE A 69 3.587 0.206 8.029 1.00 0.00 H new ATOM 0 HB ILE A 69 2.734 -2.344 9.491 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.165 -2.097 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.730 -3.402 8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.562 -3.305 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.456 -1.928 7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.971 -1.719 6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.587 -2.101 7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.156 -1.946 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.599 -0.622 7.693 1.00 0.00 H new ATOM 1128 N ASN A 70 1.192 0.942 8.187 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.200 1.430 8.201 1.00 0.00 C ATOM 1130 C ASN A 70 -0.925 0.914 6.940 1.00 0.00 C ATOM 1131 O ASN A 70 -0.286 0.369 6.036 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.200 2.985 8.271 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.566 3.587 8.623 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.358 3.930 7.746 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -1.870 3.679 9.912 1.00 0.00 N ATOM 0 H ASN A 70 1.735 1.296 7.400 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.731 1.056 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.531 3.306 9.013 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.126 3.383 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.780 4.042 10.197 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.194 3.387 10.618 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.262 1.063 6.904 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.094 0.720 5.730 1.00 0.00 C ATOM 1144 C ALA A 71 -2.776 1.648 4.536 1.00 0.00 C ATOM 1145 O ALA A 71 -2.970 1.276 3.374 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.582 0.785 6.111 1.00 0.00 C ATOM 0 H ALA A 71 -2.800 1.426 7.691 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.862 -0.298 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.191 0.532 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.783 0.077 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.828 1.793 6.445 1.00 0.00 H new ATOM 1152 N THR A 72 -2.261 2.849 4.855 1.00 0.00 N ATOM 1153 CA THR A 72 -1.811 3.839 3.856 1.00 0.00 C ATOM 1154 C THR A 72 -0.307 3.661 3.509 1.00 0.00 C ATOM 1155 O THR A 72 0.303 4.543 2.900 1.00 0.00 O ATOM 1156 CB THR A 72 -2.074 5.292 4.376 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.372 5.516 5.614 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.574 5.568 4.587 1.00 0.00 C ATOM 0 H THR A 72 -2.144 3.163 5.818 1.00 0.00 H new ATOM 0 HA THR A 72 -2.386 3.673 2.945 1.00 0.00 H new ATOM 0 HB THR A 72 -1.707 5.976 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.794 4.994 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.709 6.588 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.103 5.445 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.973 4.867 5.320 1.00 0.00 H new ATOM 1166 N SER A 73 0.284 2.517 3.912 1.00 0.00 N ATOM 1167 CA SER A 73 1.683 2.161 3.607 1.00 0.00 C ATOM 1168 C SER A 73 1.703 0.971 2.634 1.00 0.00 C ATOM 1169 O SER A 73 1.495 -0.171 3.053 1.00 0.00 O ATOM 1170 CB SER A 73 2.447 1.820 4.912 1.00 0.00 C ATOM 1171 OG SER A 73 2.353 2.872 5.861 1.00 0.00 O ATOM 0 H SER A 73 -0.202 1.809 4.463 1.00 0.00 H new ATOM 0 HA SER A 73 2.182 3.010 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.043 0.904 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.495 1.629 4.682 1.00 0.00 H new ATOM 0 HG SER A 73 2.969 2.699 6.603 1.00 0.00 H new ATOM 1177 N ARG A 74 1.917 1.245 1.331 1.00 0.00 N ATOM 1178 CA ARG A 74 1.970 0.192 0.297 1.00 0.00 C ATOM 1179 C ARG A 74 3.263 -0.629 0.412 1.00 0.00 C ATOM 1180 O ARG A 74 4.208 -0.253 1.105 1.00 0.00 O ATOM 1181 CB ARG A 74 1.882 0.786 -1.131 1.00 0.00 C ATOM 1182 CG ARG A 74 0.618 1.612 -1.410 1.00 0.00 C ATOM 1183 CD ARG A 74 0.507 2.059 -2.883 1.00 0.00 C ATOM 1184 NE ARG A 74 1.744 2.676 -3.417 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.821 3.385 -4.551 1.00 0.00 C ATOM 1186 NH1 ARG A 74 0.730 3.749 -5.197 1.00 0.00 N ATOM 1187 NH2 ARG A 74 3.007 3.763 -5.005 1.00 0.00 N ATOM 0 H ARG A 74 2.056 2.189 0.970 1.00 0.00 H new ATOM 0 HA ARG A 74 1.109 -0.454 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.755 1.416 -1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.932 -0.030 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.261 1.023 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.616 2.492 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.249 1.196 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.312 2.772 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 74 2.602 2.551 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.188 3.491 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.804 4.289 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.853 3.514 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.074 4.303 -5.868 1.00 0.00 H new ATOM 1201 N ILE A 75 3.270 -1.773 -0.265 1.00 0.00 N ATOM 1202 CA ILE A 75 4.441 -2.636 -0.413 1.00 0.00 C ATOM 1203 C ILE A 75 4.819 -2.668 -1.905 1.00 0.00 C ATOM 1204 O ILE A 75 3.958 -2.867 -2.746 1.00 0.00 O ATOM 1205 CB ILE A 75 4.138 -4.098 0.122 1.00 0.00 C ATOM 1206 CG1 ILE A 75 4.161 -4.173 1.702 1.00 0.00 C ATOM 1207 CG2 ILE A 75 5.093 -5.147 -0.505 1.00 0.00 C ATOM 1208 CD1 ILE A 75 2.985 -3.523 2.428 1.00 0.00 C ATOM 0 H ILE A 75 2.442 -2.136 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 75 5.270 -2.245 0.176 1.00 0.00 H new ATOM 0 HB ILE A 75 3.124 -4.342 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.205 -5.222 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.081 -3.705 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.854 -6.136 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.973 -5.147 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.124 -4.897 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.113 -3.639 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.945 -2.462 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.056 -4.003 2.119 1.00 0.00 H new ATOM 1220 N LYS A 76 6.098 -2.437 -2.226 1.00 0.00 N ATOM 1221 CA LYS A 76 6.640 -2.685 -3.574 1.00 0.00 C ATOM 1222 C LYS A 76 7.850 -3.609 -3.442 1.00 0.00 C ATOM 1223 O LYS A 76 8.868 -3.212 -2.872 1.00 0.00 O ATOM 1224 CB LYS A 76 7.033 -1.369 -4.298 1.00 0.00 C ATOM 1225 CG LYS A 76 7.515 -1.597 -5.755 1.00 0.00 C ATOM 1226 CD LYS A 76 7.947 -0.308 -6.481 1.00 0.00 C ATOM 1227 CE LYS A 76 9.143 0.384 -5.803 1.00 0.00 C ATOM 1228 NZ LYS A 76 9.679 1.495 -6.627 1.00 0.00 N ATOM 0 H LYS A 76 6.785 -2.075 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 76 5.868 -3.154 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.176 -0.696 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.823 -0.873 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.353 -2.294 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.713 -2.070 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.208 -0.547 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.105 0.383 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.836 0.769 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.931 -0.347 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.483 1.935 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.995 1.124 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.935 2.206 -6.778 1.00 0.00 H new ATOM 1242 N VAL A 77 7.733 -4.833 -3.973 1.00 0.00 N ATOM 1243 CA VAL A 77 8.722 -5.904 -3.734 1.00 0.00 C ATOM 1244 C VAL A 77 10.076 -5.589 -4.407 1.00 0.00 C ATOM 1245 O VAL A 77 10.164 -5.490 -5.629 1.00 0.00 O ATOM 1246 CB VAL A 77 8.178 -7.286 -4.222 1.00 0.00 C ATOM 1247 CG1 VAL A 77 9.168 -8.440 -3.956 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.806 -7.589 -3.594 1.00 0.00 C ATOM 0 H VAL A 77 6.959 -5.112 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 77 8.889 -5.957 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 77 8.059 -7.213 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.740 -9.376 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.104 -8.245 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.360 -8.515 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.449 -8.556 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.900 -7.613 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.096 -6.813 -3.879 1.00 0.00 H new ATOM 1258 N SER A 78 11.107 -5.419 -3.574 1.00 0.00 N ATOM 1259 CA SER A 78 12.480 -5.102 -4.010 1.00 0.00 C ATOM 1260 C SER A 78 13.201 -6.347 -4.599 1.00 0.00 C ATOM 1261 O SER A 78 14.144 -6.207 -5.379 1.00 0.00 O ATOM 1262 CB SER A 78 13.261 -4.518 -2.813 1.00 0.00 C ATOM 1263 OG SER A 78 14.554 -4.087 -3.190 1.00 0.00 O ATOM 0 H SER A 78 11.015 -5.498 -2.561 1.00 0.00 H new ATOM 0 HA SER A 78 12.435 -4.364 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.707 -3.679 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.343 -5.272 -2.030 1.00 0.00 H new ATOM 0 HG SER A 78 14.835 -3.349 -2.610 1.00 0.00 H new ATOM 1269 N THR A 79 12.731 -7.548 -4.217 1.00 0.00 N ATOM 1270 CA THR A 79 13.240 -8.835 -4.740 1.00 0.00 C ATOM 1271 C THR A 79 12.274 -9.964 -4.352 1.00 0.00 C ATOM 1272 O THR A 79 11.876 -10.072 -3.183 1.00 0.00 O ATOM 1273 CB THR A 79 14.711 -9.173 -4.272 1.00 0.00 C ATOM 1274 OG1 THR A 79 15.139 -10.414 -4.853 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.860 -9.249 -2.745 1.00 0.00 C ATOM 0 H THR A 79 11.983 -7.657 -3.533 1.00 0.00 H new ATOM 0 HA THR A 79 13.291 -8.740 -5.825 1.00 0.00 H new ATOM 0 HB THR A 79 15.340 -8.352 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 16.052 -10.615 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.894 -9.484 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.588 -8.290 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.204 -10.027 -2.354 1.00 0.00 H new ATOM 1283 N GLY A 80 11.867 -10.773 -5.347 1.00 0.00 N ATOM 1284 CA GLY A 80 10.872 -11.829 -5.154 1.00 0.00 C ATOM 1285 C GLY A 80 10.108 -12.136 -6.441 1.00 0.00 C ATOM 1286 O GLY A 80 10.520 -11.684 -7.515 1.00 0.00 O ATOM 0 H GLY A 80 12.220 -10.709 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.367 -12.734 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.169 -11.527 -4.378 1.00 0.00 H new ATOM 1290 N PRO A 81 8.955 -12.881 -6.368 1.00 0.00 N ATOM 1291 CA PRO A 81 8.135 -13.222 -7.567 1.00 0.00 C ATOM 1292 C PRO A 81 7.411 -11.988 -8.153 1.00 0.00 C ATOM 1293 O PRO A 81 6.913 -12.023 -9.284 1.00 0.00 O ATOM 1294 CB PRO A 81 7.127 -14.264 -7.018 1.00 0.00 C ATOM 1295 CG PRO A 81 6.973 -13.898 -5.569 1.00 0.00 C ATOM 1296 CD PRO A 81 8.349 -13.431 -5.119 1.00 0.00 C ATOM 0 HA PRO A 81 8.739 -13.598 -8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.174 -14.213 -7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.502 -15.281 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.230 -13.111 -5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.637 -14.753 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.280 -12.673 -4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.940 -14.253 -4.714 1.00 0.00 H new ATOM 1304 N LEU A 82 7.360 -10.907 -7.357 1.00 0.00 N ATOM 1305 CA LEU A 82 6.686 -9.654 -7.715 1.00 0.00 C ATOM 1306 C LEU A 82 7.671 -8.477 -7.653 1.00 0.00 C ATOM 1307 O LEU A 82 7.285 -7.359 -7.291 1.00 0.00 O ATOM 1308 CB LEU A 82 5.486 -9.435 -6.750 1.00 0.00 C ATOM 1309 CG LEU A 82 4.332 -10.475 -6.853 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.296 -10.248 -5.743 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.680 -10.458 -8.261 1.00 0.00 C ATOM 0 H LEU A 82 7.793 -10.882 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 82 6.314 -9.714 -8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.862 -9.439 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.073 -8.443 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 82 4.757 -11.469 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.498 -10.985 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.777 -10.351 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.876 -9.246 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.878 -11.195 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.272 -9.467 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.431 -10.699 -9.013 1.00 0.00 H new ATOM 1323 N ALA A 83 8.940 -8.733 -8.020 1.00 0.00 N ATOM 1324 CA ALA A 83 9.990 -7.698 -8.060 1.00 0.00 C ATOM 1325 C ALA A 83 9.598 -6.568 -9.045 1.00 0.00 C ATOM 1326 O ALA A 83 9.491 -6.805 -10.253 1.00 0.00 O ATOM 1327 CB ALA A 83 11.346 -8.322 -8.441 1.00 0.00 C ATOM 0 H ALA A 83 9.266 -9.659 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 83 10.088 -7.260 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.110 -7.545 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.620 -9.076 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.269 -8.787 -9.424 1.00 0.00 H new ATOM 1333 N GLY A 84 9.320 -5.366 -8.493 1.00 0.00 N ATOM 1334 CA GLY A 84 8.926 -4.183 -9.282 1.00 0.00 C ATOM 1335 C GLY A 84 7.438 -3.848 -9.165 1.00 0.00 C ATOM 1336 O GLY A 84 7.014 -2.727 -9.474 1.00 0.00 O ATOM 0 H GLY A 84 9.363 -5.191 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.512 -3.324 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.172 -4.355 -10.330 1.00 0.00 H new ATOM 1340 N ARG A 85 6.653 -4.823 -8.703 1.00 0.00 N ATOM 1341 CA ARG A 85 5.183 -4.711 -8.588 1.00 0.00 C ATOM 1342 C ARG A 85 4.821 -4.014 -7.269 1.00 0.00 C ATOM 1343 O ARG A 85 5.362 -4.375 -6.211 1.00 0.00 O ATOM 1344 CB ARG A 85 4.542 -6.127 -8.637 1.00 0.00 C ATOM 1345 CG ARG A 85 5.073 -7.008 -9.788 1.00 0.00 C ATOM 1346 CD ARG A 85 4.529 -6.648 -11.185 1.00 0.00 C ATOM 1347 NE ARG A 85 3.315 -7.417 -11.508 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.309 -8.668 -12.019 1.00 0.00 C ATOM 1349 NH1 ARG A 85 4.447 -9.310 -12.292 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.161 -9.273 -12.248 1.00 0.00 N ATOM 0 H ARG A 85 7.016 -5.725 -8.393 1.00 0.00 H new ATOM 0 HA ARG A 85 4.799 -4.121 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.726 -6.633 -7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.462 -6.024 -8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.161 -6.937 -9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.825 -8.048 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.307 -5.582 -11.226 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.295 -6.843 -11.936 1.00 0.00 H new ATOM 0 HE ARG A 85 2.413 -6.973 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.343 -8.857 -12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.420 -10.254 -12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.283 -8.797 -12.040 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.150 -10.217 -12.634 1.00 0.00 H new ATOM 1364 N VAL A 86 3.921 -3.016 -7.336 1.00 0.00 N ATOM 1365 CA VAL A 86 3.461 -2.265 -6.154 1.00 0.00 C ATOM 1366 C VAL A 86 2.092 -2.803 -5.667 1.00 0.00 C ATOM 1367 O VAL A 86 1.042 -2.562 -6.268 1.00 0.00 O ATOM 1368 CB VAL A 86 3.429 -0.705 -6.412 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.566 -0.312 -7.645 1.00 0.00 C ATOM 1370 CG2 VAL A 86 2.984 0.040 -5.129 1.00 0.00 C ATOM 0 H VAL A 86 3.493 -2.708 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 86 4.186 -2.424 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 86 4.444 -0.393 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.583 0.771 -7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.970 -0.787 -8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.539 -0.643 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.966 1.113 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.987 -0.294 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.685 -0.174 -4.322 1.00 0.00 H new ATOM 1380 N LEU A 87 2.149 -3.601 -4.598 1.00 0.00 N ATOM 1381 CA LEU A 87 0.975 -4.168 -3.931 1.00 0.00 C ATOM 1382 C LEU A 87 0.353 -3.133 -2.968 1.00 0.00 C ATOM 1383 O LEU A 87 1.032 -2.582 -2.098 1.00 0.00 O ATOM 1384 CB LEU A 87 1.326 -5.486 -3.170 1.00 0.00 C ATOM 1385 CG LEU A 87 2.061 -6.612 -3.980 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.432 -6.843 -5.366 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.573 -6.355 -4.089 1.00 0.00 C ATOM 0 H LEU A 87 3.030 -3.876 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 87 0.244 -4.418 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.948 -5.225 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.400 -5.904 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 87 1.928 -7.531 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.977 -7.631 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.390 -7.139 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.484 -5.922 -5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.039 -7.160 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.745 -5.406 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.009 -6.317 -3.091 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.939 -2.860 -3.168 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.729 -1.912 -2.358 1.00 0.00 C ATOM 1401 C ASN A 88 -2.555 -2.698 -1.332 1.00 0.00 C ATOM 1402 O ASN A 88 -3.112 -3.746 -1.675 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.679 -1.077 -3.273 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.991 -0.087 -4.223 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.800 -0.414 -4.719 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.549 0.965 -4.536 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.482 -3.298 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.054 -1.228 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.278 -1.766 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.369 -0.522 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.462 1.195 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.098 1.607 -5.188 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.684 -2.162 -0.100 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.356 -2.870 1.013 1.00 0.00 C ATOM 1415 C ILE A 89 -4.882 -2.774 0.847 1.00 0.00 C ATOM 1416 O ILE A 89 -5.422 -1.682 0.635 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.922 -2.301 2.428 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -1.383 -2.488 2.634 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.730 -2.952 3.593 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.860 -2.085 4.009 1.00 0.00 C ATOM 0 H ILE A 89 -2.331 -1.239 0.151 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.049 -3.915 0.975 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.151 -1.235 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.134 -3.535 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.858 -1.905 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.400 -2.533 4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.792 -2.750 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.563 -4.029 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.216 -2.252 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.071 -1.030 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.351 -2.685 4.775 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.566 -3.927 0.909 1.00 0.00 N ATOM 1433 CA ILE A 90 -7.043 -4.007 0.847 1.00 0.00 C ATOM 1434 C ILE A 90 -7.600 -4.398 2.235 1.00 0.00 C ATOM 1435 O ILE A 90 -8.109 -5.505 2.449 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.552 -4.985 -0.299 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.752 -6.330 -0.302 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -7.489 -4.288 -1.678 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.265 -7.386 -1.274 1.00 0.00 C ATOM 0 H ILE A 90 -5.113 -4.836 1.004 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.427 -3.022 0.582 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.593 -5.231 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.710 -6.115 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.769 -6.747 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.841 -4.974 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.121 -3.400 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.460 -3.999 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.645 -8.280 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.296 -7.638 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.221 -6.996 -2.291 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.460 -3.459 3.188 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.935 -3.642 4.556 1.00 0.00 C ATOM 1453 C GLY A 91 -7.074 -2.890 5.554 1.00 0.00 C ATOM 1454 O GLY A 91 -6.896 -1.675 5.425 1.00 0.00 O ATOM 0 H GLY A 91 -7.014 -2.556 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.966 -3.297 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.935 -4.704 4.802 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.513 -3.612 6.535 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.632 -3.047 7.575 1.00 0.00 C ATOM 1460 C GLN A 92 -4.487 -4.039 7.843 1.00 0.00 C ATOM 1461 O GLN A 92 -4.711 -5.254 7.747 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.432 -2.739 8.894 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.883 -3.966 9.737 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.905 -4.878 9.050 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -8.732 -4.430 8.256 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -7.840 -6.175 9.335 1.00 0.00 N ATOM 0 H GLN A 92 -6.658 -4.617 6.632 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.221 -2.100 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.815 -2.100 9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.319 -2.164 8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.003 -4.557 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.309 -3.608 10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.144 -6.517 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.486 -6.828 8.891 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.243 -3.568 8.177 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.129 -4.471 8.532 1.00 0.00 C ATOM 1477 C PRO A 93 -2.454 -5.243 9.828 1.00 0.00 C ATOM 1478 O PRO A 93 -2.400 -4.692 10.928 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.921 -3.512 8.685 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.530 -2.189 9.009 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.820 -2.140 8.222 1.00 0.00 C ATOM 0 HA PRO A 93 -1.932 -5.246 7.791 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.249 -3.844 9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.334 -3.464 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.718 -2.094 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.866 -1.371 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.567 -1.514 8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.667 -1.733 7.222 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.847 -6.512 9.657 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.321 -7.377 10.752 1.00 0.00 C ATOM 1491 C LEU A 94 -2.093 -7.947 11.510 1.00 0.00 C ATOM 1492 O LEU A 94 -1.337 -8.719 10.929 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.237 -8.508 10.144 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.073 -9.414 11.120 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.233 -10.524 11.772 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.815 -8.568 12.175 1.00 0.00 C ATOM 0 H LEU A 94 -2.846 -6.974 8.748 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.919 -6.818 11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.936 -8.032 9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.601 -9.163 9.549 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.821 -9.919 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.864 -11.116 12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.816 -11.167 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.422 -10.077 12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.383 -9.225 12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.092 -8.002 12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.495 -7.878 11.675 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.847 -7.562 12.806 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.698 -8.084 13.587 1.00 0.00 C ATOM 1510 C PRO A 95 -0.848 -9.585 13.883 1.00 0.00 C ATOM 1511 O PRO A 95 -1.950 -10.041 14.206 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.714 -7.244 14.901 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.620 -6.086 14.598 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.641 -6.605 13.610 1.00 0.00 C ATOM 0 HA PRO A 95 0.243 -7.992 13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.086 -7.830 15.742 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.287 -6.905 15.167 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.104 -5.721 15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.059 -5.251 14.178 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.479 -7.091 14.109 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.056 -5.805 12.997 1.00 0.00 H new ATOM 1522 N ASP A 96 0.248 -10.345 13.739 1.00 0.00 N ATOM 1523 CA ASP A 96 0.287 -11.764 14.113 1.00 0.00 C ATOM 1524 C ASP A 96 -0.048 -11.965 15.609 1.00 0.00 C ATOM 1525 O ASP A 96 0.320 -11.130 16.451 1.00 0.00 O ATOM 1526 CB ASP A 96 1.684 -12.302 13.790 1.00 0.00 C ATOM 1527 CG ASP A 96 1.885 -13.782 14.115 1.00 0.00 C ATOM 1528 OD1 ASP A 96 1.287 -14.638 13.429 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.650 -14.091 15.039 1.00 0.00 O ATOM 0 H ASP A 96 1.128 -9.994 13.361 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.467 -12.311 13.547 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.883 -12.146 12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.421 -11.719 14.342 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.744 -13.076 15.913 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.216 -13.409 17.271 1.00 0.00 C ATOM 1536 C ALA A 97 -0.058 -13.785 18.210 1.00 0.00 C ATOM 1537 O ALA A 97 -0.188 -13.680 19.428 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.245 -14.548 17.204 1.00 0.00 C ATOM 0 H ALA A 97 -0.998 -13.776 15.215 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.689 -12.518 17.685 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.588 -14.788 18.210 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.094 -14.236 16.596 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.784 -15.429 16.758 1.00 0.00 H new ATOM 1544 N ALA A 98 1.065 -14.243 17.639 1.00 0.00 N ATOM 1545 CA ALA A 98 2.302 -14.529 18.399 1.00 0.00 C ATOM 1546 C ALA A 98 3.263 -13.316 18.372 1.00 0.00 C ATOM 1547 O ALA A 98 4.316 -13.351 19.016 1.00 0.00 O ATOM 1548 CB ALA A 98 2.993 -15.783 17.827 1.00 0.00 C ATOM 0 H ALA A 98 1.147 -14.427 16.639 1.00 0.00 H new ATOM 0 HA ALA A 98 2.033 -14.718 19.438 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.903 -15.987 18.392 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.319 -16.637 17.904 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.246 -15.613 16.780 1.00 0.00 H new ATOM 1554 N ARG A 99 2.886 -12.259 17.590 1.00 0.00 N ATOM 1555 CA ARG A 99 3.682 -11.017 17.408 1.00 0.00 C ATOM 1556 C ARG A 99 5.072 -11.301 16.777 1.00 0.00 C ATOM 1557 O ARG A 99 5.994 -10.482 16.878 1.00 0.00 O ATOM 1558 CB ARG A 99 3.812 -10.200 18.744 1.00 0.00 C ATOM 1559 CG ARG A 99 2.552 -9.397 19.181 1.00 0.00 C ATOM 1560 CD ARG A 99 1.343 -10.270 19.550 1.00 0.00 C ATOM 1561 NE ARG A 99 0.192 -9.461 19.989 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.036 -9.926 20.228 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.332 -11.204 20.052 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -1.970 -9.089 20.630 1.00 0.00 N ATOM 0 H ARG A 99 2.011 -12.252 17.066 1.00 0.00 H new ATOM 0 HA ARG A 99 3.131 -10.396 16.702 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.073 -10.892 19.545 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.644 -9.503 18.641 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.811 -8.775 20.038 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.266 -8.724 18.373 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.055 -10.873 18.689 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.624 -10.962 20.344 1.00 0.00 H new ATOM 0 HE ARG A 99 0.347 -8.462 20.121 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.615 -11.854 19.728 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.277 -11.539 20.240 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.750 -8.101 20.755 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.913 -9.429 20.817 1.00 0.00 H new ATOM 1578 N THR A 100 5.187 -12.438 16.074 1.00 0.00 N ATOM 1579 CA THR A 100 6.440 -12.857 15.417 1.00 0.00 C ATOM 1580 C THR A 100 6.559 -12.228 14.017 1.00 0.00 C ATOM 1581 O THR A 100 7.632 -12.284 13.391 1.00 0.00 O ATOM 1582 CB THR A 100 6.506 -14.416 15.313 1.00 0.00 C ATOM 1583 OG1 THR A 100 5.385 -14.910 14.571 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.521 -15.072 16.702 1.00 0.00 C ATOM 0 H THR A 100 4.417 -13.094 15.944 1.00 0.00 H new ATOM 0 HA THR A 100 7.275 -12.509 16.024 1.00 0.00 H new ATOM 0 HB THR A 100 7.432 -14.672 14.799 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.554 -14.608 14.994 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.567 -16.155 16.592 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.392 -14.726 17.258 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.614 -14.800 17.242 1.00 0.00 H new ATOM 1592 N ARG A 101 5.455 -11.613 13.548 1.00 0.00 N ATOM 1593 CA ARG A 101 5.355 -11.032 12.207 1.00 0.00 C ATOM 1594 C ARG A 101 4.153 -10.069 12.117 1.00 0.00 C ATOM 1595 O ARG A 101 3.446 -9.838 13.105 1.00 0.00 O ATOM 1596 CB ARG A 101 5.223 -12.155 11.144 1.00 0.00 C ATOM 1597 CG ARG A 101 3.992 -13.049 11.317 1.00 0.00 C ATOM 1598 CD ARG A 101 3.808 -14.024 10.168 1.00 0.00 C ATOM 1599 NE ARG A 101 4.957 -14.955 10.026 1.00 0.00 N ATOM 1600 CZ ARG A 101 4.894 -16.296 10.099 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.737 -16.918 10.330 1.00 0.00 N ATOM 1602 NH2 ARG A 101 6.004 -17.012 9.954 1.00 0.00 N ATOM 0 H ARG A 101 4.603 -11.508 14.100 1.00 0.00 H new ATOM 0 HA ARG A 101 6.265 -10.465 12.010 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.190 -11.699 10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.117 -12.778 11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.081 -13.606 12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.103 -12.424 11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.895 -14.599 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.678 -13.467 9.240 1.00 0.00 H new ATOM 0 HE ARG A 101 5.874 -14.541 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.882 -16.375 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.707 -17.936 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.895 -16.544 9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.965 -18.030 10.008 1.00 0.00 H new ATOM 1616 N LEU A 102 3.933 -9.516 10.915 1.00 0.00 N ATOM 1617 CA LEU A 102 2.796 -8.645 10.606 1.00 0.00 C ATOM 1618 C LEU A 102 2.140 -9.197 9.318 1.00 0.00 C ATOM 1619 O LEU A 102 2.783 -9.247 8.260 1.00 0.00 O ATOM 1620 CB LEU A 102 3.275 -7.150 10.436 1.00 0.00 C ATOM 1621 CG LEU A 102 2.368 -6.020 11.038 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.905 -6.160 10.602 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.497 -5.946 12.572 1.00 0.00 C ATOM 0 H LEU A 102 4.553 -9.666 10.119 1.00 0.00 H new ATOM 0 HA LEU A 102 2.067 -8.640 11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.264 -7.062 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.391 -6.954 9.370 1.00 0.00 H new ATOM 0 HG LEU A 102 2.730 -5.075 10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.315 -5.356 11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.842 -6.102 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.516 -7.121 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.855 -5.152 12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.196 -6.898 13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.532 -5.735 12.840 1.00 0.00 H new ATOM 1635 N GLU A 103 0.888 -9.654 9.444 1.00 0.00 N ATOM 1636 CA GLU A 103 0.113 -10.232 8.333 1.00 0.00 C ATOM 1637 C GLU A 103 -0.516 -9.101 7.501 1.00 0.00 C ATOM 1638 O GLU A 103 -1.501 -8.479 7.920 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.988 -11.177 8.889 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.878 -11.857 7.820 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.104 -12.806 6.898 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -0.565 -13.805 7.412 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -1.062 -12.581 5.662 1.00 0.00 O ATOM 0 H GLU A 103 0.378 -9.634 10.327 1.00 0.00 H new ATOM 0 HA GLU A 103 0.776 -10.814 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.510 -11.953 9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.628 -10.606 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.671 -12.414 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.360 -11.088 7.216 1.00 0.00 H new ATOM 1650 N ILE A 104 0.088 -8.808 6.345 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.398 -7.763 5.433 1.00 0.00 C ATOM 1652 C ILE A 104 -1.215 -8.422 4.314 1.00 0.00 C ATOM 1653 O ILE A 104 -0.731 -9.345 3.654 1.00 0.00 O ATOM 1654 CB ILE A 104 0.786 -6.935 4.789 1.00 0.00 C ATOM 1655 CG1 ILE A 104 1.874 -6.563 5.845 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.253 -5.673 4.069 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.388 -5.716 6.995 1.00 0.00 C ATOM 0 H ILE A 104 0.926 -9.286 6.014 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.011 -7.071 6.011 1.00 0.00 H new ATOM 0 HB ILE A 104 1.263 -7.573 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.298 -7.483 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.682 -6.033 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.087 -5.122 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.437 -5.969 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.268 -5.038 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.217 -5.512 7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.992 -4.775 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.603 -6.248 7.532 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.456 -7.960 4.120 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.305 -8.382 2.990 1.00 0.00 C ATOM 1671 C LEU A 105 -3.314 -7.252 1.949 1.00 0.00 C ATOM 1672 O LEU A 105 -3.486 -6.070 2.284 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.754 -8.780 3.432 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.726 -7.654 3.940 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -7.144 -8.215 4.176 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -5.206 -6.940 5.208 1.00 0.00 C ATOM 0 H LEU A 105 -2.903 -7.284 4.739 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.886 -9.288 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.233 -9.273 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.665 -9.522 4.225 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.770 -6.904 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.797 -7.416 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.535 -8.620 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.102 -9.006 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.919 -6.173 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.089 -7.666 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.243 -6.476 4.995 1.00 0.00 H new ATOM 1688 N CYS A 106 -3.139 -7.633 0.683 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.912 -6.698 -0.426 1.00 0.00 C ATOM 1690 C CYS A 106 -3.407 -7.309 -1.745 1.00 0.00 C ATOM 1691 O CYS A 106 -3.916 -8.427 -1.784 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.405 -6.320 -0.543 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.718 -5.458 0.892 1.00 0.00 S ATOM 0 H CYS A 106 -3.151 -8.611 0.393 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.475 -5.788 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.830 -7.231 -0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.271 -5.692 -1.424 1.00 0.00 H new ATOM 0 HG CYS A 106 -1.642 -5.313 1.794 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.282 -6.515 -2.795 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.479 -6.929 -4.198 1.00 0.00 C ATOM 1701 C ARG A 107 -2.466 -6.173 -5.060 1.00 0.00 C ATOM 1702 O ARG A 107 -1.908 -5.178 -4.596 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.905 -6.560 -4.670 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.254 -5.048 -4.524 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.412 -4.608 -5.432 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.013 -4.631 -6.853 1.00 0.00 N ATOM 1707 CZ ARG A 107 -6.706 -5.168 -7.866 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -7.904 -5.722 -7.669 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -6.190 -5.127 -9.086 1.00 0.00 N ATOM 0 H ARG A 107 -3.033 -5.530 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.345 -8.007 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.016 -6.848 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.627 -7.145 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.514 -4.840 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.371 -4.453 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.267 -5.267 -5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.732 -3.603 -5.157 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.121 -4.195 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.309 -5.742 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.415 -6.125 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.280 -4.692 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.702 -5.530 -9.870 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.210 -6.641 -6.295 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.468 -5.838 -7.278 1.00 0.00 C ATOM 1725 C GLU A 108 -2.210 -4.510 -7.536 1.00 0.00 C ATOM 1726 O GLU A 108 -3.366 -4.520 -7.963 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.287 -6.597 -8.600 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.526 -5.793 -9.664 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.529 -6.486 -11.022 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.340 -7.338 -11.254 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -1.413 -6.199 -11.856 1.00 0.00 O ATOM 0 H GLU A 108 -2.502 -7.559 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.479 -5.633 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.752 -7.527 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.267 -6.868 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.976 -4.805 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.503 -5.643 -9.337 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.517 -3.389 -7.294 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.123 -2.058 -7.317 1.00 0.00 C ATOM 1740 C GLY A 109 -2.103 -1.397 -8.689 1.00 0.00 C ATOM 1741 O GLY A 109 -1.778 -0.205 -8.794 1.00 0.00 O ATOM 0 H GLY A 109 -0.520 -3.383 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.155 -2.133 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.598 -1.418 -6.608 1.00 0.00 H new