USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 871 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 92 GLN : amide:sc= -0.435 K(o=0.0085,f=-2.5!) USER MOD Set 1.2: A 105 SER OG : rot -67:sc= 0.444 USER MOD Single : A 10 ASN : amide:sc= -0.0217 K(o=-0.022,f=-0.57) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0597 K(o=-0.06,f=-1.4) USER MOD Single : A 18 MET CE :methyl 156:sc= -0.172 (180deg=-0.951) USER MOD Single : A 19 ASN : amide:sc= -8.97! C(o=-9!,f=-10!) USER MOD Single : A 24 THR OG1 : rot 87:sc= 0.384 USER MOD Single : A 27 ASN : amide:sc= 1.18 K(o=1.2,f=-0.042) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -95:sc= 1.13 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0256) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 53 TYR OH : rot -10:sc= 0.105 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 73 LYS NZ :NH3+ -109:sc= -1.13 (180deg=-3.4!) USER MOD Single : A 74 TYR OH : rot 110:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 135:sc= -1.36 (180deg=-3.1!) USER MOD Single : A 88 CYS SG : rot 71:sc= 1.15 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -6.36! C(o=-6.4!,f=-21!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.899 K(o=0.9,f=-0.58) USER MOD Single : A 99 SER OG : rot 180:sc= 0.375 USER MOD Single : A 100 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.056) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.046 K(o=-0.046,f=-0.75) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 10 0.842 11.292 4.930 1.00 0.00 N ATOM 92 CA ASN A 10 -0.362 10.943 4.183 1.00 0.00 C ATOM 93 C ASN A 10 -1.616 11.299 4.975 1.00 0.00 C ATOM 94 O ASN A 10 -1.649 11.219 6.203 1.00 0.00 O ATOM 95 CB ASN A 10 -0.363 9.450 3.847 1.00 0.00 C ATOM 96 CG ASN A 10 0.470 9.133 2.620 1.00 0.00 C ATOM 97 OD1 ASN A 10 0.404 9.837 1.613 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.259 8.068 2.701 1.00 0.00 N ATOM 0 HA ASN A 10 -0.365 11.517 3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.021 8.888 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.388 9.118 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.843 7.804 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.281 7.514 3.557 1.00 0.00 H new ATOM 105 N PRO A 11 -2.675 11.702 4.257 1.00 0.00 N ATOM 106 CA PRO A 11 -3.952 12.077 4.871 1.00 0.00 C ATOM 107 C PRO A 11 -4.685 10.877 5.462 1.00 0.00 C ATOM 108 O PRO A 11 -4.336 9.723 5.216 1.00 0.00 O ATOM 109 CB PRO A 11 -4.747 12.668 3.704 1.00 0.00 C ATOM 110 CG PRO A 11 -4.165 12.032 2.489 1.00 0.00 C ATOM 111 CD PRO A 11 -2.707 11.821 2.789 1.00 0.00 C ATOM 0 HA PRO A 11 -3.817 12.766 5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.810 12.446 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.650 13.753 3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.659 11.085 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.295 12.670 1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.323 10.923 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.100 12.656 2.440 1.00 0.00 H new ATOM 119 N PRO A 12 -5.726 11.154 6.261 1.00 0.00 N ATOM 120 CA PRO A 12 -6.531 10.111 6.903 1.00 0.00 C ATOM 121 C PRO A 12 -7.380 9.335 5.902 1.00 0.00 C ATOM 122 O PRO A 12 -7.908 8.268 6.215 1.00 0.00 O ATOM 123 CB PRO A 12 -7.424 10.895 7.868 1.00 0.00 C ATOM 124 CG PRO A 12 -7.519 12.258 7.274 1.00 0.00 C ATOM 125 CD PRO A 12 -6.198 12.508 6.599 1.00 0.00 C ATOM 0 HA PRO A 12 -5.910 9.360 7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.407 10.434 7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.992 10.928 8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.340 12.316 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.712 13.006 8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.312 13.128 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.501 13.024 7.259 1.00 0.00 H new ATOM 133 N LYS A 13 -7.507 9.878 4.695 1.00 0.00 N ATOM 134 CA LYS A 13 -8.291 9.237 3.646 1.00 0.00 C ATOM 135 C LYS A 13 -7.486 8.136 2.963 1.00 0.00 C ATOM 136 O LYS A 13 -7.931 6.990 2.876 1.00 0.00 O ATOM 137 CB LYS A 13 -8.740 10.271 2.612 1.00 0.00 C ATOM 138 CG LYS A 13 -10.073 10.922 2.942 1.00 0.00 C ATOM 139 CD LYS A 13 -11.240 10.081 2.452 1.00 0.00 C ATOM 140 CE LYS A 13 -11.504 8.902 3.377 1.00 0.00 C ATOM 141 NZ LYS A 13 -12.913 8.429 3.284 1.00 0.00 N ATOM 0 H LYS A 13 -7.077 10.761 4.420 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.171 8.788 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.977 11.045 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.812 9.790 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.153 11.064 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.119 11.911 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.134 10.701 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.030 9.716 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.829 8.084 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.285 9.191 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.053 7.625 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.557 9.202 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.115 8.129 2.309 1.00 0.00 H new ATOM 155 N LEU A 14 -6.301 8.489 2.479 1.00 0.00 N ATOM 156 CA LEU A 14 -5.433 7.530 1.804 1.00 0.00 C ATOM 157 C LEU A 14 -5.003 6.419 2.758 1.00 0.00 C ATOM 158 O LEU A 14 -5.030 5.239 2.407 1.00 0.00 O ATOM 159 CB LEU A 14 -4.200 8.237 1.239 1.00 0.00 C ATOM 160 CG LEU A 14 -3.251 7.371 0.410 1.00 0.00 C ATOM 161 CD1 LEU A 14 -4.035 6.415 -0.475 1.00 0.00 C ATOM 162 CD2 LEU A 14 -2.330 8.244 -0.430 1.00 0.00 C ATOM 0 H LEU A 14 -5.919 9.433 2.541 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.996 7.083 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.535 9.069 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.638 8.664 2.070 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.639 6.782 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.342 5.807 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.652 5.767 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.673 6.985 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.661 7.611 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.926 8.860 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.742 8.887 0.224 1.00 0.00 H new ATOM 174 N THR A 15 -4.609 6.804 3.967 1.00 0.00 N ATOM 175 CA THR A 15 -4.174 5.842 4.972 1.00 0.00 C ATOM 176 C THR A 15 -5.287 4.855 5.306 1.00 0.00 C ATOM 177 O THR A 15 -5.176 3.661 5.027 1.00 0.00 O ATOM 178 CB THR A 15 -3.723 6.546 6.266 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.868 7.650 5.950 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.991 5.577 7.182 1.00 0.00 C ATOM 0 H THR A 15 -4.582 7.776 4.275 1.00 0.00 H new ATOM 0 HA THR A 15 -3.328 5.302 4.547 1.00 0.00 H new ATOM 0 HB THR A 15 -4.610 6.911 6.784 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.414 8.432 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.682 6.097 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.654 4.753 7.444 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.111 5.187 6.670 1.00 0.00 H new ATOM 188 N LYS A 16 -6.361 5.361 5.903 1.00 0.00 N ATOM 189 CA LYS A 16 -7.496 4.525 6.273 1.00 0.00 C ATOM 190 C LYS A 16 -7.750 3.453 5.217 1.00 0.00 C ATOM 191 O LYS A 16 -8.020 2.298 5.546 1.00 0.00 O ATOM 192 CB LYS A 16 -8.750 5.383 6.455 1.00 0.00 C ATOM 193 CG LYS A 16 -9.862 4.682 7.217 1.00 0.00 C ATOM 194 CD LYS A 16 -11.142 5.500 7.214 1.00 0.00 C ATOM 195 CE LYS A 16 -12.359 4.634 7.501 1.00 0.00 C ATOM 196 NZ LYS A 16 -12.529 4.382 8.959 1.00 0.00 N ATOM 0 H LYS A 16 -6.469 6.347 6.141 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.260 4.032 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.480 6.298 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.123 5.678 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.052 3.706 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.545 4.505 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.072 6.290 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.261 5.987 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.252 5.122 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.260 3.683 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.369 3.788 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.688 3.894 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.649 5.288 9.456 1.00 0.00 H new ATOM 210 N GLN A 17 -7.659 3.844 3.950 1.00 0.00 N ATOM 211 CA GLN A 17 -7.878 2.915 2.847 1.00 0.00 C ATOM 212 C GLN A 17 -6.876 1.767 2.896 1.00 0.00 C ATOM 213 O GLN A 17 -7.247 0.601 2.766 1.00 0.00 O ATOM 214 CB GLN A 17 -7.770 3.647 1.508 1.00 0.00 C ATOM 215 CG GLN A 17 -7.986 2.745 0.304 1.00 0.00 C ATOM 216 CD GLN A 17 -9.398 2.200 0.229 1.00 0.00 C ATOM 217 OE1 GLN A 17 -10.307 2.706 0.888 1.00 0.00 O ATOM 218 NE2 GLN A 17 -9.591 1.162 -0.577 1.00 0.00 N ATOM 0 H GLN A 17 -7.435 4.797 3.662 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.881 2.501 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.503 4.453 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.785 4.109 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.767 3.302 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.282 1.914 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.809 0.774 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.521 0.753 -0.668 1.00 0.00 H new ATOM 227 N MET A 18 -5.604 2.105 3.083 1.00 0.00 N ATOM 228 CA MET A 18 -4.548 1.101 3.149 1.00 0.00 C ATOM 229 C MET A 18 -4.812 0.109 4.277 1.00 0.00 C ATOM 230 O MET A 18 -5.010 -1.081 4.036 1.00 0.00 O ATOM 231 CB MET A 18 -3.189 1.773 3.351 1.00 0.00 C ATOM 232 CG MET A 18 -2.497 2.148 2.050 1.00 0.00 C ATOM 233 SD MET A 18 -0.730 2.439 2.262 1.00 0.00 S ATOM 234 CE MET A 18 -0.597 4.135 1.703 1.00 0.00 C ATOM 0 H MET A 18 -5.280 3.066 3.191 1.00 0.00 H new ATOM 0 HA MET A 18 -4.538 0.556 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.323 2.671 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.542 1.103 3.917 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.645 1.351 1.321 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.962 3.045 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.284 4.597 2.148 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.507 4.154 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.487 4.688 2.003 1.00 0.00 H new ATOM 244 N ASN A 19 -4.811 0.607 5.509 1.00 0.00 N ATOM 245 CA ASN A 19 -5.049 -0.236 6.675 1.00 0.00 C ATOM 246 C ASN A 19 -6.375 -0.980 6.547 1.00 0.00 C ATOM 247 O ASN A 19 -6.502 -2.123 6.983 1.00 0.00 O ATOM 248 CB ASN A 19 -5.046 0.608 7.951 1.00 0.00 C ATOM 249 CG ASN A 19 -5.758 1.935 7.767 1.00 0.00 C ATOM 250 OD1 ASN A 19 -6.987 2.002 7.800 1.00 0.00 O ATOM 251 ND2 ASN A 19 -4.987 2.998 7.573 1.00 0.00 N ATOM 0 H ASN A 19 -4.648 1.590 5.726 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.245 -0.970 6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.526 0.049 8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.017 0.791 8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.409 3.917 7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.972 2.895 7.553 1.00 0.00 H new ATOM 258 N ALA A 20 -7.360 -0.322 5.944 1.00 0.00 N ATOM 259 CA ALA A 20 -8.676 -0.921 5.756 1.00 0.00 C ATOM 260 C ALA A 20 -8.576 -2.234 4.987 1.00 0.00 C ATOM 261 O ALA A 20 -9.298 -3.189 5.276 1.00 0.00 O ATOM 262 CB ALA A 20 -9.598 0.048 5.031 1.00 0.00 C ATOM 0 H ALA A 20 -7.272 0.626 5.577 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.094 -1.136 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.577 -0.412 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.703 0.960 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.176 0.292 4.056 1.00 0.00 H new ATOM 268 N ILE A 21 -7.678 -2.275 4.009 1.00 0.00 N ATOM 269 CA ILE A 21 -7.484 -3.472 3.200 1.00 0.00 C ATOM 270 C ILE A 21 -6.774 -4.563 3.994 1.00 0.00 C ATOM 271 O ILE A 21 -7.311 -5.654 4.186 1.00 0.00 O ATOM 272 CB ILE A 21 -6.672 -3.167 1.928 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.448 -2.214 1.017 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.335 -4.455 1.192 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.571 -1.461 0.041 1.00 0.00 C ATOM 0 H ILE A 21 -7.073 -1.493 3.757 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.475 -3.822 2.912 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.739 -2.683 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.192 -2.783 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.991 -1.497 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.761 -4.222 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.746 -5.102 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.256 -4.965 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.189 -0.805 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.843 -0.865 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.048 -2.170 -0.600 1.00 0.00 H new ATOM 287 N ILE A 22 -5.565 -4.261 4.454 1.00 0.00 N ATOM 288 CA ILE A 22 -4.782 -5.215 5.229 1.00 0.00 C ATOM 289 C ILE A 22 -5.558 -5.698 6.450 1.00 0.00 C ATOM 290 O ILE A 22 -5.802 -6.894 6.610 1.00 0.00 O ATOM 291 CB ILE A 22 -3.447 -4.603 5.692 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.457 -4.542 4.527 1.00 0.00 C ATOM 293 CG2 ILE A 22 -2.867 -5.408 6.845 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.282 -5.865 3.814 1.00 0.00 C ATOM 0 H ILE A 22 -5.106 -3.363 4.303 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.576 -6.061 4.574 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.632 -3.587 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.797 -3.794 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.489 -4.209 4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.924 -4.963 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.568 -5.404 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.694 -6.434 6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.567 -5.748 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.912 -6.611 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.241 -6.190 3.410 1.00 0.00 H new ATOM 306 N ASP A 23 -5.944 -4.760 7.308 1.00 0.00 N ATOM 307 CA ASP A 23 -6.695 -5.089 8.514 1.00 0.00 C ATOM 308 C ASP A 23 -7.633 -6.265 8.266 1.00 0.00 C ATOM 309 O ASP A 23 -7.646 -7.235 9.025 1.00 0.00 O ATOM 310 CB ASP A 23 -7.494 -3.875 8.990 1.00 0.00 C ATOM 311 CG ASP A 23 -8.104 -4.085 10.362 1.00 0.00 C ATOM 312 OD1 ASP A 23 -8.569 -5.210 10.638 1.00 0.00 O ATOM 313 OD2 ASP A 23 -8.116 -3.124 11.160 1.00 0.00 O ATOM 0 H ASP A 23 -5.749 -3.766 7.191 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.983 -5.373 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.842 -3.002 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.286 -3.661 8.272 1.00 0.00 H new ATOM 318 N THR A 24 -8.420 -6.173 7.198 1.00 0.00 N ATOM 319 CA THR A 24 -9.364 -7.228 6.851 1.00 0.00 C ATOM 320 C THR A 24 -8.639 -8.530 6.530 1.00 0.00 C ATOM 321 O THR A 24 -8.849 -9.548 7.189 1.00 0.00 O ATOM 322 CB THR A 24 -10.235 -6.828 5.645 1.00 0.00 C ATOM 323 OG1 THR A 24 -10.973 -5.639 5.947 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.196 -7.948 5.277 1.00 0.00 C ATOM 0 H THR A 24 -8.422 -5.378 6.559 1.00 0.00 H new ATOM 0 HA THR A 24 -10.005 -7.377 7.720 1.00 0.00 H new ATOM 0 HB THR A 24 -9.578 -6.641 4.796 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.429 -4.853 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.801 -7.643 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.630 -8.843 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.847 -8.162 6.125 1.00 0.00 H new ATOM 332 N VAL A 25 -7.784 -8.491 5.512 1.00 0.00 N ATOM 333 CA VAL A 25 -7.026 -9.668 5.105 1.00 0.00 C ATOM 334 C VAL A 25 -6.428 -10.382 6.312 1.00 0.00 C ATOM 335 O VAL A 25 -6.657 -11.575 6.516 1.00 0.00 O ATOM 336 CB VAL A 25 -5.893 -9.296 4.130 1.00 0.00 C ATOM 337 CG1 VAL A 25 -4.996 -10.497 3.870 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.467 -8.758 2.828 1.00 0.00 C ATOM 0 H VAL A 25 -7.599 -7.657 4.955 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.725 -10.336 4.601 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.288 -8.512 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.202 -10.215 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.557 -10.834 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.586 -11.304 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.653 -8.500 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.096 -9.519 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.064 -7.869 3.033 1.00 0.00 H new ATOM 348 N ILE A 26 -5.663 -9.645 7.110 1.00 0.00 N ATOM 349 CA ILE A 26 -5.034 -10.207 8.298 1.00 0.00 C ATOM 350 C ILE A 26 -6.079 -10.727 9.280 1.00 0.00 C ATOM 351 O ILE A 26 -5.908 -11.786 9.882 1.00 0.00 O ATOM 352 CB ILE A 26 -4.148 -9.169 9.011 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.981 -8.759 8.112 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.637 -9.726 10.331 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.041 -7.764 8.757 1.00 0.00 C ATOM 0 H ILE A 26 -5.464 -8.657 6.955 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.410 -11.035 7.962 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.748 -8.284 9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.418 -9.650 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.376 -8.329 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.012 -8.981 10.823 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.482 -9.972 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.050 -10.625 10.144 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.238 -7.519 8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.590 -6.857 9.012 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.617 -8.198 9.663 1.00 0.00 H new ATOM 367 N ASN A 27 -7.164 -9.974 9.434 1.00 0.00 N ATOM 368 CA ASN A 27 -8.239 -10.360 10.342 1.00 0.00 C ATOM 369 C ASN A 27 -9.363 -11.063 9.587 1.00 0.00 C ATOM 370 O ASN A 27 -10.540 -10.893 9.905 1.00 0.00 O ATOM 371 CB ASN A 27 -8.788 -9.129 11.067 1.00 0.00 C ATOM 372 CG ASN A 27 -7.810 -8.573 12.083 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.752 -9.034 13.223 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.034 -7.576 11.673 1.00 0.00 N ATOM 0 H ASN A 27 -7.322 -9.094 8.943 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.830 -11.054 11.076 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.027 -8.357 10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.719 -9.392 11.569 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.356 -7.161 12.312 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.116 -7.225 10.719 1.00 0.00 H new ATOM 381 N TYR A 28 -8.991 -11.853 8.586 1.00 0.00 N ATOM 382 CA TYR A 28 -9.967 -12.581 7.784 1.00 0.00 C ATOM 383 C TYR A 28 -9.894 -14.079 8.064 1.00 0.00 C ATOM 384 O TYR A 28 -8.811 -14.641 8.223 1.00 0.00 O ATOM 385 CB TYR A 28 -9.734 -12.317 6.295 1.00 0.00 C ATOM 386 CG TYR A 28 -10.413 -13.319 5.389 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.875 -14.585 5.193 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.594 -13.000 4.729 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.491 -15.503 4.366 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.218 -13.912 3.900 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.663 -15.162 3.722 1.00 0.00 C ATOM 392 OH TYR A 28 -12.281 -16.075 2.897 1.00 0.00 O ATOM 0 H TYR A 28 -8.021 -12.006 8.311 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.961 -12.227 8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.094 -11.317 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.662 -12.328 6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.959 -14.856 5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.031 -12.022 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.058 -16.482 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.135 -13.648 3.394 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.095 -15.679 2.522 1.00 0.00 H new ATOM 402 N LYS A 29 -11.057 -14.720 8.121 1.00 0.00 N ATOM 403 CA LYS A 29 -11.128 -16.154 8.380 1.00 0.00 C ATOM 404 C LYS A 29 -11.545 -16.913 7.124 1.00 0.00 C ATOM 405 O LYS A 29 -12.367 -16.434 6.343 1.00 0.00 O ATOM 406 CB LYS A 29 -12.115 -16.440 9.514 1.00 0.00 C ATOM 407 CG LYS A 29 -13.491 -15.836 9.289 1.00 0.00 C ATOM 408 CD LYS A 29 -14.514 -16.403 10.259 1.00 0.00 C ATOM 409 CE LYS A 29 -15.922 -16.331 9.689 1.00 0.00 C ATOM 410 NZ LYS A 29 -16.225 -17.495 8.811 1.00 0.00 N ATOM 0 H LYS A 29 -11.963 -14.269 7.991 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.136 -16.495 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.216 -17.519 9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.706 -16.053 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.438 -14.754 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.812 -16.030 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.265 -17.439 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.472 -15.851 11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.643 -16.295 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.037 -15.408 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.194 -17.409 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.553 -17.516 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.140 -18.375 9.359 1.00 0.00 H new ATOM 506 N LEU A 36 -5.558 -17.048 8.254 1.00 0.00 N ATOM 507 CA LEU A 36 -4.525 -17.530 7.343 1.00 0.00 C ATOM 508 C LEU A 36 -3.239 -16.726 7.505 1.00 0.00 C ATOM 509 O LEU A 36 -2.153 -17.292 7.631 1.00 0.00 O ATOM 510 CB LEU A 36 -5.014 -17.447 5.896 1.00 0.00 C ATOM 511 CG LEU A 36 -6.384 -18.065 5.614 1.00 0.00 C ATOM 512 CD1 LEU A 36 -7.494 -17.084 5.959 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.485 -18.496 4.158 1.00 0.00 C ATOM 0 HA LEU A 36 -4.314 -18.571 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.044 -16.397 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.279 -17.935 5.256 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.499 -18.948 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.461 -17.542 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.434 -16.824 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.383 -16.182 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.466 -18.934 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.348 -17.629 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.713 -19.235 3.943 1.00 0.00 H new ATOM 525 N SER A 37 -3.370 -15.403 7.501 1.00 0.00 N ATOM 526 CA SER A 37 -2.218 -14.521 7.645 1.00 0.00 C ATOM 527 C SER A 37 -1.409 -14.882 8.888 1.00 0.00 C ATOM 528 O SER A 37 -0.261 -14.464 9.037 1.00 0.00 O ATOM 529 CB SER A 37 -2.672 -13.062 7.725 1.00 0.00 C ATOM 530 OG SER A 37 -2.729 -12.474 6.437 1.00 0.00 O ATOM 0 H SER A 37 -4.262 -14.919 7.400 1.00 0.00 H new ATOM 0 HA SER A 37 -1.583 -14.649 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.653 -13.009 8.196 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.985 -12.498 8.356 1.00 0.00 H new ATOM 0 HG SER A 37 -1.889 -12.002 6.255 1.00 0.00 H new ATOM 536 N GLU A 38 -2.017 -15.662 9.776 1.00 0.00 N ATOM 537 CA GLU A 38 -1.354 -16.079 11.006 1.00 0.00 C ATOM 538 C GLU A 38 -0.012 -16.740 10.703 1.00 0.00 C ATOM 539 O GLU A 38 0.970 -16.532 11.416 1.00 0.00 O ATOM 540 CB GLU A 38 -2.245 -17.045 11.790 1.00 0.00 C ATOM 541 CG GLU A 38 -3.241 -16.349 12.703 1.00 0.00 C ATOM 542 CD GLU A 38 -2.631 -15.948 14.033 1.00 0.00 C ATOM 543 OE1 GLU A 38 -2.072 -14.835 14.118 1.00 0.00 O ATOM 544 OE2 GLU A 38 -2.714 -16.749 14.988 1.00 0.00 O ATOM 0 H GLU A 38 -2.967 -16.018 9.667 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.174 -15.190 11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.789 -17.676 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.615 -17.703 12.388 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.628 -15.461 12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.089 -17.010 12.881 1.00 0.00 H new ATOM 551 N VAL A 39 0.021 -17.539 9.641 1.00 0.00 N ATOM 552 CA VAL A 39 1.241 -18.231 9.243 1.00 0.00 C ATOM 553 C VAL A 39 2.109 -17.347 8.355 1.00 0.00 C ATOM 554 O VAL A 39 3.171 -17.765 7.892 1.00 0.00 O ATOM 555 CB VAL A 39 0.926 -19.540 8.495 1.00 0.00 C ATOM 556 CG1 VAL A 39 -0.170 -20.313 9.211 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.531 -19.248 7.055 1.00 0.00 C ATOM 0 H VAL A 39 -0.783 -17.723 9.041 1.00 0.00 H new ATOM 0 HA VAL A 39 1.784 -18.467 10.158 1.00 0.00 H new ATOM 0 HB VAL A 39 1.824 -20.157 8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.379 -21.235 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.156 -20.554 10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.074 -19.705 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.312 -20.184 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.354 -18.611 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.351 -18.739 6.549 1.00 0.00 H new ATOM 567 N PHE A 40 1.651 -16.122 8.120 1.00 0.00 N ATOM 568 CA PHE A 40 2.385 -15.177 7.286 1.00 0.00 C ATOM 569 C PHE A 40 2.751 -13.924 8.076 1.00 0.00 C ATOM 570 O PHE A 40 3.224 -12.938 7.510 1.00 0.00 O ATOM 571 CB PHE A 40 1.555 -14.796 6.058 1.00 0.00 C ATOM 572 CG PHE A 40 1.178 -15.971 5.201 1.00 0.00 C ATOM 573 CD1 PHE A 40 0.043 -16.714 5.481 1.00 0.00 C ATOM 574 CD2 PHE A 40 1.960 -16.331 4.115 1.00 0.00 C ATOM 575 CE1 PHE A 40 -0.305 -17.795 4.694 1.00 0.00 C ATOM 576 CE2 PHE A 40 1.616 -17.411 3.324 1.00 0.00 C ATOM 577 CZ PHE A 40 0.482 -18.144 3.613 1.00 0.00 C ATOM 0 H PHE A 40 0.774 -15.760 8.496 1.00 0.00 H new ATOM 0 HA PHE A 40 3.306 -15.660 6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.647 -14.289 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.118 -14.083 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.577 -16.445 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.848 -15.761 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.192 -18.367 4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.234 -17.681 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.211 -18.988 2.996 1.00 0.00 H new ATOM 587 N ILE A 41 2.527 -13.971 9.384 1.00 0.00 N ATOM 588 CA ILE A 41 2.833 -12.840 10.252 1.00 0.00 C ATOM 589 C ILE A 41 4.335 -12.583 10.311 1.00 0.00 C ATOM 590 O ILE A 41 4.835 -11.632 9.711 1.00 0.00 O ATOM 591 CB ILE A 41 2.307 -13.069 11.681 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.797 -13.319 11.658 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.637 -11.875 12.564 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.027 -12.298 10.851 1.00 0.00 C ATOM 0 H ILE A 41 2.135 -14.780 9.867 1.00 0.00 H new ATOM 0 HA ILE A 41 2.334 -11.970 9.825 1.00 0.00 H new ATOM 0 HB ILE A 41 2.797 -13.950 12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.608 -14.311 11.249 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.421 -13.319 12.681 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.259 -12.052 13.571 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.718 -11.738 12.601 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.171 -10.979 12.153 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.036 -12.538 10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.186 -11.306 11.273 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.375 -12.313 9.818 1.00 0.00 H new ATOM 606 N GLN A 42 5.048 -13.439 11.036 1.00 0.00 N ATOM 607 CA GLN A 42 6.494 -13.304 11.172 1.00 0.00 C ATOM 608 C GLN A 42 7.220 -14.265 10.236 1.00 0.00 C ATOM 609 O GLN A 42 6.624 -15.206 9.710 1.00 0.00 O ATOM 610 CB GLN A 42 6.918 -13.565 12.618 1.00 0.00 C ATOM 611 CG GLN A 42 6.634 -12.401 13.554 1.00 0.00 C ATOM 612 CD GLN A 42 6.719 -12.793 15.016 1.00 0.00 C ATOM 613 OE1 GLN A 42 5.779 -13.359 15.575 1.00 0.00 O ATOM 614 NE2 GLN A 42 7.850 -12.495 15.644 1.00 0.00 N ATOM 0 H GLN A 42 4.649 -14.232 11.538 1.00 0.00 H new ATOM 0 HA GLN A 42 6.766 -12.284 10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.400 -14.451 12.986 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.985 -13.787 12.641 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.344 -11.598 13.355 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.640 -12.006 13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.604 -12.025 15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.965 -12.736 16.628 1.00 0.00 H new ATOM 623 N LEU A 43 8.510 -14.022 10.031 1.00 0.00 N ATOM 624 CA LEU A 43 9.318 -14.866 9.158 1.00 0.00 C ATOM 625 C LEU A 43 10.498 -15.464 9.918 1.00 0.00 C ATOM 626 O LEU A 43 10.929 -14.948 10.950 1.00 0.00 O ATOM 627 CB LEU A 43 9.824 -14.058 7.961 1.00 0.00 C ATOM 628 CG LEU A 43 8.871 -13.955 6.770 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.395 -12.952 5.754 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.675 -15.319 6.124 1.00 0.00 C ATOM 0 H LEU A 43 9.019 -13.248 10.457 1.00 0.00 H new ATOM 0 HA LEU A 43 8.690 -15.682 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.058 -13.049 8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.758 -14.503 7.616 1.00 0.00 H new ATOM 0 HG LEU A 43 7.904 -13.605 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.704 -12.891 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.483 -11.972 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.374 -13.273 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.994 -15.226 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.636 -15.698 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.255 -16.010 6.854 1.00 0.00 H new ATOM 642 N PRO A 44 11.035 -16.577 9.397 1.00 0.00 N ATOM 643 CA PRO A 44 12.174 -17.267 10.008 1.00 0.00 C ATOM 644 C PRO A 44 13.468 -16.469 9.889 1.00 0.00 C ATOM 645 O PRO A 44 13.833 -16.019 8.803 1.00 0.00 O ATOM 646 CB PRO A 44 12.272 -18.568 9.207 1.00 0.00 C ATOM 647 CG PRO A 44 11.658 -18.248 7.888 1.00 0.00 C ATOM 648 CD PRO A 44 10.572 -17.246 8.170 1.00 0.00 C ATOM 0 HA PRO A 44 12.032 -17.419 11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.308 -18.886 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.741 -19.380 9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.399 -17.838 7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.251 -19.144 7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.453 -16.540 7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.607 -17.730 8.316 1.00 0.00 H new ATOM 656 N SER A 45 14.158 -16.298 11.012 1.00 0.00 N ATOM 657 CA SER A 45 15.410 -15.551 11.034 1.00 0.00 C ATOM 658 C SER A 45 16.344 -16.024 9.924 1.00 0.00 C ATOM 659 O SER A 45 16.047 -16.986 9.216 1.00 0.00 O ATOM 660 CB SER A 45 16.097 -15.704 12.392 1.00 0.00 C ATOM 661 OG SER A 45 15.326 -15.112 13.423 1.00 0.00 O ATOM 0 H SER A 45 13.871 -16.667 11.919 1.00 0.00 H new ATOM 0 HA SER A 45 15.179 -14.499 10.868 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.249 -16.761 12.609 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.083 -15.240 12.359 1.00 0.00 H new ATOM 0 HG SER A 45 15.786 -15.225 14.281 1.00 0.00 H new ATOM 667 N ARG A 46 17.474 -15.339 9.778 1.00 0.00 N ATOM 668 CA ARG A 46 18.451 -15.687 8.753 1.00 0.00 C ATOM 669 C ARG A 46 19.317 -16.860 9.204 1.00 0.00 C ATOM 670 O ARG A 46 19.623 -17.758 8.419 1.00 0.00 O ATOM 671 CB ARG A 46 19.335 -14.481 8.431 1.00 0.00 C ATOM 672 CG ARG A 46 18.612 -13.382 7.669 1.00 0.00 C ATOM 673 CD ARG A 46 17.977 -12.374 8.615 1.00 0.00 C ATOM 674 NE ARG A 46 18.885 -11.276 8.934 1.00 0.00 N ATOM 675 CZ ARG A 46 18.556 -10.254 9.716 1.00 0.00 C ATOM 676 NH1 ARG A 46 17.346 -10.190 10.255 1.00 0.00 N ATOM 677 NH2 ARG A 46 19.438 -9.293 9.960 1.00 0.00 N ATOM 0 H ARG A 46 17.735 -14.540 10.356 1.00 0.00 H new ATOM 0 HA ARG A 46 17.909 -15.982 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.726 -14.069 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.191 -14.815 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 46 19.314 -12.872 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.843 -13.823 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.069 -11.974 8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 46 17.680 -12.877 9.535 1.00 0.00 H new ATOM 0 HE ARG A 46 19.823 -11.295 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.665 -10.927 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.096 -9.404 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 46 20.369 -9.339 9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.184 -8.509 10.561 1.00 0.00 H new ATOM 691 N LYS A 47 19.710 -16.845 10.473 1.00 0.00 N ATOM 692 CA LYS A 47 20.540 -17.906 11.031 1.00 0.00 C ATOM 693 C LYS A 47 19.807 -19.243 10.999 1.00 0.00 C ATOM 694 O LYS A 47 20.343 -20.244 10.524 1.00 0.00 O ATOM 695 CB LYS A 47 20.942 -17.566 12.468 1.00 0.00 C ATOM 696 CG LYS A 47 21.719 -18.673 13.160 1.00 0.00 C ATOM 697 CD LYS A 47 23.203 -18.594 12.845 1.00 0.00 C ATOM 698 CE LYS A 47 23.976 -19.718 13.517 1.00 0.00 C ATOM 699 NZ LYS A 47 23.704 -21.036 12.880 1.00 0.00 N ATOM 0 H LYS A 47 19.467 -16.109 11.135 1.00 0.00 H new ATOM 0 HA LYS A 47 21.439 -17.990 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.546 -16.658 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.044 -17.348 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.571 -18.604 14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.331 -19.642 12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 47 23.350 -18.644 11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 47 23.596 -17.633 13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.044 -19.504 13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.708 -19.763 14.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.324 -21.758 13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 22.710 -21.299 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 23.887 -20.972 11.858 1.00 0.00 H new ATOM 713 N GLU A 48 18.579 -19.252 11.507 1.00 0.00 N ATOM 714 CA GLU A 48 17.773 -20.467 11.536 1.00 0.00 C ATOM 715 C GLU A 48 17.621 -21.052 10.135 1.00 0.00 C ATOM 716 O GLU A 48 18.007 -22.194 9.881 1.00 0.00 O ATOM 717 CB GLU A 48 16.394 -20.177 12.133 1.00 0.00 C ATOM 718 CG GLU A 48 16.438 -19.762 13.594 1.00 0.00 C ATOM 719 CD GLU A 48 16.444 -20.948 14.538 1.00 0.00 C ATOM 720 OE1 GLU A 48 15.548 -21.809 14.413 1.00 0.00 O ATOM 721 OE2 GLU A 48 17.344 -21.015 15.402 1.00 0.00 O ATOM 0 H GLU A 48 18.120 -18.432 11.904 1.00 0.00 H new ATOM 0 HA GLU A 48 18.285 -21.198 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.916 -19.387 11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.771 -21.066 12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.328 -19.158 13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.577 -19.131 13.815 1.00 0.00 H new ATOM 728 N LEU A 49 17.055 -20.262 9.229 1.00 0.00 N ATOM 729 CA LEU A 49 16.850 -20.701 7.853 1.00 0.00 C ATOM 730 C LEU A 49 17.354 -19.652 6.867 1.00 0.00 C ATOM 731 O LEU A 49 16.596 -18.821 6.365 1.00 0.00 O ATOM 732 CB LEU A 49 15.367 -20.982 7.602 1.00 0.00 C ATOM 733 CG LEU A 49 15.022 -21.608 6.250 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.845 -22.866 6.019 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.535 -21.919 6.171 1.00 0.00 C ATOM 0 H LEU A 49 16.730 -19.315 9.422 1.00 0.00 H new ATOM 0 HA LEU A 49 17.418 -21.619 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.005 -21.643 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.819 -20.044 7.696 1.00 0.00 H new ATOM 0 HG LEU A 49 15.265 -20.891 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.586 -23.298 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.905 -22.614 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.634 -23.589 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.307 -22.364 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.267 -22.618 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.964 -20.998 6.291 1.00 0.00 H new ATOM 747 N PRO A 50 18.663 -19.691 6.580 1.00 0.00 N ATOM 748 CA PRO A 50 19.298 -18.753 5.649 1.00 0.00 C ATOM 749 C PRO A 50 18.874 -18.994 4.204 1.00 0.00 C ATOM 750 O PRO A 50 18.629 -18.049 3.454 1.00 0.00 O ATOM 751 CB PRO A 50 20.792 -19.037 5.822 1.00 0.00 C ATOM 752 CG PRO A 50 20.856 -20.445 6.302 1.00 0.00 C ATOM 753 CD PRO A 50 19.626 -20.654 7.141 1.00 0.00 C ATOM 0 HA PRO A 50 19.020 -17.720 5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.330 -18.914 4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 50 21.245 -18.353 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.880 -21.142 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.760 -20.617 6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.259 -21.678 7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.821 -20.459 8.196 1.00 0.00 H new ATOM 761 N GLU A 51 18.789 -20.264 3.821 1.00 0.00 N ATOM 762 CA GLU A 51 18.394 -20.627 2.465 1.00 0.00 C ATOM 763 C GLU A 51 17.122 -19.892 2.053 1.00 0.00 C ATOM 764 O GLU A 51 16.988 -19.454 0.910 1.00 0.00 O ATOM 765 CB GLU A 51 18.180 -22.138 2.360 1.00 0.00 C ATOM 766 CG GLU A 51 17.421 -22.729 3.537 1.00 0.00 C ATOM 767 CD GLU A 51 17.014 -24.171 3.305 1.00 0.00 C ATOM 768 OE1 GLU A 51 17.882 -25.059 3.430 1.00 0.00 O ATOM 769 OE2 GLU A 51 15.827 -24.410 2.997 1.00 0.00 O ATOM 0 H GLU A 51 18.988 -21.058 4.430 1.00 0.00 H new ATOM 0 HA GLU A 51 19.197 -20.333 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.636 -22.356 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.150 -22.629 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.042 -22.670 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.530 -22.130 3.727 1.00 0.00 H new ATOM 776 N TYR A 52 16.191 -19.761 2.991 1.00 0.00 N ATOM 777 CA TYR A 52 14.929 -19.082 2.726 1.00 0.00 C ATOM 778 C TYR A 52 15.166 -17.732 2.058 1.00 0.00 C ATOM 779 O TYR A 52 14.412 -17.322 1.175 1.00 0.00 O ATOM 780 CB TYR A 52 14.146 -18.890 4.026 1.00 0.00 C ATOM 781 CG TYR A 52 12.855 -18.124 3.848 1.00 0.00 C ATOM 782 CD1 TYR A 52 11.682 -18.775 3.488 1.00 0.00 C ATOM 783 CD2 TYR A 52 12.808 -16.748 4.041 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.500 -18.078 3.324 1.00 0.00 C ATOM 785 CE2 TYR A 52 11.630 -16.044 3.880 1.00 0.00 C ATOM 786 CZ TYR A 52 10.479 -16.713 3.521 1.00 0.00 C ATOM 787 OH TYR A 52 9.304 -16.017 3.359 1.00 0.00 O ATOM 0 H TYR A 52 16.287 -20.116 3.942 1.00 0.00 H new ATOM 0 HA TYR A 52 14.346 -19.705 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.923 -19.868 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.775 -18.364 4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.694 -19.844 3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.708 -16.220 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.597 -18.600 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.611 -14.975 4.035 1.00 0.00 H new ATOM 0 HH TYR A 52 9.460 -15.066 3.536 1.00 0.00 H new ATOM 797 N TYR A 53 16.220 -17.045 2.485 1.00 0.00 N ATOM 798 CA TYR A 53 16.558 -15.739 1.930 1.00 0.00 C ATOM 799 C TYR A 53 17.370 -15.886 0.647 1.00 0.00 C ATOM 800 O TYR A 53 17.452 -14.958 -0.157 1.00 0.00 O ATOM 801 CB TYR A 53 17.342 -14.915 2.952 1.00 0.00 C ATOM 802 CG TYR A 53 16.511 -14.460 4.130 1.00 0.00 C ATOM 803 CD1 TYR A 53 16.246 -15.318 5.191 1.00 0.00 C ATOM 804 CD2 TYR A 53 15.991 -13.173 4.183 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.486 -14.906 6.269 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.232 -12.752 5.258 1.00 0.00 C ATOM 807 CZ TYR A 53 14.981 -13.623 6.298 1.00 0.00 C ATOM 808 OH TYR A 53 14.225 -13.209 7.370 1.00 0.00 O ATOM 0 H TYR A 53 16.855 -17.371 3.214 1.00 0.00 H new ATOM 0 HA TYR A 53 15.629 -15.222 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 53 18.181 -15.508 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.762 -14.040 2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.641 -16.323 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.183 -12.489 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.288 -15.585 7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.838 -11.747 5.284 1.00 0.00 H new ATOM 0 HH TYR A 53 14.008 -13.980 7.934 1.00 0.00 H new ATOM 818 N GLU A 54 17.967 -17.060 0.463 1.00 0.00 N ATOM 819 CA GLU A 54 18.773 -17.329 -0.722 1.00 0.00 C ATOM 820 C GLU A 54 17.893 -17.440 -1.964 1.00 0.00 C ATOM 821 O GLU A 54 18.028 -16.658 -2.906 1.00 0.00 O ATOM 822 CB GLU A 54 19.578 -18.616 -0.537 1.00 0.00 C ATOM 823 CG GLU A 54 20.949 -18.393 0.080 1.00 0.00 C ATOM 824 CD GLU A 54 21.927 -19.502 -0.257 1.00 0.00 C ATOM 825 OE1 GLU A 54 22.537 -19.444 -1.345 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.082 -20.428 0.567 1.00 0.00 O ATOM 0 H GLU A 54 17.908 -17.839 1.119 1.00 0.00 H new ATOM 0 HA GLU A 54 19.462 -16.495 -0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.012 -19.301 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.699 -19.101 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.350 -17.441 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.848 -18.319 1.163 1.00 0.00 H new ATOM 833 N LEU A 55 16.994 -18.418 -1.959 1.00 0.00 N ATOM 834 CA LEU A 55 16.092 -18.633 -3.085 1.00 0.00 C ATOM 835 C LEU A 55 15.114 -17.471 -3.230 1.00 0.00 C ATOM 836 O LEU A 55 14.882 -16.976 -4.333 1.00 0.00 O ATOM 837 CB LEU A 55 15.321 -19.942 -2.903 1.00 0.00 C ATOM 838 CG LEU A 55 15.095 -20.393 -1.460 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.762 -21.114 -1.329 1.00 0.00 C ATOM 840 CD2 LEU A 55 16.235 -21.287 -0.995 1.00 0.00 C ATOM 0 H LEU A 55 16.870 -19.074 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 55 16.693 -18.694 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.350 -19.838 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.856 -20.732 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 55 15.071 -19.509 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.618 -21.428 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.955 -20.442 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.757 -21.990 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 55 16.057 -21.598 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.292 -22.167 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.174 -20.737 -1.050 1.00 0.00 H new ATOM 852 N ILE A 56 14.547 -17.039 -2.109 1.00 0.00 N ATOM 853 CA ILE A 56 13.597 -15.932 -2.111 1.00 0.00 C ATOM 854 C ILE A 56 14.292 -14.613 -2.427 1.00 0.00 C ATOM 855 O ILE A 56 15.396 -14.350 -1.948 1.00 0.00 O ATOM 856 CB ILE A 56 12.875 -15.808 -0.757 1.00 0.00 C ATOM 857 CG1 ILE A 56 12.176 -17.123 -0.404 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.873 -14.663 -0.794 1.00 0.00 C ATOM 859 CD1 ILE A 56 11.150 -17.555 -1.428 1.00 0.00 C ATOM 0 H ILE A 56 14.728 -17.438 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 56 12.862 -16.147 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 56 13.615 -15.593 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.926 -17.907 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.688 -17.017 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.371 -14.588 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.395 -13.730 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.135 -14.850 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.695 -18.494 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.379 -16.789 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.636 -17.693 -2.394 1.00 0.00 H new ATOM 871 N ARG A 57 13.639 -13.784 -3.235 1.00 0.00 N ATOM 872 CA ARG A 57 14.194 -12.491 -3.615 1.00 0.00 C ATOM 873 C ARG A 57 13.904 -11.440 -2.547 1.00 0.00 C ATOM 874 O ARG A 57 14.821 -10.870 -1.956 1.00 0.00 O ATOM 875 CB ARG A 57 13.618 -12.039 -4.958 1.00 0.00 C ATOM 876 CG ARG A 57 14.047 -12.911 -6.128 1.00 0.00 C ATOM 877 CD ARG A 57 15.391 -12.471 -6.687 1.00 0.00 C ATOM 878 NE ARG A 57 15.249 -11.417 -7.688 1.00 0.00 N ATOM 879 CZ ARG A 57 16.275 -10.869 -8.329 1.00 0.00 C ATOM 880 NH1 ARG A 57 17.512 -11.275 -8.076 1.00 0.00 N ATOM 881 NH2 ARG A 57 16.066 -9.915 -9.226 1.00 0.00 N ATOM 0 H ARG A 57 12.724 -13.985 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 57 15.274 -12.602 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.530 -12.039 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.927 -11.011 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.109 -13.950 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.292 -12.865 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 57 16.023 -12.115 -5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.897 -13.328 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 57 14.310 -11.083 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 57 17.677 -12.010 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.298 -10.853 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.116 -9.601 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.855 -9.495 -9.717 1.00 0.00 H new ATOM 895 N LYS A 58 12.622 -11.189 -2.304 1.00 0.00 N ATOM 896 CA LYS A 58 12.209 -10.208 -1.307 1.00 0.00 C ATOM 897 C LYS A 58 11.198 -10.811 -0.337 1.00 0.00 C ATOM 898 O LYS A 58 9.987 -10.648 -0.484 1.00 0.00 O ATOM 899 CB LYS A 58 11.606 -8.979 -1.990 1.00 0.00 C ATOM 900 CG LYS A 58 12.441 -8.455 -3.146 1.00 0.00 C ATOM 901 CD LYS A 58 11.659 -7.465 -3.994 1.00 0.00 C ATOM 902 CE LYS A 58 12.171 -7.433 -5.426 1.00 0.00 C ATOM 903 NZ LYS A 58 11.476 -8.431 -6.285 1.00 0.00 N ATOM 0 H LYS A 58 11.850 -11.652 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 58 13.092 -9.906 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.610 -9.229 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.485 -8.186 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.339 -7.974 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.768 -9.289 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.603 -7.735 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.735 -6.470 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.029 -6.435 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.243 -7.631 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.853 -8.378 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.633 -9.386 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.456 -8.227 -6.299 1.00 0.00 H new ATOM 917 N PRO A 59 11.705 -11.523 0.681 1.00 0.00 N ATOM 918 CA PRO A 59 10.863 -12.162 1.696 1.00 0.00 C ATOM 919 C PRO A 59 10.189 -11.147 2.613 1.00 0.00 C ATOM 920 O PRO A 59 10.661 -10.886 3.720 1.00 0.00 O ATOM 921 CB PRO A 59 11.852 -13.023 2.486 1.00 0.00 C ATOM 922 CG PRO A 59 13.170 -12.355 2.299 1.00 0.00 C ATOM 923 CD PRO A 59 13.139 -11.758 0.919 1.00 0.00 C ATOM 0 HA PRO A 59 10.045 -12.728 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.579 -13.073 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.871 -14.047 2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.328 -11.585 3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.987 -13.070 2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.712 -10.832 0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.563 -12.436 0.178 1.00 0.00 H new ATOM 931 N VAL A 60 9.083 -10.577 2.146 1.00 0.00 N ATOM 932 CA VAL A 60 8.343 -9.592 2.925 1.00 0.00 C ATOM 933 C VAL A 60 7.317 -10.264 3.830 1.00 0.00 C ATOM 934 O VAL A 60 6.858 -11.372 3.550 1.00 0.00 O ATOM 935 CB VAL A 60 7.622 -8.581 2.013 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.469 -9.251 1.281 1.00 0.00 C ATOM 937 CG2 VAL A 60 7.131 -7.390 2.822 1.00 0.00 C ATOM 0 H VAL A 60 8.680 -10.781 1.232 1.00 0.00 H new ATOM 0 HA VAL A 60 9.072 -9.062 3.538 1.00 0.00 H new ATOM 0 HB VAL A 60 8.331 -8.218 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.971 -8.522 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.852 -10.068 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.756 -9.644 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.624 -6.686 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.437 -7.733 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.980 -6.897 3.295 1.00 0.00 H new ATOM 947 N ASP A 61 6.961 -9.588 4.917 1.00 0.00 N ATOM 948 CA ASP A 61 5.987 -10.119 5.864 1.00 0.00 C ATOM 949 C ASP A 61 4.843 -9.133 6.077 1.00 0.00 C ATOM 950 O ASP A 61 4.936 -7.966 5.697 1.00 0.00 O ATOM 951 CB ASP A 61 6.662 -10.433 7.200 1.00 0.00 C ATOM 952 CG ASP A 61 7.830 -9.510 7.490 1.00 0.00 C ATOM 953 OD1 ASP A 61 7.618 -8.280 7.527 1.00 0.00 O ATOM 954 OD2 ASP A 61 8.955 -10.018 7.678 1.00 0.00 O ATOM 0 H ASP A 61 7.332 -8.671 5.164 1.00 0.00 H new ATOM 0 HA ASP A 61 5.577 -11.039 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.929 -10.350 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.012 -11.465 7.193 1.00 0.00 H new ATOM 959 N PHE A 62 3.763 -9.611 6.686 1.00 0.00 N ATOM 960 CA PHE A 62 2.599 -8.772 6.949 1.00 0.00 C ATOM 961 C PHE A 62 2.936 -7.672 7.951 1.00 0.00 C ATOM 962 O PHE A 62 2.306 -6.614 7.965 1.00 0.00 O ATOM 963 CB PHE A 62 1.441 -9.621 7.477 1.00 0.00 C ATOM 964 CG PHE A 62 0.549 -10.159 6.394 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.203 -9.301 5.608 1.00 0.00 C ATOM 966 CD2 PHE A 62 0.464 -11.522 6.163 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.024 -9.793 4.612 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.356 -12.020 5.167 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.100 -11.155 4.390 1.00 0.00 C ATOM 0 H PHE A 62 3.669 -10.575 7.007 1.00 0.00 H new ATOM 0 HA PHE A 62 2.300 -8.305 6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.845 -10.455 8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.844 -9.020 8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.147 -8.236 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.044 -12.203 6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.606 -9.114 4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.414 -13.085 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.740 -11.542 3.611 1.00 0.00 H new ATOM 979 N LYS A 63 3.935 -7.929 8.789 1.00 0.00 N ATOM 980 CA LYS A 63 4.358 -6.962 9.794 1.00 0.00 C ATOM 981 C LYS A 63 4.966 -5.726 9.139 1.00 0.00 C ATOM 982 O LYS A 63 4.548 -4.599 9.406 1.00 0.00 O ATOM 983 CB LYS A 63 5.372 -7.598 10.748 1.00 0.00 C ATOM 984 CG LYS A 63 4.846 -8.831 11.462 1.00 0.00 C ATOM 985 CD LYS A 63 4.014 -8.459 12.678 1.00 0.00 C ATOM 986 CE LYS A 63 4.887 -8.237 13.903 1.00 0.00 C ATOM 987 NZ LYS A 63 4.107 -7.693 15.049 1.00 0.00 N ATOM 0 H LYS A 63 4.467 -8.799 8.792 1.00 0.00 H new ATOM 0 HA LYS A 63 3.478 -6.655 10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.267 -7.868 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.672 -6.859 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.242 -9.421 10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.682 -9.458 11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.444 -7.554 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.292 -9.250 12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.351 -9.180 14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.694 -7.548 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.738 -7.556 15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.685 -6.781 14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.352 -8.362 15.304 1.00 0.00 H new ATOM 1001 N LYS A 64 5.956 -5.944 8.279 1.00 0.00 N ATOM 1002 CA LYS A 64 6.620 -4.849 7.583 1.00 0.00 C ATOM 1003 C LYS A 64 5.629 -4.066 6.728 1.00 0.00 C ATOM 1004 O LYS A 64 5.663 -2.836 6.691 1.00 0.00 O ATOM 1005 CB LYS A 64 7.752 -5.388 6.705 1.00 0.00 C ATOM 1006 CG LYS A 64 8.365 -4.340 5.791 1.00 0.00 C ATOM 1007 CD LYS A 64 9.435 -3.533 6.506 1.00 0.00 C ATOM 1008 CE LYS A 64 10.740 -4.308 6.612 1.00 0.00 C ATOM 1009 NZ LYS A 64 11.520 -4.256 5.344 1.00 0.00 N ATOM 0 H LYS A 64 6.316 -6.870 8.048 1.00 0.00 H new ATOM 0 HA LYS A 64 7.037 -4.176 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.532 -5.801 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.370 -6.209 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.798 -4.827 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.585 -3.671 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.607 -2.600 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.086 -3.268 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.340 -3.899 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.526 -5.347 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.402 -4.796 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.957 -4.669 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.746 -3.267 5.116 1.00 0.00 H new ATOM 1023 N ILE A 65 4.746 -4.787 6.045 1.00 0.00 N ATOM 1024 CA ILE A 65 3.744 -4.159 5.193 1.00 0.00 C ATOM 1025 C ILE A 65 2.927 -3.133 5.971 1.00 0.00 C ATOM 1026 O ILE A 65 2.610 -2.058 5.459 1.00 0.00 O ATOM 1027 CB ILE A 65 2.789 -5.203 4.583 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.495 -5.985 3.474 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.537 -4.526 4.047 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.806 -7.283 3.116 1.00 0.00 C ATOM 0 H ILE A 65 4.704 -5.806 6.065 1.00 0.00 H new ATOM 0 HA ILE A 65 4.283 -3.658 4.389 1.00 0.00 H new ATOM 0 HB ILE A 65 2.493 -5.904 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.559 -5.359 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.517 -6.200 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.872 -5.277 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.026 -4.010 4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.814 -3.806 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.362 -7.783 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.766 -7.928 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.793 -7.074 2.773 1.00 0.00 H new ATOM 1042 N LYS A 66 2.589 -3.470 7.211 1.00 0.00 N ATOM 1043 CA LYS A 66 1.812 -2.577 8.062 1.00 0.00 C ATOM 1044 C LYS A 66 2.699 -1.498 8.673 1.00 0.00 C ATOM 1045 O LYS A 66 2.298 -0.339 8.780 1.00 0.00 O ATOM 1046 CB LYS A 66 1.120 -3.372 9.172 1.00 0.00 C ATOM 1047 CG LYS A 66 0.059 -4.332 8.662 1.00 0.00 C ATOM 1048 CD LYS A 66 -1.024 -4.569 9.701 1.00 0.00 C ATOM 1049 CE LYS A 66 -0.430 -4.838 11.075 1.00 0.00 C ATOM 1050 NZ LYS A 66 0.300 -6.136 11.119 1.00 0.00 N ATOM 0 H LYS A 66 2.841 -4.356 7.649 1.00 0.00 H new ATOM 0 HA LYS A 66 1.056 -2.093 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.871 -3.935 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.661 -2.676 9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.389 -3.931 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.524 -5.282 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.679 -3.699 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.641 -5.415 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.251 -4.029 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.226 -4.843 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.690 -6.283 12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.355 -6.911 10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.075 -6.122 10.426 1.00 0.00 H new ATOM 1064 N GLU A 67 3.908 -1.885 9.069 1.00 0.00 N ATOM 1065 CA GLU A 67 4.851 -0.949 9.668 1.00 0.00 C ATOM 1066 C GLU A 67 5.077 0.254 8.757 1.00 0.00 C ATOM 1067 O GLU A 67 5.512 1.314 9.207 1.00 0.00 O ATOM 1068 CB GLU A 67 6.184 -1.645 9.952 1.00 0.00 C ATOM 1069 CG GLU A 67 7.231 -0.729 10.564 1.00 0.00 C ATOM 1070 CD GLU A 67 8.503 -1.465 10.938 1.00 0.00 C ATOM 1071 OE1 GLU A 67 8.826 -2.469 10.270 1.00 0.00 O ATOM 1072 OE2 GLU A 67 9.175 -1.036 11.899 1.00 0.00 O ATOM 0 H GLU A 67 4.257 -2.840 8.986 1.00 0.00 H new ATOM 0 HA GLU A 67 4.426 -0.596 10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.010 -2.484 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.574 -2.058 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.470 0.066 9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.817 -0.252 11.452 1.00 0.00 H new ATOM 1079 N ARG A 68 4.778 0.081 7.473 1.00 0.00 N ATOM 1080 CA ARG A 68 4.950 1.151 6.498 1.00 0.00 C ATOM 1081 C ARG A 68 3.736 2.074 6.485 1.00 0.00 C ATOM 1082 O ARG A 68 3.869 3.288 6.325 1.00 0.00 O ATOM 1083 CB ARG A 68 5.174 0.566 5.102 1.00 0.00 C ATOM 1084 CG ARG A 68 6.615 0.163 4.835 1.00 0.00 C ATOM 1085 CD ARG A 68 6.793 -0.367 3.421 1.00 0.00 C ATOM 1086 NE ARG A 68 7.885 -1.332 3.331 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.290 -1.879 2.190 1.00 0.00 C ATOM 1088 NH1 ARG A 68 7.697 -1.557 1.049 1.00 0.00 N ATOM 1089 NH2 ARG A 68 9.291 -2.750 2.189 1.00 0.00 N ATOM 0 H ARG A 68 4.416 -0.790 7.084 1.00 0.00 H new ATOM 0 HA ARG A 68 5.825 1.734 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.532 -0.306 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.866 1.299 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.268 1.022 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.919 -0.600 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.866 -0.837 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.988 0.465 2.744 1.00 0.00 H new ATOM 0 HE ARG A 68 8.363 -1.601 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.927 -0.888 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.010 -1.979 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.750 -3.000 3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.601 -3.169 1.312 1.00 0.00 H new ATOM 1103 N ILE A 69 2.554 1.491 6.653 1.00 0.00 N ATOM 1104 CA ILE A 69 1.317 2.262 6.661 1.00 0.00 C ATOM 1105 C ILE A 69 1.301 3.264 7.811 1.00 0.00 C ATOM 1106 O ILE A 69 0.774 4.369 7.678 1.00 0.00 O ATOM 1107 CB ILE A 69 0.083 1.347 6.776 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.102 0.289 5.670 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -1.195 2.169 6.708 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -1.060 -0.677 5.739 1.00 0.00 C ATOM 0 H ILE A 69 2.427 0.488 6.785 1.00 0.00 H new ATOM 0 HA ILE A 69 1.274 2.799 5.713 1.00 0.00 H new ATOM 0 HB ILE A 69 0.114 0.839 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.092 0.788 4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.035 -0.272 5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.058 1.508 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.209 2.888 7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.235 2.701 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.982 -1.398 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.040 -1.203 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.996 -0.127 5.648 1.00 0.00 H new ATOM 1122 N ARG A 70 1.883 2.871 8.939 1.00 0.00 N ATOM 1123 CA ARG A 70 1.936 3.735 10.112 1.00 0.00 C ATOM 1124 C ARG A 70 3.127 4.686 10.034 1.00 0.00 C ATOM 1125 O ARG A 70 3.134 5.740 10.667 1.00 0.00 O ATOM 1126 CB ARG A 70 2.025 2.894 11.387 1.00 0.00 C ATOM 1127 CG ARG A 70 3.375 2.225 11.583 1.00 0.00 C ATOM 1128 CD ARG A 70 3.642 1.928 13.051 1.00 0.00 C ATOM 1129 NE ARG A 70 4.718 0.957 13.226 1.00 0.00 N ATOM 1130 CZ ARG A 70 4.891 0.242 14.332 1.00 0.00 C ATOM 1131 NH1 ARG A 70 4.061 0.389 15.356 1.00 0.00 N ATOM 1132 NH2 ARG A 70 5.894 -0.622 14.416 1.00 0.00 N ATOM 0 H ARG A 70 2.324 1.960 9.065 1.00 0.00 H new ATOM 0 HA ARG A 70 1.021 4.327 10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.816 3.530 12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.250 2.128 11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.409 1.298 11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.162 2.870 11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.901 2.853 13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.732 1.548 13.515 1.00 0.00 H new ATOM 0 HE ARG A 70 5.373 0.820 12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.288 1.052 15.295 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.195 -0.161 16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.534 -0.738 13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.025 -1.170 15.266 1.00 0.00 H new ATOM 1146 N ASN A 71 4.132 4.304 9.253 1.00 0.00 N ATOM 1147 CA ASN A 71 5.329 5.121 9.092 1.00 0.00 C ATOM 1148 C ASN A 71 5.212 6.023 7.867 1.00 0.00 C ATOM 1149 O ASN A 71 6.212 6.529 7.357 1.00 0.00 O ATOM 1150 CB ASN A 71 6.567 4.231 8.968 1.00 0.00 C ATOM 1151 CG ASN A 71 7.114 3.810 10.318 1.00 0.00 C ATOM 1152 OD1 ASN A 71 6.896 4.482 11.326 1.00 0.00 O ATOM 1153 ND2 ASN A 71 7.830 2.692 10.343 1.00 0.00 N ATOM 0 H ASN A 71 4.141 3.433 8.722 1.00 0.00 H new ATOM 0 HA ASN A 71 5.430 5.751 9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.316 3.343 8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.341 4.764 8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.225 2.359 11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.985 2.167 9.483 1.00 0.00 H new ATOM 1160 N HIS A 72 3.983 6.219 7.399 1.00 0.00 N ATOM 1161 CA HIS A 72 3.734 7.061 6.234 1.00 0.00 C ATOM 1162 C HIS A 72 4.768 6.798 5.143 1.00 0.00 C ATOM 1163 O HIS A 72 5.248 7.726 4.491 1.00 0.00 O ATOM 1164 CB HIS A 72 3.757 8.537 6.630 1.00 0.00 C ATOM 1165 CG HIS A 72 2.802 8.877 7.732 1.00 0.00 C ATOM 1166 ND1 HIS A 72 1.472 9.166 7.513 1.00 0.00 N ATOM 1167 CD2 HIS A 72 2.990 8.971 9.069 1.00 0.00 C ATOM 1168 CE1 HIS A 72 0.883 9.424 8.667 1.00 0.00 C ATOM 1169 NE2 HIS A 72 1.783 9.313 9.627 1.00 0.00 N ATOM 0 H HIS A 72 3.145 5.807 7.808 1.00 0.00 H new ATOM 0 HA HIS A 72 2.747 6.814 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.767 8.806 6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.520 9.143 5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.917 8.807 9.598 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.157 9.682 8.802 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.610 9.458 10.622 1.00 0.00 H new ATOM 1178 N LYS A 73 5.108 5.528 4.950 1.00 0.00 N ATOM 1179 CA LYS A 73 6.085 5.142 3.939 1.00 0.00 C ATOM 1180 C LYS A 73 5.420 4.975 2.576 1.00 0.00 C ATOM 1181 O LYS A 73 5.718 5.710 1.635 1.00 0.00 O ATOM 1182 CB LYS A 73 6.780 3.840 4.342 1.00 0.00 C ATOM 1183 CG LYS A 73 7.801 4.015 5.453 1.00 0.00 C ATOM 1184 CD LYS A 73 9.067 4.686 4.946 1.00 0.00 C ATOM 1185 CE LYS A 73 9.937 3.715 4.163 1.00 0.00 C ATOM 1186 NZ LYS A 73 9.509 3.608 2.741 1.00 0.00 N ATOM 0 H LYS A 73 4.721 4.748 5.481 1.00 0.00 H new ATOM 0 HA LYS A 73 6.829 5.936 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.027 3.120 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.275 3.417 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.368 4.612 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.049 3.042 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.803 5.532 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.632 5.084 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.976 4.043 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.894 2.731 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.071 2.679 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.820 4.358 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.337 3.713 2.120 1.00 0.00 H new ATOM 1200 N TYR A 74 4.517 4.005 2.479 1.00 0.00 N ATOM 1201 CA TYR A 74 3.811 3.741 1.231 1.00 0.00 C ATOM 1202 C TYR A 74 3.453 5.044 0.521 1.00 0.00 C ATOM 1203 O TYR A 74 2.678 5.851 1.034 1.00 0.00 O ATOM 1204 CB TYR A 74 2.542 2.930 1.500 1.00 0.00 C ATOM 1205 CG TYR A 74 2.773 1.436 1.528 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.526 0.811 0.541 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.240 0.649 2.541 1.00 0.00 C ATOM 1208 CE1 TYR A 74 3.739 -0.554 0.562 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.449 -0.716 2.571 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.199 -1.313 1.579 1.00 0.00 C ATOM 1211 OH TYR A 74 3.410 -2.672 1.604 1.00 0.00 O ATOM 0 H TYR A 74 4.257 3.389 3.249 1.00 0.00 H new ATOM 0 HA TYR A 74 4.473 3.165 0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.117 3.241 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.804 3.161 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.952 1.402 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.652 1.113 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.325 -1.024 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.028 -1.313 3.367 1.00 0.00 H new ATOM 0 HH TYR A 74 4.010 -2.896 2.346 1.00 0.00 H new ATOM 1221 N ARG A 75 4.024 5.240 -0.663 1.00 0.00 N ATOM 1222 CA ARG A 75 3.768 6.444 -1.444 1.00 0.00 C ATOM 1223 C ARG A 75 2.331 6.462 -1.959 1.00 0.00 C ATOM 1224 O ARG A 75 1.731 7.525 -2.116 1.00 0.00 O ATOM 1225 CB ARG A 75 4.743 6.532 -2.620 1.00 0.00 C ATOM 1226 CG ARG A 75 6.139 6.983 -2.220 1.00 0.00 C ATOM 1227 CD ARG A 75 6.209 8.492 -2.048 1.00 0.00 C ATOM 1228 NE ARG A 75 7.355 8.898 -1.239 1.00 0.00 N ATOM 1229 CZ ARG A 75 7.357 8.888 0.089 1.00 0.00 C ATOM 1230 NH1 ARG A 75 6.279 8.495 0.754 1.00 0.00 N ATOM 1231 NH2 ARG A 75 8.439 9.272 0.755 1.00 0.00 N ATOM 0 H ARG A 75 4.667 4.581 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 75 3.915 7.307 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.809 5.556 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.344 7.225 -3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.427 6.496 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.856 6.669 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.271 8.966 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.291 8.846 -1.580 1.00 0.00 H new ATOM 0 HE ARG A 75 8.200 9.206 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.446 8.199 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.283 8.488 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.270 9.575 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.440 9.264 1.775 1.00 0.00 H new ATOM 1245 N SER A 76 1.787 5.278 -2.220 1.00 0.00 N ATOM 1246 CA SER A 76 0.423 5.158 -2.721 1.00 0.00 C ATOM 1247 C SER A 76 -0.123 3.754 -2.479 1.00 0.00 C ATOM 1248 O SER A 76 0.633 2.818 -2.215 1.00 0.00 O ATOM 1249 CB SER A 76 0.375 5.485 -4.215 1.00 0.00 C ATOM 1250 OG SER A 76 1.034 4.488 -4.977 1.00 0.00 O ATOM 0 H SER A 76 2.270 4.388 -2.093 1.00 0.00 H new ATOM 0 HA SER A 76 -0.200 5.870 -2.180 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.662 5.568 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.844 6.453 -4.394 1.00 0.00 H new ATOM 0 HG SER A 76 0.988 4.719 -5.928 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.442 3.615 -2.569 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.091 2.326 -2.360 1.00 0.00 C ATOM 1258 C LEU A 77 -1.511 1.266 -3.292 1.00 0.00 C ATOM 1259 O LEU A 77 -1.161 0.169 -2.859 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.599 2.450 -2.586 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.480 1.499 -1.774 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -5.949 1.846 -1.958 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -4.216 0.055 -2.174 1.00 0.00 C ATOM 0 H LEU A 77 -2.082 4.379 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.908 2.017 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.897 3.473 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.802 2.287 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.230 1.613 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.561 1.159 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.127 2.867 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.214 1.760 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.851 -0.607 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.437 -0.075 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.170 -0.188 -1.990 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.411 1.604 -4.574 1.00 0.00 N ATOM 1276 CA GLY A 78 -0.871 0.671 -5.546 1.00 0.00 C ATOM 1277 C GLY A 78 0.324 -0.094 -5.013 1.00 0.00 C ATOM 1278 O GLY A 78 0.475 -1.287 -5.279 1.00 0.00 O ATOM 0 H GLY A 78 -1.694 2.506 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.649 -0.034 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.579 1.215 -6.444 1.00 0.00 H new ATOM 1282 N ASP A 79 1.178 0.593 -4.261 1.00 0.00 N ATOM 1283 CA ASP A 79 2.366 -0.030 -3.691 1.00 0.00 C ATOM 1284 C ASP A 79 1.987 -1.201 -2.789 1.00 0.00 C ATOM 1285 O ASP A 79 2.450 -2.325 -2.986 1.00 0.00 O ATOM 1286 CB ASP A 79 3.176 0.998 -2.899 1.00 0.00 C ATOM 1287 CG ASP A 79 4.619 0.574 -2.707 1.00 0.00 C ATOM 1288 OD1 ASP A 79 4.905 -0.635 -2.837 1.00 0.00 O ATOM 1289 OD2 ASP A 79 5.462 1.452 -2.427 1.00 0.00 O ATOM 0 H ASP A 79 1.069 1.581 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 79 2.976 -0.409 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.148 1.956 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.712 1.149 -1.924 1.00 0.00 H new ATOM 1294 N LEU A 80 1.143 -0.930 -1.800 1.00 0.00 N ATOM 1295 CA LEU A 80 0.701 -1.960 -0.866 1.00 0.00 C ATOM 1296 C LEU A 80 0.387 -3.260 -1.600 1.00 0.00 C ATOM 1297 O LEU A 80 0.693 -4.348 -1.113 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.532 -1.484 -0.096 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.092 -2.457 0.942 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.176 -2.529 2.154 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.497 -2.045 1.356 1.00 0.00 C ATOM 0 H LEU A 80 0.751 -0.005 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 80 1.510 -2.148 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.283 -0.550 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.320 -1.258 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.144 -3.448 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.590 -3.226 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.811 -2.872 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.091 -1.540 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.880 -2.749 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.470 -1.044 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.149 -2.046 0.482 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.225 -3.138 -2.774 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.579 -4.305 -3.574 1.00 0.00 C ATOM 1315 C GLU A 81 0.666 -5.098 -3.960 1.00 0.00 C ATOM 1316 O GLU A 81 0.833 -6.249 -3.555 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.335 -3.876 -4.834 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.847 -5.042 -5.663 1.00 0.00 C ATOM 1319 CD GLU A 81 -2.655 -4.592 -6.865 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -3.573 -3.765 -6.687 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -2.369 -5.068 -7.983 1.00 0.00 O ATOM 0 H GLU A 81 -0.486 -2.245 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.224 -4.945 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.178 -3.248 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.678 -3.263 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.002 -5.641 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.463 -5.686 -5.036 1.00 0.00 H new ATOM 1328 N LYS A 82 1.537 -4.476 -4.746 1.00 0.00 N ATOM 1329 CA LYS A 82 2.767 -5.121 -5.188 1.00 0.00 C ATOM 1330 C LYS A 82 3.346 -6.001 -4.084 1.00 0.00 C ATOM 1331 O LYS A 82 3.830 -7.103 -4.345 1.00 0.00 O ATOM 1332 CB LYS A 82 3.796 -4.070 -5.609 1.00 0.00 C ATOM 1333 CG LYS A 82 3.469 -3.393 -6.929 1.00 0.00 C ATOM 1334 CD LYS A 82 4.441 -2.266 -7.234 1.00 0.00 C ATOM 1335 CE LYS A 82 4.296 -1.777 -8.666 1.00 0.00 C ATOM 1336 NZ LYS A 82 5.370 -0.813 -9.035 1.00 0.00 N ATOM 0 H LYS A 82 1.414 -3.524 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 82 2.530 -5.751 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.868 -3.312 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.775 -4.543 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.499 -4.128 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.453 -2.999 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.267 -1.438 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.462 -2.610 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.324 -2.629 -9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.323 -1.302 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.236 -0.503 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.328 0.012 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.298 -1.274 -8.941 1.00 0.00 H new ATOM 1350 N ASP A 83 3.292 -5.508 -2.852 1.00 0.00 N ATOM 1351 CA ASP A 83 3.809 -6.251 -1.708 1.00 0.00 C ATOM 1352 C ASP A 83 2.882 -7.408 -1.348 1.00 0.00 C ATOM 1353 O ASP A 83 3.271 -8.574 -1.418 1.00 0.00 O ATOM 1354 CB ASP A 83 3.977 -5.323 -0.504 1.00 0.00 C ATOM 1355 CG ASP A 83 4.787 -5.959 0.609 1.00 0.00 C ATOM 1356 OD1 ASP A 83 4.759 -7.202 0.727 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.448 -5.214 1.362 1.00 0.00 O ATOM 0 H ASP A 83 2.896 -4.597 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 83 4.782 -6.659 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.465 -4.402 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.994 -5.047 -0.122 1.00 0.00 H new ATOM 1362 N VAL A 84 1.654 -7.078 -0.960 1.00 0.00 N ATOM 1363 CA VAL A 84 0.672 -8.089 -0.588 1.00 0.00 C ATOM 1364 C VAL A 84 0.783 -9.318 -1.484 1.00 0.00 C ATOM 1365 O VAL A 84 0.986 -10.433 -1.002 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.763 -7.535 -0.672 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.774 -8.616 -0.321 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.921 -6.329 0.241 1.00 0.00 C ATOM 0 H VAL A 84 1.316 -6.118 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 84 0.885 -8.373 0.443 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.952 -7.214 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.782 -8.206 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.675 -9.447 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.591 -8.970 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.940 -5.950 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.714 -6.622 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.222 -5.549 -0.062 1.00 0.00 H new ATOM 1378 N MET A 85 0.649 -9.107 -2.789 1.00 0.00 N ATOM 1379 CA MET A 85 0.737 -10.198 -3.752 1.00 0.00 C ATOM 1380 C MET A 85 2.065 -10.937 -3.618 1.00 0.00 C ATOM 1381 O MET A 85 2.134 -12.151 -3.814 1.00 0.00 O ATOM 1382 CB MET A 85 0.579 -9.663 -5.177 1.00 0.00 C ATOM 1383 CG MET A 85 -0.713 -8.892 -5.397 1.00 0.00 C ATOM 1384 SD MET A 85 -2.180 -9.906 -5.131 1.00 0.00 S ATOM 1385 CE MET A 85 -2.610 -9.446 -3.454 1.00 0.00 C ATOM 0 H MET A 85 0.479 -8.191 -3.204 1.00 0.00 H new ATOM 0 HA MET A 85 -0.071 -10.899 -3.543 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.424 -9.014 -5.408 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.618 -10.498 -5.876 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.740 -8.036 -4.722 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.728 -8.498 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.683 -9.267 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.335 -10.252 -2.774 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.074 -8.538 -3.177 1.00 0.00 H new ATOM 1395 N LEU A 86 3.116 -10.198 -3.283 1.00 0.00 N ATOM 1396 CA LEU A 86 4.443 -10.783 -3.123 1.00 0.00 C ATOM 1397 C LEU A 86 4.486 -11.713 -1.914 1.00 0.00 C ATOM 1398 O LEU A 86 4.800 -12.897 -2.039 1.00 0.00 O ATOM 1399 CB LEU A 86 5.493 -9.681 -2.970 1.00 0.00 C ATOM 1400 CG LEU A 86 6.952 -10.140 -2.966 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.404 -10.494 -4.374 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.848 -9.063 -2.371 1.00 0.00 C ATOM 0 H LEU A 86 3.076 -9.192 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 86 4.665 -11.367 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.360 -8.965 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.298 -9.148 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 86 7.030 -11.033 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.444 -10.818 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.781 -11.299 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.311 -9.619 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.882 -9.407 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.765 -8.152 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.539 -8.858 -1.346 1.00 0.00 H new ATOM 1414 N LEU A 87 4.166 -11.169 -0.745 1.00 0.00 N ATOM 1415 CA LEU A 87 4.165 -11.951 0.487 1.00 0.00 C ATOM 1416 C LEU A 87 3.521 -13.316 0.266 1.00 0.00 C ATOM 1417 O LEU A 87 3.862 -14.290 0.937 1.00 0.00 O ATOM 1418 CB LEU A 87 3.423 -11.197 1.592 1.00 0.00 C ATOM 1419 CG LEU A 87 2.997 -12.028 2.803 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.962 -11.167 4.056 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.640 -12.671 2.557 1.00 0.00 C ATOM 0 H LEU A 87 3.904 -10.191 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 87 5.200 -12.104 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.060 -10.384 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.533 -10.741 1.158 1.00 0.00 H new ATOM 0 HG LEU A 87 3.731 -12.820 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.657 -11.776 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.954 -10.754 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.250 -10.353 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.352 -13.259 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.896 -11.894 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.698 -13.321 1.684 1.00 0.00 H new ATOM 1433 N CYS A 88 2.590 -13.378 -0.680 1.00 0.00 N ATOM 1434 CA CYS A 88 1.899 -14.625 -0.991 1.00 0.00 C ATOM 1435 C CYS A 88 2.695 -15.452 -1.995 1.00 0.00 C ATOM 1436 O CYS A 88 2.797 -16.672 -1.867 1.00 0.00 O ATOM 1437 CB CYS A 88 0.503 -14.334 -1.544 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.447 -13.149 -0.563 1.00 0.00 S ATOM 0 H CYS A 88 2.296 -12.581 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 88 1.804 -15.199 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.599 -13.953 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -0.054 -15.269 -1.605 1.00 0.00 H new ATOM 0 HG CYS A 88 0.068 -11.963 -0.697 1.00 0.00 H new ATOM 1444 N HIS A 89 3.256 -14.779 -2.995 1.00 0.00 N ATOM 1445 CA HIS A 89 4.042 -15.453 -4.023 1.00 0.00 C ATOM 1446 C HIS A 89 5.238 -16.173 -3.407 1.00 0.00 C ATOM 1447 O HIS A 89 5.343 -17.396 -3.481 1.00 0.00 O ATOM 1448 CB HIS A 89 4.521 -14.446 -5.069 1.00 0.00 C ATOM 1449 CG HIS A 89 4.811 -15.062 -6.404 1.00 0.00 C ATOM 1450 ND1 HIS A 89 3.835 -15.307 -7.347 1.00 0.00 N ATOM 1451 CD2 HIS A 89 5.975 -15.480 -6.951 1.00 0.00 C ATOM 1452 CE1 HIS A 89 4.387 -15.852 -8.416 1.00 0.00 C ATOM 1453 NE2 HIS A 89 5.685 -15.967 -8.202 1.00 0.00 N ATOM 0 H HIS A 89 3.181 -13.769 -3.115 1.00 0.00 H new ATOM 0 HA HIS A 89 3.405 -16.193 -4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.762 -13.673 -5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.421 -13.953 -4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.951 -15.439 -6.490 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.865 -16.153 -9.313 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.362 -16.355 -8.859 1.00 0.00 H new ATOM 1462 N ASN A 90 6.137 -15.404 -2.800 1.00 0.00 N ATOM 1463 CA ASN A 90 7.326 -15.969 -2.173 1.00 0.00 C ATOM 1464 C ASN A 90 6.965 -17.171 -1.305 1.00 0.00 C ATOM 1465 O ASN A 90 7.690 -18.164 -1.269 1.00 0.00 O ATOM 1466 CB ASN A 90 8.035 -14.909 -1.327 1.00 0.00 C ATOM 1467 CG ASN A 90 7.070 -13.891 -0.750 1.00 0.00 C ATOM 1468 OD1 ASN A 90 5.940 -14.223 -0.392 1.00 0.00 O ATOM 1469 ND2 ASN A 90 7.513 -12.642 -0.658 1.00 0.00 N ATOM 0 H ASN A 90 6.064 -14.389 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 90 7.999 -16.303 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.573 -15.397 -0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.777 -14.396 -1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.909 -11.913 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.457 -12.412 -0.967 1.00 0.00 H new ATOM 1476 N ALA A 91 5.838 -17.071 -0.606 1.00 0.00 N ATOM 1477 CA ALA A 91 5.379 -18.150 0.260 1.00 0.00 C ATOM 1478 C ALA A 91 5.237 -19.455 -0.517 1.00 0.00 C ATOM 1479 O ALA A 91 5.686 -20.508 -0.065 1.00 0.00 O ATOM 1480 CB ALA A 91 4.057 -17.776 0.913 1.00 0.00 C ATOM 0 H ALA A 91 5.227 -16.254 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 91 6.127 -18.301 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.726 -18.591 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.188 -16.873 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.308 -17.596 0.142 1.00 0.00 H new ATOM 1486 N GLN A 92 4.609 -19.377 -1.686 1.00 0.00 N ATOM 1487 CA GLN A 92 4.408 -20.553 -2.523 1.00 0.00 C ATOM 1488 C GLN A 92 5.742 -21.121 -2.996 1.00 0.00 C ATOM 1489 O GLN A 92 5.935 -22.337 -3.032 1.00 0.00 O ATOM 1490 CB GLN A 92 3.534 -20.203 -3.729 1.00 0.00 C ATOM 1491 CG GLN A 92 2.180 -19.624 -3.351 1.00 0.00 C ATOM 1492 CD GLN A 92 1.585 -18.766 -4.450 1.00 0.00 C ATOM 1493 OE1 GLN A 92 2.308 -18.132 -5.219 1.00 0.00 O ATOM 1494 NE2 GLN A 92 0.260 -18.740 -4.530 1.00 0.00 N ATOM 0 H GLN A 92 4.231 -18.513 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 92 3.904 -21.311 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.064 -19.486 -4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.382 -21.100 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.493 -20.438 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.285 -19.027 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.301 -19.281 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.197 -18.179 -5.249 1.00 0.00 H new ATOM 1503 N THR A 93 6.662 -20.232 -3.358 1.00 0.00 N ATOM 1504 CA THR A 93 7.978 -20.644 -3.830 1.00 0.00 C ATOM 1505 C THR A 93 8.632 -21.616 -2.855 1.00 0.00 C ATOM 1506 O THR A 93 9.404 -22.489 -3.256 1.00 0.00 O ATOM 1507 CB THR A 93 8.908 -19.433 -4.030 1.00 0.00 C ATOM 1508 OG1 THR A 93 8.271 -18.459 -4.865 1.00 0.00 O ATOM 1509 CG2 THR A 93 10.226 -19.860 -4.657 1.00 0.00 C ATOM 0 H THR A 93 6.520 -19.222 -3.333 1.00 0.00 H new ATOM 0 HA THR A 93 7.828 -21.140 -4.789 1.00 0.00 H new ATOM 0 HB THR A 93 9.113 -18.996 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.868 -17.691 -4.986 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.866 -18.987 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.722 -20.579 -4.006 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.036 -20.320 -5.627 1.00 0.00 H new ATOM 1517 N PHE A 94 8.319 -21.461 -1.573 1.00 0.00 N ATOM 1518 CA PHE A 94 8.878 -22.326 -0.540 1.00 0.00 C ATOM 1519 C PHE A 94 7.899 -23.439 -0.175 1.00 0.00 C ATOM 1520 O PHE A 94 8.234 -24.621 -0.241 1.00 0.00 O ATOM 1521 CB PHE A 94 9.225 -21.509 0.706 1.00 0.00 C ATOM 1522 CG PHE A 94 10.382 -22.067 1.485 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.686 -21.781 1.114 1.00 0.00 C ATOM 1524 CD2 PHE A 94 10.166 -22.877 2.588 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.753 -22.292 1.829 1.00 0.00 C ATOM 1526 CE2 PHE A 94 11.228 -23.390 3.307 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.524 -23.099 2.926 1.00 0.00 C ATOM 0 H PHE A 94 7.682 -20.745 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 94 9.787 -22.780 -0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.457 -20.487 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.350 -21.461 1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.871 -21.151 0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.155 -23.110 2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.765 -22.060 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.046 -24.018 4.166 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.356 -23.502 3.485 1.00 0.00 H new ATOM 1537 N ASN A 95 6.688 -23.051 0.211 1.00 0.00 N ATOM 1538 CA ASN A 95 5.660 -24.015 0.587 1.00 0.00 C ATOM 1539 C ASN A 95 5.285 -24.901 -0.597 1.00 0.00 C ATOM 1540 O ASN A 95 5.488 -24.529 -1.753 1.00 0.00 O ATOM 1541 CB ASN A 95 4.418 -23.290 1.110 1.00 0.00 C ATOM 1542 CG ASN A 95 4.627 -22.712 2.496 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.313 -23.351 3.501 1.00 0.00 O ATOM 1544 ND2 ASN A 95 5.158 -21.496 2.556 1.00 0.00 N ATOM 0 H ASN A 95 6.394 -22.076 0.272 1.00 0.00 H new ATOM 0 HA ASN A 95 6.063 -24.648 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.152 -22.488 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.578 -23.984 1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.321 -21.055 3.461 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.403 -21.003 1.697 1.00 0.00 H new ATOM 1551 N LEU A 96 4.737 -26.074 -0.300 1.00 0.00 N ATOM 1552 CA LEU A 96 4.332 -27.014 -1.340 1.00 0.00 C ATOM 1553 C LEU A 96 3.079 -26.524 -2.059 1.00 0.00 C ATOM 1554 O LEU A 96 2.528 -25.478 -1.720 1.00 0.00 O ATOM 1555 CB LEU A 96 4.080 -28.396 -0.735 1.00 0.00 C ATOM 1556 CG LEU A 96 5.321 -29.167 -0.283 1.00 0.00 C ATOM 1557 CD1 LEU A 96 5.880 -29.997 -1.428 1.00 0.00 C ATOM 1558 CD2 LEU A 96 6.377 -28.211 0.252 1.00 0.00 C ATOM 0 H LEU A 96 4.563 -26.397 0.652 1.00 0.00 H new ATOM 0 HA LEU A 96 5.141 -27.085 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.417 -28.280 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.549 -29.001 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 96 5.032 -29.844 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.763 -30.539 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.125 -30.708 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.153 -29.340 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.253 -28.777 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.663 -27.509 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.973 -27.661 1.102 1.00 0.00 H new ATOM 1570 N GLU A 97 2.635 -27.290 -3.050 1.00 0.00 N ATOM 1571 CA GLU A 97 1.445 -26.934 -3.815 1.00 0.00 C ATOM 1572 C GLU A 97 0.200 -27.584 -3.219 1.00 0.00 C ATOM 1573 O GLU A 97 0.289 -28.579 -2.501 1.00 0.00 O ATOM 1574 CB GLU A 97 1.606 -27.358 -5.277 1.00 0.00 C ATOM 1575 CG GLU A 97 2.568 -26.484 -6.062 1.00 0.00 C ATOM 1576 CD GLU A 97 3.998 -26.982 -5.994 1.00 0.00 C ATOM 1577 OE1 GLU A 97 4.704 -26.626 -5.026 1.00 0.00 O ATOM 1578 OE2 GLU A 97 4.412 -27.727 -6.906 1.00 0.00 O ATOM 0 H GLU A 97 3.080 -28.160 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 97 1.325 -25.852 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.956 -28.390 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.630 -27.336 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.250 -26.445 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.524 -25.465 -5.677 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.962 -27.014 -3.523 1.00 0.00 N ATOM 1586 CA GLY A 98 -2.209 -27.550 -3.010 1.00 0.00 C ATOM 1587 C GLY A 98 -2.083 -28.044 -1.582 1.00 0.00 C ATOM 1588 O GLY A 98 -2.832 -28.921 -1.153 1.00 0.00 O ATOM 0 H GLY A 98 -1.062 -26.190 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.979 -26.780 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.538 -28.371 -3.648 1.00 0.00 H new ATOM 1592 N SER A 99 -1.131 -27.480 -0.844 1.00 0.00 N ATOM 1593 CA SER A 99 -0.906 -27.872 0.542 1.00 0.00 C ATOM 1594 C SER A 99 -1.770 -27.043 1.488 1.00 0.00 C ATOM 1595 O SER A 99 -2.402 -26.071 1.076 1.00 0.00 O ATOM 1596 CB SER A 99 0.571 -27.709 0.907 1.00 0.00 C ATOM 1597 OG SER A 99 0.829 -26.415 1.424 1.00 0.00 O ATOM 0 H SER A 99 -0.504 -26.751 -1.183 1.00 0.00 H new ATOM 0 HA SER A 99 -1.185 -28.920 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.852 -28.461 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.188 -27.881 0.025 1.00 0.00 H new ATOM 0 HG SER A 99 1.779 -26.337 1.651 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.790 -27.435 2.758 1.00 0.00 N ATOM 1604 CA GLN A 100 -2.576 -26.730 3.762 1.00 0.00 C ATOM 1605 C GLN A 100 -2.299 -25.230 3.716 1.00 0.00 C ATOM 1606 O GLN A 100 -3.224 -24.420 3.657 1.00 0.00 O ATOM 1607 CB GLN A 100 -2.267 -27.274 5.158 1.00 0.00 C ATOM 1608 CG GLN A 100 -2.937 -26.495 6.278 1.00 0.00 C ATOM 1609 CD GLN A 100 -3.353 -27.379 7.437 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -3.009 -27.116 8.589 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -4.099 -28.436 7.137 1.00 0.00 N ATOM 0 H GLN A 100 -1.271 -28.237 3.115 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.631 -26.894 3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.584 -28.315 5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.188 -27.261 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.254 -25.726 6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.815 -25.982 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.361 -28.617 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.410 -29.067 7.876 1.00 0.00 H new ATOM 1620 N ILE A 101 -1.021 -24.869 3.744 1.00 0.00 N ATOM 1621 CA ILE A 101 -0.622 -23.467 3.705 1.00 0.00 C ATOM 1622 C ILE A 101 -0.824 -22.878 2.313 1.00 0.00 C ATOM 1623 O ILE A 101 -1.396 -21.798 2.162 1.00 0.00 O ATOM 1624 CB ILE A 101 0.850 -23.289 4.118 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.003 -23.459 5.631 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.362 -21.925 3.679 1.00 0.00 C ATOM 1627 CD1 ILE A 101 2.439 -23.407 6.103 1.00 0.00 C ATOM 0 H ILE A 101 -0.244 -25.528 3.794 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.256 -22.938 4.417 1.00 0.00 H new ATOM 0 HB ILE A 101 1.446 -24.056 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.435 -22.678 6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.566 -24.413 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.404 -21.814 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.284 -21.839 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.765 -21.144 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.471 -23.534 7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.008 -24.206 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.874 -22.444 5.838 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.351 -23.594 1.299 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.478 -23.142 -0.081 1.00 0.00 C ATOM 1641 C TYR A 102 -1.835 -22.486 -0.316 1.00 0.00 C ATOM 1642 O TYR A 102 -1.919 -21.286 -0.577 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.293 -24.316 -1.043 1.00 0.00 C ATOM 1644 CG TYR A 102 -0.141 -23.897 -2.488 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.085 -23.473 -2.984 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -1.225 -23.925 -3.358 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.228 -23.088 -4.303 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -1.091 -23.544 -4.679 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.137 -23.126 -5.147 1.00 0.00 C ATOM 1650 OH TYR A 102 0.276 -22.745 -6.462 1.00 0.00 O ATOM 0 H TYR A 102 0.124 -24.490 1.407 1.00 0.00 H new ATOM 0 HA TYR A 102 0.300 -22.402 -0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.588 -24.885 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.149 -24.985 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.942 -23.444 -2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.189 -24.250 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.188 -22.759 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.943 -23.573 -5.342 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.586 -22.831 -6.920 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.895 -23.283 -0.221 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.249 -22.780 -0.424 1.00 0.00 C ATOM 1662 C GLU A 103 -4.398 -21.373 0.147 1.00 0.00 C ATOM 1663 O GLU A 103 -5.095 -20.532 -0.420 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.267 -23.717 0.227 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.258 -25.123 -0.350 1.00 0.00 C ATOM 1666 CD GLU A 103 -6.480 -25.926 0.050 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -6.437 -26.584 1.110 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -7.480 -25.896 -0.698 1.00 0.00 O ATOM 0 H GLU A 103 -2.842 -24.278 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.437 -22.739 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.066 -23.771 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.264 -23.293 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.206 -25.065 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.361 -25.643 -0.015 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.738 -21.125 1.273 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.796 -19.821 1.922 1.00 0.00 C ATOM 1677 C ASP A 104 -3.262 -18.730 0.999 1.00 0.00 C ATOM 1678 O ASP A 104 -3.985 -17.802 0.635 1.00 0.00 O ATOM 1679 CB ASP A 104 -2.995 -19.839 3.225 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.272 -21.076 4.057 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.008 -21.963 3.576 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -2.752 -21.158 5.189 1.00 0.00 O ATOM 0 H ASP A 104 -3.156 -21.810 1.755 1.00 0.00 H new ATOM 0 HA ASP A 104 -4.840 -19.603 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.931 -19.790 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.236 -18.950 3.809 1.00 0.00 H new ATOM 1687 N SER A 105 -1.993 -18.849 0.623 1.00 0.00 N ATOM 1688 CA SER A 105 -1.361 -17.870 -0.255 1.00 0.00 C ATOM 1689 C SER A 105 -2.315 -17.438 -1.363 1.00 0.00 C ATOM 1690 O SER A 105 -2.252 -16.307 -1.846 1.00 0.00 O ATOM 1691 CB SER A 105 -0.083 -18.451 -0.864 1.00 0.00 C ATOM 1692 OG SER A 105 -0.374 -19.552 -1.707 1.00 0.00 O ATOM 0 H SER A 105 -1.382 -19.613 0.912 1.00 0.00 H new ATOM 0 HA SER A 105 -1.106 -16.994 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.435 -17.680 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.592 -18.767 -0.068 1.00 0.00 H new ATOM 0 HG SER A 105 -0.721 -20.294 -1.168 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.199 -18.347 -1.762 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.168 -18.060 -2.812 1.00 0.00 C ATOM 1700 C ILE A 106 -5.386 -17.332 -2.253 1.00 0.00 C ATOM 1701 O ILE A 106 -5.866 -16.362 -2.840 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.633 -19.348 -3.517 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.469 -19.987 -4.278 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -5.789 -19.049 -4.459 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.667 -20.964 -3.447 1.00 0.00 C ATOM 0 H ILE A 106 -3.264 -19.288 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.666 -17.419 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.980 -20.053 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.859 -20.503 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.806 -19.201 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.106 -19.969 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.622 -18.634 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.468 -18.329 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.859 -21.378 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.247 -20.448 -2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.316 -21.771 -3.107 1.00 0.00 H new ATOM 1717 N VAL A 107 -5.880 -17.806 -1.114 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.040 -17.198 -0.473 1.00 0.00 C ATOM 1719 C VAL A 107 -6.748 -15.761 -0.056 1.00 0.00 C ATOM 1720 O VAL A 107 -7.469 -14.835 -0.432 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.482 -18.001 0.765 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.616 -17.289 1.487 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -7.893 -19.410 0.367 1.00 0.00 C ATOM 0 H VAL A 107 -5.495 -18.609 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.846 -17.203 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.637 -18.074 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.915 -17.871 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.281 -16.302 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.466 -17.182 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.202 -19.963 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.723 -19.361 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.049 -19.917 -0.101 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.687 -15.581 0.723 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.298 -14.256 1.191 1.00 0.00 C ATOM 1735 C LEU A 108 -5.522 -13.207 0.106 1.00 0.00 C ATOM 1736 O LEU A 108 -6.008 -12.111 0.381 1.00 0.00 O ATOM 1737 CB LEU A 108 -3.830 -14.256 1.622 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.486 -15.124 2.833 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -1.987 -15.372 2.903 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -3.981 -14.470 4.115 1.00 0.00 C ATOM 0 H LEU A 108 -5.081 -16.336 1.044 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.922 -14.003 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.225 -14.588 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.536 -13.229 1.841 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.988 -16.085 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.761 -15.991 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.660 -15.883 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.464 -14.420 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.728 -15.101 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.508 -13.495 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.063 -14.345 4.065 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.165 -13.553 -1.126 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.329 -12.642 -2.253 1.00 0.00 C ATOM 1754 C GLN A 109 -6.795 -12.270 -2.444 1.00 0.00 C ATOM 1755 O GLN A 109 -7.158 -11.095 -2.403 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.780 -13.276 -3.533 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.264 -13.385 -3.556 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.748 -14.079 -4.801 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.514 -14.396 -5.711 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -1.443 -14.319 -4.847 1.00 0.00 N ATOM 0 H GLN A 109 -4.760 -14.457 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.768 -11.733 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.209 -14.271 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.107 -12.686 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.831 -12.387 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.929 -13.932 -2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.845 -14.039 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.038 -14.784 -5.660 1.00 0.00 H new ATOM 1769 N SER A 110 -7.634 -13.280 -2.653 1.00 0.00 N ATOM 1770 CA SER A 110 -9.061 -13.058 -2.855 1.00 0.00 C ATOM 1771 C SER A 110 -9.626 -12.137 -1.777 1.00 0.00 C ATOM 1772 O SER A 110 -10.645 -11.476 -1.981 1.00 0.00 O ATOM 1773 CB SER A 110 -9.812 -14.391 -2.846 1.00 0.00 C ATOM 1774 OG SER A 110 -11.189 -14.203 -3.125 1.00 0.00 O ATOM 0 H SER A 110 -7.350 -14.259 -2.687 1.00 0.00 H new ATOM 0 HA SER A 110 -9.195 -12.579 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.376 -15.062 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.697 -14.870 -1.874 1.00 0.00 H new ATOM 0 HG SER A 110 -11.646 -15.070 -3.115 1.00 0.00 H new ATOM 1780 N VAL A 111 -8.956 -12.098 -0.630 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.388 -11.258 0.480 1.00 0.00 C ATOM 1782 C VAL A 111 -8.901 -9.824 0.306 1.00 0.00 C ATOM 1783 O VAL A 111 -9.651 -8.871 0.518 1.00 0.00 O ATOM 1784 CB VAL A 111 -8.878 -11.802 1.828 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.508 -11.040 2.984 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.163 -13.292 1.942 1.00 0.00 C ATOM 0 H VAL A 111 -8.111 -12.639 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.478 -11.271 0.481 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.799 -11.657 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.136 -11.438 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.249 -9.984 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.592 -11.151 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.796 -13.660 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.237 -13.463 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.660 -13.822 1.133 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.638 -9.677 -0.082 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.049 -8.358 -0.285 1.00 0.00 C ATOM 1798 C PHE A 112 -7.806 -7.583 -1.360 1.00 0.00 C ATOM 1799 O PHE A 112 -8.082 -6.393 -1.206 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.576 -8.489 -0.677 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.001 -7.236 -1.272 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -5.144 -6.965 -2.623 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -4.316 -6.328 -0.480 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.616 -5.813 -3.174 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -3.786 -5.174 -1.025 1.00 0.00 C ATOM 1806 CZ PHE A 112 -3.935 -4.916 -2.374 1.00 0.00 C ATOM 0 H PHE A 112 -7.003 -10.455 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.121 -7.808 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -4.996 -8.762 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.470 -9.304 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.675 -7.663 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.195 -6.525 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.736 -5.614 -4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.255 -4.474 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.520 -4.015 -2.802 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.140 -8.267 -2.449 1.00 0.00 N ATOM 1817 CA LYS A 113 -8.866 -7.646 -3.550 1.00 0.00 C ATOM 1818 C LYS A 113 -10.245 -7.178 -3.098 1.00 0.00 C ATOM 1819 O LYS A 113 -10.558 -5.989 -3.157 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.006 -8.629 -4.715 1.00 0.00 C ATOM 1821 CG LYS A 113 -7.678 -9.159 -5.227 1.00 0.00 C ATOM 1822 CD LYS A 113 -7.780 -9.619 -6.672 1.00 0.00 C ATOM 1823 CE LYS A 113 -6.528 -10.363 -7.110 1.00 0.00 C ATOM 1824 NZ LYS A 113 -6.333 -10.299 -8.585 1.00 0.00 N ATOM 0 H LYS A 113 -7.919 -9.252 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.298 -6.777 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.625 -9.469 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.531 -8.137 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.919 -8.381 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.352 -9.990 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.649 -10.267 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.937 -8.756 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.658 -9.937 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.597 -11.405 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.470 -10.818 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.151 -10.729 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.242 -9.306 -8.880 1.00 0.00 H new ATOM 1838 N SER A 114 -11.066 -8.120 -2.644 1.00 0.00 N ATOM 1839 CA SER A 114 -12.412 -7.804 -2.183 1.00 0.00 C ATOM 1840 C SER A 114 -12.378 -6.725 -1.105 1.00 0.00 C ATOM 1841 O SER A 114 -13.325 -5.953 -0.954 1.00 0.00 O ATOM 1842 CB SER A 114 -13.097 -9.060 -1.642 1.00 0.00 C ATOM 1843 OG SER A 114 -14.501 -8.993 -1.821 1.00 0.00 O ATOM 0 H SER A 114 -10.822 -9.109 -2.586 1.00 0.00 H new ATOM 0 HA SER A 114 -12.981 -7.426 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.704 -9.940 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.867 -9.175 -0.583 1.00 0.00 H new ATOM 0 HG SER A 114 -14.915 -9.808 -1.468 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.280 -6.678 -0.358 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.121 -5.693 0.704 1.00 0.00 C ATOM 1851 C ALA A 115 -10.859 -4.305 0.131 1.00 0.00 C ATOM 1852 O ALA A 115 -11.184 -3.294 0.755 1.00 0.00 O ATOM 1853 CB ALA A 115 -9.990 -6.102 1.638 1.00 0.00 C ATOM 0 H ALA A 115 -10.488 -7.311 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.051 -5.654 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.882 -5.357 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.218 -7.071 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.060 -6.171 1.074 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.270 -4.262 -1.059 1.00 0.00 N ATOM 1860 CA ARG A 116 -9.964 -2.997 -1.715 1.00 0.00 C ATOM 1861 C ARG A 116 -11.226 -2.368 -2.299 1.00 0.00 C ATOM 1862 O ARG A 116 -11.549 -1.217 -2.007 1.00 0.00 O ATOM 1863 CB ARG A 116 -8.928 -3.208 -2.821 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.451 -1.917 -3.464 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.061 -2.072 -4.061 1.00 0.00 C ATOM 1866 NE ARG A 116 -6.821 -1.122 -5.144 1.00 0.00 N ATOM 1867 CZ ARG A 116 -7.415 -1.193 -6.329 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -8.280 -2.165 -6.584 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -7.145 -0.290 -7.264 1.00 0.00 N ATOM 0 H ARG A 116 -9.995 -5.089 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.553 -2.319 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -8.069 -3.736 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.356 -3.850 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.151 -1.617 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.442 -1.120 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.313 -1.929 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.939 -3.088 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.161 -0.362 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.491 -2.861 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.735 -2.217 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.480 0.460 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.602 -0.346 -8.174 1.00 0.00 H new