USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 877 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 69 SER OG : rot -32:sc= 1.22 USER MOD Set 1.2: A 112 TYR OH : rot -61:sc= -2.55! USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 ASN : amide:sc= -2.33 K(o=-2.3,f=-3.2) USER MOD Set 3.1: A 44 TYR OH : rot -179:sc= 0.963 USER MOD Set 3.2: A 46 ASN : amide:sc= -1.26 K(o=-0.3,f=-1.2) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 136:sc= 1.25 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.13 K(o=0.13,f=-2.7!) USER MOD Single : A 30 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot 41:sc= 2.09 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.301 USER MOD Single : A 41 GLN : amide:sc= -4.54 K(o=-4.5,f=-11!) USER MOD Single : A 49 SER OG : rot 180:sc= -0.39 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 51 GLN : amide:sc= -0.976 K(o=-0.98,f=-6.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3! C(o=-3!,f=-8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 140:sc= -0.183 USER MOD Single : A 68 TYR OH : rot -15:sc= -2.53 USER MOD Single : A 71 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.42) USER MOD Single : A 73 SER OG : rot -2:sc= 0.914! USER MOD Single : A 74 ASN : amide:sc= -2.58! C(o=-2.6!,f=-8.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 87 TYR OH : rot -162:sc= 0.388 USER MOD Single : A 88 SER OG : rot 180:sc= -0.158 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.773 X(o=-0.77,f=-0.28) USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 0.148 (180deg=0.125) USER MOD Single : A 114 THR OG1 : rot -52:sc= 0.899 USER MOD Single : A 115 THR OG1 : rot 73:sc= 0.455 USER MOD Single : A 118 THR OG1 : rot 67:sc= -1.61 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -69:sc=0.000807 USER MOD Single : A 123 SER OG : rot -170:sc= -0.742 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 7 -4.551 -8.141 -8.030 1.00 0.00 N ATOM 100 CA ALA A 7 -5.792 -7.566 -7.526 1.00 0.00 C ATOM 101 C ALA A 7 -5.542 -6.734 -6.272 1.00 0.00 C ATOM 102 O ALA A 7 -4.771 -7.127 -5.396 1.00 0.00 O ATOM 103 CB ALA A 7 -6.804 -8.664 -7.239 1.00 0.00 C ATOM 0 HA ALA A 7 -6.196 -6.906 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.726 -8.220 -6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.014 -9.214 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.399 -9.346 -6.491 1.00 0.00 H new ATOM 109 N THR A 8 -6.197 -5.580 -6.193 1.00 0.00 N ATOM 110 CA THR A 8 -6.045 -4.691 -5.048 1.00 0.00 C ATOM 111 C THR A 8 -7.370 -4.032 -4.683 1.00 0.00 C ATOM 112 O THR A 8 -8.363 -4.176 -5.396 1.00 0.00 O ATOM 113 CB THR A 8 -4.999 -3.595 -5.323 1.00 0.00 C ATOM 114 OG1 THR A 8 -5.646 -2.405 -5.789 1.00 0.00 O ATOM 115 CG2 THR A 8 -3.983 -4.062 -6.355 1.00 0.00 C ATOM 0 H THR A 8 -6.838 -5.239 -6.909 1.00 0.00 H new ATOM 0 HA THR A 8 -5.706 -5.306 -4.214 1.00 0.00 H new ATOM 0 HB THR A 8 -4.475 -3.383 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.974 -1.713 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.255 -3.271 -6.532 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.471 -4.950 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.495 -4.300 -7.288 1.00 0.00 H new ATOM 123 N ALA A 9 -7.379 -3.310 -3.568 1.00 0.00 N ATOM 124 CA ALA A 9 -8.583 -2.627 -3.109 1.00 0.00 C ATOM 125 C ALA A 9 -8.245 -1.271 -2.497 1.00 0.00 C ATOM 126 O ALA A 9 -7.263 -1.135 -1.768 1.00 0.00 O ATOM 127 CB ALA A 9 -9.329 -3.491 -2.104 1.00 0.00 C ATOM 0 H ALA A 9 -6.566 -3.183 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.226 -2.456 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.225 -2.969 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.612 -4.433 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.685 -3.691 -1.247 1.00 0.00 H new ATOM 133 N THR A 10 -9.066 -0.270 -2.799 1.00 0.00 N ATOM 134 CA THR A 10 -8.854 1.075 -2.281 1.00 0.00 C ATOM 135 C THR A 10 -10.181 1.767 -1.989 1.00 0.00 C ATOM 136 O THR A 10 -11.248 1.242 -2.303 1.00 0.00 O ATOM 137 CB THR A 10 -8.045 1.936 -3.267 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.888 2.377 -4.338 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.869 1.153 -3.832 1.00 0.00 C ATOM 0 H THR A 10 -9.884 -0.366 -3.400 1.00 0.00 H new ATOM 0 HA THR A 10 -8.290 0.971 -1.354 1.00 0.00 H new ATOM 0 HB THR A 10 -7.660 2.801 -2.727 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.718 3.325 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.313 1.783 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.214 0.843 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.237 0.272 -4.357 1.00 0.00 H new ATOM 147 N SER A 11 -10.105 2.950 -1.385 1.00 0.00 N ATOM 148 CA SER A 11 -11.301 3.713 -1.048 1.00 0.00 C ATOM 149 C SER A 11 -11.718 4.611 -2.209 1.00 0.00 C ATOM 150 O SER A 11 -12.901 4.717 -2.533 1.00 0.00 O ATOM 151 CB SER A 11 -11.056 4.559 0.203 1.00 0.00 C ATOM 152 OG SER A 11 -12.117 5.474 0.415 1.00 0.00 O ATOM 0 H SER A 11 -9.229 3.400 -1.120 1.00 0.00 H new ATOM 0 HA SER A 11 -12.108 3.008 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.954 3.908 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.117 5.103 0.100 1.00 0.00 H new ATOM 0 HG SER A 11 -11.938 6.002 1.221 1.00 0.00 H new ATOM 158 N SER A 12 -10.737 5.254 -2.833 1.00 0.00 N ATOM 159 CA SER A 12 -11.000 6.147 -3.956 1.00 0.00 C ATOM 160 C SER A 12 -10.293 5.658 -5.216 1.00 0.00 C ATOM 161 O SER A 12 -9.472 4.742 -5.164 1.00 0.00 O ATOM 162 CB SER A 12 -10.548 7.569 -3.622 1.00 0.00 C ATOM 163 OG SER A 12 -11.522 8.520 -4.016 1.00 0.00 O ATOM 0 H SER A 12 -9.752 5.174 -2.580 1.00 0.00 H new ATOM 0 HA SER A 12 -12.074 6.150 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.365 7.654 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.604 7.781 -4.124 1.00 0.00 H new ATOM 0 HG SER A 12 -11.210 9.421 -3.790 1.00 0.00 H new ATOM 169 N ILE A 13 -10.618 6.274 -6.347 1.00 0.00 N ATOM 170 CA ILE A 13 -10.013 5.904 -7.621 1.00 0.00 C ATOM 171 C ILE A 13 -10.477 6.830 -8.740 1.00 0.00 C ATOM 172 O ILE A 13 -11.563 7.404 -8.673 1.00 0.00 O ATOM 173 CB ILE A 13 -10.348 4.450 -8.000 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.490 3.998 -9.184 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.827 4.315 -8.330 1.00 0.00 C ATOM 176 CD1 ILE A 13 -8.003 4.157 -8.948 1.00 0.00 C ATOM 0 H ILE A 13 -11.297 7.032 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.934 6.000 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.126 3.808 -7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.706 2.952 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.773 4.571 -10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.048 3.281 -8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.421 4.601 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.074 4.966 -9.169 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.457 3.817 -9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.774 5.206 -8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.706 3.562 -8.084 1.00 0.00 H new ATOM 188 N GLU A 14 -9.646 6.968 -9.768 1.00 0.00 N ATOM 189 CA GLU A 14 -9.972 7.824 -10.903 1.00 0.00 C ATOM 190 C GLU A 14 -10.663 7.027 -12.005 1.00 0.00 C ATOM 191 O GLU A 14 -11.621 7.495 -12.621 1.00 0.00 O ATOM 192 CB GLU A 14 -8.707 8.484 -11.453 1.00 0.00 C ATOM 193 CG GLU A 14 -8.335 9.775 -10.742 1.00 0.00 C ATOM 194 CD GLU A 14 -7.624 10.759 -11.652 1.00 0.00 C ATOM 195 OE1 GLU A 14 -6.985 10.311 -12.626 1.00 0.00 O ATOM 196 OE2 GLU A 14 -7.710 11.976 -11.388 1.00 0.00 O ATOM 0 H GLU A 14 -8.743 6.499 -9.839 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.655 8.599 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.877 7.782 -11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.847 8.691 -12.514 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.238 10.240 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.694 9.545 -9.891 1.00 0.00 H new ATOM 203 N THR A 15 -10.171 5.817 -12.250 1.00 0.00 N ATOM 204 CA THR A 15 -10.738 4.953 -13.277 1.00 0.00 C ATOM 205 C THR A 15 -11.825 4.053 -12.701 1.00 0.00 C ATOM 206 O THR A 15 -12.076 2.961 -13.212 1.00 0.00 O ATOM 207 CB THR A 15 -9.655 4.075 -13.934 1.00 0.00 C ATOM 208 OG1 THR A 15 -8.715 3.638 -12.947 1.00 0.00 O ATOM 209 CG2 THR A 15 -8.929 4.840 -15.030 1.00 0.00 C ATOM 0 H THR A 15 -9.379 5.413 -11.750 1.00 0.00 H new ATOM 0 HA THR A 15 -11.174 5.606 -14.033 1.00 0.00 H new ATOM 0 HB THR A 15 -10.142 3.208 -14.381 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.031 3.079 -13.372 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.170 4.200 -15.479 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.643 5.146 -15.794 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.453 5.723 -14.603 1.00 0.00 H new ATOM 217 N ALA A 16 -12.470 4.519 -11.637 1.00 0.00 N ATOM 218 CA ALA A 16 -13.532 3.758 -10.993 1.00 0.00 C ATOM 219 C ALA A 16 -13.136 2.295 -10.826 1.00 0.00 C ATOM 220 O ALA A 16 -13.973 1.398 -10.927 1.00 0.00 O ATOM 221 CB ALA A 16 -14.821 3.869 -11.794 1.00 0.00 C ATOM 0 H ALA A 16 -12.275 5.421 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.696 4.179 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.606 3.295 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.121 4.915 -11.857 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.660 3.476 -12.798 1.00 0.00 H new ATOM 227 N GLY A 17 -11.852 2.059 -10.571 1.00 0.00 N ATOM 228 CA GLY A 17 -11.367 0.703 -10.396 1.00 0.00 C ATOM 229 C GLY A 17 -10.866 0.094 -11.691 1.00 0.00 C ATOM 230 O GLY A 17 -11.656 -0.380 -12.508 1.00 0.00 O ATOM 0 H GLY A 17 -11.139 2.783 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.562 0.701 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.168 0.083 -9.993 1.00 0.00 H new ATOM 234 N HIS A 18 -9.550 0.107 -11.879 1.00 0.00 N ATOM 235 CA HIS A 18 -8.945 -0.448 -13.085 1.00 0.00 C ATOM 236 C HIS A 18 -7.441 -0.193 -13.105 1.00 0.00 C ATOM 237 O HIS A 18 -6.679 -0.967 -13.682 1.00 0.00 O ATOM 238 CB HIS A 18 -9.593 0.158 -14.331 1.00 0.00 C ATOM 239 CG HIS A 18 -10.195 -0.861 -15.249 1.00 0.00 C ATOM 240 ND1 HIS A 18 -9.491 -1.940 -15.741 1.00 0.00 N ATOM 241 CD2 HIS A 18 -11.444 -0.963 -15.762 1.00 0.00 C ATOM 242 CE1 HIS A 18 -10.280 -2.660 -16.519 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.470 -2.089 -16.547 1.00 0.00 N ATOM 0 H HIS A 18 -8.883 0.495 -11.212 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.113 -1.525 -13.084 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.368 0.860 -14.023 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.844 0.730 -14.878 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.266 -0.285 -15.586 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.999 -3.562 -17.043 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.278 -2.429 -17.068 1.00 0.00 H new ATOM 251 N GLU A 19 -7.022 0.897 -12.470 1.00 0.00 N ATOM 252 CA GLU A 19 -5.609 1.254 -12.416 1.00 0.00 C ATOM 253 C GLU A 19 -4.815 0.216 -11.627 1.00 0.00 C ATOM 254 O GLU A 19 -3.647 -0.040 -11.916 1.00 0.00 O ATOM 255 CB GLU A 19 -5.432 2.635 -11.783 1.00 0.00 C ATOM 256 CG GLU A 19 -5.106 3.727 -12.788 1.00 0.00 C ATOM 257 CD GLU A 19 -3.905 3.389 -13.649 1.00 0.00 C ATOM 258 OE1 GLU A 19 -3.124 2.499 -13.252 1.00 0.00 O ATOM 259 OE2 GLU A 19 -3.745 4.013 -14.719 1.00 0.00 O ATOM 0 H GLU A 19 -7.640 1.548 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.228 1.279 -13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.346 2.902 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.635 2.586 -11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.971 3.896 -13.429 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.916 4.660 -12.257 1.00 0.00 H new ATOM 266 N GLY A 20 -5.460 -0.379 -10.627 1.00 0.00 N ATOM 267 CA GLY A 20 -4.800 -1.382 -9.811 1.00 0.00 C ATOM 268 C GLY A 20 -4.526 -2.662 -10.576 1.00 0.00 C ATOM 269 O GLY A 20 -3.473 -3.278 -10.410 1.00 0.00 O ATOM 0 H GLY A 20 -6.427 -0.184 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.860 -0.979 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.421 -1.606 -8.944 1.00 0.00 H new ATOM 273 N ASP A 21 -5.474 -3.064 -11.413 1.00 0.00 N ATOM 274 CA ASP A 21 -5.330 -4.281 -12.204 1.00 0.00 C ATOM 275 C ASP A 21 -4.442 -4.036 -13.420 1.00 0.00 C ATOM 276 O ASP A 21 -4.131 -4.959 -14.172 1.00 0.00 O ATOM 277 CB ASP A 21 -6.701 -4.789 -12.653 1.00 0.00 C ATOM 278 CG ASP A 21 -6.607 -6.056 -13.480 1.00 0.00 C ATOM 279 OD1 ASP A 21 -5.867 -6.976 -13.073 1.00 0.00 O ATOM 280 OD2 ASP A 21 -7.272 -6.127 -14.535 1.00 0.00 O ATOM 0 H ASP A 21 -6.351 -2.565 -11.562 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.858 -5.038 -11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.321 -4.976 -11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.199 -4.014 -13.236 1.00 0.00 H new ATOM 285 N LYS A 22 -4.036 -2.784 -13.607 1.00 0.00 N ATOM 286 CA LYS A 22 -3.182 -2.416 -14.731 1.00 0.00 C ATOM 287 C LYS A 22 -1.731 -2.796 -14.459 1.00 0.00 C ATOM 288 O LYS A 22 -0.867 -2.640 -15.322 1.00 0.00 O ATOM 289 CB LYS A 22 -3.284 -0.913 -15.003 1.00 0.00 C ATOM 290 CG LYS A 22 -3.922 -0.579 -16.341 1.00 0.00 C ATOM 291 CD LYS A 22 -2.873 -0.358 -17.418 1.00 0.00 C ATOM 292 CE LYS A 22 -3.508 -0.212 -18.792 1.00 0.00 C ATOM 293 NZ LYS A 22 -3.155 1.087 -19.431 1.00 0.00 N ATOM 0 H LYS A 22 -4.285 -2.007 -12.995 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.524 -2.963 -15.610 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.864 -0.447 -14.207 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.286 -0.477 -14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.587 -1.389 -16.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.535 0.316 -16.240 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.295 0.536 -17.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.175 -1.196 -17.425 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.182 -1.032 -19.432 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.591 -0.290 -18.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.607 1.148 -20.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.488 1.870 -18.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.123 1.151 -19.541 1.00 0.00 H new ATOM 307 N ALA A 23 -1.471 -3.298 -13.257 1.00 0.00 N ATOM 308 CA ALA A 23 -0.124 -3.705 -12.875 1.00 0.00 C ATOM 309 C ALA A 23 0.122 -5.172 -13.210 1.00 0.00 C ATOM 310 O ALA A 23 1.113 -5.760 -12.777 1.00 0.00 O ATOM 311 CB ALA A 23 0.101 -3.456 -11.390 1.00 0.00 C ATOM 0 H ALA A 23 -2.175 -3.433 -12.531 1.00 0.00 H new ATOM 0 HA ALA A 23 0.586 -3.105 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.111 -3.764 -11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.024 -2.395 -11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.622 -4.031 -10.811 1.00 0.00 H new ATOM 317 N VAL A 24 -0.785 -5.758 -13.984 1.00 0.00 N ATOM 318 CA VAL A 24 -0.665 -7.157 -14.379 1.00 0.00 C ATOM 319 C VAL A 24 0.742 -7.470 -14.872 1.00 0.00 C ATOM 320 O VAL A 24 1.240 -8.582 -14.695 1.00 0.00 O ATOM 321 CB VAL A 24 -1.677 -7.516 -15.483 1.00 0.00 C ATOM 322 CG1 VAL A 24 -1.343 -8.869 -16.094 1.00 0.00 C ATOM 323 CG2 VAL A 24 -3.095 -7.509 -14.930 1.00 0.00 C ATOM 0 H VAL A 24 -1.612 -5.286 -14.350 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.877 -7.756 -13.493 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.613 -6.762 -16.268 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.069 -9.106 -16.872 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.344 -8.836 -16.528 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.377 -9.636 -15.320 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.796 -7.765 -15.724 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.175 -8.240 -14.125 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.330 -6.517 -14.544 1.00 0.00 H new ATOM 333 N ASP A 25 1.379 -6.483 -15.492 1.00 0.00 N ATOM 334 CA ASP A 25 2.732 -6.652 -16.010 1.00 0.00 C ATOM 335 C ASP A 25 3.703 -7.009 -14.890 1.00 0.00 C ATOM 336 O ASP A 25 4.534 -7.904 -15.037 1.00 0.00 O ATOM 337 CB ASP A 25 3.194 -5.376 -16.716 1.00 0.00 C ATOM 338 CG ASP A 25 2.684 -5.284 -18.140 1.00 0.00 C ATOM 339 OD1 ASP A 25 3.065 -6.144 -18.962 1.00 0.00 O ATOM 340 OD2 ASP A 25 1.907 -4.352 -18.434 1.00 0.00 O ATOM 0 H ASP A 25 0.980 -5.557 -15.648 1.00 0.00 H new ATOM 0 HA ASP A 25 2.719 -7.471 -16.729 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.850 -4.508 -16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.283 -5.341 -16.721 1.00 0.00 H new ATOM 345 N GLY A 26 3.592 -6.302 -13.769 1.00 0.00 N ATOM 346 CA GLY A 26 4.466 -6.559 -12.640 1.00 0.00 C ATOM 347 C GLY A 26 5.750 -5.754 -12.707 1.00 0.00 C ATOM 348 O GLY A 26 6.826 -6.265 -12.405 1.00 0.00 O ATOM 0 H GLY A 26 2.912 -5.556 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.940 -6.322 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.708 -7.621 -12.606 1.00 0.00 H new ATOM 352 N ASN A 27 5.634 -4.491 -13.102 1.00 0.00 N ATOM 353 CA ASN A 27 6.795 -3.614 -13.210 1.00 0.00 C ATOM 354 C ASN A 27 6.388 -2.152 -13.054 1.00 0.00 C ATOM 355 O ASN A 27 5.268 -1.849 -12.645 1.00 0.00 O ATOM 356 CB ASN A 27 7.493 -3.821 -14.555 1.00 0.00 C ATOM 357 CG ASN A 27 8.993 -3.989 -14.408 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.728 -3.012 -14.262 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.454 -5.234 -14.447 1.00 0.00 N ATOM 0 H ASN A 27 4.748 -4.051 -13.353 1.00 0.00 H new ATOM 0 HA ASN A 27 7.487 -3.867 -12.407 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.078 -4.702 -15.045 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.287 -2.969 -15.203 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.454 -5.411 -14.354 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.808 -6.014 -14.570 1.00 0.00 H new ATOM 366 N ALA A 28 7.306 -1.249 -13.384 1.00 0.00 N ATOM 367 CA ALA A 28 7.043 0.180 -13.283 1.00 0.00 C ATOM 368 C ALA A 28 6.175 0.662 -14.442 1.00 0.00 C ATOM 369 O ALA A 28 5.818 1.837 -14.516 1.00 0.00 O ATOM 370 CB ALA A 28 8.351 0.957 -13.244 1.00 0.00 C ATOM 0 H ALA A 28 8.239 -1.483 -13.724 1.00 0.00 H new ATOM 0 HA ALA A 28 6.499 0.359 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.139 2.023 -13.168 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.936 0.641 -12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.917 0.763 -14.155 1.00 0.00 H new ATOM 376 N ALA A 29 5.840 -0.254 -15.344 1.00 0.00 N ATOM 377 CA ALA A 29 5.014 0.077 -16.498 1.00 0.00 C ATOM 378 C ALA A 29 3.608 0.485 -16.068 1.00 0.00 C ATOM 379 O ALA A 29 2.839 1.031 -16.859 1.00 0.00 O ATOM 380 CB ALA A 29 4.951 -1.101 -17.459 1.00 0.00 C ATOM 0 H ALA A 29 6.128 -1.231 -15.298 1.00 0.00 H new ATOM 0 HA ALA A 29 5.471 0.925 -17.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.331 -0.839 -18.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.957 -1.346 -17.801 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.521 -1.963 -16.950 1.00 0.00 H new ATOM 386 N THR A 30 3.279 0.216 -14.808 1.00 0.00 N ATOM 387 CA THR A 30 1.966 0.555 -14.273 1.00 0.00 C ATOM 388 C THR A 30 2.054 1.722 -13.297 1.00 0.00 C ATOM 389 O THR A 30 3.005 1.825 -12.523 1.00 0.00 O ATOM 390 CB THR A 30 1.324 -0.650 -13.559 1.00 0.00 C ATOM 391 OG1 THR A 30 0.202 -0.217 -12.781 1.00 0.00 O ATOM 392 CG2 THR A 30 2.333 -1.347 -12.659 1.00 0.00 C ATOM 0 H THR A 30 3.903 -0.235 -14.140 1.00 0.00 H new ATOM 0 HA THR A 30 1.343 0.841 -15.120 1.00 0.00 H new ATOM 0 HB THR A 30 0.989 -1.357 -14.318 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.460 -0.938 -12.731 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.856 -2.194 -12.166 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.172 -1.701 -13.258 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.695 -0.646 -11.907 1.00 0.00 H new ATOM 400 N ARG A 31 1.056 2.599 -13.339 1.00 0.00 N ATOM 401 CA ARG A 31 1.021 3.759 -12.458 1.00 0.00 C ATOM 402 C ARG A 31 -0.379 3.970 -11.890 1.00 0.00 C ATOM 403 O ARG A 31 -1.320 4.268 -12.627 1.00 0.00 O ATOM 404 CB ARG A 31 1.471 5.013 -13.212 1.00 0.00 C ATOM 405 CG ARG A 31 2.968 5.062 -13.471 1.00 0.00 C ATOM 406 CD ARG A 31 3.308 6.041 -14.584 1.00 0.00 C ATOM 407 NE ARG A 31 4.564 6.741 -14.332 1.00 0.00 N ATOM 408 CZ ARG A 31 5.761 6.188 -14.503 1.00 0.00 C ATOM 409 NH1 ARG A 31 5.861 4.936 -14.924 1.00 0.00 N ATOM 410 NH2 ARG A 31 6.859 6.890 -14.252 1.00 0.00 N ATOM 0 H ARG A 31 0.261 2.528 -13.974 1.00 0.00 H new ATOM 0 HA ARG A 31 1.706 3.575 -11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.944 5.063 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.180 5.894 -12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.487 5.353 -12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.325 4.067 -13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.376 5.505 -15.530 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.502 6.768 -14.686 1.00 0.00 H new ATOM 0 HE ARG A 31 4.521 7.707 -14.007 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.019 4.394 -15.118 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.780 4.514 -15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.785 7.854 -13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.777 6.465 -14.383 1.00 0.00 H new ATOM 424 N TRP A 32 -0.510 3.812 -10.579 1.00 0.00 N ATOM 425 CA TRP A 32 -1.797 3.984 -9.913 1.00 0.00 C ATOM 426 C TRP A 32 -2.022 5.444 -9.532 1.00 0.00 C ATOM 427 O TRP A 32 -1.132 6.096 -8.987 1.00 0.00 O ATOM 428 CB TRP A 32 -1.871 3.102 -8.666 1.00 0.00 C ATOM 429 CG TRP A 32 -3.045 3.413 -7.786 1.00 0.00 C ATOM 430 CD1 TRP A 32 -3.153 4.443 -6.898 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.275 2.684 -7.712 1.00 0.00 C ATOM 432 NE1 TRP A 32 -4.378 4.401 -6.275 1.00 0.00 N ATOM 433 CE2 TRP A 32 -5.085 3.331 -6.757 1.00 0.00 C ATOM 434 CE3 TRP A 32 -4.774 1.551 -8.359 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.362 2.880 -6.436 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.041 1.104 -8.039 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.824 1.768 -7.085 1.00 0.00 C ATOM 0 H TRP A 32 0.258 3.565 -9.955 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.581 3.684 -10.609 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.922 2.057 -8.972 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.953 3.221 -8.090 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.389 5.183 -6.712 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.707 5.059 -5.569 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.179 1.033 -9.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.967 3.390 -5.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.435 0.228 -8.532 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.812 1.394 -6.858 1.00 0.00 H new ATOM 448 N ALA A 33 -3.216 5.949 -9.822 1.00 0.00 N ATOM 449 CA ALA A 33 -3.558 7.331 -9.508 1.00 0.00 C ATOM 450 C ALA A 33 -4.982 7.436 -8.972 1.00 0.00 C ATOM 451 O ALA A 33 -5.932 7.601 -9.737 1.00 0.00 O ATOM 452 CB ALA A 33 -3.388 8.209 -10.738 1.00 0.00 C ATOM 0 H ALA A 33 -3.963 5.422 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.879 7.680 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.647 9.238 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.352 8.167 -11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.043 7.852 -11.533 1.00 0.00 H new ATOM 458 N SER A 34 -5.122 7.338 -7.654 1.00 0.00 N ATOM 459 CA SER A 34 -6.432 7.418 -7.017 1.00 0.00 C ATOM 460 C SER A 34 -6.991 8.835 -7.100 1.00 0.00 C ATOM 461 O SER A 34 -6.270 9.811 -6.900 1.00 0.00 O ATOM 462 CB SER A 34 -6.339 6.979 -5.554 1.00 0.00 C ATOM 463 OG SER A 34 -6.675 5.609 -5.410 1.00 0.00 O ATOM 0 H SER A 34 -4.345 7.203 -7.007 1.00 0.00 H new ATOM 0 HA SER A 34 -7.108 6.748 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.328 7.150 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.009 7.587 -4.945 1.00 0.00 H new ATOM 0 HG SER A 34 -6.275 5.095 -6.143 1.00 0.00 H new ATOM 469 N ALA A 35 -8.282 8.938 -7.397 1.00 0.00 N ATOM 470 CA ALA A 35 -8.941 10.235 -7.504 1.00 0.00 C ATOM 471 C ALA A 35 -8.634 11.108 -6.292 1.00 0.00 C ATOM 472 O ALA A 35 -8.636 10.632 -5.156 1.00 0.00 O ATOM 473 CB ALA A 35 -10.443 10.052 -7.661 1.00 0.00 C ATOM 0 H ALA A 35 -8.893 8.139 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.554 10.740 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.922 11.028 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.647 9.474 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.838 9.523 -6.794 1.00 0.00 H new ATOM 479 N TYR A 36 -8.372 12.386 -6.541 1.00 0.00 N ATOM 480 CA TYR A 36 -8.062 13.325 -5.470 1.00 0.00 C ATOM 481 C TYR A 36 -9.271 13.540 -4.566 1.00 0.00 C ATOM 482 O TYR A 36 -10.405 13.626 -5.037 1.00 0.00 O ATOM 483 CB TYR A 36 -7.602 14.662 -6.053 1.00 0.00 C ATOM 484 CG TYR A 36 -8.741 15.568 -6.464 1.00 0.00 C ATOM 485 CD1 TYR A 36 -9.764 15.102 -7.280 1.00 0.00 C ATOM 486 CD2 TYR A 36 -8.794 16.888 -6.035 1.00 0.00 C ATOM 487 CE1 TYR A 36 -10.807 15.926 -7.658 1.00 0.00 C ATOM 488 CE2 TYR A 36 -9.834 17.719 -6.407 1.00 0.00 C ATOM 489 CZ TYR A 36 -10.837 17.233 -7.220 1.00 0.00 C ATOM 490 OH TYR A 36 -11.874 18.057 -7.593 1.00 0.00 O ATOM 0 H TYR A 36 -8.368 12.795 -7.475 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.256 12.901 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.987 15.178 -5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.969 14.472 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.744 14.079 -7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.009 17.272 -5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -11.595 15.548 -8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.861 18.742 -6.063 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.745 18.945 -7.199 1.00 0.00 H new ATOM 500 N GLY A 37 -9.021 13.628 -3.263 1.00 0.00 N ATOM 501 CA GLY A 37 -10.098 13.833 -2.312 1.00 0.00 C ATOM 502 C GLY A 37 -9.593 14.034 -0.898 1.00 0.00 C ATOM 503 O GLY A 37 -8.391 14.180 -0.676 1.00 0.00 O ATOM 0 H GLY A 37 -8.091 13.561 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.683 14.702 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.768 12.974 -2.336 1.00 0.00 H new ATOM 507 N ALA A 38 -10.512 14.044 0.062 1.00 0.00 N ATOM 508 CA ALA A 38 -10.152 14.229 1.462 1.00 0.00 C ATOM 509 C ALA A 38 -10.062 12.890 2.187 1.00 0.00 C ATOM 510 O ALA A 38 -10.710 11.918 1.799 1.00 0.00 O ATOM 511 CB ALA A 38 -11.161 15.137 2.151 1.00 0.00 C ATOM 0 H ALA A 38 -11.511 13.926 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.170 14.700 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.880 15.266 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.174 16.108 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.152 14.688 2.095 1.00 0.00 H new ATOM 517 N SER A 39 -9.251 12.847 3.240 1.00 0.00 N ATOM 518 CA SER A 39 -9.071 11.626 4.016 1.00 0.00 C ATOM 519 C SER A 39 -10.420 11.022 4.398 1.00 0.00 C ATOM 520 O SER A 39 -11.473 11.641 4.241 1.00 0.00 O ATOM 521 CB SER A 39 -8.254 11.912 5.276 1.00 0.00 C ATOM 522 OG SER A 39 -9.030 11.715 6.445 1.00 0.00 O ATOM 0 H SER A 39 -8.709 13.643 3.575 1.00 0.00 H new ATOM 0 HA SER A 39 -8.532 10.909 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.381 11.260 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.886 12.938 5.249 1.00 0.00 H new ATOM 0 HG SER A 39 -8.483 11.903 7.236 1.00 0.00 H new ATOM 528 N PRO A 40 -10.388 9.783 4.912 1.00 0.00 N ATOM 529 CA PRO A 40 -9.141 9.037 5.102 1.00 0.00 C ATOM 530 C PRO A 40 -8.513 8.610 3.780 1.00 0.00 C ATOM 531 O PRO A 40 -9.143 8.698 2.727 1.00 0.00 O ATOM 532 CB PRO A 40 -9.581 7.810 5.907 1.00 0.00 C ATOM 533 CG PRO A 40 -11.021 7.633 5.569 1.00 0.00 C ATOM 534 CD PRO A 40 -11.568 9.016 5.346 1.00 0.00 C ATOM 0 HA PRO A 40 -8.378 9.638 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.999 6.929 5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.442 7.967 6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.140 7.018 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.552 7.129 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.352 9.021 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.003 9.428 6.257 1.00 0.00 H new ATOM 542 N GLN A 41 -7.269 8.146 3.843 1.00 0.00 N ATOM 543 CA GLN A 41 -6.557 7.706 2.650 1.00 0.00 C ATOM 544 C GLN A 41 -5.733 6.456 2.939 1.00 0.00 C ATOM 545 O GLN A 41 -4.884 6.452 3.830 1.00 0.00 O ATOM 546 CB GLN A 41 -5.647 8.822 2.132 1.00 0.00 C ATOM 547 CG GLN A 41 -6.318 10.186 2.100 1.00 0.00 C ATOM 548 CD GLN A 41 -5.952 11.045 3.295 1.00 0.00 C ATOM 549 OE1 GLN A 41 -5.502 10.538 4.323 1.00 0.00 O ATOM 550 NE2 GLN A 41 -6.142 12.352 3.165 1.00 0.00 N ATOM 0 H GLN A 41 -6.734 8.065 4.708 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.295 7.465 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.759 8.877 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.310 8.568 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.035 10.705 1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.400 10.054 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.517 12.729 2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.913 12.980 3.935 1.00 0.00 H new ATOM 559 N TRP A 42 -5.987 5.397 2.178 1.00 0.00 N ATOM 560 CA TRP A 42 -5.269 4.140 2.353 1.00 0.00 C ATOM 561 C TRP A 42 -5.487 3.217 1.160 1.00 0.00 C ATOM 562 O TRP A 42 -6.382 3.445 0.344 1.00 0.00 O ATOM 563 CB TRP A 42 -5.719 3.445 3.640 1.00 0.00 C ATOM 564 CG TRP A 42 -7.168 3.065 3.633 1.00 0.00 C ATOM 565 CD1 TRP A 42 -8.233 3.889 3.862 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.711 1.762 3.387 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.406 3.177 3.774 1.00 0.00 N ATOM 568 CE2 TRP A 42 -9.112 1.871 3.482 1.00 0.00 C ATOM 569 CE3 TRP A 42 -7.150 0.517 3.092 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -9.957 0.780 3.295 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -7.990 -0.564 2.908 1.00 0.00 C ATOM 572 CH2 TRP A 42 -9.381 -0.428 3.008 1.00 0.00 C ATOM 0 H TRP A 42 -6.685 5.384 1.434 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.205 4.366 2.424 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.116 2.549 3.791 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.528 4.104 4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.164 4.944 4.080 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.343 3.559 3.905 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.079 0.402 3.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.029 0.883 3.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.567 -1.532 2.683 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.010 -1.292 2.856 1.00 0.00 H new ATOM 583 N ILE A 43 -4.668 2.177 1.064 1.00 0.00 N ATOM 584 CA ILE A 43 -4.774 1.219 -0.030 1.00 0.00 C ATOM 585 C ILE A 43 -4.437 -0.192 0.439 1.00 0.00 C ATOM 586 O ILE A 43 -3.599 -0.381 1.320 1.00 0.00 O ATOM 587 CB ILE A 43 -3.844 1.594 -1.200 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.867 0.500 -2.269 1.00 0.00 C ATOM 589 CG2 ILE A 43 -2.427 1.822 -0.697 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.664 1.024 -3.674 1.00 0.00 C ATOM 0 H ILE A 43 -3.923 1.975 1.731 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.808 1.248 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.203 2.520 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.089 -0.231 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.821 -0.025 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.782 2.086 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.426 2.633 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.057 0.911 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.692 0.194 -4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.456 1.733 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.697 1.524 -3.740 1.00 0.00 H new ATOM 602 N TYR A 44 -5.096 -1.180 -0.157 1.00 0.00 N ATOM 603 CA TYR A 44 -4.868 -2.576 0.201 1.00 0.00 C ATOM 604 C TYR A 44 -4.301 -3.355 -0.982 1.00 0.00 C ATOM 605 O TYR A 44 -4.606 -3.059 -2.138 1.00 0.00 O ATOM 606 CB TYR A 44 -6.169 -3.222 0.676 1.00 0.00 C ATOM 607 CG TYR A 44 -6.119 -4.733 0.705 1.00 0.00 C ATOM 608 CD1 TYR A 44 -6.446 -5.480 -0.421 1.00 0.00 C ATOM 609 CD2 TYR A 44 -5.748 -5.414 1.858 1.00 0.00 C ATOM 610 CE1 TYR A 44 -6.403 -6.861 -0.399 1.00 0.00 C ATOM 611 CE2 TYR A 44 -5.701 -6.794 1.888 1.00 0.00 C ATOM 612 CZ TYR A 44 -6.029 -7.513 0.758 1.00 0.00 C ATOM 613 OH TYR A 44 -5.985 -8.888 0.784 1.00 0.00 O ATOM 0 H TYR A 44 -5.792 -1.041 -0.890 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.141 -2.603 1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.403 -2.855 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.982 -2.906 0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.739 -4.972 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.492 -4.855 2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.661 -7.427 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.409 -7.307 2.792 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.717 -9.190 1.677 1.00 0.00 H new ATOM 623 N ILE A 45 -3.476 -4.353 -0.684 1.00 0.00 N ATOM 624 CA ILE A 45 -2.869 -5.177 -1.722 1.00 0.00 C ATOM 625 C ILE A 45 -2.849 -6.647 -1.315 1.00 0.00 C ATOM 626 O ILE A 45 -2.464 -6.987 -0.197 1.00 0.00 O ATOM 627 CB ILE A 45 -1.430 -4.722 -2.031 1.00 0.00 C ATOM 628 CG1 ILE A 45 -1.446 -3.464 -2.901 1.00 0.00 C ATOM 629 CG2 ILE A 45 -0.659 -5.839 -2.719 1.00 0.00 C ATOM 630 CD1 ILE A 45 -1.535 -3.755 -4.383 1.00 0.00 C ATOM 0 H ILE A 45 -3.213 -4.610 0.267 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.479 -5.058 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.929 -4.485 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.292 -2.841 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.543 -2.886 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.356 -5.503 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.624 -6.712 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.156 -6.103 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.542 -2.817 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.676 -4.352 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.452 -4.306 -4.591 1.00 0.00 H new ATOM 642 N ASN A 46 -3.266 -7.515 -2.231 1.00 0.00 N ATOM 643 CA ASN A 46 -3.295 -8.949 -1.969 1.00 0.00 C ATOM 644 C ASN A 46 -2.140 -9.655 -2.674 1.00 0.00 C ATOM 645 O ASN A 46 -1.707 -9.238 -3.749 1.00 0.00 O ATOM 646 CB ASN A 46 -4.627 -9.546 -2.427 1.00 0.00 C ATOM 647 CG ASN A 46 -4.631 -11.062 -2.374 1.00 0.00 C ATOM 648 OD1 ASN A 46 -4.037 -11.724 -3.225 1.00 0.00 O ATOM 649 ND2 ASN A 46 -5.302 -11.617 -1.372 1.00 0.00 N ATOM 0 H ASN A 46 -3.589 -7.250 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.188 -9.098 -0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.430 -9.161 -1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.837 -9.220 -3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.340 -12.633 -1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.779 -11.028 -0.690 1.00 0.00 H new ATOM 656 N LEU A 47 -1.646 -10.725 -2.061 1.00 0.00 N ATOM 657 CA LEU A 47 -0.541 -11.489 -2.629 1.00 0.00 C ATOM 658 C LEU A 47 -1.013 -12.863 -3.096 1.00 0.00 C ATOM 659 O LEU A 47 -0.603 -13.346 -4.150 1.00 0.00 O ATOM 660 CB LEU A 47 0.580 -11.645 -1.600 1.00 0.00 C ATOM 661 CG LEU A 47 1.978 -11.898 -2.164 1.00 0.00 C ATOM 662 CD1 LEU A 47 2.397 -10.761 -3.084 1.00 0.00 C ATOM 663 CD2 LEU A 47 2.985 -12.072 -1.036 1.00 0.00 C ATOM 0 H LEU A 47 -1.993 -11.083 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.160 -10.943 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.614 -10.742 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.323 -12.470 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 47 1.952 -12.819 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.395 -10.959 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.691 -10.683 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.406 -9.825 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.975 -12.251 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.008 -11.169 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.695 -12.921 -0.417 1.00 0.00 H new ATOM 675 N GLY A 48 -1.880 -13.486 -2.303 1.00 0.00 N ATOM 676 CA GLY A 48 -2.396 -14.796 -2.653 1.00 0.00 C ATOM 677 C GLY A 48 -2.005 -15.860 -1.647 1.00 0.00 C ATOM 678 O GLY A 48 -2.726 -16.840 -1.458 1.00 0.00 O ATOM 0 H GLY A 48 -2.234 -13.107 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.483 -14.748 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.025 -15.078 -3.638 1.00 0.00 H new ATOM 682 N SER A 49 -0.860 -15.670 -1.000 1.00 0.00 N ATOM 683 CA SER A 49 -0.372 -16.624 -0.011 1.00 0.00 C ATOM 684 C SER A 49 0.574 -15.947 0.977 1.00 0.00 C ATOM 685 O SER A 49 0.931 -14.780 0.813 1.00 0.00 O ATOM 686 CB SER A 49 0.342 -17.787 -0.702 1.00 0.00 C ATOM 687 OG SER A 49 -0.128 -17.959 -2.028 1.00 0.00 O ATOM 0 H SER A 49 -0.252 -14.863 -1.143 1.00 0.00 H new ATOM 0 HA SER A 49 -1.230 -17.009 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.416 -17.602 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.183 -18.704 -0.135 1.00 0.00 H new ATOM 0 HG SER A 49 0.345 -18.707 -2.448 1.00 0.00 H new ATOM 693 N THR A 50 0.975 -16.688 2.006 1.00 0.00 N ATOM 694 CA THR A 50 1.877 -16.161 3.022 1.00 0.00 C ATOM 695 C THR A 50 3.315 -16.125 2.515 1.00 0.00 C ATOM 696 O THR A 50 3.868 -17.152 2.120 1.00 0.00 O ATOM 697 CB THR A 50 1.819 -16.998 4.313 1.00 0.00 C ATOM 698 OG1 THR A 50 1.083 -18.205 4.082 1.00 0.00 O ATOM 699 CG2 THR A 50 1.171 -16.210 5.440 1.00 0.00 C ATOM 0 H THR A 50 0.689 -17.655 2.157 1.00 0.00 H new ATOM 0 HA THR A 50 1.547 -15.146 3.242 1.00 0.00 H new ATOM 0 HB THR A 50 2.839 -17.246 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.052 -18.732 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.141 -16.822 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.751 -15.307 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.156 -15.935 5.155 1.00 0.00 H new ATOM 707 N GLN A 51 3.914 -14.939 2.531 1.00 0.00 N ATOM 708 CA GLN A 51 5.288 -14.771 2.073 1.00 0.00 C ATOM 709 C GLN A 51 6.128 -14.053 3.124 1.00 0.00 C ATOM 710 O GLN A 51 5.642 -13.158 3.816 1.00 0.00 O ATOM 711 CB GLN A 51 5.318 -13.992 0.758 1.00 0.00 C ATOM 712 CG GLN A 51 5.859 -14.795 -0.414 1.00 0.00 C ATOM 713 CD GLN A 51 7.204 -15.428 -0.116 1.00 0.00 C ATOM 714 OE1 GLN A 51 8.125 -14.761 0.360 1.00 0.00 O ATOM 715 NE2 GLN A 51 7.326 -16.720 -0.393 1.00 0.00 N ATOM 0 H GLN A 51 3.470 -14.080 2.856 1.00 0.00 H new ATOM 0 HA GLN A 51 5.714 -15.761 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.308 -13.656 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.929 -13.099 0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.144 -15.575 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.953 -14.144 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.538 -17.234 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.208 -17.199 -0.212 1.00 0.00 H new ATOM 724 N SER A 52 7.391 -14.451 3.238 1.00 0.00 N ATOM 725 CA SER A 52 8.298 -13.846 4.207 1.00 0.00 C ATOM 726 C SER A 52 8.842 -12.519 3.688 1.00 0.00 C ATOM 727 O SER A 52 9.303 -12.426 2.551 1.00 0.00 O ATOM 728 CB SER A 52 9.454 -14.798 4.517 1.00 0.00 C ATOM 729 OG SER A 52 10.006 -14.533 5.795 1.00 0.00 O ATOM 0 H SER A 52 7.809 -15.189 2.672 1.00 0.00 H new ATOM 0 HA SER A 52 7.738 -13.655 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.101 -15.828 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.227 -14.696 3.755 1.00 0.00 H new ATOM 0 HG SER A 52 10.742 -15.156 5.969 1.00 0.00 H new ATOM 735 N ILE A 53 8.783 -11.493 4.532 1.00 0.00 N ATOM 736 CA ILE A 53 9.270 -10.171 4.160 1.00 0.00 C ATOM 737 C ILE A 53 10.272 -9.646 5.183 1.00 0.00 C ATOM 738 O ILE A 53 10.215 -10.000 6.361 1.00 0.00 O ATOM 739 CB ILE A 53 8.114 -9.162 4.026 1.00 0.00 C ATOM 740 CG1 ILE A 53 6.803 -9.893 3.724 1.00 0.00 C ATOM 741 CG2 ILE A 53 8.422 -8.145 2.937 1.00 0.00 C ATOM 742 CD1 ILE A 53 5.633 -8.963 3.492 1.00 0.00 C ATOM 0 H ILE A 53 8.403 -11.553 5.477 1.00 0.00 H new ATOM 0 HA ILE A 53 9.763 -10.277 3.194 1.00 0.00 H new ATOM 0 HB ILE A 53 8.003 -8.631 4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.940 -10.519 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.568 -10.559 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.596 -7.439 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.335 -7.607 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.556 -8.660 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.738 -9.549 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.470 -8.355 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.847 -8.314 2.643 1.00 0.00 H new ATOM 754 N SER A 54 11.187 -8.797 4.726 1.00 0.00 N ATOM 755 CA SER A 54 12.202 -8.224 5.602 1.00 0.00 C ATOM 756 C SER A 54 12.204 -6.701 5.507 1.00 0.00 C ATOM 757 O SER A 54 12.412 -6.007 6.503 1.00 0.00 O ATOM 758 CB SER A 54 13.585 -8.770 5.240 1.00 0.00 C ATOM 759 OG SER A 54 13.664 -9.086 3.861 1.00 0.00 O ATOM 0 H SER A 54 11.246 -8.491 3.755 1.00 0.00 H new ATOM 0 HA SER A 54 11.964 -8.507 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.348 -8.033 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.794 -9.660 5.833 1.00 0.00 H new ATOM 0 HG SER A 54 14.558 -9.431 3.655 1.00 0.00 H new ATOM 765 N ARG A 55 11.972 -6.189 4.303 1.00 0.00 N ATOM 766 CA ARG A 55 11.947 -4.749 4.078 1.00 0.00 C ATOM 767 C ARG A 55 10.973 -4.390 2.959 1.00 0.00 C ATOM 768 O ARG A 55 10.757 -5.174 2.034 1.00 0.00 O ATOM 769 CB ARG A 55 13.349 -4.242 3.730 1.00 0.00 C ATOM 770 CG ARG A 55 14.008 -5.006 2.593 1.00 0.00 C ATOM 771 CD ARG A 55 15.302 -4.341 2.152 1.00 0.00 C ATOM 772 NE ARG A 55 15.579 -4.568 0.736 1.00 0.00 N ATOM 773 CZ ARG A 55 16.627 -4.055 0.101 1.00 0.00 C ATOM 774 NH1 ARG A 55 17.493 -3.291 0.753 1.00 0.00 N ATOM 775 NH2 ARG A 55 16.812 -4.308 -1.188 1.00 0.00 N ATOM 0 H ARG A 55 11.799 -6.750 3.469 1.00 0.00 H new ATOM 0 HA ARG A 55 11.611 -4.269 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.288 -3.188 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.981 -4.309 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.213 -6.028 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.322 -5.066 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.242 -3.269 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 55 16.129 -4.725 2.749 1.00 0.00 H new ATOM 0 HE ARG A 55 14.933 -5.152 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.355 -3.096 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.297 -2.898 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.149 -4.897 -1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.617 -3.914 -1.675 1.00 0.00 H new ATOM 789 N VAL A 56 10.387 -3.201 3.050 1.00 0.00 N ATOM 790 CA VAL A 56 9.436 -2.737 2.047 1.00 0.00 C ATOM 791 C VAL A 56 9.694 -1.282 1.678 1.00 0.00 C ATOM 792 O VAL A 56 10.003 -0.456 2.536 1.00 0.00 O ATOM 793 CB VAL A 56 7.985 -2.881 2.541 1.00 0.00 C ATOM 794 CG1 VAL A 56 7.005 -2.605 1.410 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.757 -4.266 3.128 1.00 0.00 C ATOM 0 H VAL A 56 10.554 -2.541 3.809 1.00 0.00 H new ATOM 0 HA VAL A 56 9.575 -3.362 1.165 1.00 0.00 H new ATOM 0 HB VAL A 56 7.813 -2.145 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.985 -2.712 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.153 -1.591 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.174 -3.315 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.726 -4.350 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.947 -5.021 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.434 -4.421 3.968 1.00 0.00 H new ATOM 805 N LYS A 57 9.564 -0.972 0.391 1.00 0.00 N ATOM 806 CA LYS A 57 9.781 0.385 -0.094 1.00 0.00 C ATOM 807 C LYS A 57 8.569 0.883 -0.877 1.00 0.00 C ATOM 808 O LYS A 57 8.151 0.260 -1.855 1.00 0.00 O ATOM 809 CB LYS A 57 11.029 0.440 -0.978 1.00 0.00 C ATOM 810 CG LYS A 57 11.064 -0.636 -2.049 1.00 0.00 C ATOM 811 CD LYS A 57 11.908 -1.823 -1.621 1.00 0.00 C ATOM 812 CE LYS A 57 11.186 -3.139 -1.868 1.00 0.00 C ATOM 813 NZ LYS A 57 12.136 -4.278 -2.001 1.00 0.00 N ATOM 0 H LYS A 57 9.309 -1.643 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 57 9.926 1.034 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.083 1.418 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.914 0.344 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.049 -0.969 -2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.465 -0.218 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.851 -1.816 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.152 -1.734 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.497 -3.335 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.586 -3.059 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.604 -5.156 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.777 -4.104 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.691 -4.371 -1.126 1.00 0.00 H new ATOM 827 N LEU A 58 8.012 2.008 -0.444 1.00 0.00 N ATOM 828 CA LEU A 58 6.849 2.590 -1.107 1.00 0.00 C ATOM 829 C LEU A 58 6.996 4.102 -1.234 1.00 0.00 C ATOM 830 O LEU A 58 7.416 4.777 -0.294 1.00 0.00 O ATOM 831 CB LEU A 58 5.574 2.253 -0.331 1.00 0.00 C ATOM 832 CG LEU A 58 5.430 2.911 1.042 1.00 0.00 C ATOM 833 CD1 LEU A 58 4.232 3.847 1.062 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.301 1.853 2.129 1.00 0.00 C ATOM 0 H LEU A 58 8.346 2.536 0.363 1.00 0.00 H new ATOM 0 HA LEU A 58 6.781 2.165 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.716 2.538 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.527 1.172 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 58 6.327 3.498 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.145 4.306 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.365 4.624 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.325 3.282 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.199 2.339 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.421 1.239 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.190 1.222 2.130 1.00 0.00 H new ATOM 846 N ASN A 59 6.644 4.630 -2.401 1.00 0.00 N ATOM 847 CA ASN A 59 6.734 6.063 -2.651 1.00 0.00 C ATOM 848 C ASN A 59 5.358 6.719 -2.566 1.00 0.00 C ATOM 849 O ASN A 59 4.351 6.121 -2.943 1.00 0.00 O ATOM 850 CB ASN A 59 7.352 6.325 -4.026 1.00 0.00 C ATOM 851 CG ASN A 59 7.552 7.803 -4.298 1.00 0.00 C ATOM 852 OD1 ASN A 59 7.608 8.614 -3.374 1.00 0.00 O ATOM 853 ND2 ASN A 59 7.663 8.160 -5.573 1.00 0.00 N ATOM 0 H ASN A 59 6.293 4.086 -3.189 1.00 0.00 H new ATOM 0 HA ASN A 59 7.373 6.500 -1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.312 5.813 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.709 5.900 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.801 9.141 -5.818 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.611 7.454 -6.307 1.00 0.00 H new ATOM 860 N TRP A 60 5.326 7.949 -2.069 1.00 0.00 N ATOM 861 CA TRP A 60 4.074 8.686 -1.936 1.00 0.00 C ATOM 862 C TRP A 60 3.699 9.365 -3.248 1.00 0.00 C ATOM 863 O TRP A 60 2.554 9.771 -3.442 1.00 0.00 O ATOM 864 CB TRP A 60 4.189 9.729 -0.822 1.00 0.00 C ATOM 865 CG TRP A 60 2.882 10.026 -0.150 1.00 0.00 C ATOM 866 CD1 TRP A 60 2.263 11.240 -0.061 1.00 0.00 C ATOM 867 CD2 TRP A 60 2.037 9.092 0.529 1.00 0.00 C ATOM 868 NE1 TRP A 60 1.084 11.116 0.632 1.00 0.00 N ATOM 869 CE2 TRP A 60 0.921 9.808 1.004 1.00 0.00 C ATOM 870 CE3 TRP A 60 2.111 7.719 0.781 1.00 0.00 C ATOM 871 CZ2 TRP A 60 -0.108 9.198 1.717 1.00 0.00 C ATOM 872 CZ3 TRP A 60 1.090 7.114 1.489 1.00 0.00 C ATOM 873 CH2 TRP A 60 -0.008 7.852 1.949 1.00 0.00 C ATOM 0 H TRP A 60 6.151 8.458 -1.751 1.00 0.00 H new ATOM 0 HA TRP A 60 3.288 7.975 -1.680 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.901 9.377 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.594 10.652 -1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 60 2.645 12.162 -0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.435 11.875 0.837 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.952 7.141 0.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.954 9.766 2.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 1.140 6.054 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.791 7.350 2.497 1.00 0.00 H new ATOM 884 N GLU A 61 4.672 9.486 -4.146 1.00 0.00 N ATOM 885 CA GLU A 61 4.442 10.117 -5.440 1.00 0.00 C ATOM 886 C GLU A 61 4.171 11.610 -5.277 1.00 0.00 C ATOM 887 O GLU A 61 4.475 12.197 -4.239 1.00 0.00 O ATOM 888 CB GLU A 61 3.266 9.451 -6.156 1.00 0.00 C ATOM 889 CG GLU A 61 3.560 9.087 -7.602 1.00 0.00 C ATOM 890 CD GLU A 61 4.841 8.291 -7.755 1.00 0.00 C ATOM 891 OE1 GLU A 61 4.995 7.274 -7.047 1.00 0.00 O ATOM 892 OE2 GLU A 61 5.689 8.685 -8.583 1.00 0.00 O ATOM 0 H GLU A 61 5.626 9.156 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 61 5.343 9.991 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.985 8.549 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.407 10.121 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.728 8.509 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.630 9.999 -8.195 1.00 0.00 H new ATOM 899 N ASP A 62 3.600 12.219 -6.310 1.00 0.00 N ATOM 900 CA ASP A 62 3.286 13.642 -6.283 1.00 0.00 C ATOM 901 C ASP A 62 2.612 14.026 -4.970 1.00 0.00 C ATOM 902 O ASP A 62 2.915 15.064 -4.384 1.00 0.00 O ATOM 903 CB ASP A 62 2.384 14.011 -7.460 1.00 0.00 C ATOM 904 CG ASP A 62 3.129 14.761 -8.549 1.00 0.00 C ATOM 905 OD1 ASP A 62 3.994 15.595 -8.207 1.00 0.00 O ATOM 906 OD2 ASP A 62 2.846 14.515 -9.739 1.00 0.00 O ATOM 0 H ASP A 62 3.345 11.748 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 62 4.221 14.195 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.950 13.103 -7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.557 14.624 -7.102 1.00 0.00 H new ATOM 911 N ALA A 63 1.695 13.179 -4.513 1.00 0.00 N ATOM 912 CA ALA A 63 0.978 13.428 -3.268 1.00 0.00 C ATOM 913 C ALA A 63 1.931 13.875 -2.165 1.00 0.00 C ATOM 914 O ALA A 63 3.125 13.578 -2.206 1.00 0.00 O ATOM 915 CB ALA A 63 0.217 12.182 -2.839 1.00 0.00 C ATOM 0 H ALA A 63 1.431 12.315 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 63 0.265 14.233 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.314 12.382 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.500 11.909 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.918 11.361 -2.688 1.00 0.00 H new ATOM 921 N TYR A 64 1.396 14.589 -1.181 1.00 0.00 N ATOM 922 CA TYR A 64 2.200 15.080 -0.068 1.00 0.00 C ATOM 923 C TYR A 64 1.498 14.829 1.263 1.00 0.00 C ATOM 924 O TYR A 64 0.409 15.346 1.510 1.00 0.00 O ATOM 925 CB TYR A 64 2.483 16.573 -0.235 1.00 0.00 C ATOM 926 CG TYR A 64 3.153 17.201 0.966 1.00 0.00 C ATOM 927 CD1 TYR A 64 2.402 17.703 2.022 1.00 0.00 C ATOM 928 CD2 TYR A 64 4.538 17.290 1.046 1.00 0.00 C ATOM 929 CE1 TYR A 64 3.010 18.279 3.120 1.00 0.00 C ATOM 930 CE2 TYR A 64 5.154 17.862 2.142 1.00 0.00 C ATOM 931 CZ TYR A 64 4.386 18.355 3.176 1.00 0.00 C ATOM 932 OH TYR A 64 4.995 18.926 4.270 1.00 0.00 O ATOM 0 H TYR A 64 0.409 14.841 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 64 3.145 14.537 -0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.116 16.718 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.545 17.092 -0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.324 17.642 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.142 16.906 0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.411 18.668 3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.231 17.923 2.189 1.00 0.00 H new ATOM 0 HH TYR A 64 5.968 18.900 4.154 1.00 0.00 H new ATOM 942 N ALA A 65 2.132 14.032 2.117 1.00 0.00 N ATOM 943 CA ALA A 65 1.571 13.713 3.424 1.00 0.00 C ATOM 944 C ALA A 65 2.646 13.746 4.505 1.00 0.00 C ATOM 945 O ALA A 65 3.841 13.688 4.211 1.00 0.00 O ATOM 946 CB ALA A 65 0.894 12.352 3.392 1.00 0.00 C ATOM 0 H ALA A 65 3.034 13.596 1.927 1.00 0.00 H new ATOM 0 HA ALA A 65 0.825 14.470 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.480 12.128 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.092 12.362 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.624 11.589 3.123 1.00 0.00 H new ATOM 952 N THR A 66 2.216 13.839 5.760 1.00 0.00 N ATOM 953 CA THR A 66 3.141 13.881 6.884 1.00 0.00 C ATOM 954 C THR A 66 3.766 12.513 7.133 1.00 0.00 C ATOM 955 O THR A 66 4.896 12.414 7.612 1.00 0.00 O ATOM 956 CB THR A 66 2.440 14.355 8.172 1.00 0.00 C ATOM 957 OG1 THR A 66 3.395 14.489 9.229 1.00 0.00 O ATOM 958 CG2 THR A 66 1.352 13.376 8.587 1.00 0.00 C ATOM 0 H THR A 66 1.232 13.887 6.023 1.00 0.00 H new ATOM 0 HA THR A 66 3.924 14.593 6.622 1.00 0.00 H new ATOM 0 HB THR A 66 1.980 15.323 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.193 15.293 9.752 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.871 13.731 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.610 13.298 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.794 12.396 8.768 1.00 0.00 H new ATOM 966 N ALA A 67 3.025 11.460 6.805 1.00 0.00 N ATOM 967 CA ALA A 67 3.507 10.098 6.990 1.00 0.00 C ATOM 968 C ALA A 67 2.379 9.086 6.819 1.00 0.00 C ATOM 969 O ALA A 67 1.208 9.457 6.740 1.00 0.00 O ATOM 970 CB ALA A 67 4.149 9.948 8.361 1.00 0.00 C ATOM 0 H ALA A 67 2.087 11.525 6.409 1.00 0.00 H new ATOM 0 HA ALA A 67 4.257 9.898 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.505 8.925 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.989 10.638 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.414 10.173 9.134 1.00 0.00 H new ATOM 976 N TYR A 68 2.739 7.809 6.762 1.00 0.00 N ATOM 977 CA TYR A 68 1.756 6.745 6.597 1.00 0.00 C ATOM 978 C TYR A 68 2.053 5.578 7.534 1.00 0.00 C ATOM 979 O TYR A 68 3.086 5.554 8.204 1.00 0.00 O ATOM 980 CB TYR A 68 1.739 6.258 5.147 1.00 0.00 C ATOM 981 CG TYR A 68 3.072 5.724 4.672 1.00 0.00 C ATOM 982 CD1 TYR A 68 3.492 4.446 5.016 1.00 0.00 C ATOM 983 CD2 TYR A 68 3.911 6.499 3.881 1.00 0.00 C ATOM 984 CE1 TYR A 68 4.709 3.953 4.586 1.00 0.00 C ATOM 985 CE2 TYR A 68 5.129 6.015 3.444 1.00 0.00 C ATOM 986 CZ TYR A 68 5.523 4.742 3.800 1.00 0.00 C ATOM 987 OH TYR A 68 6.737 4.256 3.368 1.00 0.00 O ATOM 0 H TYR A 68 3.704 7.485 6.828 1.00 0.00 H new ATOM 0 HA TYR A 68 0.776 7.149 6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.986 5.476 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.435 7.081 4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.856 3.826 5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.606 7.497 3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.021 2.957 4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.768 6.629 2.828 1.00 0.00 H new ATOM 0 HH TYR A 68 6.974 3.460 3.888 1.00 0.00 H new ATOM 997 N SER A 69 1.142 4.613 7.574 1.00 0.00 N ATOM 998 CA SER A 69 1.303 3.443 8.430 1.00 0.00 C ATOM 999 C SER A 69 1.186 2.156 7.620 1.00 0.00 C ATOM 1000 O SER A 69 0.280 2.007 6.799 1.00 0.00 O ATOM 1001 CB SER A 69 0.256 3.453 9.546 1.00 0.00 C ATOM 1002 OG SER A 69 0.721 4.172 10.675 1.00 0.00 O ATOM 0 H SER A 69 0.283 4.617 7.023 1.00 0.00 H new ATOM 0 HA SER A 69 2.298 3.483 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.667 3.903 9.179 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.019 2.429 9.835 1.00 0.00 H new ATOM 0 HG SER A 69 1.693 4.072 10.749 1.00 0.00 H new ATOM 1008 N ILE A 70 2.110 1.230 7.855 1.00 0.00 N ATOM 1009 CA ILE A 70 2.111 -0.044 7.149 1.00 0.00 C ATOM 1010 C ILE A 70 1.546 -1.158 8.024 1.00 0.00 C ATOM 1011 O ILE A 70 1.831 -1.226 9.219 1.00 0.00 O ATOM 1012 CB ILE A 70 3.530 -0.434 6.693 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.515 -0.876 5.228 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.086 -1.538 7.580 1.00 0.00 C ATOM 1015 CD1 ILE A 70 4.893 -1.124 4.658 1.00 0.00 C ATOM 0 H ILE A 70 2.867 1.339 8.529 1.00 0.00 H new ATOM 0 HA ILE A 70 1.478 0.081 6.271 1.00 0.00 H new ATOM 0 HB ILE A 70 4.178 0.438 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.924 -1.787 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.016 -0.112 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.089 -1.803 7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.128 -1.189 8.612 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.440 -2.414 7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.806 -1.434 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.481 -0.208 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.387 -1.909 5.230 1.00 0.00 H new ATOM 1027 N GLN A 71 0.746 -2.031 7.420 1.00 0.00 N ATOM 1028 CA GLN A 71 0.143 -3.142 8.143 1.00 0.00 C ATOM 1029 C GLN A 71 0.187 -4.421 7.313 1.00 0.00 C ATOM 1030 O GLN A 71 0.041 -4.385 6.091 1.00 0.00 O ATOM 1031 CB GLN A 71 -1.304 -2.811 8.516 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.490 -1.395 9.036 1.00 0.00 C ATOM 1033 CD GLN A 71 -2.828 -1.195 9.719 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -3.816 -0.830 9.081 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -2.868 -1.433 11.025 1.00 0.00 N ATOM 0 H GLN A 71 0.501 -1.989 6.431 1.00 0.00 H new ATOM 0 HA GLN A 71 0.718 -3.303 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.938 -2.954 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.645 -3.515 9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.690 -1.162 9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.401 -0.693 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.025 -1.734 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.741 -1.315 11.538 1.00 0.00 H new ATOM 1044 N VAL A 72 0.387 -5.550 7.985 1.00 0.00 N ATOM 1045 CA VAL A 72 0.450 -6.841 7.309 1.00 0.00 C ATOM 1046 C VAL A 72 -0.504 -7.843 7.950 1.00 0.00 C ATOM 1047 O VAL A 72 -1.008 -7.620 9.050 1.00 0.00 O ATOM 1048 CB VAL A 72 1.877 -7.419 7.334 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.743 -6.752 6.276 1.00 0.00 C ATOM 1050 CG2 VAL A 72 2.492 -7.258 8.716 1.00 0.00 C ATOM 0 H VAL A 72 0.508 -5.597 8.997 1.00 0.00 H new ATOM 0 HA VAL A 72 0.153 -6.671 6.274 1.00 0.00 H new ATOM 0 HB VAL A 72 1.823 -8.484 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.748 -7.174 6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.310 -6.923 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.793 -5.680 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.500 -7.672 8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.534 -6.200 8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.883 -7.787 9.449 1.00 0.00 H new ATOM 1060 N SER A 73 -0.747 -8.948 7.252 1.00 0.00 N ATOM 1061 CA SER A 73 -1.644 -9.985 7.751 1.00 0.00 C ATOM 1062 C SER A 73 -0.897 -10.961 8.654 1.00 0.00 C ATOM 1063 O SER A 73 0.045 -11.625 8.224 1.00 0.00 O ATOM 1064 CB SER A 73 -2.284 -10.739 6.584 1.00 0.00 C ATOM 1065 OG SER A 73 -1.402 -11.720 6.066 1.00 0.00 O ATOM 0 H SER A 73 -0.336 -9.148 6.340 1.00 0.00 H new ATOM 0 HA SER A 73 -2.427 -9.503 8.336 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.207 -11.214 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.554 -10.035 5.796 1.00 0.00 H new ATOM 0 HG SER A 73 -0.552 -11.686 6.553 1.00 0.00 H new ATOM 1071 N ASN A 74 -1.325 -11.041 9.910 1.00 0.00 N ATOM 1072 CA ASN A 74 -0.697 -11.935 10.875 1.00 0.00 C ATOM 1073 C ASN A 74 -1.375 -11.829 12.238 1.00 0.00 C ATOM 1074 O ASN A 74 -1.821 -10.754 12.638 1.00 0.00 O ATOM 1075 CB ASN A 74 0.793 -11.611 11.009 1.00 0.00 C ATOM 1076 CG ASN A 74 1.088 -10.143 10.770 1.00 0.00 C ATOM 1077 OD1 ASN A 74 1.973 -9.795 9.988 1.00 0.00 O ATOM 1078 ND2 ASN A 74 0.346 -9.273 11.446 1.00 0.00 N ATOM 0 H ASN A 74 -2.104 -10.498 10.283 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.809 -12.956 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.135 -11.890 12.006 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.359 -12.213 10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.499 -8.272 11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.377 -9.606 12.084 1.00 0.00 H new ATOM 1085 N ASP A 75 -1.450 -12.951 12.945 1.00 0.00 N ATOM 1086 CA ASP A 75 -2.072 -12.984 14.263 1.00 0.00 C ATOM 1087 C ASP A 75 -1.644 -14.228 15.035 1.00 0.00 C ATOM 1088 O ASP A 75 -1.321 -14.154 16.221 1.00 0.00 O ATOM 1089 CB ASP A 75 -3.597 -12.950 14.132 1.00 0.00 C ATOM 1090 CG ASP A 75 -4.270 -12.364 15.357 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -3.591 -11.649 16.122 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -5.477 -12.623 15.552 1.00 0.00 O ATOM 0 H ASP A 75 -1.088 -13.850 12.627 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.742 -12.104 14.815 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.870 -12.363 13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.967 -13.962 13.967 1.00 0.00 H new ATOM 1097 N SER A 76 -1.646 -15.370 14.356 1.00 0.00 N ATOM 1098 CA SER A 76 -1.263 -16.631 14.979 1.00 0.00 C ATOM 1099 C SER A 76 0.069 -17.128 14.425 1.00 0.00 C ATOM 1100 O SER A 76 0.774 -17.902 15.072 1.00 0.00 O ATOM 1101 CB SER A 76 -2.347 -17.686 14.755 1.00 0.00 C ATOM 1102 OG SER A 76 -1.777 -18.963 14.525 1.00 0.00 O ATOM 0 H SER A 76 -1.909 -15.448 13.374 1.00 0.00 H new ATOM 0 HA SER A 76 -1.150 -16.459 16.049 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.003 -17.728 15.625 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.965 -17.402 13.903 1.00 0.00 H new ATOM 0 HG SER A 76 -2.491 -19.620 14.386 1.00 0.00 H new ATOM 1108 N GLY A 77 0.406 -16.677 13.221 1.00 0.00 N ATOM 1109 CA GLY A 77 1.652 -17.086 12.598 1.00 0.00 C ATOM 1110 C GLY A 77 1.444 -17.671 11.215 1.00 0.00 C ATOM 1111 O GLY A 77 1.839 -17.071 10.215 1.00 0.00 O ATOM 0 H GLY A 77 -0.161 -16.036 12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.319 -16.227 12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.146 -17.823 13.231 1.00 0.00 H new ATOM 1115 N SER A 78 0.825 -18.846 11.157 1.00 0.00 N ATOM 1116 CA SER A 78 0.570 -19.513 9.887 1.00 0.00 C ATOM 1117 C SER A 78 -0.771 -19.080 9.304 1.00 0.00 C ATOM 1118 O SER A 78 -0.978 -19.124 8.090 1.00 0.00 O ATOM 1119 CB SER A 78 0.592 -21.033 10.072 1.00 0.00 C ATOM 1120 OG SER A 78 0.905 -21.690 8.857 1.00 0.00 O ATOM 0 H SER A 78 0.491 -19.355 11.975 1.00 0.00 H new ATOM 0 HA SER A 78 1.358 -19.227 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.326 -21.299 10.833 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.379 -21.373 10.433 1.00 0.00 H new ATOM 0 HG SER A 78 0.914 -22.659 9.002 1.00 0.00 H new ATOM 1126 N THR A 79 -1.681 -18.659 10.177 1.00 0.00 N ATOM 1127 CA THR A 79 -3.003 -18.218 9.750 1.00 0.00 C ATOM 1128 C THR A 79 -3.202 -16.732 10.028 1.00 0.00 C ATOM 1129 O THR A 79 -3.859 -16.338 10.992 1.00 0.00 O ATOM 1130 CB THR A 79 -4.116 -19.014 10.458 1.00 0.00 C ATOM 1131 OG1 THR A 79 -3.867 -20.419 10.335 1.00 0.00 O ATOM 1132 CG2 THR A 79 -5.477 -18.682 9.867 1.00 0.00 C ATOM 0 H THR A 79 -1.526 -18.614 11.184 1.00 0.00 H new ATOM 0 HA THR A 79 -3.065 -18.396 8.676 1.00 0.00 H new ATOM 0 HB THR A 79 -4.117 -18.736 11.512 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.578 -20.918 10.789 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.247 -19.256 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.676 -17.617 9.987 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.485 -18.935 8.807 1.00 0.00 H new ATOM 1140 N PRO A 80 -2.624 -15.885 9.163 1.00 0.00 N ATOM 1141 CA PRO A 80 -2.726 -14.429 9.294 1.00 0.00 C ATOM 1142 C PRO A 80 -4.133 -13.917 9.005 1.00 0.00 C ATOM 1143 O PRO A 80 -4.789 -14.372 8.067 1.00 0.00 O ATOM 1144 CB PRO A 80 -1.741 -13.908 8.243 1.00 0.00 C ATOM 1145 CG PRO A 80 -1.657 -14.998 7.230 1.00 0.00 C ATOM 1146 CD PRO A 80 -1.827 -16.284 7.991 1.00 0.00 C ATOM 0 HA PRO A 80 -2.505 -14.095 10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.094 -12.978 7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.766 -13.700 8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.433 -14.887 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.699 -14.975 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.340 -17.039 7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.866 -16.707 8.284 1.00 0.00 H new ATOM 1154 N THR A 81 -4.591 -12.969 9.815 1.00 0.00 N ATOM 1155 CA THR A 81 -5.921 -12.396 9.646 1.00 0.00 C ATOM 1156 C THR A 81 -5.991 -10.989 10.229 1.00 0.00 C ATOM 1157 O THR A 81 -6.639 -10.106 9.667 1.00 0.00 O ATOM 1158 CB THR A 81 -6.997 -13.270 10.316 1.00 0.00 C ATOM 1159 OG1 THR A 81 -6.612 -13.582 11.659 1.00 0.00 O ATOM 1160 CG2 THR A 81 -7.213 -14.557 9.533 1.00 0.00 C ATOM 0 H THR A 81 -4.061 -12.581 10.595 1.00 0.00 H new ATOM 0 HA THR A 81 -6.113 -12.353 8.574 1.00 0.00 H new ATOM 0 HB THR A 81 -7.931 -12.709 10.329 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.303 -14.137 12.077 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.977 -15.158 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.537 -14.317 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.280 -15.119 9.492 1.00 0.00 H new ATOM 1168 N ASN A 82 -5.319 -10.786 11.358 1.00 0.00 N ATOM 1169 CA ASN A 82 -5.306 -9.485 12.015 1.00 0.00 C ATOM 1170 C ASN A 82 -4.419 -8.501 11.258 1.00 0.00 C ATOM 1171 O ASN A 82 -3.847 -8.837 10.221 1.00 0.00 O ATOM 1172 CB ASN A 82 -4.815 -9.624 13.458 1.00 0.00 C ATOM 1173 CG ASN A 82 -5.921 -10.046 14.406 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -6.839 -10.771 14.024 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -5.836 -9.592 15.652 1.00 0.00 N ATOM 0 H ASN A 82 -4.777 -11.506 11.836 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.325 -9.099 12.020 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.009 -10.356 13.496 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.398 -8.673 13.790 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.550 -9.842 16.336 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.057 -8.993 15.925 1.00 0.00 H new ATOM 1182 N TRP A 83 -4.310 -7.286 11.783 1.00 0.00 N ATOM 1183 CA TRP A 83 -3.493 -6.252 11.156 1.00 0.00 C ATOM 1184 C TRP A 83 -2.874 -5.337 12.207 1.00 0.00 C ATOM 1185 O TRP A 83 -3.566 -4.836 13.093 1.00 0.00 O ATOM 1186 CB TRP A 83 -4.334 -5.432 10.177 1.00 0.00 C ATOM 1187 CG TRP A 83 -4.070 -5.767 8.741 1.00 0.00 C ATOM 1188 CD1 TRP A 83 -2.878 -5.661 8.082 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -5.017 -6.259 7.787 1.00 0.00 C ATOM 1190 NE1 TRP A 83 -3.029 -6.058 6.774 1.00 0.00 N ATOM 1191 CE2 TRP A 83 -4.331 -6.430 6.569 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -6.377 -6.574 7.844 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 -4.960 -6.901 5.420 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -7.001 -7.041 6.702 1.00 0.00 C ATOM 1195 CH2 TRP A 83 -6.293 -7.202 5.504 1.00 0.00 C ATOM 0 H TRP A 83 -4.777 -6.992 12.641 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.688 -6.741 10.608 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -5.390 -5.594 10.392 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -4.135 -4.372 10.338 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -1.954 -5.317 8.523 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -2.291 -6.073 6.070 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.931 -6.455 8.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.416 -7.025 4.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -8.052 -7.286 6.734 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -6.809 -7.571 4.630 1.00 0.00 H new ATOM 1206 N THR A 84 -1.567 -5.122 12.101 1.00 0.00 N ATOM 1207 CA THR A 84 -0.855 -4.267 13.043 1.00 0.00 C ATOM 1208 C THR A 84 0.031 -3.264 12.313 1.00 0.00 C ATOM 1209 O THR A 84 0.660 -3.592 11.306 1.00 0.00 O ATOM 1210 CB THR A 84 0.014 -5.096 14.008 1.00 0.00 C ATOM 1211 OG1 THR A 84 -0.335 -6.481 13.915 1.00 0.00 O ATOM 1212 CG2 THR A 84 -0.163 -4.619 15.441 1.00 0.00 C ATOM 0 H THR A 84 -0.980 -5.528 11.372 1.00 0.00 H new ATOM 0 HA THR A 84 -1.611 -3.730 13.617 1.00 0.00 H new ATOM 0 HB THR A 84 1.058 -4.965 13.724 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.223 -7.001 14.530 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.460 -5.219 16.104 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.132 -3.572 15.515 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.208 -4.723 15.733 1.00 0.00 H new ATOM 1220 N THR A 85 0.079 -2.039 12.827 1.00 0.00 N ATOM 1221 CA THR A 85 0.888 -0.988 12.225 1.00 0.00 C ATOM 1222 C THR A 85 2.369 -1.198 12.517 1.00 0.00 C ATOM 1223 O THR A 85 2.748 -1.550 13.634 1.00 0.00 O ATOM 1224 CB THR A 85 0.469 0.405 12.732 1.00 0.00 C ATOM 1225 OG1 THR A 85 0.078 0.328 14.108 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.680 0.960 11.904 1.00 0.00 C ATOM 0 H THR A 85 -0.434 -1.751 13.660 1.00 0.00 H new ATOM 0 HA THR A 85 0.722 -1.040 11.149 1.00 0.00 H new ATOM 0 HB THR A 85 1.323 1.075 12.634 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.185 1.218 14.424 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.958 1.944 12.281 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.370 1.045 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.536 0.289 11.974 1.00 0.00 H new ATOM 1234 N VAL A 86 3.204 -0.980 11.505 1.00 0.00 N ATOM 1235 CA VAL A 86 4.645 -1.144 11.653 1.00 0.00 C ATOM 1236 C VAL A 86 5.385 0.132 11.272 1.00 0.00 C ATOM 1237 O VAL A 86 6.593 0.248 11.479 1.00 0.00 O ATOM 1238 CB VAL A 86 5.170 -2.307 10.791 1.00 0.00 C ATOM 1239 CG1 VAL A 86 6.439 -2.889 11.394 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.102 -3.380 10.637 1.00 0.00 C ATOM 0 H VAL A 86 2.906 -0.689 10.574 1.00 0.00 H new ATOM 0 HA VAL A 86 4.831 -1.368 12.703 1.00 0.00 H new ATOM 0 HB VAL A 86 5.411 -1.922 9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.795 -3.710 10.771 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.205 -2.115 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.228 -3.260 12.397 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.490 -4.194 10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.827 -3.764 11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.223 -2.952 10.156 1.00 0.00 H new ATOM 1250 N TYR A 87 4.654 1.090 10.712 1.00 0.00 N ATOM 1251 CA TYR A 87 5.241 2.359 10.298 1.00 0.00 C ATOM 1252 C TYR A 87 4.440 3.535 10.847 1.00 0.00 C ATOM 1253 O TYR A 87 3.213 3.481 10.928 1.00 0.00 O ATOM 1254 CB TYR A 87 5.307 2.440 8.772 1.00 0.00 C ATOM 1255 CG TYR A 87 6.431 3.313 8.261 1.00 0.00 C ATOM 1256 CD1 TYR A 87 7.744 3.094 8.658 1.00 0.00 C ATOM 1257 CD2 TYR A 87 6.179 4.359 7.381 1.00 0.00 C ATOM 1258 CE1 TYR A 87 8.773 3.889 8.194 1.00 0.00 C ATOM 1259 CE2 TYR A 87 7.202 5.158 6.910 1.00 0.00 C ATOM 1260 CZ TYR A 87 8.498 4.920 7.321 1.00 0.00 C ATOM 1261 OH TYR A 87 9.520 5.716 6.855 1.00 0.00 O ATOM 0 H TYR A 87 3.653 1.011 10.534 1.00 0.00 H new ATOM 0 HA TYR A 87 6.252 2.412 10.702 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.426 1.435 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.359 2.825 8.395 1.00 0.00 H new ATOM 0 HD1 TYR A 87 7.964 2.287 9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.166 4.550 7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.788 3.704 8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.989 5.965 6.224 1.00 0.00 H new ATOM 0 HH TYR A 87 9.148 6.547 6.493 1.00 0.00 H new ATOM 1271 N SER A 88 5.145 4.597 11.224 1.00 0.00 N ATOM 1272 CA SER A 88 4.502 5.787 11.769 1.00 0.00 C ATOM 1273 C SER A 88 5.530 6.720 12.401 1.00 0.00 C ATOM 1274 O SER A 88 6.384 6.289 13.177 1.00 0.00 O ATOM 1275 CB SER A 88 3.448 5.393 12.808 1.00 0.00 C ATOM 1276 OG SER A 88 3.894 4.303 13.597 1.00 0.00 O ATOM 0 H SER A 88 6.161 4.658 11.162 1.00 0.00 H new ATOM 0 HA SER A 88 4.015 6.314 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.229 6.246 13.450 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.519 5.126 12.305 1.00 0.00 H new ATOM 0 HG SER A 88 3.205 4.071 14.254 1.00 0.00 H new ATOM 1282 N THR A 89 5.443 8.002 12.062 1.00 0.00 N ATOM 1283 CA THR A 89 6.366 8.998 12.593 1.00 0.00 C ATOM 1284 C THR A 89 5.758 10.395 12.540 1.00 0.00 C ATOM 1285 O THR A 89 5.886 11.175 13.484 1.00 0.00 O ATOM 1286 CB THR A 89 7.698 9.000 11.818 1.00 0.00 C ATOM 1287 OG1 THR A 89 7.565 8.237 10.614 1.00 0.00 O ATOM 1288 CG2 THR A 89 8.819 8.423 12.668 1.00 0.00 C ATOM 0 H THR A 89 4.742 8.376 11.422 1.00 0.00 H new ATOM 0 HA THR A 89 6.559 8.728 13.631 1.00 0.00 H new ATOM 0 HB THR A 89 7.946 10.032 11.569 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.415 8.245 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.749 8.435 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.937 9.023 13.570 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.575 7.397 12.944 1.00 0.00 H new ATOM 1296 N THR A 90 5.096 10.705 11.430 1.00 0.00 N ATOM 1297 CA THR A 90 4.469 12.009 11.254 1.00 0.00 C ATOM 1298 C THR A 90 5.514 13.110 11.126 1.00 0.00 C ATOM 1299 O THR A 90 5.458 14.120 11.828 1.00 0.00 O ATOM 1300 CB THR A 90 3.529 12.343 12.428 1.00 0.00 C ATOM 1301 OG1 THR A 90 3.036 11.136 13.020 1.00 0.00 O ATOM 1302 CG2 THR A 90 2.361 13.198 11.960 1.00 0.00 C ATOM 0 H THR A 90 4.980 10.071 10.639 1.00 0.00 H new ATOM 0 HA THR A 90 3.886 11.957 10.334 1.00 0.00 H new ATOM 0 HB THR A 90 4.096 12.905 13.170 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.441 11.357 13.766 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.711 13.421 12.806 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.738 14.129 11.537 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.796 12.657 11.201 1.00 0.00 H new ATOM 1310 N THR A 91 6.471 12.909 10.224 1.00 0.00 N ATOM 1311 CA THR A 91 7.531 13.886 10.004 1.00 0.00 C ATOM 1312 C THR A 91 7.901 13.973 8.528 1.00 0.00 C ATOM 1313 O THR A 91 8.184 15.052 8.012 1.00 0.00 O ATOM 1314 CB THR A 91 8.792 13.538 10.819 1.00 0.00 C ATOM 1315 OG1 THR A 91 9.434 12.387 10.258 1.00 0.00 O ATOM 1316 CG2 THR A 91 8.440 13.270 12.275 1.00 0.00 C ATOM 0 H THR A 91 6.533 12.079 9.635 1.00 0.00 H new ATOM 0 HA THR A 91 7.147 14.851 10.336 1.00 0.00 H new ATOM 0 HB THR A 91 9.471 14.390 10.778 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.235 12.173 10.780 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.346 13.027 12.830 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.978 14.158 12.707 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.744 12.434 12.333 1.00 0.00 H new ATOM 1324 N GLY A 92 7.896 12.827 7.853 1.00 0.00 N ATOM 1325 CA GLY A 92 8.232 12.797 6.442 1.00 0.00 C ATOM 1326 C GLY A 92 7.534 13.888 5.656 1.00 0.00 C ATOM 1327 O GLY A 92 6.533 14.446 6.109 1.00 0.00 O ATOM 0 H GLY A 92 7.665 11.920 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.311 12.904 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.962 11.826 6.028 1.00 0.00 H new ATOM 1331 N ASP A 93 8.062 14.197 4.477 1.00 0.00 N ATOM 1332 CA ASP A 93 7.483 15.231 3.626 1.00 0.00 C ATOM 1333 C ASP A 93 6.708 14.610 2.468 1.00 0.00 C ATOM 1334 O ASP A 93 5.478 14.584 2.474 1.00 0.00 O ATOM 1335 CB ASP A 93 8.580 16.151 3.088 1.00 0.00 C ATOM 1336 CG ASP A 93 9.085 17.124 4.134 1.00 0.00 C ATOM 1337 OD1 ASP A 93 8.275 17.934 4.630 1.00 0.00 O ATOM 1338 OD2 ASP A 93 10.291 17.077 4.457 1.00 0.00 O ATOM 0 H ASP A 93 8.890 13.746 4.088 1.00 0.00 H new ATOM 0 HA ASP A 93 6.791 15.819 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.412 15.547 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.196 16.708 2.233 1.00 0.00 H new ATOM 1343 N GLY A 94 7.438 14.113 1.474 1.00 0.00 N ATOM 1344 CA GLY A 94 6.802 13.500 0.322 1.00 0.00 C ATOM 1345 C GLY A 94 7.759 12.642 -0.481 1.00 0.00 C ATOM 1346 O GLY A 94 7.530 12.383 -1.662 1.00 0.00 O ATOM 0 H GLY A 94 8.458 14.124 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.964 12.888 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.392 14.279 -0.320 1.00 0.00 H new ATOM 1350 N ALA A 95 8.835 12.199 0.161 1.00 0.00 N ATOM 1351 CA ALA A 95 9.829 11.365 -0.500 1.00 0.00 C ATOM 1352 C ALA A 95 9.561 9.885 -0.248 1.00 0.00 C ATOM 1353 O ALA A 95 8.814 9.527 0.663 1.00 0.00 O ATOM 1354 CB ALA A 95 11.228 11.736 -0.029 1.00 0.00 C ATOM 0 H ALA A 95 9.040 12.404 1.139 1.00 0.00 H new ATOM 0 HA ALA A 95 9.759 11.543 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.961 11.104 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.427 12.781 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.300 11.588 1.049 1.00 0.00 H new ATOM 1360 N ILE A 96 10.171 9.030 -1.061 1.00 0.00 N ATOM 1361 CA ILE A 96 9.997 7.590 -0.926 1.00 0.00 C ATOM 1362 C ILE A 96 10.382 7.118 0.472 1.00 0.00 C ATOM 1363 O ILE A 96 11.462 7.435 0.970 1.00 0.00 O ATOM 1364 CB ILE A 96 10.836 6.821 -1.963 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.637 7.418 -3.357 1.00 0.00 C ATOM 1366 CG2 ILE A 96 10.466 5.345 -1.955 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.857 8.136 -3.888 1.00 0.00 C ATOM 0 H ILE A 96 10.791 9.310 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 96 8.941 7.383 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 96 11.889 6.913 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.365 6.621 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.799 8.115 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.068 4.815 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.655 4.928 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.410 5.233 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.642 8.533 -4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 96 12.118 8.955 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.692 7.438 -3.950 1.00 0.00 H new ATOM 1379 N ASP A 97 9.491 6.360 1.101 1.00 0.00 N ATOM 1380 CA ASP A 97 9.738 5.841 2.442 1.00 0.00 C ATOM 1381 C ASP A 97 9.777 4.317 2.436 1.00 0.00 C ATOM 1382 O ASP A 97 8.838 3.663 1.985 1.00 0.00 O ATOM 1383 CB ASP A 97 8.658 6.332 3.407 1.00 0.00 C ATOM 1384 CG ASP A 97 9.067 7.598 4.137 1.00 0.00 C ATOM 1385 OD1 ASP A 97 10.014 8.269 3.677 1.00 0.00 O ATOM 1386 OD2 ASP A 97 8.437 7.917 5.167 1.00 0.00 O ATOM 0 H ASP A 97 8.591 6.091 0.704 1.00 0.00 H new ATOM 0 HA ASP A 97 10.708 6.210 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.737 6.516 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.442 5.550 4.135 1.00 0.00 H new ATOM 1391 N ASP A 98 10.872 3.757 2.941 1.00 0.00 N ATOM 1392 CA ASP A 98 11.034 2.309 2.994 1.00 0.00 C ATOM 1393 C ASP A 98 11.161 1.829 4.437 1.00 0.00 C ATOM 1394 O ASP A 98 12.052 2.261 5.169 1.00 0.00 O ATOM 1395 CB ASP A 98 12.266 1.883 2.192 1.00 0.00 C ATOM 1396 CG ASP A 98 12.742 0.491 2.559 1.00 0.00 C ATOM 1397 OD1 ASP A 98 13.373 0.341 3.626 1.00 0.00 O ATOM 1398 OD2 ASP A 98 12.483 -0.449 1.779 1.00 0.00 O ATOM 0 H ASP A 98 11.659 4.284 3.319 1.00 0.00 H new ATOM 0 HA ASP A 98 10.147 1.852 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.032 1.915 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.072 2.597 2.363 1.00 0.00 H new ATOM 1403 N ILE A 99 10.264 0.935 4.838 1.00 0.00 N ATOM 1404 CA ILE A 99 10.275 0.398 6.192 1.00 0.00 C ATOM 1405 C ILE A 99 10.877 -1.004 6.223 1.00 0.00 C ATOM 1406 O ILE A 99 10.497 -1.873 5.438 1.00 0.00 O ATOM 1407 CB ILE A 99 8.857 0.347 6.790 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.890 -0.277 8.187 1.00 0.00 C ATOM 1409 CG2 ILE A 99 7.925 -0.435 5.877 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.523 -0.419 8.819 1.00 0.00 C ATOM 0 H ILE A 99 9.521 0.567 4.244 1.00 0.00 H new ATOM 0 HA ILE A 99 10.890 1.069 6.792 1.00 0.00 H new ATOM 0 HB ILE A 99 8.479 1.366 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.357 -1.260 8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.519 0.335 8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.927 -0.462 6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.881 0.049 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.298 -1.453 5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.624 -0.868 9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.062 0.564 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.897 -1.055 8.193 1.00 0.00 H new ATOM 1422 N THR A 100 11.820 -1.218 7.136 1.00 0.00 N ATOM 1423 CA THR A 100 12.475 -2.512 7.270 1.00 0.00 C ATOM 1424 C THR A 100 12.247 -3.103 8.657 1.00 0.00 C ATOM 1425 O THR A 100 12.420 -2.422 9.668 1.00 0.00 O ATOM 1426 CB THR A 100 13.990 -2.404 7.013 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.616 -1.673 8.073 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.266 -1.718 5.685 1.00 0.00 C ATOM 0 H THR A 100 12.147 -0.510 7.794 1.00 0.00 H new ATOM 0 HA THR A 100 12.033 -3.169 6.521 1.00 0.00 H new ATOM 0 HB THR A 100 14.402 -3.412 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.579 -1.610 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.342 -1.653 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.814 -2.293 4.877 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.840 -0.715 5.698 1.00 0.00 H new ATOM 1436 N PHE A 101 11.858 -4.373 8.697 1.00 0.00 N ATOM 1437 CA PHE A 101 11.607 -5.056 9.961 1.00 0.00 C ATOM 1438 C PHE A 101 12.131 -6.487 9.920 1.00 0.00 C ATOM 1439 O PHE A 101 12.693 -6.926 8.917 1.00 0.00 O ATOM 1440 CB PHE A 101 10.109 -5.057 10.274 1.00 0.00 C ATOM 1441 CG PHE A 101 9.242 -4.934 9.054 1.00 0.00 C ATOM 1442 CD1 PHE A 101 8.913 -6.051 8.304 1.00 0.00 C ATOM 1443 CD2 PHE A 101 8.754 -3.699 8.657 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.116 -5.941 7.181 1.00 0.00 C ATOM 1445 CE2 PHE A 101 7.955 -3.582 7.535 1.00 0.00 C ATOM 1446 CZ PHE A 101 7.636 -4.704 6.796 1.00 0.00 C ATOM 0 H PHE A 101 11.710 -4.950 7.869 1.00 0.00 H new ATOM 0 HA PHE A 101 12.136 -4.518 10.748 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.856 -5.979 10.798 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.887 -4.233 10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.284 -7.021 8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.001 -2.818 9.231 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.869 -6.820 6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.581 -2.614 7.237 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.012 -4.615 5.919 1.00 0.00 H new ATOM 1456 N ALA A 102 11.944 -7.212 11.018 1.00 0.00 N ATOM 1457 CA ALA A 102 12.397 -8.594 11.109 1.00 0.00 C ATOM 1458 C ALA A 102 11.660 -9.479 10.109 1.00 0.00 C ATOM 1459 O ALA A 102 10.565 -9.144 9.658 1.00 0.00 O ATOM 1460 CB ALA A 102 12.206 -9.121 12.523 1.00 0.00 C ATOM 0 H ALA A 102 11.481 -6.864 11.858 1.00 0.00 H new ATOM 0 HA ALA A 102 13.459 -8.619 10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.549 -10.154 12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.782 -8.512 13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.150 -9.075 12.789 1.00 0.00 H new ATOM 1466 N ALA A 103 12.269 -10.610 9.764 1.00 0.00 N ATOM 1467 CA ALA A 103 11.670 -11.543 8.819 1.00 0.00 C ATOM 1468 C ALA A 103 10.335 -12.067 9.336 1.00 0.00 C ATOM 1469 O ALA A 103 10.286 -12.823 10.308 1.00 0.00 O ATOM 1470 CB ALA A 103 12.621 -12.698 8.543 1.00 0.00 C ATOM 0 H ALA A 103 13.177 -10.901 10.126 1.00 0.00 H new ATOM 0 HA ALA A 103 11.484 -11.009 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.160 -13.387 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.549 -12.312 8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.835 -13.223 9.474 1.00 0.00 H new ATOM 1476 N THR A 104 9.251 -11.662 8.682 1.00 0.00 N ATOM 1477 CA THR A 104 7.915 -12.089 9.077 1.00 0.00 C ATOM 1478 C THR A 104 7.071 -12.450 7.860 1.00 0.00 C ATOM 1479 O THR A 104 7.178 -11.820 6.809 1.00 0.00 O ATOM 1480 CB THR A 104 7.190 -10.994 9.883 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.282 -9.740 9.198 1.00 0.00 O ATOM 1482 CG2 THR A 104 7.788 -10.863 11.276 1.00 0.00 C ATOM 0 H THR A 104 9.273 -11.038 7.875 1.00 0.00 H new ATOM 0 HA THR A 104 8.038 -12.971 9.705 1.00 0.00 H new ATOM 0 HB THR A 104 6.142 -11.278 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.818 -9.050 9.716 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.260 -10.084 11.827 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.690 -11.811 11.805 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.843 -10.600 11.196 1.00 0.00 H new ATOM 1490 N ASN A 105 6.231 -13.469 8.010 1.00 0.00 N ATOM 1491 CA ASN A 105 5.368 -13.915 6.922 1.00 0.00 C ATOM 1492 C ASN A 105 4.089 -13.086 6.869 1.00 0.00 C ATOM 1493 O ASN A 105 3.540 -12.705 7.903 1.00 0.00 O ATOM 1494 CB ASN A 105 5.022 -15.396 7.090 1.00 0.00 C ATOM 1495 CG ASN A 105 4.650 -15.744 8.517 1.00 0.00 C ATOM 1496 OD1 ASN A 105 5.395 -16.432 9.216 1.00 0.00 O ATOM 1497 ND2 ASN A 105 3.490 -15.269 8.958 1.00 0.00 N ATOM 0 H ASN A 105 6.130 -14.001 8.874 1.00 0.00 H new ATOM 0 HA ASN A 105 5.908 -13.780 5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.193 -15.650 6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 105 5.873 -16.003 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 105 3.185 -15.470 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 105 2.904 -14.703 8.344 1.00 0.00 H new ATOM 1504 N ALA A 106 3.618 -12.811 5.657 1.00 0.00 N ATOM 1505 CA ALA A 106 2.401 -12.031 5.469 1.00 0.00 C ATOM 1506 C ALA A 106 1.743 -12.353 4.130 1.00 0.00 C ATOM 1507 O ALA A 106 2.420 -12.697 3.162 1.00 0.00 O ATOM 1508 CB ALA A 106 2.708 -10.543 5.564 1.00 0.00 C ATOM 0 H ALA A 106 4.061 -13.117 4.791 1.00 0.00 H new ATOM 0 HA ALA A 106 1.702 -12.298 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.790 -9.972 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.126 -10.320 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.428 -10.270 4.793 1.00 0.00 H new ATOM 1514 N LYS A 107 0.421 -12.239 4.084 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.330 -12.517 2.865 1.00 0.00 C ATOM 1516 C LYS A 107 -0.744 -11.221 2.174 1.00 0.00 C ATOM 1517 O LYS A 107 -0.455 -11.016 0.995 1.00 0.00 O ATOM 1518 CB LYS A 107 -1.569 -13.356 3.184 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.249 -14.688 3.841 1.00 0.00 C ATOM 1520 CD LYS A 107 -2.493 -15.549 3.991 1.00 0.00 C ATOM 1521 CE LYS A 107 -2.923 -16.143 2.659 1.00 0.00 C ATOM 1522 NZ LYS A 107 -4.403 -16.105 2.488 1.00 0.00 N ATOM 0 H LYS A 107 -0.154 -11.956 4.877 1.00 0.00 H new ATOM 0 HA LYS A 107 0.316 -13.078 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.225 -12.785 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.121 -13.538 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.507 -15.220 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.805 -14.514 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.298 -16.351 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.305 -14.949 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.449 -15.593 1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.576 -17.174 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.677 -16.720 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.862 -16.439 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.705 -15.130 2.290 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.421 -10.351 2.915 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.875 -9.076 2.374 1.00 0.00 C ATOM 1538 C PHE A 108 -1.272 -7.909 3.151 1.00 0.00 C ATOM 1539 O PHE A 108 -0.843 -8.066 4.295 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.402 -8.994 2.413 1.00 0.00 C ATOM 1541 CG PHE A 108 -4.073 -10.338 2.418 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -3.802 -11.267 1.427 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -4.975 -10.672 3.416 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -4.421 -12.503 1.429 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.595 -11.908 3.424 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.316 -12.824 2.430 1.00 0.00 C ATOM 0 H PHE A 108 -1.668 -10.506 3.893 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.542 -9.011 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.706 -8.441 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.750 -8.426 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.099 -11.023 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.196 -9.959 4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.205 -13.217 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.296 -12.156 4.207 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.797 -13.791 2.435 1.00 0.00 H new ATOM 1556 N VAL A 109 -1.242 -6.739 2.523 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.693 -5.544 3.154 1.00 0.00 C ATOM 1558 C VAL A 109 -1.677 -4.382 3.081 1.00 0.00 C ATOM 1559 O VAL A 109 -2.437 -4.259 2.121 1.00 0.00 O ATOM 1560 CB VAL A 109 0.635 -5.122 2.497 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.411 -4.738 1.041 1.00 0.00 C ATOM 1562 CG2 VAL A 109 1.269 -3.975 3.268 1.00 0.00 C ATOM 0 H VAL A 109 -1.592 -6.592 1.576 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.509 -5.794 4.199 1.00 0.00 H new ATOM 0 HB VAL A 109 1.320 -5.969 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.360 -4.443 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.003 -5.591 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.290 -3.905 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.206 -3.690 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.590 -3.122 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.465 -4.290 4.293 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.656 -3.532 4.102 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.546 -2.379 4.154 1.00 0.00 C ATOM 1574 C ARG A 110 -1.802 -1.138 4.640 1.00 0.00 C ATOM 1575 O ARG A 110 -1.177 -1.152 5.701 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.734 -2.666 5.074 1.00 0.00 C ATOM 1577 CG ARG A 110 -4.933 -1.769 4.819 1.00 0.00 C ATOM 1578 CD ARG A 110 -6.145 -2.215 5.623 1.00 0.00 C ATOM 1579 NE ARG A 110 -6.984 -1.087 6.019 1.00 0.00 N ATOM 1580 CZ ARG A 110 -8.052 -1.206 6.802 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -8.407 -2.395 7.269 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -8.765 -0.133 7.119 1.00 0.00 N ATOM 0 H ARG A 110 -1.032 -3.620 4.904 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.913 -2.190 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.036 -3.706 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.417 -2.548 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.681 -0.741 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.176 -1.779 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.735 -2.915 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.813 -2.750 6.513 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.737 -0.158 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.860 -3.222 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.227 -2.483 7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.494 0.783 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.584 -0.224 7.720 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.873 -0.067 3.855 1.00 0.00 N ATOM 1597 CA VAL A 111 -1.206 1.182 4.205 1.00 0.00 C ATOM 1598 C VAL A 111 -2.202 2.334 4.277 1.00 0.00 C ATOM 1599 O VAL A 111 -2.963 2.571 3.339 1.00 0.00 O ATOM 1600 CB VAL A 111 -0.104 1.534 3.188 1.00 0.00 C ATOM 1601 CG1 VAL A 111 -0.632 1.418 1.767 1.00 0.00 C ATOM 1602 CG2 VAL A 111 0.438 2.930 3.453 1.00 0.00 C ATOM 0 H VAL A 111 -2.385 -0.039 2.973 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.752 1.035 5.185 1.00 0.00 H new ATOM 0 HB VAL A 111 0.714 0.824 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.161 1.670 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.967 0.397 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.469 2.104 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.216 3.163 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.370 3.657 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.857 2.973 4.458 1.00 0.00 H new ATOM 1612 N TYR A 112 -2.191 3.048 5.398 1.00 0.00 N ATOM 1613 CA TYR A 112 -3.095 4.175 5.594 1.00 0.00 C ATOM 1614 C TYR A 112 -2.336 5.401 6.094 1.00 0.00 C ATOM 1615 O TYR A 112 -1.346 5.280 6.814 1.00 0.00 O ATOM 1616 CB TYR A 112 -4.198 3.804 6.587 1.00 0.00 C ATOM 1617 CG TYR A 112 -3.711 3.678 8.013 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -3.623 4.792 8.838 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -3.340 2.445 8.534 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -3.178 4.681 10.143 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -2.896 2.325 9.837 1.00 0.00 C ATOM 1622 CZ TYR A 112 -2.817 3.446 10.637 1.00 0.00 C ATOM 1623 OH TYR A 112 -2.374 3.330 11.935 1.00 0.00 O ATOM 0 H TYR A 112 -1.567 2.866 6.184 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.547 4.417 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.982 4.560 6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.648 2.860 6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.907 5.761 8.454 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.400 1.565 7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.114 5.557 10.771 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.612 1.359 10.227 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.562 3.865 12.052 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.809 6.581 5.706 1.00 0.00 N ATOM 1634 CA ALA A 113 -2.178 7.829 6.116 1.00 0.00 C ATOM 1635 C ALA A 113 -3.140 8.688 6.932 1.00 0.00 C ATOM 1636 O ALA A 113 -2.722 9.443 7.810 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.687 8.597 4.898 1.00 0.00 C ATOM 0 H ALA A 113 -3.627 6.698 5.108 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.324 7.585 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.218 9.527 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.960 7.992 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.531 8.823 4.246 1.00 0.00 H new ATOM 1643 N THR A 114 -4.430 8.568 6.636 1.00 0.00 N ATOM 1644 CA THR A 114 -5.449 9.334 7.340 1.00 0.00 C ATOM 1645 C THR A 114 -4.997 10.771 7.570 1.00 0.00 C ATOM 1646 O THR A 114 -5.290 11.367 8.608 1.00 0.00 O ATOM 1647 CB THR A 114 -5.797 8.693 8.697 1.00 0.00 C ATOM 1648 OG1 THR A 114 -6.875 9.405 9.314 1.00 0.00 O ATOM 1649 CG2 THR A 114 -4.588 8.694 9.621 1.00 0.00 C ATOM 0 H THR A 114 -4.793 7.947 5.913 1.00 0.00 H new ATOM 0 HA THR A 114 -6.337 9.333 6.708 1.00 0.00 H new ATOM 0 HB THR A 114 -6.099 7.661 8.519 1.00 0.00 H new ATOM 0 HG1 THR A 114 -6.663 10.361 9.340 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.857 8.237 10.573 1.00 0.00 H new ATOM 0 HG22 THR A 114 -3.779 8.126 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 114 -4.261 9.720 9.791 1.00 0.00 H new ATOM 1657 N THR A 115 -4.281 11.324 6.597 1.00 0.00 N ATOM 1658 CA THR A 115 -3.786 12.692 6.694 1.00 0.00 C ATOM 1659 C THR A 115 -3.877 13.406 5.350 1.00 0.00 C ATOM 1660 O THR A 115 -3.687 12.795 4.299 1.00 0.00 O ATOM 1661 CB THR A 115 -2.326 12.729 7.185 1.00 0.00 C ATOM 1662 OG1 THR A 115 -2.254 12.270 8.540 1.00 0.00 O ATOM 1663 CG2 THR A 115 -1.758 14.136 7.089 1.00 0.00 C ATOM 0 H THR A 115 -4.030 10.846 5.732 1.00 0.00 H new ATOM 0 HA THR A 115 -4.418 13.206 7.419 1.00 0.00 H new ATOM 0 HB THR A 115 -1.734 12.072 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.389 11.300 8.564 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.726 14.137 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 115 -1.788 14.470 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 115 -2.352 14.811 7.705 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.166 14.702 5.392 1.00 0.00 N ATOM 1672 CA ARG A 116 -4.281 15.499 4.177 1.00 0.00 C ATOM 1673 C ARG A 116 -3.142 15.186 3.211 1.00 0.00 C ATOM 1674 O ARG A 116 -1.970 15.223 3.586 1.00 0.00 O ATOM 1675 CB ARG A 116 -4.280 16.990 4.517 1.00 0.00 C ATOM 1676 CG ARG A 116 -5.229 17.358 5.646 1.00 0.00 C ATOM 1677 CD ARG A 116 -4.474 17.711 6.917 1.00 0.00 C ATOM 1678 NE ARG A 116 -5.345 17.711 8.089 1.00 0.00 N ATOM 1679 CZ ARG A 116 -4.946 18.083 9.301 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -3.698 18.484 9.498 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -5.798 18.054 10.319 1.00 0.00 N ATOM 0 H ARG A 116 -4.325 15.223 6.255 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.224 15.244 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -3.269 17.291 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.551 17.557 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.847 18.203 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.903 16.524 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.664 16.997 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.016 18.694 6.806 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.312 17.409 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -3.041 18.508 8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.395 18.769 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.759 17.746 10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.491 18.340 11.249 1.00 0.00 H new ATOM 1695 N ALA A 117 -3.495 14.878 1.968 1.00 0.00 N ATOM 1696 CA ALA A 117 -2.503 14.560 0.949 1.00 0.00 C ATOM 1697 C ALA A 117 -2.304 15.731 -0.009 1.00 0.00 C ATOM 1698 O ALA A 117 -1.404 16.550 0.175 1.00 0.00 O ATOM 1699 CB ALA A 117 -2.915 13.313 0.181 1.00 0.00 C ATOM 0 H ALA A 117 -4.461 14.842 1.642 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.554 14.368 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.164 13.088 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.999 12.472 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -3.877 13.484 -0.301 1.00 0.00 H new ATOM 1705 N THR A 118 -3.150 15.803 -1.032 1.00 0.00 N ATOM 1706 CA THR A 118 -3.066 16.872 -2.018 1.00 0.00 C ATOM 1707 C THR A 118 -4.294 16.884 -2.921 1.00 0.00 C ATOM 1708 O THR A 118 -5.304 16.251 -2.619 1.00 0.00 O ATOM 1709 CB THR A 118 -1.803 16.734 -2.890 1.00 0.00 C ATOM 1710 OG1 THR A 118 -0.904 15.788 -2.303 1.00 0.00 O ATOM 1711 CG2 THR A 118 -1.105 18.076 -3.046 1.00 0.00 C ATOM 0 H THR A 118 -3.901 15.133 -1.199 1.00 0.00 H new ATOM 0 HA THR A 118 -3.016 17.810 -1.464 1.00 0.00 H new ATOM 0 HB THR A 118 -2.105 16.383 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.303 14.894 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.216 17.954 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.783 18.786 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.815 18.451 -2.065 1.00 0.00 H new ATOM 1719 N ALA A 119 -4.200 17.610 -4.030 1.00 0.00 N ATOM 1720 CA ALA A 119 -5.303 17.703 -4.978 1.00 0.00 C ATOM 1721 C ALA A 119 -5.202 16.618 -6.045 1.00 0.00 C ATOM 1722 O ALA A 119 -5.807 16.725 -7.112 1.00 0.00 O ATOM 1723 CB ALA A 119 -5.329 19.080 -5.625 1.00 0.00 C ATOM 0 H ALA A 119 -3.371 18.142 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.233 17.553 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.158 19.135 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.457 19.841 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.391 19.252 -6.153 1.00 0.00 H new ATOM 1729 N TYR A 120 -4.436 15.574 -5.750 1.00 0.00 N ATOM 1730 CA TYR A 120 -4.254 14.471 -6.685 1.00 0.00 C ATOM 1731 C TYR A 120 -4.918 13.200 -6.164 1.00 0.00 C ATOM 1732 O TYR A 120 -5.693 12.555 -6.870 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.765 14.219 -6.927 1.00 0.00 C ATOM 1734 CG TYR A 120 -2.468 13.565 -8.257 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -3.103 12.387 -8.631 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -1.556 14.127 -9.141 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -2.835 11.786 -9.846 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -1.284 13.534 -10.359 1.00 0.00 C ATOM 1739 CZ TYR A 120 -1.925 12.363 -10.706 1.00 0.00 C ATOM 1740 OH TYR A 120 -1.657 11.768 -11.918 1.00 0.00 O ATOM 0 H TYR A 120 -3.931 15.469 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.727 14.746 -7.628 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.231 15.168 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.378 13.588 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.818 11.933 -7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.051 15.043 -8.872 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -3.336 10.869 -10.120 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.573 13.985 -11.036 1.00 0.00 H new ATOM 0 HH TYR A 120 -0.995 12.301 -12.405 1.00 0.00 H new ATOM 1750 N GLY A 121 -4.608 12.846 -4.920 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.183 11.654 -4.323 1.00 0.00 C ATOM 1752 C GLY A 121 -4.126 10.694 -3.812 1.00 0.00 C ATOM 1753 O GLY A 121 -3.111 11.115 -3.257 1.00 0.00 O ATOM 0 H GLY A 121 -3.969 13.363 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.836 11.943 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.805 11.146 -5.060 1.00 0.00 H new ATOM 1757 N TYR A 122 -4.365 9.401 -3.997 1.00 0.00 N ATOM 1758 CA TYR A 122 -3.428 8.378 -3.547 1.00 0.00 C ATOM 1759 C TYR A 122 -2.638 7.808 -4.721 1.00 0.00 C ATOM 1760 O TYR A 122 -3.087 6.879 -5.393 1.00 0.00 O ATOM 1761 CB TYR A 122 -4.173 7.255 -2.826 1.00 0.00 C ATOM 1762 CG TYR A 122 -5.500 7.686 -2.243 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -5.614 8.869 -1.524 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -6.640 6.910 -2.412 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -6.824 9.267 -0.990 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -7.855 7.300 -1.882 1.00 0.00 C ATOM 1767 CZ TYR A 122 -7.942 8.479 -1.172 1.00 0.00 C ATOM 1768 OH TYR A 122 -9.150 8.871 -0.641 1.00 0.00 O ATOM 0 H TYR A 122 -5.200 9.036 -4.456 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.728 8.844 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.342 6.435 -3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -3.543 6.867 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -4.741 9.488 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.575 5.986 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.895 10.190 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -8.732 6.685 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 122 -9.114 8.808 0.336 1.00 0.00 H new ATOM 1778 N SER A 123 -1.458 8.371 -4.962 1.00 0.00 N ATOM 1779 CA SER A 123 -0.606 7.921 -6.057 1.00 0.00 C ATOM 1780 C SER A 123 0.502 7.007 -5.543 1.00 0.00 C ATOM 1781 O SER A 123 1.273 7.383 -4.658 1.00 0.00 O ATOM 1782 CB SER A 123 0.004 9.123 -6.782 1.00 0.00 C ATOM 1783 OG SER A 123 0.153 10.227 -5.905 1.00 0.00 O ATOM 0 H SER A 123 -1.070 9.139 -4.414 1.00 0.00 H new ATOM 0 HA SER A 123 -1.222 7.357 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.975 8.848 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.631 9.405 -7.622 1.00 0.00 H new ATOM 0 HG SER A 123 0.394 11.025 -6.421 1.00 0.00 H new ATOM 1789 N LEU A 124 0.574 5.805 -6.102 1.00 0.00 N ATOM 1790 CA LEU A 124 1.588 4.835 -5.702 1.00 0.00 C ATOM 1791 C LEU A 124 2.242 4.195 -6.921 1.00 0.00 C ATOM 1792 O LEU A 124 1.840 3.117 -7.360 1.00 0.00 O ATOM 1793 CB LEU A 124 0.965 3.753 -4.816 1.00 0.00 C ATOM 1794 CG LEU A 124 -0.381 3.198 -5.284 1.00 0.00 C ATOM 1795 CD1 LEU A 124 -0.213 1.796 -5.849 1.00 0.00 C ATOM 1796 CD2 LEU A 124 -1.383 3.197 -4.138 1.00 0.00 C ATOM 0 H LEU A 124 -0.057 5.478 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 124 2.356 5.362 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.670 2.925 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.839 4.160 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.764 3.842 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.181 1.417 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.471 1.825 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.191 1.139 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.336 2.799 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.006 2.575 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.526 4.216 -3.778 1.00 0.00 H new ATOM 1808 N TRP A 125 3.253 4.866 -7.464 1.00 0.00 N ATOM 1809 CA TRP A 125 3.964 4.361 -8.633 1.00 0.00 C ATOM 1810 C TRP A 125 5.223 3.605 -8.220 1.00 0.00 C ATOM 1811 O TRP A 125 5.855 2.942 -9.041 1.00 0.00 O ATOM 1812 CB TRP A 125 4.331 5.514 -9.569 1.00 0.00 C ATOM 1813 CG TRP A 125 3.146 6.312 -10.021 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.831 5.961 -9.909 1.00 0.00 C ATOM 1815 CD2 TRP A 125 3.168 7.593 -10.659 1.00 0.00 C ATOM 1816 NE1 TRP A 125 1.034 6.948 -10.439 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.830 7.960 -10.905 1.00 0.00 C ATOM 1818 CE3 TRP A 125 4.188 8.468 -11.044 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.489 9.163 -11.519 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.847 9.660 -11.654 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.507 9.999 -11.886 1.00 0.00 C ATOM 0 H TRP A 125 3.598 5.760 -7.114 1.00 0.00 H new ATOM 0 HA TRP A 125 3.304 3.671 -9.159 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.033 6.175 -9.061 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.845 5.114 -10.443 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.470 5.043 -9.469 1.00 0.00 H new ATOM 0 HE1 TRP A 125 0.015 6.929 -10.479 1.00 0.00 H new ATOM 0 HE3 TRP A 125 5.224 8.217 -10.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.457 9.426 -11.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.627 10.343 -11.957 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.274 10.939 -12.364 1.00 0.00 H new ATOM 1832 N GLU A 126 5.578 3.709 -6.944 1.00 0.00 N ATOM 1833 CA GLU A 126 6.761 3.035 -6.423 1.00 0.00 C ATOM 1834 C GLU A 126 6.430 2.257 -5.153 1.00 0.00 C ATOM 1835 O GLU A 126 7.206 2.250 -4.196 1.00 0.00 O ATOM 1836 CB GLU A 126 7.870 4.050 -6.138 1.00 0.00 C ATOM 1837 CG GLU A 126 9.187 3.720 -6.820 1.00 0.00 C ATOM 1838 CD GLU A 126 9.559 4.727 -7.892 1.00 0.00 C ATOM 1839 OE1 GLU A 126 8.651 5.173 -8.625 1.00 0.00 O ATOM 1840 OE2 GLU A 126 10.755 5.069 -7.998 1.00 0.00 O ATOM 0 H GLU A 126 5.063 4.253 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 126 7.108 2.331 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.540 5.037 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 126 8.032 4.106 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.979 3.682 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 126 9.122 2.728 -7.266 1.00 0.00 H new ATOM 1847 N PHE A 127 5.274 1.602 -5.151 1.00 0.00 N ATOM 1848 CA PHE A 127 4.838 0.823 -3.999 1.00 0.00 C ATOM 1849 C PHE A 127 5.052 -0.669 -4.239 1.00 0.00 C ATOM 1850 O PHE A 127 4.329 -1.293 -5.015 1.00 0.00 O ATOM 1851 CB PHE A 127 3.363 1.096 -3.699 1.00 0.00 C ATOM 1852 CG PHE A 127 2.832 0.309 -2.535 1.00 0.00 C ATOM 1853 CD1 PHE A 127 2.460 -1.017 -2.690 1.00 0.00 C ATOM 1854 CD2 PHE A 127 2.705 0.895 -1.286 1.00 0.00 C ATOM 1855 CE1 PHE A 127 1.970 -1.743 -1.621 1.00 0.00 C ATOM 1856 CE2 PHE A 127 2.217 0.173 -0.213 1.00 0.00 C ATOM 1857 CZ PHE A 127 1.848 -1.147 -0.381 1.00 0.00 C ATOM 0 H PHE A 127 4.622 1.595 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 127 5.438 1.125 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.232 2.159 -3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 127 2.771 0.864 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.554 -1.488 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 127 2.991 1.928 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.683 -2.775 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.124 0.641 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.465 -1.712 0.456 1.00 0.00 H new ATOM 1867 N GLU A 128 6.053 -1.233 -3.569 1.00 0.00 N ATOM 1868 CA GLU A 128 6.363 -2.651 -3.711 1.00 0.00 C ATOM 1869 C GLU A 128 6.447 -3.329 -2.347 1.00 0.00 C ATOM 1870 O GLU A 128 7.250 -2.943 -1.498 1.00 0.00 O ATOM 1871 CB GLU A 128 7.682 -2.833 -4.465 1.00 0.00 C ATOM 1872 CG GLU A 128 7.561 -2.614 -5.963 1.00 0.00 C ATOM 1873 CD GLU A 128 8.876 -2.208 -6.601 1.00 0.00 C ATOM 1874 OE1 GLU A 128 9.878 -2.926 -6.403 1.00 0.00 O ATOM 1875 OE2 GLU A 128 8.903 -1.173 -7.299 1.00 0.00 O ATOM 0 H GLU A 128 6.662 -0.730 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 128 5.559 -3.118 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.419 -2.138 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 128 8.059 -3.839 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.201 -3.529 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.815 -1.843 -6.155 1.00 0.00 H new ATOM 1882 N VAL A 129 5.611 -4.342 -2.143 1.00 0.00 N ATOM 1883 CA VAL A 129 5.589 -5.075 -0.883 1.00 0.00 C ATOM 1884 C VAL A 129 5.272 -6.549 -1.110 1.00 0.00 C ATOM 1885 O VAL A 129 4.165 -6.900 -1.518 1.00 0.00 O ATOM 1886 CB VAL A 129 4.555 -4.482 0.094 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.174 -4.455 -0.544 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.536 -5.273 1.393 1.00 0.00 C ATOM 0 H VAL A 129 4.939 -4.674 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 129 6.584 -4.984 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 129 4.843 -3.456 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.456 -4.033 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.201 -3.842 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.874 -5.470 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.800 -4.841 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.272 -6.310 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.522 -5.236 1.856 1.00 0.00 H new ATOM 1898 N TYR A 130 6.250 -7.406 -0.841 1.00 0.00 N ATOM 1899 CA TYR A 130 6.076 -8.843 -1.018 1.00 0.00 C ATOM 1900 C TYR A 130 7.361 -9.593 -0.677 1.00 0.00 C ATOM 1901 O TYR A 130 8.443 -9.010 -0.643 1.00 0.00 O ATOM 1902 CB TYR A 130 5.657 -9.155 -2.456 1.00 0.00 C ATOM 1903 CG TYR A 130 6.521 -8.481 -3.498 1.00 0.00 C ATOM 1904 CD1 TYR A 130 7.845 -8.859 -3.681 1.00 0.00 C ATOM 1905 CD2 TYR A 130 6.012 -7.468 -4.301 1.00 0.00 C ATOM 1906 CE1 TYR A 130 8.638 -8.246 -4.631 1.00 0.00 C ATOM 1907 CE2 TYR A 130 6.797 -6.850 -5.255 1.00 0.00 C ATOM 1908 CZ TYR A 130 8.110 -7.242 -5.416 1.00 0.00 C ATOM 1909 OH TYR A 130 8.896 -6.630 -6.365 1.00 0.00 O ATOM 0 H TYR A 130 7.171 -7.131 -0.500 1.00 0.00 H new ATOM 0 HA TYR A 130 5.291 -9.174 -0.338 1.00 0.00 H new ATOM 0 HB2 TYR A 130 5.692 -10.234 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 130 4.622 -8.846 -2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 130 8.262 -9.646 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.985 -7.158 -4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 130 9.666 -8.551 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.385 -6.064 -5.871 1.00 0.00 H new ATOM 0 HH TYR A 130 8.372 -5.946 -6.832 1.00 0.00 H new ATOM 1919 N GLY A 131 7.230 -10.892 -0.426 1.00 0.00 N ATOM 1920 CA GLY A 131 8.387 -11.703 -0.092 1.00 0.00 C ATOM 1921 C GLY A 131 8.980 -12.395 -1.303 1.00 0.00 C ATOM 1922 O GLY A 131 9.908 -11.881 -1.928 1.00 0.00 O ATOM 0 H GLY A 131 6.344 -11.397 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.147 -11.073 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 131 8.101 -12.452 0.646 1.00 0.00 H new