USER MOD reduce.3.24.130724 H: found=0, std=0, add=1040, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1034 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 117 HIS : no HD1:sc= -6.35 K(o=-8,f=-13!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 177:sc= -1.69 (180deg=-0.064) USER MOD Set 2.1: A 91 CYS SG : rot 120:sc= -7.13! USER MOD Set 2.2: A 132 GLN : amide:sc= -8.79! C(o=-16!,f=-19!) USER MOD Set 3.1: A 42 CYS SG : rot 180:sc= 0.6 USER MOD Set 3.2: A 69 CYS SG : rot 180:sc= -0.118 USER MOD Set 3.3: A 72 CYS SG : rot 123:sc= -1.35 USER MOD Set 4.1: A 11 GLN : amide:sc= -0.203 K(o=-4.6,f=-6.3) USER MOD Set 4.2: A 14 GLN : amide:sc= -4.42! C(o=-4.6!,f=-4.6!) USER MOD Single : A 8 THR OG1 : rot 30:sc= 0.378 USER MOD Single : A 15 SER OG : rot 71:sc= 0.11 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.583 F(o=-2.1!,f=-0.58) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -26:sc= 0.599 USER MOD Single : A 41 SER OG : rot 130:sc= -1.4 USER MOD Single : A 46 HIS : +bothHN:sc= -7.61! C(o=-7.6!,f=-13!) USER MOD Single : A 51 ASN :FLIP amide:sc= -4.59! C(o=-5.7!,f=-4.6!) USER MOD Single : A 53 SER OG : rot 131:sc= -2.2! USER MOD Single : A 55 TYR OH : rot 130:sc= -0.53 USER MOD Single : A 57 ASN : amide:sc= -3.75! C(o=-3.8!,f=-17!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.183 K(o=-0.18,f=-3.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -3.93! C(o=-7.2!,f=-3.9!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 89 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.29) USER MOD Single : A 96 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.3) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -75:sc= 0.945 USER MOD Single : A 108 GLN : amide:sc= -0.39 K(o=-0.39,f=-1.9!) USER MOD Single : A 111 MET CE :methyl -110:sc= -10.4! (180deg=-11.3!) USER MOD Single : A 112 SER OG : rot -101:sc= 0.143 USER MOD Single : A 115 HIS :FLIP no HE2:sc= 0.00247 F(o=-0.7,f=0.0025) USER MOD Single : A 121 LYS NZ :NH3+ -103:sc= 0 (180deg=-1.13) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 124 THR OG1 : rot -174:sc= 0.973 USER MOD Single : A 126 MET CE :methyl -124:sc=-0.00998 (180deg=-0.0827) USER MOD Single : A 127 THR OG1 : rot -51:sc= -0.598! USER MOD Single : A 133 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 118 N THR A 8 6.967 15.659 19.316 1.00 0.00 N ATOM 119 CA THR A 8 6.005 16.418 18.520 1.00 0.00 C ATOM 120 C THR A 8 6.595 17.804 18.318 1.00 0.00 C ATOM 121 O THR A 8 6.075 18.798 18.819 1.00 0.00 O ATOM 122 CB THR A 8 4.734 16.484 19.362 1.00 0.00 C ATOM 123 OG1 THR A 8 4.370 15.173 19.767 1.00 0.00 O ATOM 124 CG2 THR A 8 3.603 17.100 18.538 1.00 0.00 C ATOM 0 HA THR A 8 5.789 15.978 17.547 1.00 0.00 H new ATOM 0 HB THR A 8 4.913 17.101 20.243 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.176 14.621 19.852 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.696 17.146 19.142 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.885 18.107 18.229 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.420 16.487 17.655 1.00 0.00 H new ATOM 132 N ASP A 9 7.699 17.874 17.619 1.00 0.00 N ATOM 133 CA ASP A 9 8.381 19.192 17.391 1.00 0.00 C ATOM 134 C ASP A 9 7.353 20.296 17.145 1.00 0.00 C ATOM 135 O ASP A 9 7.573 21.455 17.493 1.00 0.00 O ATOM 136 CB ASP A 9 9.248 18.999 16.145 1.00 0.00 C ATOM 137 CG ASP A 9 8.389 18.483 14.989 1.00 0.00 C ATOM 138 OD1 ASP A 9 8.233 17.277 14.885 1.00 0.00 O ATOM 139 OD2 ASP A 9 7.901 19.302 14.229 1.00 0.00 O ATOM 0 H ASP A 9 8.163 17.072 17.192 1.00 0.00 H new ATOM 0 HA ASP A 9 8.971 19.489 18.258 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.717 19.943 15.868 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.052 18.293 16.356 1.00 0.00 H new ATOM 144 N ASP A 10 6.216 19.961 16.591 1.00 0.00 N ATOM 145 CA ASP A 10 5.175 20.970 16.374 1.00 0.00 C ATOM 146 C ASP A 10 4.808 21.608 17.711 1.00 0.00 C ATOM 147 O ASP A 10 4.839 22.834 17.865 1.00 0.00 O ATOM 148 CB ASP A 10 4.019 20.166 15.797 1.00 0.00 C ATOM 149 CG ASP A 10 4.258 19.921 14.306 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.678 20.848 13.634 1.00 0.00 O ATOM 151 OD2 ASP A 10 4.016 18.811 13.861 1.00 0.00 O ATOM 0 H ASP A 10 5.976 19.019 16.282 1.00 0.00 H new ATOM 0 HA ASP A 10 5.471 21.786 15.715 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.926 19.215 16.322 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.081 20.703 15.942 1.00 0.00 H new ATOM 156 N GLN A 11 4.507 20.819 18.709 1.00 0.00 N ATOM 157 CA GLN A 11 4.198 21.454 20.006 1.00 0.00 C ATOM 158 C GLN A 11 5.499 21.844 20.678 1.00 0.00 C ATOM 159 O GLN A 11 5.535 22.807 21.429 1.00 0.00 O ATOM 160 CB GLN A 11 3.433 20.472 20.870 1.00 0.00 C ATOM 161 CG GLN A 11 3.189 21.155 22.216 1.00 0.00 C ATOM 162 CD GLN A 11 1.687 21.346 22.443 1.00 0.00 C ATOM 163 OE1 GLN A 11 1.117 22.359 22.042 1.00 0.00 O ATOM 164 NE2 GLN A 11 1.012 20.424 23.073 1.00 0.00 N ATOM 0 H GLN A 11 4.464 19.800 18.680 1.00 0.00 H new ATOM 0 HA GLN A 11 3.587 22.345 19.859 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.488 20.199 20.399 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.001 19.551 21.002 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.613 20.554 23.020 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.694 22.121 22.240 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.485 19.584 23.406 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.012 20.544 23.233 1.00 0.00 H new ATOM 173 N ARG A 12 6.587 21.164 20.398 1.00 0.00 N ATOM 174 CA ARG A 12 7.860 21.599 21.007 1.00 0.00 C ATOM 175 C ARG A 12 7.973 23.067 20.667 1.00 0.00 C ATOM 176 O ARG A 12 8.218 23.916 21.518 1.00 0.00 O ATOM 177 CB ARG A 12 8.951 20.805 20.307 1.00 0.00 C ATOM 178 CG ARG A 12 8.796 19.313 20.610 1.00 0.00 C ATOM 179 CD ARG A 12 8.906 19.066 22.116 1.00 0.00 C ATOM 180 NE ARG A 12 8.680 17.599 22.272 1.00 0.00 N ATOM 181 CZ ARG A 12 8.160 17.110 23.373 1.00 0.00 C ATOM 182 NH1 ARG A 12 7.824 17.893 24.368 1.00 0.00 N ATOM 183 NH2 ARG A 12 7.974 15.821 23.479 1.00 0.00 N ATOM 0 H ARG A 12 6.638 20.348 19.788 1.00 0.00 H new ATOM 0 HA ARG A 12 7.928 21.447 22.084 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.899 20.972 19.231 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.931 21.151 20.637 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.832 18.959 20.245 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.564 18.746 20.084 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.885 19.359 22.496 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.164 19.643 22.668 1.00 0.00 H new ATOM 0 HE ARG A 12 8.933 16.968 21.512 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.965 18.900 24.294 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.421 17.495 25.216 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.232 15.203 22.709 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.570 15.432 24.331 1.00 0.00 H new ATOM 197 N TRP A 13 7.710 23.382 19.424 1.00 0.00 N ATOM 198 CA TRP A 13 7.721 24.795 19.016 1.00 0.00 C ATOM 199 C TRP A 13 6.717 25.542 19.880 1.00 0.00 C ATOM 200 O TRP A 13 6.977 26.647 20.352 1.00 0.00 O ATOM 201 CB TRP A 13 7.270 24.831 17.558 1.00 0.00 C ATOM 202 CG TRP A 13 7.335 26.252 17.119 1.00 0.00 C ATOM 203 CD1 TRP A 13 6.350 26.937 16.496 1.00 0.00 C ATOM 204 CD2 TRP A 13 8.423 27.190 17.320 1.00 0.00 C ATOM 205 NE1 TRP A 13 6.768 28.245 16.318 1.00 0.00 N ATOM 206 CE2 TRP A 13 8.040 28.447 16.809 1.00 0.00 C ATOM 207 CE3 TRP A 13 9.696 27.070 17.897 1.00 0.00 C ATOM 208 CZ2 TRP A 13 8.887 29.550 16.874 1.00 0.00 C ATOM 209 CZ3 TRP A 13 10.551 28.171 17.958 1.00 0.00 C ATOM 210 CH2 TRP A 13 10.150 29.409 17.454 1.00 0.00 C ATOM 0 H TRP A 13 7.490 22.715 18.685 1.00 0.00 H new ATOM 0 HA TRP A 13 8.705 25.251 19.128 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.914 24.206 16.939 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.257 24.442 17.458 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.397 26.532 16.189 1.00 0.00 H new ATOM 0 HE1 TRP A 13 6.203 28.971 15.877 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.016 26.119 18.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.571 30.505 16.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 11.531 28.064 18.399 1.00 0.00 H new ATOM 0 HH2 TRP A 13 10.816 30.257 17.512 1.00 0.00 H new ATOM 221 N GLN A 14 5.582 24.941 20.137 1.00 0.00 N ATOM 222 CA GLN A 14 4.594 25.623 21.015 1.00 0.00 C ATOM 223 C GLN A 14 5.221 25.768 22.405 1.00 0.00 C ATOM 224 O GLN A 14 4.961 26.724 23.126 1.00 0.00 O ATOM 225 CB GLN A 14 3.360 24.708 21.027 1.00 0.00 C ATOM 226 CG GLN A 14 2.191 25.423 21.710 1.00 0.00 C ATOM 227 CD GLN A 14 2.397 25.435 23.225 1.00 0.00 C ATOM 228 OE1 GLN A 14 2.270 26.477 23.864 1.00 0.00 O ATOM 229 NE2 GLN A 14 2.708 24.327 23.840 1.00 0.00 N ATOM 0 H GLN A 14 5.304 24.026 19.783 1.00 0.00 H new ATOM 0 HA GLN A 14 4.313 26.620 20.677 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.087 24.437 20.007 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.588 23.781 21.553 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.111 26.444 21.338 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.255 24.921 21.466 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.813 23.462 23.310 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.846 24.326 24.851 1.00 0.00 H new ATOM 238 N SER A 15 6.085 24.852 22.766 1.00 0.00 N ATOM 239 CA SER A 15 6.785 24.936 24.074 1.00 0.00 C ATOM 240 C SER A 15 7.853 26.018 23.982 1.00 0.00 C ATOM 241 O SER A 15 8.187 26.703 24.955 1.00 0.00 O ATOM 242 CB SER A 15 7.428 23.561 24.275 1.00 0.00 C ATOM 243 OG SER A 15 6.518 22.552 23.856 1.00 0.00 O ATOM 0 H SER A 15 6.335 24.042 22.199 1.00 0.00 H new ATOM 0 HA SER A 15 6.121 25.186 24.901 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.354 23.492 23.703 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.690 23.419 25.324 1.00 0.00 H new ATOM 0 HG SER A 15 6.436 22.570 22.880 1.00 0.00 H new ATOM 249 N VAL A 16 8.383 26.177 22.807 1.00 0.00 N ATOM 250 CA VAL A 16 9.443 27.182 22.576 1.00 0.00 C ATOM 251 C VAL A 16 8.898 28.580 22.671 1.00 0.00 C ATOM 252 O VAL A 16 9.470 29.469 23.299 1.00 0.00 O ATOM 253 CB VAL A 16 9.935 26.878 21.164 1.00 0.00 C ATOM 254 CG1 VAL A 16 11.066 27.805 20.807 1.00 0.00 C ATOM 255 CG2 VAL A 16 10.450 25.447 21.084 1.00 0.00 C ATOM 0 H VAL A 16 8.119 25.640 21.981 1.00 0.00 H new ATOM 0 HA VAL A 16 10.239 27.128 23.319 1.00 0.00 H new ATOM 0 HB VAL A 16 9.102 27.013 20.474 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.413 27.583 19.798 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.719 28.837 20.853 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.886 27.667 21.512 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.798 25.242 20.072 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.275 25.317 21.785 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.646 24.756 21.338 1.00 0.00 H new ATOM 265 N LEU A 17 7.807 28.772 22.065 1.00 0.00 N ATOM 266 CA LEU A 17 7.157 30.088 22.078 1.00 0.00 C ATOM 267 C LEU A 17 6.458 30.299 23.416 1.00 0.00 C ATOM 268 O LEU A 17 6.305 31.415 23.906 1.00 0.00 O ATOM 269 CB LEU A 17 6.126 29.953 20.982 1.00 0.00 C ATOM 270 CG LEU A 17 6.808 29.669 19.652 1.00 0.00 C ATOM 271 CD1 LEU A 17 5.920 28.745 18.843 1.00 0.00 C ATOM 272 CD2 LEU A 17 7.019 30.976 18.899 1.00 0.00 C ATOM 0 H LEU A 17 7.309 28.055 21.538 1.00 0.00 H new ATOM 0 HA LEU A 17 7.844 30.922 21.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.432 29.148 21.223 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.539 30.869 20.910 1.00 0.00 H new ATOM 0 HG LEU A 17 7.777 29.198 19.819 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.394 28.531 17.885 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.770 27.814 19.390 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.956 29.225 18.671 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.508 30.772 17.946 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.055 31.451 18.718 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.646 31.641 19.493 1.00 0.00 H new ATOM 284 N ALA A 18 6.000 29.226 23.982 1.00 0.00 N ATOM 285 CA ALA A 18 5.256 29.298 25.272 1.00 0.00 C ATOM 286 C ALA A 18 6.179 29.421 26.488 1.00 0.00 C ATOM 287 O ALA A 18 5.703 29.691 27.589 1.00 0.00 O ATOM 288 CB ALA A 18 4.464 27.995 25.354 1.00 0.00 C ATOM 0 H ALA A 18 6.109 28.285 23.604 1.00 0.00 H new ATOM 0 HA ALA A 18 4.625 30.187 25.291 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.890 27.976 26.280 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.785 27.928 24.504 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.152 27.149 25.336 1.00 0.00 H new ATOM 294 N ARG A 19 7.470 29.196 26.351 1.00 0.00 N ATOM 295 CA ARG A 19 8.358 29.286 27.556 1.00 0.00 C ATOM 296 C ARG A 19 7.985 28.136 28.495 1.00 0.00 C ATOM 297 O ARG A 19 7.914 28.272 29.710 1.00 0.00 O ATOM 298 CB ARG A 19 8.113 30.695 28.152 1.00 0.00 C ATOM 299 CG ARG A 19 8.422 30.751 29.652 1.00 0.00 C ATOM 300 CD ARG A 19 9.787 30.122 29.964 1.00 0.00 C ATOM 301 NE ARG A 19 10.793 31.124 29.517 1.00 0.00 N ATOM 302 CZ ARG A 19 12.032 31.064 29.943 1.00 0.00 C ATOM 303 NH1 ARG A 19 12.415 30.124 30.771 1.00 0.00 N ATOM 304 NH2 ARG A 19 12.892 31.952 29.535 1.00 0.00 N ATOM 0 H ARG A 19 7.937 28.959 25.476 1.00 0.00 H new ATOM 0 HA ARG A 19 9.423 29.181 27.348 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.733 31.422 27.628 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.075 30.982 27.986 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.411 31.787 29.989 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.643 30.227 30.206 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.889 29.911 31.028 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.914 29.176 29.438 1.00 0.00 H new ATOM 0 HE ARG A 19 10.516 31.865 28.873 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.746 29.425 31.094 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.382 30.091 31.093 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.600 32.686 28.890 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.858 31.914 29.861 1.00 0.00 H new ATOM 318 N ASP A 20 7.756 26.986 27.923 1.00 0.00 N ATOM 319 CA ASP A 20 7.398 25.797 28.740 1.00 0.00 C ATOM 320 C ASP A 20 8.616 25.328 29.548 1.00 0.00 C ATOM 321 O ASP A 20 9.574 24.807 28.981 1.00 0.00 O ATOM 322 CB ASP A 20 6.984 24.727 27.727 1.00 0.00 C ATOM 323 CG ASP A 20 6.489 23.484 28.468 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.941 23.639 29.547 1.00 0.00 O ATOM 325 OD2 ASP A 20 6.667 22.396 27.945 1.00 0.00 O ATOM 0 H ASP A 20 7.802 26.820 26.918 1.00 0.00 H new ATOM 0 HA ASP A 20 6.602 26.010 29.454 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.199 25.112 27.077 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.829 24.470 27.088 1.00 0.00 H new ATOM 330 N PRO A 21 8.550 25.513 30.842 1.00 0.00 N ATOM 331 CA PRO A 21 9.662 25.091 31.730 1.00 0.00 C ATOM 332 C PRO A 21 9.690 23.563 31.860 1.00 0.00 C ATOM 333 O PRO A 21 10.452 23.008 32.650 1.00 0.00 O ATOM 334 CB PRO A 21 9.326 25.740 33.070 1.00 0.00 C ATOM 335 CG PRO A 21 7.843 25.931 33.045 1.00 0.00 C ATOM 336 CD PRO A 21 7.446 26.121 31.604 1.00 0.00 C ATOM 0 HA PRO A 21 10.642 25.386 31.355 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.628 25.105 33.903 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.845 26.691 33.189 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.336 25.067 33.474 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.556 26.797 33.641 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.496 25.634 31.385 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.327 27.177 31.359 1.00 0.00 H new ATOM 344 N ASN A 22 8.860 22.872 31.119 1.00 0.00 N ATOM 345 CA ASN A 22 8.813 21.408 31.209 1.00 0.00 C ATOM 346 C ASN A 22 9.470 20.807 29.982 1.00 0.00 C ATOM 347 O ASN A 22 9.776 19.617 29.925 1.00 0.00 O ATOM 348 CB ASN A 22 7.324 21.166 31.179 1.00 0.00 C ATOM 349 CG ASN A 22 7.046 19.683 31.043 1.00 0.00 C ATOM 350 OD1 ASN A 22 7.177 19.149 29.868 1.00 0.00 O flip ATOM 351 ND2 ASN A 22 6.705 19.005 32.008 1.00 0.00 N flip ATOM 0 H ASN A 22 8.208 23.281 30.449 1.00 0.00 H new ATOM 0 HA ASN A 22 9.320 20.980 32.074 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.866 21.549 32.091 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.875 21.707 30.346 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.606 19.438 32.926 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.521 18.009 31.892 1.00 0.00 H new ATOM 358 N ALA A 23 9.725 21.628 29.019 1.00 0.00 N ATOM 359 CA ALA A 23 10.406 21.143 27.799 1.00 0.00 C ATOM 360 C ALA A 23 11.812 21.717 27.760 1.00 0.00 C ATOM 361 O ALA A 23 12.639 21.372 26.907 1.00 0.00 O ATOM 362 CB ALA A 23 9.599 21.688 26.631 1.00 0.00 C ATOM 0 H ALA A 23 9.491 22.621 29.021 1.00 0.00 H new ATOM 0 HA ALA A 23 10.473 20.056 27.767 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.051 21.364 25.694 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.577 21.314 26.689 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.589 22.777 26.672 1.00 0.00 H new ATOM 368 N ASP A 24 12.093 22.581 28.692 1.00 0.00 N ATOM 369 CA ASP A 24 13.427 23.199 28.763 1.00 0.00 C ATOM 370 C ASP A 24 14.384 22.127 29.254 1.00 0.00 C ATOM 371 O ASP A 24 14.116 21.454 30.234 1.00 0.00 O ATOM 372 CB ASP A 24 13.240 24.334 29.784 1.00 0.00 C ATOM 373 CG ASP A 24 14.326 25.394 29.631 1.00 0.00 C ATOM 374 OD1 ASP A 24 15.025 25.353 28.643 1.00 0.00 O ATOM 375 OD2 ASP A 24 14.426 26.243 30.502 1.00 0.00 O ATOM 0 H ASP A 24 11.440 22.884 29.414 1.00 0.00 H new ATOM 0 HA ASP A 24 13.824 23.587 27.825 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.260 24.791 29.649 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.265 23.926 30.795 1.00 0.00 H new ATOM 380 N GLY A 25 15.451 21.897 28.562 1.00 0.00 N ATOM 381 CA GLY A 25 16.368 20.789 28.979 1.00 0.00 C ATOM 382 C GLY A 25 16.061 19.603 28.067 1.00 0.00 C ATOM 383 O GLY A 25 16.929 18.799 27.734 1.00 0.00 O ATOM 0 H GLY A 25 15.737 22.416 27.732 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.411 21.092 28.883 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.207 20.526 30.024 1.00 0.00 H new ATOM 387 N GLU A 26 14.824 19.505 27.639 1.00 0.00 N ATOM 388 CA GLU A 26 14.417 18.417 26.732 1.00 0.00 C ATOM 389 C GLU A 26 14.906 18.733 25.320 1.00 0.00 C ATOM 390 O GLU A 26 15.485 17.885 24.645 1.00 0.00 O ATOM 391 CB GLU A 26 12.889 18.405 26.785 1.00 0.00 C ATOM 392 CG GLU A 26 12.368 17.059 26.275 1.00 0.00 C ATOM 393 CD GLU A 26 10.971 17.245 25.680 1.00 0.00 C ATOM 394 OE1 GLU A 26 10.170 17.925 26.299 1.00 0.00 O ATOM 395 OE2 GLU A 26 10.725 16.702 24.615 1.00 0.00 O ATOM 0 H GLU A 26 14.076 20.151 27.892 1.00 0.00 H new ATOM 0 HA GLU A 26 14.833 17.450 27.015 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.549 18.574 27.807 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.488 19.216 26.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.045 16.657 25.522 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.334 16.337 27.091 1.00 0.00 H new ATOM 402 N PHE A 27 14.688 19.943 24.858 1.00 0.00 N ATOM 403 CA PHE A 27 15.162 20.293 23.481 1.00 0.00 C ATOM 404 C PHE A 27 15.456 21.775 23.326 1.00 0.00 C ATOM 405 O PHE A 27 15.123 22.601 24.164 1.00 0.00 O ATOM 406 CB PHE A 27 14.046 19.904 22.521 1.00 0.00 C ATOM 407 CG PHE A 27 12.905 20.911 22.546 1.00 0.00 C ATOM 408 CD1 PHE A 27 11.937 20.850 23.556 1.00 0.00 C ATOM 409 CD2 PHE A 27 12.784 21.862 21.520 1.00 0.00 C ATOM 410 CE1 PHE A 27 10.848 21.741 23.544 1.00 0.00 C ATOM 411 CE2 PHE A 27 11.687 22.742 21.503 1.00 0.00 C ATOM 412 CZ PHE A 27 10.720 22.677 22.515 1.00 0.00 C ATOM 0 H PHE A 27 14.212 20.690 25.364 1.00 0.00 H new ATOM 0 HA PHE A 27 16.093 19.764 23.278 1.00 0.00 H new ATOM 0 HB2 PHE A 27 14.445 19.831 21.509 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.666 18.917 22.785 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.026 20.118 24.345 1.00 0.00 H new ATOM 0 HD2 PHE A 27 13.533 21.918 20.744 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.110 21.701 24.332 1.00 0.00 H new ATOM 0 HE2 PHE A 27 11.590 23.468 20.710 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.876 23.350 22.499 1.00 0.00 H new ATOM 422 N VAL A 28 16.049 22.101 22.225 1.00 0.00 N ATOM 423 CA VAL A 28 16.374 23.514 21.901 1.00 0.00 C ATOM 424 C VAL A 28 15.773 23.814 20.562 1.00 0.00 C ATOM 425 O VAL A 28 15.262 22.925 19.886 1.00 0.00 O ATOM 426 CB VAL A 28 17.900 23.632 21.796 1.00 0.00 C ATOM 427 CG1 VAL A 28 18.547 22.424 22.434 1.00 0.00 C ATOM 428 CG2 VAL A 28 18.339 23.674 20.342 1.00 0.00 C ATOM 0 H VAL A 28 16.333 21.430 21.511 1.00 0.00 H new ATOM 0 HA VAL A 28 15.993 24.199 22.658 1.00 0.00 H new ATOM 0 HB VAL A 28 18.201 24.550 22.301 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.631 22.509 22.359 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.260 22.369 23.484 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.218 21.521 21.920 1.00 0.00 H new ATOM 0 HG21 VAL A 28 19.425 23.758 20.292 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.022 22.760 19.840 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.886 24.534 19.850 1.00 0.00 H new ATOM 438 N PHE A 29 15.877 25.016 20.133 1.00 0.00 N ATOM 439 CA PHE A 29 15.363 25.323 18.796 1.00 0.00 C ATOM 440 C PHE A 29 16.319 26.264 18.099 1.00 0.00 C ATOM 441 O PHE A 29 16.669 27.328 18.598 1.00 0.00 O ATOM 442 CB PHE A 29 13.951 25.856 18.987 1.00 0.00 C ATOM 443 CG PHE A 29 13.871 27.376 19.023 1.00 0.00 C ATOM 444 CD1 PHE A 29 13.769 28.106 17.832 1.00 0.00 C ATOM 445 CD2 PHE A 29 13.794 28.044 20.255 1.00 0.00 C ATOM 446 CE1 PHE A 29 13.604 29.502 17.875 1.00 0.00 C ATOM 447 CE2 PHE A 29 13.616 29.433 20.293 1.00 0.00 C ATOM 448 CZ PHE A 29 13.523 30.161 19.106 1.00 0.00 C ATOM 0 H PHE A 29 16.292 25.796 20.643 1.00 0.00 H new ATOM 0 HA PHE A 29 15.300 24.455 18.140 1.00 0.00 H new ATOM 0 HB2 PHE A 29 13.320 25.487 18.178 1.00 0.00 H new ATOM 0 HB3 PHE A 29 13.544 25.457 19.916 1.00 0.00 H new ATOM 0 HD1 PHE A 29 13.817 27.597 16.881 1.00 0.00 H new ATOM 0 HD2 PHE A 29 13.872 27.486 21.176 1.00 0.00 H new ATOM 0 HE1 PHE A 29 13.540 30.066 16.956 1.00 0.00 H new ATOM 0 HE2 PHE A 29 13.551 29.942 21.243 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.389 31.232 19.138 1.00 0.00 H new ATOM 458 N ALA A 30 16.795 25.827 16.980 1.00 0.00 N ATOM 459 CA ALA A 30 17.815 26.610 16.230 1.00 0.00 C ATOM 460 C ALA A 30 17.222 27.423 15.092 1.00 0.00 C ATOM 461 O ALA A 30 16.776 26.891 14.078 1.00 0.00 O ATOM 462 CB ALA A 30 18.777 25.563 15.676 1.00 0.00 C ATOM 0 H ALA A 30 16.521 24.948 16.541 1.00 0.00 H new ATOM 0 HA ALA A 30 18.294 27.338 16.884 1.00 0.00 H new ATOM 0 HB1 ALA A 30 19.564 26.057 15.107 1.00 0.00 H new ATOM 0 HB2 ALA A 30 19.221 25.005 16.500 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.234 24.878 15.025 1.00 0.00 H new ATOM 468 N VAL A 31 17.265 28.711 15.231 1.00 0.00 N ATOM 469 CA VAL A 31 16.764 29.600 14.159 1.00 0.00 C ATOM 470 C VAL A 31 17.930 29.828 13.184 1.00 0.00 C ATOM 471 O VAL A 31 18.861 30.592 13.464 1.00 0.00 O ATOM 472 CB VAL A 31 16.385 30.900 14.864 1.00 0.00 C ATOM 473 CG1 VAL A 31 15.409 31.683 13.998 1.00 0.00 C ATOM 474 CG2 VAL A 31 15.726 30.599 16.202 1.00 0.00 C ATOM 0 H VAL A 31 17.631 29.192 16.053 1.00 0.00 H new ATOM 0 HA VAL A 31 15.914 29.200 13.606 1.00 0.00 H new ATOM 0 HB VAL A 31 17.289 31.485 15.030 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.139 32.611 14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.876 31.913 13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.512 31.087 13.830 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.460 31.534 16.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.826 30.006 16.039 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.419 30.041 16.832 1.00 0.00 H new ATOM 484 N ARG A 32 17.908 29.154 12.070 1.00 0.00 N ATOM 485 CA ARG A 32 19.004 29.278 11.065 1.00 0.00 C ATOM 486 C ARG A 32 19.083 30.689 10.503 1.00 0.00 C ATOM 487 O ARG A 32 20.095 31.112 9.949 1.00 0.00 O ATOM 488 CB ARG A 32 18.548 28.366 9.946 1.00 0.00 C ATOM 489 CG ARG A 32 18.881 26.912 10.277 1.00 0.00 C ATOM 490 CD ARG A 32 18.791 26.063 9.004 1.00 0.00 C ATOM 491 NE ARG A 32 20.179 25.569 8.764 1.00 0.00 N ATOM 492 CZ ARG A 32 20.489 24.972 7.639 1.00 0.00 C ATOM 493 NH1 ARG A 32 19.591 24.795 6.705 1.00 0.00 N ATOM 494 NH2 ARG A 32 21.708 24.548 7.449 1.00 0.00 N ATOM 0 H ARG A 32 17.163 28.509 11.807 1.00 0.00 H new ATOM 0 HA ARG A 32 19.976 29.039 11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.474 28.475 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.033 28.654 9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.883 26.845 10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.190 26.532 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.095 25.234 9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.432 26.654 8.161 1.00 0.00 H new ATOM 0 HE ARG A 32 20.892 25.697 9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.636 25.123 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.846 24.329 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.413 24.682 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 32 21.956 24.083 6.576 1.00 0.00 H new ATOM 508 N THR A 33 18.022 31.412 10.636 1.00 0.00 N ATOM 509 CA THR A 33 17.990 32.808 10.113 1.00 0.00 C ATOM 510 C THR A 33 18.972 33.660 10.906 1.00 0.00 C ATOM 511 O THR A 33 19.578 34.597 10.389 1.00 0.00 O ATOM 512 CB THR A 33 16.549 33.284 10.326 1.00 0.00 C ATOM 513 OG1 THR A 33 16.286 34.386 9.466 1.00 0.00 O ATOM 514 CG2 THR A 33 16.332 33.720 11.779 1.00 0.00 C ATOM 0 H THR A 33 17.162 31.101 11.088 1.00 0.00 H new ATOM 0 HA THR A 33 18.275 32.877 9.063 1.00 0.00 H new ATOM 0 HB THR A 33 15.873 32.459 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.364 34.692 9.599 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.303 34.054 11.909 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.527 32.879 12.444 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.012 34.537 12.019 1.00 0.00 H new ATOM 522 N THR A 34 19.138 33.341 12.155 1.00 0.00 N ATOM 523 CA THR A 34 20.087 34.124 13.000 1.00 0.00 C ATOM 524 C THR A 34 21.231 33.233 13.493 1.00 0.00 C ATOM 525 O THR A 34 22.069 33.657 14.286 1.00 0.00 O ATOM 526 CB THR A 34 19.256 34.641 14.175 1.00 0.00 C ATOM 527 OG1 THR A 34 20.092 35.370 15.062 1.00 0.00 O ATOM 528 CG2 THR A 34 18.621 33.470 14.918 1.00 0.00 C ATOM 0 H THR A 34 18.661 32.575 12.630 1.00 0.00 H new ATOM 0 HA THR A 34 20.546 34.941 12.443 1.00 0.00 H new ATOM 0 HB THR A 34 18.468 35.293 13.797 1.00 0.00 H new ATOM 0 HG1 THR A 34 21.015 35.053 14.976 1.00 0.00 H new ATOM 0 HG21 THR A 34 18.031 33.846 15.754 1.00 0.00 H new ATOM 0 HG22 THR A 34 17.975 32.915 14.238 1.00 0.00 H new ATOM 0 HG23 THR A 34 19.403 32.811 15.294 1.00 0.00 H new ATOM 536 N GLY A 35 21.284 32.010 13.037 1.00 0.00 N ATOM 537 CA GLY A 35 22.374 31.097 13.474 1.00 0.00 C ATOM 538 C GLY A 35 22.336 30.939 14.994 1.00 0.00 C ATOM 539 O GLY A 35 23.370 30.800 15.643 1.00 0.00 O ATOM 0 H GLY A 35 20.617 31.605 12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 35 22.261 30.125 12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 35 23.340 31.495 13.164 1.00 0.00 H new ATOM 543 N ILE A 36 21.165 30.948 15.576 1.00 0.00 N ATOM 544 CA ILE A 36 21.078 30.783 17.062 1.00 0.00 C ATOM 545 C ILE A 36 20.177 29.613 17.384 1.00 0.00 C ATOM 546 O ILE A 36 19.325 29.219 16.596 1.00 0.00 O ATOM 547 CB ILE A 36 20.402 32.049 17.616 1.00 0.00 C ATOM 548 CG1 ILE A 36 21.320 33.250 17.481 1.00 0.00 C ATOM 549 CG2 ILE A 36 20.065 31.877 19.122 1.00 0.00 C ATOM 550 CD1 ILE A 36 20.559 34.459 18.007 1.00 0.00 C ATOM 0 H ILE A 36 20.273 31.061 15.095 1.00 0.00 H new ATOM 0 HA ILE A 36 22.069 30.622 17.487 1.00 0.00 H new ATOM 0 HB ILE A 36 19.489 32.206 17.041 1.00 0.00 H new ATOM 0 HG12 ILE A 36 22.239 33.098 18.047 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.608 33.399 16.440 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.588 32.784 19.494 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.388 31.032 19.249 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.982 31.694 19.682 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.186 35.347 17.927 1.00 0.00 H new ATOM 0 HD12 ILE A 36 19.652 34.602 17.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 20.293 34.295 19.051 1.00 0.00 H new ATOM 562 N PHE A 37 20.295 29.119 18.564 1.00 0.00 N ATOM 563 CA PHE A 37 19.392 28.049 19.014 1.00 0.00 C ATOM 564 C PHE A 37 19.148 28.287 20.479 1.00 0.00 C ATOM 565 O PHE A 37 20.080 28.395 21.276 1.00 0.00 O ATOM 566 CB PHE A 37 20.060 26.695 18.755 1.00 0.00 C ATOM 567 CG PHE A 37 20.946 26.303 19.898 1.00 0.00 C ATOM 568 CD1 PHE A 37 20.370 25.772 21.054 1.00 0.00 C ATOM 569 CD2 PHE A 37 22.328 26.431 19.795 1.00 0.00 C ATOM 570 CE1 PHE A 37 21.173 25.367 22.110 1.00 0.00 C ATOM 571 CE2 PHE A 37 23.136 26.032 20.857 1.00 0.00 C ATOM 572 CZ PHE A 37 22.556 25.495 22.016 1.00 0.00 C ATOM 0 H PHE A 37 20.990 29.415 19.250 1.00 0.00 H new ATOM 0 HA PHE A 37 18.442 28.047 18.480 1.00 0.00 H new ATOM 0 HB2 PHE A 37 19.296 25.932 18.605 1.00 0.00 H new ATOM 0 HB3 PHE A 37 20.646 26.745 17.837 1.00 0.00 H new ATOM 0 HD1 PHE A 37 19.297 25.676 21.126 1.00 0.00 H new ATOM 0 HD2 PHE A 37 22.771 26.837 18.898 1.00 0.00 H new ATOM 0 HE1 PHE A 37 20.727 24.954 23.002 1.00 0.00 H new ATOM 0 HE2 PHE A 37 24.209 26.136 20.788 1.00 0.00 H new ATOM 0 HZ PHE A 37 23.184 25.180 22.837 1.00 0.00 H new ATOM 596 N ARG A 39 16.802 27.585 24.139 1.00 0.00 N ATOM 597 CA ARG A 39 16.127 26.495 24.812 1.00 0.00 C ATOM 598 C ARG A 39 14.696 26.572 24.322 1.00 0.00 C ATOM 599 O ARG A 39 14.371 27.455 23.527 1.00 0.00 O ATOM 600 CB ARG A 39 16.255 26.812 26.290 1.00 0.00 C ATOM 601 CG ARG A 39 17.003 25.675 26.984 1.00 0.00 C ATOM 602 CD ARG A 39 17.624 26.168 28.300 1.00 0.00 C ATOM 603 NE ARG A 39 16.685 27.194 28.857 1.00 0.00 N ATOM 604 CZ ARG A 39 16.887 27.698 30.041 1.00 0.00 C ATOM 605 NH1 ARG A 39 17.906 27.318 30.759 1.00 0.00 N ATOM 606 NH2 ARG A 39 16.064 28.593 30.515 1.00 0.00 N ATOM 0 HA ARG A 39 16.517 25.494 24.628 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.789 27.752 26.428 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.268 26.938 26.734 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.319 24.850 27.184 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.784 25.291 26.328 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.756 25.343 29.000 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.610 26.599 28.126 1.00 0.00 H new ATOM 0 HE ARG A 39 15.883 27.500 28.306 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.554 26.620 30.395 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.055 27.719 31.685 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.265 28.896 29.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.220 28.989 31.442 1.00 0.00 H new ATOM 620 N PRO A 40 13.883 25.687 24.748 1.00 0.00 N ATOM 621 CA PRO A 40 12.505 25.719 24.277 1.00 0.00 C ATOM 622 C PRO A 40 11.730 26.784 25.039 1.00 0.00 C ATOM 623 O PRO A 40 10.553 27.000 24.799 1.00 0.00 O ATOM 624 CB PRO A 40 12.005 24.316 24.560 1.00 0.00 C ATOM 625 CG PRO A 40 12.861 23.795 25.669 1.00 0.00 C ATOM 626 CD PRO A 40 14.131 24.611 25.699 1.00 0.00 C ATOM 0 HA PRO A 40 12.394 25.977 23.224 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.954 24.326 24.849 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.086 23.686 23.674 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.337 23.869 26.622 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.089 22.741 25.512 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.332 25.000 26.697 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.996 24.014 25.409 1.00 0.00 H new ATOM 634 N SER A 41 12.348 27.453 25.970 1.00 0.00 N ATOM 635 CA SER A 41 11.606 28.483 26.708 1.00 0.00 C ATOM 636 C SER A 41 12.178 29.907 26.487 1.00 0.00 C ATOM 637 O SER A 41 11.937 30.792 27.302 1.00 0.00 O ATOM 638 CB SER A 41 11.710 28.050 28.164 1.00 0.00 C ATOM 639 OG SER A 41 12.964 27.418 28.385 1.00 0.00 O ATOM 0 H SER A 41 13.323 27.327 26.242 1.00 0.00 H new ATOM 0 HA SER A 41 10.573 28.557 26.367 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.607 28.915 28.819 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.898 27.365 28.409 1.00 0.00 H new ATOM 0 HG SER A 41 13.396 27.814 29.170 1.00 0.00 H new ATOM 645 N CYS A 42 12.921 30.180 25.426 1.00 0.00 N ATOM 646 CA CYS A 42 13.452 31.576 25.264 1.00 0.00 C ATOM 647 C CYS A 42 12.300 32.561 25.195 1.00 0.00 C ATOM 648 O CYS A 42 11.445 32.499 24.316 1.00 0.00 O ATOM 649 CB CYS A 42 14.229 31.657 23.965 1.00 0.00 C ATOM 650 SG CYS A 42 15.064 33.281 23.914 1.00 0.00 S ATOM 0 H CYS A 42 13.173 29.519 24.692 1.00 0.00 H new ATOM 0 HA CYS A 42 14.093 31.818 26.112 1.00 0.00 H new ATOM 0 HB2 CYS A 42 14.959 30.850 23.906 1.00 0.00 H new ATOM 0 HB3 CYS A 42 13.560 31.545 23.112 1.00 0.00 H new ATOM 0 HG CYS A 42 15.744 33.385 22.811 1.00 0.00 H new ATOM 655 N ARG A 43 12.273 33.462 26.106 1.00 0.00 N ATOM 656 CA ARG A 43 11.185 34.477 26.123 1.00 0.00 C ATOM 657 C ARG A 43 11.670 35.814 25.546 1.00 0.00 C ATOM 658 O ARG A 43 10.975 36.823 25.646 1.00 0.00 O ATOM 659 CB ARG A 43 10.776 34.631 27.594 1.00 0.00 C ATOM 660 CG ARG A 43 11.652 35.659 28.330 1.00 0.00 C ATOM 661 CD ARG A 43 13.149 35.350 28.207 1.00 0.00 C ATOM 662 NE ARG A 43 13.491 34.603 29.452 1.00 0.00 N ATOM 663 CZ ARG A 43 14.737 34.313 29.736 1.00 0.00 C ATOM 664 NH1 ARG A 43 15.706 34.672 28.935 1.00 0.00 N ATOM 665 NH2 ARG A 43 15.012 33.659 30.832 1.00 0.00 N ATOM 0 H ARG A 43 12.960 33.551 26.855 1.00 0.00 H new ATOM 0 HA ARG A 43 10.342 34.165 25.506 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.732 34.938 27.650 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.851 33.666 28.094 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.455 36.653 27.928 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.374 35.680 29.384 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.357 34.754 27.319 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.735 36.265 28.122 1.00 0.00 H new ATOM 0 HE ARG A 43 12.748 34.315 30.089 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.496 35.184 28.078 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.672 34.440 29.167 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.259 33.377 31.460 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.979 33.430 31.060 1.00 0.00 H new ATOM 679 N ALA A 44 12.846 35.864 24.962 1.00 0.00 N ATOM 680 CA ALA A 44 13.323 37.177 24.422 1.00 0.00 C ATOM 681 C ALA A 44 12.350 37.673 23.358 1.00 0.00 C ATOM 682 O ALA A 44 11.864 38.801 23.394 1.00 0.00 O ATOM 683 CB ALA A 44 14.693 36.882 23.807 1.00 0.00 C ATOM 0 H ALA A 44 13.480 35.075 24.838 1.00 0.00 H new ATOM 0 HA ALA A 44 13.387 37.949 25.189 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.109 37.799 23.389 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.362 36.498 24.577 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.585 36.139 23.017 1.00 0.00 H new ATOM 689 N ARG A 45 12.050 36.811 22.440 1.00 0.00 N ATOM 690 CA ARG A 45 11.093 37.101 21.328 1.00 0.00 C ATOM 691 C ARG A 45 11.252 35.879 20.388 1.00 0.00 C ATOM 692 O ARG A 45 12.042 34.988 20.704 1.00 0.00 O ATOM 693 CB ARG A 45 11.541 38.450 20.711 1.00 0.00 C ATOM 694 CG ARG A 45 10.387 39.105 19.954 1.00 0.00 C ATOM 695 CD ARG A 45 10.336 40.620 20.280 1.00 0.00 C ATOM 696 NE ARG A 45 11.758 41.120 20.236 1.00 0.00 N ATOM 697 CZ ARG A 45 12.203 41.987 21.113 1.00 0.00 C ATOM 698 NH1 ARG A 45 11.428 42.453 22.059 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.440 42.392 21.039 1.00 0.00 N ATOM 0 H ARG A 45 12.444 35.871 22.407 1.00 0.00 H new ATOM 0 HA ARG A 45 10.042 37.215 21.594 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.892 39.117 21.498 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.380 38.286 20.035 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.514 38.959 18.881 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.444 38.633 20.230 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.716 41.151 19.557 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.896 40.790 21.263 1.00 0.00 H new ATOM 0 HE ARG A 45 12.386 40.777 19.509 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.459 42.142 22.124 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.793 43.127 22.732 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.051 42.035 20.304 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.797 43.066 21.716 1.00 0.00 H new ATOM 713 N HIS A 46 10.531 35.735 19.306 1.00 0.00 N ATOM 714 CA HIS A 46 10.717 34.465 18.511 1.00 0.00 C ATOM 715 C HIS A 46 10.688 34.610 16.999 1.00 0.00 C ATOM 716 O HIS A 46 9.986 35.432 16.428 1.00 0.00 O ATOM 717 CB HIS A 46 9.560 33.587 18.912 1.00 0.00 C ATOM 718 CG HIS A 46 9.950 32.770 20.093 1.00 0.00 C ATOM 719 ND1 HIS A 46 10.247 31.434 19.978 1.00 0.00 N ATOM 720 CD2 HIS A 46 10.044 33.069 21.421 1.00 0.00 C ATOM 721 CE1 HIS A 46 10.479 30.974 21.203 1.00 0.00 C ATOM 722 NE2 HIS A 46 10.375 31.925 22.129 1.00 0.00 N ATOM 0 H HIS A 46 9.850 36.402 18.944 1.00 0.00 H new ATOM 0 HA HIS A 46 11.712 34.078 18.732 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.690 34.199 19.150 1.00 0.00 H new ATOM 0 HB3 HIS A 46 9.277 32.938 18.084 1.00 0.00 H new ATOM 0 HD1 HIS A 46 10.283 30.895 19.113 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.885 34.046 21.853 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.724 29.945 21.423 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.509 31.832 23.136 1.00 0.00 H new ATOM 730 N ALA A 47 11.381 33.724 16.352 1.00 0.00 N ATOM 731 CA ALA A 47 11.387 33.685 14.872 1.00 0.00 C ATOM 732 C ALA A 47 10.507 32.518 14.409 1.00 0.00 C ATOM 733 O ALA A 47 10.232 31.593 15.172 1.00 0.00 O ATOM 734 CB ALA A 47 12.844 33.455 14.478 1.00 0.00 C ATOM 0 H ALA A 47 11.956 33.009 16.798 1.00 0.00 H new ATOM 0 HA ALA A 47 10.999 34.597 14.419 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.925 33.415 13.392 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.457 34.272 14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.192 32.513 14.903 1.00 0.00 H new ATOM 740 N LEU A 48 10.033 32.553 13.196 1.00 0.00 N ATOM 741 CA LEU A 48 9.147 31.472 12.704 1.00 0.00 C ATOM 742 C LEU A 48 9.752 30.077 12.917 1.00 0.00 C ATOM 743 O LEU A 48 10.963 29.912 13.057 1.00 0.00 O ATOM 744 CB LEU A 48 8.971 31.749 11.210 1.00 0.00 C ATOM 745 CG LEU A 48 7.922 32.844 11.011 1.00 0.00 C ATOM 746 CD1 LEU A 48 8.252 33.640 9.747 1.00 0.00 C ATOM 747 CD2 LEU A 48 6.540 32.205 10.864 1.00 0.00 C ATOM 0 H LEU A 48 10.225 33.293 12.521 1.00 0.00 H new ATOM 0 HA LEU A 48 8.203 31.470 13.249 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.921 32.057 10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.664 30.839 10.695 1.00 0.00 H new ATOM 0 HG LEU A 48 7.924 33.511 11.873 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.505 34.421 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.237 34.095 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.249 32.972 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.792 32.985 10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.537 31.538 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.305 31.636 11.763 1.00 0.00 H new ATOM 759 N ARG A 49 8.914 29.072 12.918 1.00 0.00 N ATOM 760 CA ARG A 49 9.394 27.665 13.090 1.00 0.00 C ATOM 761 C ARG A 49 10.227 27.290 11.875 1.00 0.00 C ATOM 762 O ARG A 49 11.159 26.493 11.926 1.00 0.00 O ATOM 763 CB ARG A 49 8.113 26.855 13.066 1.00 0.00 C ATOM 764 CG ARG A 49 8.338 25.491 13.729 1.00 0.00 C ATOM 765 CD ARG A 49 7.869 24.377 12.789 1.00 0.00 C ATOM 766 NE ARG A 49 8.838 23.262 12.998 1.00 0.00 N ATOM 767 CZ ARG A 49 8.657 22.102 12.413 1.00 0.00 C ATOM 768 NH1 ARG A 49 7.625 21.899 11.635 1.00 0.00 N ATOM 769 NH2 ARG A 49 9.517 21.141 12.609 1.00 0.00 N ATOM 0 H ARG A 49 7.905 29.167 12.806 1.00 0.00 H new ATOM 0 HA ARG A 49 9.991 27.511 13.989 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.323 27.395 13.587 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.780 26.717 12.037 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.394 25.360 13.965 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.792 25.439 14.671 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.851 24.065 13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.869 24.710 11.751 1.00 0.00 H new ATOM 0 HE ARG A 49 9.648 23.403 13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.950 22.647 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.495 20.992 11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.324 21.294 13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.383 20.236 12.157 1.00 0.00 H new ATOM 783 N GLU A 50 9.866 27.887 10.787 1.00 0.00 N ATOM 784 CA GLU A 50 10.528 27.682 9.491 1.00 0.00 C ATOM 785 C GLU A 50 12.041 27.587 9.624 1.00 0.00 C ATOM 786 O GLU A 50 12.656 26.563 9.327 1.00 0.00 O ATOM 787 CB GLU A 50 10.145 28.957 8.761 1.00 0.00 C ATOM 788 CG GLU A 50 10.689 28.896 7.367 1.00 0.00 C ATOM 789 CD GLU A 50 11.632 30.071 7.111 1.00 0.00 C ATOM 790 OE1 GLU A 50 11.214 31.197 7.324 1.00 0.00 O ATOM 791 OE2 GLU A 50 12.753 29.824 6.703 1.00 0.00 O ATOM 0 H GLU A 50 9.090 28.548 10.748 1.00 0.00 H new ATOM 0 HA GLU A 50 10.233 26.756 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.061 29.068 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.544 29.826 9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.220 27.956 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.869 28.916 6.649 1.00 0.00 H new ATOM 798 N ASN A 51 12.639 28.640 10.076 1.00 0.00 N ATOM 799 CA ASN A 51 14.115 28.652 10.257 1.00 0.00 C ATOM 800 C ASN A 51 14.439 28.138 11.646 1.00 0.00 C ATOM 801 O ASN A 51 15.523 28.339 12.162 1.00 0.00 O ATOM 802 CB ASN A 51 14.507 30.126 10.166 1.00 0.00 C ATOM 803 CG ASN A 51 14.296 30.638 8.745 1.00 0.00 C ATOM 804 OD1 ASN A 51 13.475 31.632 8.542 1.00 0.00 O flip ATOM 805 ND2 ASN A 51 14.893 30.128 7.799 1.00 0.00 N flip ATOM 0 H ASN A 51 12.167 29.507 10.333 1.00 0.00 H new ATOM 0 HA ASN A 51 14.636 28.036 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.910 30.713 10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.551 30.251 10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.534 29.351 7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.747 30.482 6.853 1.00 0.00 H new ATOM 812 N VAL A 52 13.505 27.489 12.258 1.00 0.00 N ATOM 813 CA VAL A 52 13.724 26.973 13.629 1.00 0.00 C ATOM 814 C VAL A 52 13.703 25.437 13.649 1.00 0.00 C ATOM 815 O VAL A 52 12.722 24.807 13.259 1.00 0.00 O ATOM 816 CB VAL A 52 12.541 27.549 14.413 1.00 0.00 C ATOM 817 CG1 VAL A 52 12.147 26.607 15.546 1.00 0.00 C ATOM 818 CG2 VAL A 52 12.924 28.907 15.008 1.00 0.00 C ATOM 0 H VAL A 52 12.585 27.290 11.864 1.00 0.00 H new ATOM 0 HA VAL A 52 14.691 27.258 14.044 1.00 0.00 H new ATOM 0 HB VAL A 52 11.699 27.667 13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.305 27.030 16.094 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.862 25.640 15.132 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.992 26.478 16.222 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.079 29.312 15.564 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.774 28.784 15.679 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.192 29.594 14.205 1.00 0.00 H new ATOM 828 N SER A 53 14.753 24.830 14.130 1.00 0.00 N ATOM 829 CA SER A 53 14.788 23.346 14.222 1.00 0.00 C ATOM 830 C SER A 53 14.910 22.965 15.690 1.00 0.00 C ATOM 831 O SER A 53 15.013 23.832 16.548 1.00 0.00 O ATOM 832 CB SER A 53 16.022 22.909 13.438 1.00 0.00 C ATOM 833 OG SER A 53 17.090 23.813 13.695 1.00 0.00 O ATOM 0 H SER A 53 15.593 25.303 14.465 1.00 0.00 H new ATOM 0 HA SER A 53 13.894 22.870 13.820 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.310 21.898 13.726 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.799 22.886 12.371 1.00 0.00 H new ATOM 0 HG SER A 53 17.898 23.308 13.926 1.00 0.00 H new ATOM 839 N PHE A 54 14.861 21.705 16.011 1.00 0.00 N ATOM 840 CA PHE A 54 14.932 21.306 17.421 1.00 0.00 C ATOM 841 C PHE A 54 16.087 20.352 17.677 1.00 0.00 C ATOM 842 O PHE A 54 16.499 19.577 16.816 1.00 0.00 O ATOM 843 CB PHE A 54 13.606 20.622 17.654 1.00 0.00 C ATOM 844 CG PHE A 54 12.520 21.621 17.383 1.00 0.00 C ATOM 845 CD1 PHE A 54 12.376 22.730 18.221 1.00 0.00 C ATOM 846 CD2 PHE A 54 11.688 21.463 16.273 1.00 0.00 C ATOM 847 CE1 PHE A 54 11.397 23.685 17.948 1.00 0.00 C ATOM 848 CE2 PHE A 54 10.703 22.415 16.004 1.00 0.00 C ATOM 849 CZ PHE A 54 10.561 23.526 16.841 1.00 0.00 C ATOM 0 H PHE A 54 14.774 20.937 15.345 1.00 0.00 H new ATOM 0 HA PHE A 54 15.106 22.151 18.088 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.502 19.757 16.998 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.540 20.255 18.678 1.00 0.00 H new ATOM 0 HD1 PHE A 54 13.022 22.847 19.079 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.806 20.607 15.625 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.286 24.545 18.591 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.052 22.294 15.151 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.801 24.264 16.630 1.00 0.00 H new ATOM 859 N TYR A 55 16.602 20.409 18.859 1.00 0.00 N ATOM 860 CA TYR A 55 17.733 19.526 19.241 1.00 0.00 C ATOM 861 C TYR A 55 17.435 18.874 20.579 1.00 0.00 C ATOM 862 O TYR A 55 16.696 19.419 21.390 1.00 0.00 O ATOM 863 CB TYR A 55 18.929 20.464 19.383 1.00 0.00 C ATOM 864 CG TYR A 55 19.396 20.880 18.014 1.00 0.00 C ATOM 865 CD1 TYR A 55 19.713 19.901 17.077 1.00 0.00 C ATOM 866 CD2 TYR A 55 19.512 22.235 17.683 1.00 0.00 C ATOM 867 CE1 TYR A 55 20.148 20.265 15.802 1.00 0.00 C ATOM 868 CE2 TYR A 55 19.947 22.602 16.407 1.00 0.00 C ATOM 869 CZ TYR A 55 20.266 21.618 15.465 1.00 0.00 C ATOM 870 OH TYR A 55 20.696 21.982 14.205 1.00 0.00 O ATOM 0 H TYR A 55 16.285 21.040 19.595 1.00 0.00 H new ATOM 0 HA TYR A 55 17.910 18.735 18.513 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.651 21.341 19.968 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.736 19.965 19.920 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.622 18.857 17.337 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.266 22.994 18.411 1.00 0.00 H new ATOM 0 HE1 TYR A 55 20.393 19.504 15.076 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.037 23.646 16.148 1.00 0.00 H new ATOM 0 HH TYR A 55 20.078 22.642 13.826 1.00 0.00 H new ATOM 880 N ALA A 56 18.012 17.739 20.847 1.00 0.00 N ATOM 881 CA ALA A 56 17.768 17.100 22.165 1.00 0.00 C ATOM 882 C ALA A 56 18.423 17.971 23.228 1.00 0.00 C ATOM 883 O ALA A 56 17.873 18.194 24.305 1.00 0.00 O ATOM 884 CB ALA A 56 18.437 15.733 22.093 1.00 0.00 C ATOM 0 H ALA A 56 18.635 17.231 20.219 1.00 0.00 H new ATOM 0 HA ALA A 56 16.711 16.992 22.407 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.294 15.208 23.037 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.993 15.153 21.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.503 15.859 21.906 1.00 0.00 H new ATOM 890 N ASN A 57 19.588 18.485 22.933 1.00 0.00 N ATOM 891 CA ASN A 57 20.279 19.356 23.897 1.00 0.00 C ATOM 892 C ASN A 57 20.934 20.528 23.186 1.00 0.00 C ATOM 893 O ASN A 57 21.091 20.557 21.958 1.00 0.00 O ATOM 894 CB ASN A 57 21.363 18.504 24.523 1.00 0.00 C ATOM 895 CG ASN A 57 22.250 17.927 23.432 1.00 0.00 C ATOM 896 OD1 ASN A 57 23.274 18.514 23.094 1.00 0.00 O ATOM 897 ND2 ASN A 57 21.909 16.812 22.852 1.00 0.00 N ATOM 0 H ASN A 57 20.085 18.331 22.056 1.00 0.00 H new ATOM 0 HA ASN A 57 19.578 19.753 24.631 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.959 19.103 25.211 1.00 0.00 H new ATOM 0 HB3 ASN A 57 20.916 17.699 25.106 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.494 16.422 22.113 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.057 16.329 23.137 1.00 0.00 H new ATOM 904 N ALA A 58 21.343 21.479 23.950 1.00 0.00 N ATOM 905 CA ALA A 58 22.018 22.655 23.376 1.00 0.00 C ATOM 906 C ALA A 58 23.349 22.246 22.754 1.00 0.00 C ATOM 907 O ALA A 58 23.850 22.926 21.877 1.00 0.00 O ATOM 908 CB ALA A 58 22.249 23.591 24.557 1.00 0.00 C ATOM 0 H ALA A 58 21.238 21.494 24.964 1.00 0.00 H new ATOM 0 HA ALA A 58 21.429 23.126 22.589 1.00 0.00 H new ATOM 0 HB1 ALA A 58 22.750 24.495 24.212 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.291 23.855 25.005 1.00 0.00 H new ATOM 0 HB3 ALA A 58 22.871 23.092 25.300 1.00 0.00 H new ATOM 914 N SER A 59 23.937 21.149 23.171 1.00 0.00 N ATOM 915 CA SER A 59 25.240 20.755 22.559 1.00 0.00 C ATOM 916 C SER A 59 24.997 20.287 21.131 1.00 0.00 C ATOM 917 O SER A 59 25.775 20.574 20.225 1.00 0.00 O ATOM 918 CB SER A 59 25.795 19.628 23.431 1.00 0.00 C ATOM 919 OG SER A 59 27.197 19.516 23.217 1.00 0.00 O ATOM 0 H SER A 59 23.579 20.524 23.893 1.00 0.00 H new ATOM 0 HA SER A 59 25.949 21.581 22.514 1.00 0.00 H new ATOM 0 HB2 SER A 59 25.591 19.832 24.482 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.302 18.687 23.187 1.00 0.00 H new ATOM 0 HG SER A 59 27.557 18.796 23.776 1.00 0.00 H new ATOM 925 N GLU A 60 23.907 19.609 20.902 1.00 0.00 N ATOM 926 CA GLU A 60 23.592 19.175 19.522 1.00 0.00 C ATOM 927 C GLU A 60 23.431 20.439 18.687 1.00 0.00 C ATOM 928 O GLU A 60 24.052 20.619 17.631 1.00 0.00 O ATOM 929 CB GLU A 60 22.275 18.408 19.635 1.00 0.00 C ATOM 930 CG GLU A 60 21.933 17.781 18.285 1.00 0.00 C ATOM 931 CD GLU A 60 23.069 16.858 17.837 1.00 0.00 C ATOM 932 OE1 GLU A 60 23.655 16.213 18.692 1.00 0.00 O ATOM 933 OE2 GLU A 60 23.334 16.812 16.646 1.00 0.00 O ATOM 0 H GLU A 60 23.225 19.340 21.611 1.00 0.00 H new ATOM 0 HA GLU A 60 24.354 18.548 19.060 1.00 0.00 H new ATOM 0 HB2 GLU A 60 22.357 17.633 20.397 1.00 0.00 H new ATOM 0 HB3 GLU A 60 21.476 19.080 19.949 1.00 0.00 H new ATOM 0 HG2 GLU A 60 21.003 17.217 18.361 1.00 0.00 H new ATOM 0 HG3 GLU A 60 21.772 18.562 17.542 1.00 0.00 H new ATOM 940 N ALA A 61 22.649 21.353 19.184 1.00 0.00 N ATOM 941 CA ALA A 61 22.480 22.647 18.474 1.00 0.00 C ATOM 942 C ALA A 61 23.840 23.307 18.355 1.00 0.00 C ATOM 943 O ALA A 61 24.223 23.831 17.311 1.00 0.00 O ATOM 944 CB ALA A 61 21.601 23.472 19.389 1.00 0.00 C ATOM 0 H ALA A 61 22.120 21.260 20.051 1.00 0.00 H new ATOM 0 HA ALA A 61 22.053 22.538 17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 61 21.424 24.449 18.940 1.00 0.00 H new ATOM 0 HB2 ALA A 61 20.649 22.962 19.535 1.00 0.00 H new ATOM 0 HB3 ALA A 61 22.096 23.599 20.352 1.00 0.00 H new ATOM 950 N LEU A 62 24.584 23.261 19.421 1.00 0.00 N ATOM 951 CA LEU A 62 25.938 23.845 19.415 1.00 0.00 C ATOM 952 C LEU A 62 26.763 23.118 18.351 1.00 0.00 C ATOM 953 O LEU A 62 27.679 23.678 17.751 1.00 0.00 O ATOM 954 CB LEU A 62 26.465 23.563 20.827 1.00 0.00 C ATOM 955 CG LEU A 62 25.835 24.520 21.851 1.00 0.00 C ATOM 956 CD1 LEU A 62 26.171 24.043 23.264 1.00 0.00 C ATOM 957 CD2 LEU A 62 26.361 25.946 21.667 1.00 0.00 C ATOM 0 H LEU A 62 24.302 22.837 20.305 1.00 0.00 H new ATOM 0 HA LEU A 62 25.974 24.910 19.183 1.00 0.00 H new ATOM 0 HB2 LEU A 62 26.243 22.532 21.103 1.00 0.00 H new ATOM 0 HB3 LEU A 62 27.550 23.671 20.843 1.00 0.00 H new ATOM 0 HG LEU A 62 24.756 24.524 21.698 1.00 0.00 H new ATOM 0 HD11 LEU A 62 25.725 24.720 23.992 1.00 0.00 H new ATOM 0 HD12 LEU A 62 25.775 23.038 23.413 1.00 0.00 H new ATOM 0 HD13 LEU A 62 27.253 24.030 23.396 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.899 26.602 22.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 27.443 25.955 21.801 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.116 26.298 20.665 1.00 0.00 H new ATOM 969 N ALA A 63 26.430 21.876 18.096 1.00 0.00 N ATOM 970 CA ALA A 63 27.154 21.100 17.068 1.00 0.00 C ATOM 971 C ALA A 63 26.673 21.507 15.671 1.00 0.00 C ATOM 972 O ALA A 63 27.351 21.272 14.673 1.00 0.00 O ATOM 973 CB ALA A 63 26.818 19.633 17.353 1.00 0.00 C ATOM 0 H ALA A 63 25.679 21.371 18.566 1.00 0.00 H new ATOM 0 HA ALA A 63 28.229 21.275 17.099 1.00 0.00 H new ATOM 0 HB1 ALA A 63 27.323 18.996 16.626 1.00 0.00 H new ATOM 0 HB2 ALA A 63 27.151 19.372 18.357 1.00 0.00 H new ATOM 0 HB3 ALA A 63 25.741 19.485 17.278 1.00 0.00 H new ATOM 979 N ALA A 64 25.520 22.128 15.581 1.00 0.00 N ATOM 980 CA ALA A 64 25.013 22.562 14.236 1.00 0.00 C ATOM 981 C ALA A 64 25.743 23.814 13.773 1.00 0.00 C ATOM 982 O ALA A 64 25.495 24.350 12.695 1.00 0.00 O ATOM 983 CB ALA A 64 23.514 22.843 14.394 1.00 0.00 C ATOM 0 H ALA A 64 24.913 22.352 16.370 1.00 0.00 H new ATOM 0 HA ALA A 64 25.186 21.789 13.487 1.00 0.00 H new ATOM 0 HB1 ALA A 64 23.101 23.163 13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 64 23.007 21.936 14.723 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.367 23.630 15.134 1.00 0.00 H new ATOM 989 N GLY A 65 26.638 24.270 14.574 1.00 0.00 N ATOM 990 CA GLY A 65 27.425 25.486 14.226 1.00 0.00 C ATOM 991 C GLY A 65 26.616 26.741 14.562 1.00 0.00 C ATOM 992 O GLY A 65 26.688 27.748 13.861 1.00 0.00 O ATOM 0 H GLY A 65 26.871 23.853 15.475 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.366 25.491 14.776 1.00 0.00 H new ATOM 0 HA3 GLY A 65 27.676 25.477 13.165 1.00 0.00 H new ATOM 996 N PHE A 66 25.857 26.706 15.624 1.00 0.00 N ATOM 997 CA PHE A 66 25.055 27.905 16.005 1.00 0.00 C ATOM 998 C PHE A 66 25.616 28.593 17.241 1.00 0.00 C ATOM 999 O PHE A 66 26.365 28.013 18.024 1.00 0.00 O ATOM 1000 CB PHE A 66 23.643 27.393 16.304 1.00 0.00 C ATOM 1001 CG PHE A 66 22.954 26.981 15.028 1.00 0.00 C ATOM 1002 CD1 PHE A 66 22.958 27.850 13.931 1.00 0.00 C ATOM 1003 CD2 PHE A 66 22.280 25.757 14.951 1.00 0.00 C ATOM 1004 CE1 PHE A 66 22.297 27.494 12.755 1.00 0.00 C ATOM 1005 CE2 PHE A 66 21.611 25.405 13.774 1.00 0.00 C ATOM 1006 CZ PHE A 66 21.621 26.275 12.677 1.00 0.00 C ATOM 0 H PHE A 66 25.757 25.901 16.243 1.00 0.00 H new ATOM 0 HA PHE A 66 25.072 28.639 15.200 1.00 0.00 H new ATOM 0 HB2 PHE A 66 23.693 26.546 16.988 1.00 0.00 H new ATOM 0 HB3 PHE A 66 23.065 28.171 16.803 1.00 0.00 H new ATOM 0 HD1 PHE A 66 23.473 28.797 13.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 22.276 25.086 15.798 1.00 0.00 H new ATOM 0 HE1 PHE A 66 22.308 28.161 11.906 1.00 0.00 H new ATOM 0 HE2 PHE A 66 21.087 24.463 13.711 1.00 0.00 H new ATOM 0 HZ PHE A 66 21.105 26.002 11.768 1.00 0.00 H new ATOM 1016 N ARG A 67 25.222 29.817 17.441 1.00 0.00 N ATOM 1017 CA ARG A 67 25.670 30.566 18.637 1.00 0.00 C ATOM 1018 C ARG A 67 24.535 30.501 19.656 1.00 0.00 C ATOM 1019 O ARG A 67 23.465 31.063 19.430 1.00 0.00 O ATOM 1020 CB ARG A 67 25.890 32.004 18.162 1.00 0.00 C ATOM 1021 CG ARG A 67 27.080 32.055 17.198 1.00 0.00 C ATOM 1022 CD ARG A 67 26.652 32.724 15.887 1.00 0.00 C ATOM 1023 NE ARG A 67 27.714 33.732 15.599 1.00 0.00 N ATOM 1024 CZ ARG A 67 27.533 34.649 14.679 1.00 0.00 C ATOM 1025 NH1 ARG A 67 26.418 34.699 13.995 1.00 0.00 N ATOM 1026 NH2 ARG A 67 28.474 35.521 14.442 1.00 0.00 N ATOM 0 H ARG A 67 24.601 30.334 16.818 1.00 0.00 H new ATOM 0 HA ARG A 67 26.579 30.172 19.091 1.00 0.00 H new ATOM 0 HB2 ARG A 67 24.993 32.375 17.667 1.00 0.00 H new ATOM 0 HB3 ARG A 67 26.074 32.655 19.017 1.00 0.00 H new ATOM 0 HG2 ARG A 67 27.903 32.610 17.649 1.00 0.00 H new ATOM 0 HG3 ARG A 67 27.445 31.047 17.001 1.00 0.00 H new ATOM 0 HD2 ARG A 67 26.572 31.995 15.081 1.00 0.00 H new ATOM 0 HD3 ARG A 67 25.676 33.198 15.987 1.00 0.00 H new ATOM 0 HE ARG A 67 28.589 33.708 16.123 1.00 0.00 H new ATOM 0 HH11 ARG A 67 25.678 34.020 14.175 1.00 0.00 H new ATOM 0 HH12 ARG A 67 26.289 35.417 13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 67 29.345 35.487 14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 67 28.338 36.236 13.728 1.00 0.00 H new ATOM 1040 N PRO A 68 24.767 29.798 20.730 1.00 0.00 N ATOM 1041 CA PRO A 68 23.713 29.642 21.756 1.00 0.00 C ATOM 1042 C PRO A 68 23.321 31.001 22.339 1.00 0.00 C ATOM 1043 O PRO A 68 24.164 31.849 22.622 1.00 0.00 O ATOM 1044 CB PRO A 68 24.351 28.706 22.785 1.00 0.00 C ATOM 1045 CG PRO A 68 25.823 28.855 22.577 1.00 0.00 C ATOM 1046 CD PRO A 68 26.008 29.108 21.106 1.00 0.00 C ATOM 0 HA PRO A 68 22.779 29.233 21.371 1.00 0.00 H new ATOM 0 HB2 PRO A 68 24.065 28.981 23.800 1.00 0.00 H new ATOM 0 HB3 PRO A 68 24.033 27.675 22.633 1.00 0.00 H new ATOM 0 HG2 PRO A 68 26.219 29.681 23.168 1.00 0.00 H new ATOM 0 HG3 PRO A 68 26.354 27.956 22.889 1.00 0.00 H new ATOM 0 HD2 PRO A 68 26.887 29.722 20.910 1.00 0.00 H new ATOM 0 HD3 PRO A 68 26.138 28.179 20.550 1.00 0.00 H new ATOM 1054 N CYS A 69 22.042 31.218 22.503 1.00 0.00 N ATOM 1055 CA CYS A 69 21.554 32.512 23.043 1.00 0.00 C ATOM 1056 C CYS A 69 22.109 32.696 24.465 1.00 0.00 C ATOM 1057 O CYS A 69 21.771 31.952 25.384 1.00 0.00 O ATOM 1058 CB CYS A 69 20.030 32.361 22.997 1.00 0.00 C ATOM 1059 SG CYS A 69 19.164 33.543 24.081 1.00 0.00 S ATOM 0 H CYS A 69 21.310 30.543 22.282 1.00 0.00 H new ATOM 0 HA CYS A 69 21.871 33.397 22.491 1.00 0.00 H new ATOM 0 HB2 CYS A 69 19.688 32.499 21.971 1.00 0.00 H new ATOM 0 HB3 CYS A 69 19.762 31.345 23.289 1.00 0.00 H new ATOM 0 HG CYS A 69 17.881 33.357 23.988 1.00 0.00 H new ATOM 1064 N LYS A 70 22.977 33.657 24.649 1.00 0.00 N ATOM 1065 CA LYS A 70 23.604 33.894 25.992 1.00 0.00 C ATOM 1066 C LYS A 70 22.556 34.050 27.097 1.00 0.00 C ATOM 1067 O LYS A 70 22.893 34.201 28.266 1.00 0.00 O ATOM 1068 CB LYS A 70 24.405 35.188 25.832 1.00 0.00 C ATOM 1069 CG LYS A 70 25.592 35.181 26.803 1.00 0.00 C ATOM 1070 CD LYS A 70 26.903 35.269 26.018 1.00 0.00 C ATOM 1071 CE LYS A 70 28.077 34.946 26.946 1.00 0.00 C ATOM 1072 NZ LYS A 70 29.294 35.045 26.089 1.00 0.00 N ATOM 0 H LYS A 70 23.285 34.298 23.918 1.00 0.00 H new ATOM 0 HA LYS A 70 24.224 33.048 26.289 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.762 35.282 24.806 1.00 0.00 H new ATOM 0 HB3 LYS A 70 23.767 36.049 26.028 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.514 36.021 27.494 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.577 34.272 27.404 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.885 34.572 25.181 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.022 36.268 25.598 1.00 0.00 H new ATOM 0 HE2 LYS A 70 28.124 35.647 27.779 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.977 33.949 27.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 30.138 34.836 26.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.225 34.361 25.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 29.368 36.007 25.701 1.00 0.00 H new ATOM 1086 N ARG A 71 21.304 34.021 26.761 1.00 0.00 N ATOM 1087 CA ARG A 71 20.252 34.161 27.799 1.00 0.00 C ATOM 1088 C ARG A 71 19.716 32.770 28.126 1.00 0.00 C ATOM 1089 O ARG A 71 19.424 32.429 29.271 1.00 0.00 O ATOM 1090 CB ARG A 71 19.174 34.989 27.119 1.00 0.00 C ATOM 1091 CG ARG A 71 18.447 35.848 28.157 1.00 0.00 C ATOM 1092 CD ARG A 71 19.224 37.153 28.371 1.00 0.00 C ATOM 1093 NE ARG A 71 18.277 38.063 29.083 1.00 0.00 N ATOM 1094 CZ ARG A 71 18.722 39.036 29.843 1.00 0.00 C ATOM 1095 NH1 ARG A 71 20.006 39.236 30.000 1.00 0.00 N ATOM 1096 NH2 ARG A 71 17.871 39.814 30.454 1.00 0.00 N ATOM 0 H ARG A 71 20.960 33.906 25.808 1.00 0.00 H new ATOM 0 HA ARG A 71 20.601 34.619 28.725 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.620 35.626 26.355 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.464 34.334 26.614 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.434 36.066 27.820 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.360 35.305 29.098 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.124 36.982 28.961 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.542 37.582 27.421 1.00 0.00 H new ATOM 0 HE ARG A 71 17.272 37.926 28.977 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.678 38.631 29.528 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.335 39.997 30.594 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.869 39.663 30.339 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.208 40.573 31.047 1.00 0.00 H new ATOM 1110 N CYS A 72 19.584 31.971 27.108 1.00 0.00 N ATOM 1111 CA CYS A 72 19.063 30.574 27.276 1.00 0.00 C ATOM 1112 C CYS A 72 20.203 29.581 27.499 1.00 0.00 C ATOM 1113 O CYS A 72 19.985 28.442 27.906 1.00 0.00 O ATOM 1114 CB CYS A 72 18.402 30.237 25.942 1.00 0.00 C ATOM 1115 SG CYS A 72 16.774 30.983 25.847 1.00 0.00 S ATOM 0 H CYS A 72 19.817 32.224 26.148 1.00 0.00 H new ATOM 0 HA CYS A 72 18.391 30.512 28.132 1.00 0.00 H new ATOM 0 HB2 CYS A 72 19.022 30.596 25.120 1.00 0.00 H new ATOM 0 HB3 CYS A 72 18.321 29.156 25.832 1.00 0.00 H new ATOM 0 HG CYS A 72 16.711 31.757 24.804 1.00 0.00 H new ATOM 1120 N GLN A 73 21.404 29.968 27.189 1.00 0.00 N ATOM 1121 CA GLN A 73 22.547 29.027 27.327 1.00 0.00 C ATOM 1122 C GLN A 73 23.079 28.955 28.776 1.00 0.00 C ATOM 1123 O GLN A 73 23.292 27.860 29.291 1.00 0.00 O ATOM 1124 CB GLN A 73 23.592 29.572 26.343 1.00 0.00 C ATOM 1125 CG GLN A 73 24.977 28.988 26.648 1.00 0.00 C ATOM 1126 CD GLN A 73 24.944 27.468 26.469 1.00 0.00 C ATOM 1127 OE1 GLN A 73 24.822 26.972 25.350 1.00 0.00 O ATOM 1128 NE2 GLN A 73 25.049 26.697 27.517 1.00 0.00 N ATOM 0 H GLN A 73 21.646 30.897 26.845 1.00 0.00 H new ATOM 0 HA GLN A 73 22.267 27.998 27.104 1.00 0.00 H new ATOM 0 HB2 GLN A 73 23.303 29.322 25.322 1.00 0.00 H new ATOM 0 HB3 GLN A 73 23.628 30.660 26.407 1.00 0.00 H new ATOM 0 HG2 GLN A 73 25.722 29.426 25.984 1.00 0.00 H new ATOM 0 HG3 GLN A 73 25.272 29.238 27.667 1.00 0.00 H new ATOM 0 HE21 GLN A 73 25.150 27.109 28.445 1.00 0.00 H new ATOM 0 HE22 GLN A 73 25.030 25.683 27.408 1.00 0.00 H new ATOM 1137 N PRO A 74 23.298 30.090 29.397 1.00 0.00 N ATOM 1138 CA PRO A 74 23.829 30.090 30.787 1.00 0.00 C ATOM 1139 C PRO A 74 22.754 29.727 31.824 1.00 0.00 C ATOM 1140 O PRO A 74 23.072 29.234 32.905 1.00 0.00 O ATOM 1141 CB PRO A 74 24.301 31.523 30.989 1.00 0.00 C ATOM 1142 CG PRO A 74 23.492 32.343 30.039 1.00 0.00 C ATOM 1143 CD PRO A 74 23.090 31.451 28.889 1.00 0.00 C ATOM 0 HA PRO A 74 24.615 29.347 30.921 1.00 0.00 H new ATOM 0 HB2 PRO A 74 24.146 31.847 32.018 1.00 0.00 H new ATOM 0 HB3 PRO A 74 25.367 31.619 30.782 1.00 0.00 H new ATOM 0 HG2 PRO A 74 22.610 32.746 30.537 1.00 0.00 H new ATOM 0 HG3 PRO A 74 24.071 33.193 29.679 1.00 0.00 H new ATOM 0 HD2 PRO A 74 22.051 31.615 28.603 1.00 0.00 H new ATOM 0 HD3 PRO A 74 23.698 31.643 28.005 1.00 0.00 H new ATOM 1151 N ASP A 75 21.498 29.964 31.542 1.00 0.00 N ATOM 1152 CA ASP A 75 20.444 29.629 32.549 1.00 0.00 C ATOM 1153 C ASP A 75 20.212 28.111 32.600 1.00 0.00 C ATOM 1154 O ASP A 75 20.843 27.348 31.869 1.00 0.00 O ATOM 1155 CB ASP A 75 19.188 30.387 32.098 1.00 0.00 C ATOM 1156 CG ASP A 75 18.695 29.853 30.753 1.00 0.00 C ATOM 1157 OD1 ASP A 75 19.366 29.005 30.188 1.00 0.00 O ATOM 1158 OD2 ASP A 75 17.639 30.284 30.318 1.00 0.00 O ATOM 0 H ASP A 75 21.159 30.370 30.670 1.00 0.00 H new ATOM 0 HA ASP A 75 20.730 29.921 33.559 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.404 30.282 32.847 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.408 31.451 32.015 1.00 0.00 H new ATOM 1163 N LYS A 76 19.343 27.655 33.470 1.00 0.00 N ATOM 1164 CA LYS A 76 19.099 26.181 33.594 1.00 0.00 C ATOM 1165 C LYS A 76 17.718 25.774 33.048 1.00 0.00 C ATOM 1166 O LYS A 76 16.720 26.464 33.243 1.00 0.00 O ATOM 1167 CB LYS A 76 19.176 25.907 35.095 1.00 0.00 C ATOM 1168 CG LYS A 76 20.618 25.568 35.486 1.00 0.00 C ATOM 1169 CD LYS A 76 21.462 26.846 35.520 1.00 0.00 C ATOM 1170 CE LYS A 76 20.919 27.796 36.591 1.00 0.00 C ATOM 1171 NZ LYS A 76 22.056 28.703 36.911 1.00 0.00 N ATOM 0 H LYS A 76 18.792 28.238 34.100 1.00 0.00 H new ATOM 0 HA LYS A 76 19.824 25.609 33.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.834 26.780 35.652 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.514 25.082 35.358 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.635 25.084 36.463 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.041 24.861 34.772 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.503 26.600 35.732 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.442 27.333 34.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.059 28.355 36.223 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.590 27.249 37.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.762 29.385 37.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.858 28.143 37.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.343 29.215 36.053 1.00 0.00 H new ATOM 1185 N ALA A 77 17.655 24.654 32.368 1.00 0.00 N ATOM 1186 CA ALA A 77 16.358 24.162 31.796 1.00 0.00 C ATOM 1187 C ALA A 77 15.749 23.101 32.736 1.00 0.00 C ATOM 1188 O ALA A 77 15.722 23.294 33.941 1.00 0.00 O ATOM 1189 CB ALA A 77 16.769 23.555 30.450 1.00 0.00 C ATOM 0 H ALA A 77 18.457 24.051 32.182 1.00 0.00 H new ATOM 0 HA ALA A 77 15.601 24.938 31.681 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.887 23.162 29.944 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.231 24.323 29.830 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.482 22.747 30.618 1.00 0.00 H new ATOM 1195 N ASN A 78 15.295 21.963 32.239 1.00 0.00 N ATOM 1196 CA ASN A 78 14.758 20.927 33.176 1.00 0.00 C ATOM 1197 C ASN A 78 15.832 20.530 34.194 1.00 0.00 C ATOM 1198 O ASN A 78 15.510 20.244 35.345 1.00 0.00 O ATOM 1199 CB ASN A 78 14.332 19.718 32.330 1.00 0.00 C ATOM 1200 CG ASN A 78 12.945 19.942 31.698 1.00 0.00 C ATOM 1201 OD1 ASN A 78 12.283 21.055 31.912 1.00 0.00 O flip ATOM 1202 ND2 ASN A 78 12.446 19.072 30.988 1.00 0.00 N flip ATOM 0 H ASN A 78 15.275 21.717 31.249 1.00 0.00 H new ATOM 0 HA ASN A 78 13.905 21.313 33.735 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.068 19.542 31.545 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.311 18.824 32.953 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.951 18.203 30.815 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.526 19.219 30.572 1.00 0.00 H new ATOM 1209 N PRO A 79 17.082 20.597 33.791 1.00 0.00 N ATOM 1210 CA PRO A 79 18.191 20.321 34.745 1.00 0.00 C ATOM 1211 C PRO A 79 18.089 21.340 35.886 1.00 0.00 C ATOM 1212 O PRO A 79 18.643 21.151 36.966 1.00 0.00 O ATOM 1213 CB PRO A 79 19.435 20.531 33.867 1.00 0.00 C ATOM 1214 CG PRO A 79 18.957 21.436 32.795 1.00 0.00 C ATOM 1215 CD PRO A 79 17.603 20.915 32.462 1.00 0.00 C ATOM 0 HA PRO A 79 18.193 19.336 35.212 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.254 20.976 34.432 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.803 19.589 33.461 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.914 22.471 33.136 1.00 0.00 H new ATOM 0 HG3 PRO A 79 19.618 21.413 31.929 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.992 21.657 31.948 1.00 0.00 H new ATOM 0 HD3 PRO A 79 17.648 20.037 31.817 1.00 0.00 H new ATOM 1223 N ARG A 80 17.352 22.413 35.654 1.00 0.00 N ATOM 1224 CA ARG A 80 17.155 23.446 36.695 1.00 0.00 C ATOM 1225 C ARG A 80 16.881 22.771 38.036 1.00 0.00 C ATOM 1226 O ARG A 80 17.698 22.802 38.954 1.00 0.00 O ATOM 1227 CB ARG A 80 15.926 24.249 36.273 1.00 0.00 C ATOM 1228 CG ARG A 80 15.622 25.323 37.323 1.00 0.00 C ATOM 1229 CD ARG A 80 14.155 25.221 37.751 1.00 0.00 C ATOM 1230 NE ARG A 80 13.439 26.227 36.915 1.00 0.00 N ATOM 1231 CZ ARG A 80 13.602 27.511 37.130 1.00 0.00 C ATOM 1232 NH1 ARG A 80 14.396 27.935 38.080 1.00 0.00 N ATOM 1233 NH2 ARG A 80 12.966 28.374 36.387 1.00 0.00 N ATOM 0 H ARG A 80 16.879 22.604 34.770 1.00 0.00 H new ATOM 0 HA ARG A 80 18.035 24.081 36.799 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.100 24.715 35.303 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.069 23.586 36.159 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.273 25.196 38.188 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.824 26.313 36.915 1.00 0.00 H new ATOM 0 HD2 ARG A 80 13.764 24.218 37.583 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.038 25.435 38.813 1.00 0.00 H new ATOM 0 HE ARG A 80 12.817 25.914 36.169 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.897 27.265 38.663 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.514 28.936 38.237 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.347 28.049 35.644 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.088 29.374 36.549 1.00 0.00 H new ATOM 1247 N GLN A 81 15.734 22.166 38.163 1.00 0.00 N ATOM 1248 CA GLN A 81 15.359 21.481 39.440 1.00 0.00 C ATOM 1249 C GLN A 81 16.484 20.557 39.961 1.00 0.00 C ATOM 1250 O GLN A 81 16.682 20.421 41.169 1.00 0.00 O ATOM 1251 CB GLN A 81 14.119 20.658 39.089 1.00 0.00 C ATOM 1252 CG GLN A 81 12.892 21.572 39.066 1.00 0.00 C ATOM 1253 CD GLN A 81 11.784 20.918 38.238 1.00 0.00 C ATOM 1254 OE1 GLN A 81 11.314 19.831 38.568 1.00 0.00 O ATOM 1255 NE2 GLN A 81 11.336 21.526 37.174 1.00 0.00 N ATOM 0 H GLN A 81 15.028 22.114 37.429 1.00 0.00 H new ATOM 0 HA GLN A 81 15.181 22.204 40.236 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.249 20.181 38.118 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.979 19.861 39.820 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.542 21.754 40.082 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.155 22.541 38.641 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.726 22.428 36.900 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.596 21.099 36.616 1.00 0.00 H new ATOM 1264 N HIS A 82 17.220 19.916 39.082 1.00 0.00 N ATOM 1265 CA HIS A 82 18.316 18.999 39.539 1.00 0.00 C ATOM 1266 C HIS A 82 19.460 19.819 40.159 1.00 0.00 C ATOM 1267 O HIS A 82 20.001 19.484 41.224 1.00 0.00 O ATOM 1268 CB HIS A 82 18.792 18.284 38.274 1.00 0.00 C ATOM 1269 CG HIS A 82 17.644 17.529 37.661 1.00 0.00 C ATOM 1270 ND1 HIS A 82 17.625 17.171 36.322 1.00 0.00 N ATOM 1271 CD2 HIS A 82 16.467 17.059 38.190 1.00 0.00 C ATOM 1272 CE1 HIS A 82 16.472 16.517 36.093 1.00 0.00 C ATOM 1273 NE2 HIS A 82 15.729 16.421 37.198 1.00 0.00 N ATOM 0 H HIS A 82 17.110 19.988 38.070 1.00 0.00 H new ATOM 0 HA HIS A 82 17.978 18.294 40.298 1.00 0.00 H new ATOM 0 HB2 HIS A 82 19.187 19.008 37.561 1.00 0.00 H new ATOM 0 HB3 HIS A 82 19.604 17.598 38.515 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.161 17.168 39.220 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.183 16.118 35.132 1.00 0.00 H new ATOM 0 HE2 HIS A 82 14.816 15.976 37.294 1.00 0.00 H new ATOM 1281 N ARG A 83 19.823 20.903 39.534 1.00 0.00 N ATOM 1282 CA ARG A 83 20.910 21.756 40.090 1.00 0.00 C ATOM 1283 C ARG A 83 20.421 22.388 41.391 1.00 0.00 C ATOM 1284 O ARG A 83 21.206 22.720 42.295 1.00 0.00 O ATOM 1285 CB ARG A 83 21.152 22.830 39.028 1.00 0.00 C ATOM 1286 CG ARG A 83 22.448 23.585 39.339 1.00 0.00 C ATOM 1287 CD ARG A 83 23.497 23.279 38.265 1.00 0.00 C ATOM 1288 NE ARG A 83 23.595 21.789 38.229 1.00 0.00 N ATOM 1289 CZ ARG A 83 24.205 21.134 39.187 1.00 0.00 C ATOM 1290 NH1 ARG A 83 24.743 21.769 40.196 1.00 0.00 N ATOM 1291 NH2 ARG A 83 24.275 19.831 39.133 1.00 0.00 N ATOM 0 H ARG A 83 19.414 21.236 38.661 1.00 0.00 H new ATOM 0 HA ARG A 83 21.822 21.201 40.310 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.216 22.371 38.041 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.313 23.525 39.003 1.00 0.00 H new ATOM 0 HG2 ARG A 83 22.255 24.657 39.377 1.00 0.00 H new ATOM 0 HG3 ARG A 83 22.823 23.294 40.320 1.00 0.00 H new ATOM 0 HD2 ARG A 83 23.197 23.678 37.296 1.00 0.00 H new ATOM 0 HD3 ARG A 83 24.457 23.731 38.512 1.00 0.00 H new ATOM 0 HE ARG A 83 23.183 21.275 37.450 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.691 22.787 40.244 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.215 21.247 40.934 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.857 19.330 38.349 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.748 19.315 39.875 1.00 0.00 H new ATOM 1305 N LEU A 84 19.130 22.541 41.526 1.00 0.00 N ATOM 1306 CA LEU A 84 18.622 23.125 42.757 1.00 0.00 C ATOM 1307 C LEU A 84 18.635 22.061 43.847 1.00 0.00 C ATOM 1308 O LEU A 84 18.866 22.358 45.023 1.00 0.00 O ATOM 1309 CB LEU A 84 17.228 23.634 42.462 1.00 0.00 C ATOM 1310 CG LEU A 84 17.298 25.150 42.276 1.00 0.00 C ATOM 1311 CD1 LEU A 84 17.952 25.833 43.505 1.00 0.00 C ATOM 1312 CD2 LEU A 84 18.119 25.453 41.029 1.00 0.00 C ATOM 0 H LEU A 84 18.427 22.283 40.833 1.00 0.00 H new ATOM 0 HA LEU A 84 19.234 23.955 43.111 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.833 23.159 41.564 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.552 23.383 43.279 1.00 0.00 H new ATOM 0 HG LEU A 84 16.286 25.540 42.170 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.989 26.911 43.346 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.363 25.618 44.397 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.964 25.451 43.638 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.177 26.532 40.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.124 25.048 41.148 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.644 24.996 40.161 1.00 0.00 H new ATOM 1324 N ASP A 85 18.474 20.814 43.485 1.00 0.00 N ATOM 1325 CA ASP A 85 18.570 19.745 44.518 1.00 0.00 C ATOM 1326 C ASP A 85 19.979 19.816 45.120 1.00 0.00 C ATOM 1327 O ASP A 85 20.189 19.660 46.330 1.00 0.00 O ATOM 1328 CB ASP A 85 18.383 18.437 43.755 1.00 0.00 C ATOM 1329 CG ASP A 85 16.900 18.070 43.719 1.00 0.00 C ATOM 1330 OD1 ASP A 85 16.114 18.901 43.294 1.00 0.00 O ATOM 1331 OD2 ASP A 85 16.573 16.963 44.117 1.00 0.00 O ATOM 0 H ASP A 85 18.283 20.495 42.535 1.00 0.00 H new ATOM 0 HA ASP A 85 17.838 19.838 45.320 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.767 18.539 42.740 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.953 17.641 44.234 1.00 0.00 H new ATOM 1336 N LYS A 86 20.942 20.097 44.283 1.00 0.00 N ATOM 1337 CA LYS A 86 22.354 20.231 44.766 1.00 0.00 C ATOM 1338 C LYS A 86 22.461 21.346 45.834 1.00 0.00 C ATOM 1339 O LYS A 86 23.009 21.141 46.922 1.00 0.00 O ATOM 1340 CB LYS A 86 23.167 20.600 43.525 1.00 0.00 C ATOM 1341 CG LYS A 86 24.658 20.400 43.809 1.00 0.00 C ATOM 1342 CD LYS A 86 25.292 21.737 44.204 1.00 0.00 C ATOM 1343 CE LYS A 86 26.047 22.319 43.005 1.00 0.00 C ATOM 1344 NZ LYS A 86 27.118 23.168 43.600 1.00 0.00 N ATOM 0 H LYS A 86 20.814 20.241 43.281 1.00 0.00 H new ATOM 0 HA LYS A 86 22.713 19.314 45.233 1.00 0.00 H new ATOM 0 HB2 LYS A 86 22.861 19.982 42.681 1.00 0.00 H new ATOM 0 HB3 LYS A 86 22.975 21.636 43.247 1.00 0.00 H new ATOM 0 HG2 LYS A 86 24.791 19.673 44.610 1.00 0.00 H new ATOM 0 HG3 LYS A 86 25.155 19.997 42.927 1.00 0.00 H new ATOM 0 HD2 LYS A 86 24.521 22.433 44.535 1.00 0.00 H new ATOM 0 HD3 LYS A 86 25.974 21.595 45.042 1.00 0.00 H new ATOM 0 HE2 LYS A 86 26.469 21.530 42.383 1.00 0.00 H new ATOM 0 HE3 LYS A 86 25.385 22.907 42.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 27.679 23.602 42.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 26.686 23.915 44.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 27.737 22.580 44.195 1.00 0.00 H new ATOM 1358 N ILE A 87 21.951 22.524 45.551 1.00 0.00 N ATOM 1359 CA ILE A 87 22.035 23.644 46.562 1.00 0.00 C ATOM 1360 C ILE A 87 21.344 23.231 47.890 1.00 0.00 C ATOM 1361 O ILE A 87 21.836 23.517 48.981 1.00 0.00 O ATOM 1362 CB ILE A 87 21.382 24.877 45.916 1.00 0.00 C ATOM 1363 CG1 ILE A 87 21.745 24.945 44.413 1.00 0.00 C ATOM 1364 CG2 ILE A 87 21.922 26.124 46.625 1.00 0.00 C ATOM 1365 CD1 ILE A 87 22.220 26.353 44.026 1.00 0.00 C ATOM 0 H ILE A 87 21.484 22.762 44.676 1.00 0.00 H new ATOM 0 HA ILE A 87 23.068 23.873 46.823 1.00 0.00 H new ATOM 0 HB ILE A 87 20.298 24.817 46.011 1.00 0.00 H new ATOM 0 HG12 ILE A 87 22.527 24.219 44.191 1.00 0.00 H new ATOM 0 HG13 ILE A 87 20.877 24.672 43.813 1.00 0.00 H new ATOM 0 HG21 ILE A 87 21.474 27.015 46.185 1.00 0.00 H new ATOM 0 HG22 ILE A 87 21.672 26.077 47.685 1.00 0.00 H new ATOM 0 HG23 ILE A 87 23.005 26.168 46.510 1.00 0.00 H new ATOM 0 HD11 ILE A 87 22.469 26.374 42.965 1.00 0.00 H new ATOM 0 HD12 ILE A 87 21.426 27.073 44.227 1.00 0.00 H new ATOM 0 HD13 ILE A 87 23.102 26.613 44.611 1.00 0.00 H new ATOM 1377 N THR A 88 20.246 22.518 47.831 1.00 0.00 N ATOM 1378 CA THR A 88 19.597 22.045 49.096 1.00 0.00 C ATOM 1379 C THR A 88 20.666 21.302 49.911 1.00 0.00 C ATOM 1380 O THR A 88 20.861 21.541 51.106 1.00 0.00 O ATOM 1381 CB THR A 88 18.488 21.089 48.648 1.00 0.00 C ATOM 1382 OG1 THR A 88 17.667 21.739 47.686 1.00 0.00 O ATOM 1383 CG2 THR A 88 17.639 20.675 49.852 1.00 0.00 C ATOM 0 H THR A 88 19.773 22.244 46.970 1.00 0.00 H new ATOM 0 HA THR A 88 19.187 22.847 49.710 1.00 0.00 H new ATOM 0 HB THR A 88 18.936 20.199 48.206 1.00 0.00 H new ATOM 0 HG1 THR A 88 16.957 21.129 47.396 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.852 19.995 49.526 1.00 0.00 H new ATOM 0 HG22 THR A 88 18.269 20.175 50.587 1.00 0.00 H new ATOM 0 HG23 THR A 88 17.190 21.560 50.302 1.00 0.00 H new ATOM 1391 N HIS A 89 21.410 20.441 49.256 1.00 0.00 N ATOM 1392 CA HIS A 89 22.518 19.730 49.959 1.00 0.00 C ATOM 1393 C HIS A 89 23.439 20.789 50.579 1.00 0.00 C ATOM 1394 O HIS A 89 23.936 20.639 51.693 1.00 0.00 O ATOM 1395 CB HIS A 89 23.250 18.939 48.874 1.00 0.00 C ATOM 1396 CG HIS A 89 24.003 17.802 49.506 1.00 0.00 C ATOM 1397 ND1 HIS A 89 23.383 16.615 49.867 1.00 0.00 N ATOM 1398 CD2 HIS A 89 25.324 17.655 49.851 1.00 0.00 C ATOM 1399 CE1 HIS A 89 24.323 15.814 50.402 1.00 0.00 C ATOM 1400 NE2 HIS A 89 25.523 16.398 50.415 1.00 0.00 N ATOM 0 H HIS A 89 21.296 20.203 48.271 1.00 0.00 H new ATOM 0 HA HIS A 89 22.174 19.066 50.752 1.00 0.00 H new ATOM 0 HB2 HIS A 89 22.537 18.556 48.144 1.00 0.00 H new ATOM 0 HB3 HIS A 89 23.938 19.591 48.335 1.00 0.00 H new ATOM 0 HD2 HIS A 89 26.092 18.401 49.707 1.00 0.00 H new ATOM 0 HE1 HIS A 89 24.130 14.819 50.776 1.00 0.00 H new ATOM 0 HE2 HIS A 89 26.398 16.007 50.763 1.00 0.00 H new ATOM 1408 N ALA A 90 23.628 21.890 49.880 1.00 0.00 N ATOM 1409 CA ALA A 90 24.463 23.004 50.423 1.00 0.00 C ATOM 1410 C ALA A 90 23.896 23.378 51.777 1.00 0.00 C ATOM 1411 O ALA A 90 24.630 23.655 52.721 1.00 0.00 O ATOM 1412 CB ALA A 90 24.304 24.192 49.441 1.00 0.00 C ATOM 0 H ALA A 90 23.236 22.060 48.954 1.00 0.00 H new ATOM 0 HA ALA A 90 25.513 22.732 50.528 1.00 0.00 H new ATOM 0 HB1 ALA A 90 24.897 25.037 49.793 1.00 0.00 H new ATOM 0 HB2 ALA A 90 24.649 23.894 48.451 1.00 0.00 H new ATOM 0 HB3 ALA A 90 23.255 24.482 49.388 1.00 0.00 H new ATOM 1418 N CYS A 91 22.588 23.360 51.906 1.00 0.00 N ATOM 1419 CA CYS A 91 22.004 23.701 53.230 1.00 0.00 C ATOM 1420 C CYS A 91 22.484 22.673 54.255 1.00 0.00 C ATOM 1421 O CYS A 91 23.005 23.020 55.321 1.00 0.00 O ATOM 1422 CB CYS A 91 20.481 23.617 53.113 1.00 0.00 C ATOM 1423 SG CYS A 91 19.774 23.710 54.788 1.00 0.00 S ATOM 0 H CYS A 91 21.921 23.130 51.169 1.00 0.00 H new ATOM 0 HA CYS A 91 22.306 24.701 53.540 1.00 0.00 H new ATOM 0 HB2 CYS A 91 20.102 24.431 52.495 1.00 0.00 H new ATOM 0 HB3 CYS A 91 20.188 22.686 52.628 1.00 0.00 H new ATOM 0 HG CYS A 91 18.997 24.748 54.874 1.00 0.00 H new ATOM 1429 N ARG A 92 22.328 21.412 53.951 1.00 0.00 N ATOM 1430 CA ARG A 92 22.786 20.355 54.905 1.00 0.00 C ATOM 1431 C ARG A 92 24.207 20.669 55.385 1.00 0.00 C ATOM 1432 O ARG A 92 24.471 20.757 56.574 1.00 0.00 O ATOM 1433 CB ARG A 92 22.767 19.055 54.099 1.00 0.00 C ATOM 1434 CG ARG A 92 23.180 17.886 54.999 1.00 0.00 C ATOM 1435 CD ARG A 92 22.095 16.807 54.968 1.00 0.00 C ATOM 1436 NE ARG A 92 22.195 16.193 53.612 1.00 0.00 N ATOM 1437 CZ ARG A 92 21.566 15.075 53.337 1.00 0.00 C ATOM 1438 NH1 ARG A 92 20.839 14.477 54.244 1.00 0.00 N ATOM 1439 NH2 ARG A 92 21.668 14.555 52.143 1.00 0.00 N ATOM 0 H ARG A 92 21.906 21.067 53.089 1.00 0.00 H new ATOM 0 HA ARG A 92 22.153 20.291 55.790 1.00 0.00 H new ATOM 0 HB2 ARG A 92 21.770 18.881 53.694 1.00 0.00 H new ATOM 0 HB3 ARG A 92 23.447 19.132 53.250 1.00 0.00 H new ATOM 0 HG2 ARG A 92 24.130 17.471 54.661 1.00 0.00 H new ATOM 0 HG3 ARG A 92 23.331 18.236 56.020 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.255 16.064 55.750 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.107 17.237 55.134 1.00 0.00 H new ATOM 0 HE ARG A 92 22.758 16.647 52.892 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.756 14.879 55.178 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.355 13.608 54.018 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.234 15.018 51.432 1.00 0.00 H new ATOM 0 HH22 ARG A 92 21.182 13.686 51.922 1.00 0.00 H new ATOM 1453 N LEU A 93 25.112 20.852 54.468 1.00 0.00 N ATOM 1454 CA LEU A 93 26.528 21.174 54.829 1.00 0.00 C ATOM 1455 C LEU A 93 26.613 22.430 55.717 1.00 0.00 C ATOM 1456 O LEU A 93 27.465 22.517 56.609 1.00 0.00 O ATOM 1457 CB LEU A 93 27.219 21.422 53.485 1.00 0.00 C ATOM 1458 CG LEU A 93 27.753 20.103 52.914 1.00 0.00 C ATOM 1459 CD1 LEU A 93 28.886 19.579 53.799 1.00 0.00 C ATOM 1460 CD2 LEU A 93 26.625 19.066 52.859 1.00 0.00 C ATOM 0 H LEU A 93 24.932 20.792 53.466 1.00 0.00 H new ATOM 0 HA LEU A 93 26.992 20.370 55.401 1.00 0.00 H new ATOM 0 HB2 LEU A 93 26.516 21.872 52.784 1.00 0.00 H new ATOM 0 HB3 LEU A 93 28.038 22.129 53.614 1.00 0.00 H new ATOM 0 HG LEU A 93 28.131 20.278 51.907 1.00 0.00 H new ATOM 0 HD11 LEU A 93 29.263 18.642 53.390 1.00 0.00 H new ATOM 0 HD12 LEU A 93 29.692 20.312 53.830 1.00 0.00 H new ATOM 0 HD13 LEU A 93 28.511 19.410 54.808 1.00 0.00 H new ATOM 0 HD21 LEU A 93 27.010 18.131 52.452 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.240 18.894 53.864 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.822 19.435 52.221 1.00 0.00 H new ATOM 1472 N LEU A 94 25.755 23.401 55.468 1.00 0.00 N ATOM 1473 CA LEU A 94 25.772 24.695 56.232 1.00 0.00 C ATOM 1474 C LEU A 94 25.339 24.461 57.684 1.00 0.00 C ATOM 1475 O LEU A 94 25.498 25.327 58.542 1.00 0.00 O ATOM 1476 CB LEU A 94 24.700 25.569 55.508 1.00 0.00 C ATOM 1477 CG LEU A 94 25.336 26.564 54.516 1.00 0.00 C ATOM 1478 CD1 LEU A 94 24.925 26.204 53.080 1.00 0.00 C ATOM 1479 CD2 LEU A 94 24.822 27.979 54.808 1.00 0.00 C ATOM 0 H LEU A 94 25.030 23.347 54.752 1.00 0.00 H new ATOM 0 HA LEU A 94 26.761 25.153 56.257 1.00 0.00 H new ATOM 0 HB2 LEU A 94 24.004 24.921 54.975 1.00 0.00 H new ATOM 0 HB3 LEU A 94 24.120 26.118 56.249 1.00 0.00 H new ATOM 0 HG LEU A 94 26.420 26.518 54.624 1.00 0.00 H new ATOM 0 HD11 LEU A 94 25.377 26.911 52.384 1.00 0.00 H new ATOM 0 HD12 LEU A 94 25.266 25.195 52.846 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.840 26.250 52.990 1.00 0.00 H new ATOM 0 HD21 LEU A 94 25.272 28.682 54.107 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.738 28.002 54.699 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.091 28.261 55.826 1.00 0.00 H new ATOM 1491 N GLU A 95 24.834 23.297 57.982 1.00 0.00 N ATOM 1492 CA GLU A 95 24.436 22.997 59.391 1.00 0.00 C ATOM 1493 C GLU A 95 24.855 21.570 59.771 1.00 0.00 C ATOM 1494 O GLU A 95 24.706 21.148 60.915 1.00 0.00 O ATOM 1495 CB GLU A 95 22.916 23.131 59.428 1.00 0.00 C ATOM 1496 CG GLU A 95 22.414 22.847 60.849 1.00 0.00 C ATOM 1497 CD GLU A 95 21.673 21.509 60.874 1.00 0.00 C ATOM 1498 OE1 GLU A 95 22.204 20.551 60.338 1.00 0.00 O ATOM 1499 OE2 GLU A 95 20.587 21.466 61.427 1.00 0.00 O ATOM 0 H GLU A 95 24.679 22.541 57.315 1.00 0.00 H new ATOM 0 HA GLU A 95 24.917 23.673 60.098 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.621 24.134 59.120 1.00 0.00 H new ATOM 0 HB3 GLU A 95 22.461 22.434 58.724 1.00 0.00 H new ATOM 0 HG2 GLU A 95 23.253 22.822 61.544 1.00 0.00 H new ATOM 0 HG3 GLU A 95 21.751 23.647 61.178 1.00 0.00 H new ATOM 1506 N GLN A 96 25.367 20.818 58.832 1.00 0.00 N ATOM 1507 CA GLN A 96 25.784 19.423 59.134 1.00 0.00 C ATOM 1508 C GLN A 96 27.245 19.375 59.574 1.00 0.00 C ATOM 1509 O GLN A 96 27.584 18.698 60.544 1.00 0.00 O ATOM 1510 CB GLN A 96 25.593 18.651 57.827 1.00 0.00 C ATOM 1511 CG GLN A 96 25.910 17.171 58.058 1.00 0.00 C ATOM 1512 CD GLN A 96 25.124 16.319 57.061 1.00 0.00 C ATOM 1513 OE1 GLN A 96 24.036 15.840 57.369 1.00 0.00 O ATOM 1514 NE2 GLN A 96 25.619 16.103 55.873 1.00 0.00 N ATOM 0 H GLN A 96 25.513 21.114 57.867 1.00 0.00 H new ATOM 0 HA GLN A 96 25.199 18.997 59.949 1.00 0.00 H new ATOM 0 HB2 GLN A 96 24.569 18.763 57.472 1.00 0.00 H new ATOM 0 HB3 GLN A 96 26.245 19.057 57.054 1.00 0.00 H new ATOM 0 HG2 GLN A 96 26.979 16.994 57.940 1.00 0.00 H new ATOM 0 HG3 GLN A 96 25.651 16.888 59.078 1.00 0.00 H new ATOM 0 HE21 GLN A 96 26.523 16.501 55.617 1.00 0.00 H new ATOM 0 HE22 GLN A 96 25.102 15.536 55.200 1.00 0.00 H new ATOM 1523 N GLU A 97 28.129 20.060 58.889 1.00 0.00 N ATOM 1524 CA GLU A 97 29.562 20.001 59.313 1.00 0.00 C ATOM 1525 C GLU A 97 29.849 21.067 60.374 1.00 0.00 C ATOM 1526 O GLU A 97 28.948 21.538 61.066 1.00 0.00 O ATOM 1527 CB GLU A 97 30.369 20.257 58.033 1.00 0.00 C ATOM 1528 CG GLU A 97 30.323 21.744 57.665 1.00 0.00 C ATOM 1529 CD GLU A 97 30.823 21.933 56.231 1.00 0.00 C ATOM 1530 OE1 GLU A 97 31.555 21.078 55.758 1.00 0.00 O ATOM 1531 OE2 GLU A 97 30.467 22.932 55.630 1.00 0.00 O ATOM 0 H GLU A 97 27.928 20.643 58.076 1.00 0.00 H new ATOM 0 HA GLU A 97 29.822 19.043 59.764 1.00 0.00 H new ATOM 0 HB2 GLU A 97 31.403 19.943 58.177 1.00 0.00 H new ATOM 0 HB3 GLU A 97 29.966 19.660 57.215 1.00 0.00 H new ATOM 0 HG2 GLU A 97 29.305 22.121 57.759 1.00 0.00 H new ATOM 0 HG3 GLU A 97 30.940 22.319 58.355 1.00 0.00 H new ATOM 1538 N THR A 98 31.082 21.480 60.490 1.00 0.00 N ATOM 1539 CA THR A 98 31.420 22.541 61.478 1.00 0.00 C ATOM 1540 C THR A 98 31.652 23.858 60.723 1.00 0.00 C ATOM 1541 O THR A 98 30.907 24.814 60.924 1.00 0.00 O ATOM 1542 CB THR A 98 32.675 22.061 62.218 1.00 0.00 C ATOM 1543 OG1 THR A 98 32.568 20.666 62.467 1.00 0.00 O ATOM 1544 CG2 THR A 98 32.794 22.807 63.549 1.00 0.00 C ATOM 0 H THR A 98 31.868 21.128 59.944 1.00 0.00 H new ATOM 0 HA THR A 98 30.624 22.721 62.200 1.00 0.00 H new ATOM 0 HB THR A 98 33.558 22.257 61.609 1.00 0.00 H new ATOM 0 HG1 THR A 98 33.369 20.355 62.938 1.00 0.00 H new ATOM 0 HG21 THR A 98 33.685 22.468 64.078 1.00 0.00 H new ATOM 0 HG22 THR A 98 32.869 23.878 63.360 1.00 0.00 H new ATOM 0 HG23 THR A 98 31.913 22.607 64.158 1.00 0.00 H new ATOM 1552 N PRO A 99 32.612 23.886 59.824 1.00 0.00 N ATOM 1553 CA PRO A 99 32.801 25.096 58.982 1.00 0.00 C ATOM 1554 C PRO A 99 31.572 25.214 58.060 1.00 0.00 C ATOM 1555 O PRO A 99 31.238 24.259 57.375 1.00 0.00 O ATOM 1556 CB PRO A 99 34.072 24.798 58.190 1.00 0.00 C ATOM 1557 CG PRO A 99 34.159 23.309 58.171 1.00 0.00 C ATOM 1558 CD PRO A 99 33.590 22.839 59.484 1.00 0.00 C ATOM 0 HA PRO A 99 32.894 26.031 59.534 1.00 0.00 H new ATOM 0 HB2 PRO A 99 34.015 25.205 57.181 1.00 0.00 H new ATOM 0 HB3 PRO A 99 34.948 25.241 58.664 1.00 0.00 H new ATOM 0 HG2 PRO A 99 33.597 22.897 57.333 1.00 0.00 H new ATOM 0 HG3 PRO A 99 35.192 22.981 58.054 1.00 0.00 H new ATOM 0 HD2 PRO A 99 33.117 21.862 59.390 1.00 0.00 H new ATOM 0 HD3 PRO A 99 34.363 22.747 60.247 1.00 0.00 H new ATOM 1566 N VAL A 100 30.886 26.323 58.005 1.00 0.00 N ATOM 1567 CA VAL A 100 29.690 26.389 57.088 1.00 0.00 C ATOM 1568 C VAL A 100 30.160 26.608 55.645 1.00 0.00 C ATOM 1569 O VAL A 100 31.171 27.271 55.421 1.00 0.00 O ATOM 1570 CB VAL A 100 28.868 27.591 57.562 1.00 0.00 C ATOM 1571 CG1 VAL A 100 27.458 27.505 56.980 1.00 0.00 C ATOM 1572 CG2 VAL A 100 28.782 27.602 59.092 1.00 0.00 C ATOM 0 H VAL A 100 31.086 27.170 58.536 1.00 0.00 H new ATOM 0 HA VAL A 100 29.105 25.470 57.113 1.00 0.00 H new ATOM 0 HB VAL A 100 29.353 28.507 57.224 1.00 0.00 H new ATOM 0 HG11 VAL A 100 26.872 28.360 57.317 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.513 27.509 55.891 1.00 0.00 H new ATOM 0 HG13 VAL A 100 26.981 26.584 57.316 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.195 28.461 59.417 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.304 26.685 59.436 1.00 0.00 H new ATOM 0 HG23 VAL A 100 29.786 27.668 59.512 1.00 0.00 H new ATOM 1582 N THR A 101 29.472 26.073 54.648 1.00 0.00 N ATOM 1583 CA THR A 101 29.970 26.309 53.256 1.00 0.00 C ATOM 1584 C THR A 101 28.992 27.150 52.418 1.00 0.00 C ATOM 1585 O THR A 101 28.062 26.667 51.778 1.00 0.00 O ATOM 1586 CB THR A 101 30.105 24.922 52.633 1.00 0.00 C ATOM 1587 OG1 THR A 101 29.606 23.935 53.526 1.00 0.00 O ATOM 1588 CG2 THR A 101 31.576 24.638 52.336 1.00 0.00 C ATOM 0 H THR A 101 28.626 25.510 54.737 1.00 0.00 H new ATOM 0 HA THR A 101 30.908 26.863 53.281 1.00 0.00 H new ATOM 0 HB THR A 101 29.530 24.891 51.708 1.00 0.00 H new ATOM 0 HG1 THR A 101 30.251 23.793 54.250 1.00 0.00 H new ATOM 0 HG21 THR A 101 31.673 23.648 51.891 1.00 0.00 H new ATOM 0 HG22 THR A 101 31.958 25.387 51.642 1.00 0.00 H new ATOM 0 HG23 THR A 101 32.148 24.677 53.263 1.00 0.00 H new ATOM 1596 N LEU A 102 29.298 28.396 52.387 1.00 0.00 N ATOM 1597 CA LEU A 102 28.597 29.423 51.602 1.00 0.00 C ATOM 1598 C LEU A 102 29.738 30.178 50.969 1.00 0.00 C ATOM 1599 O LEU A 102 29.799 30.448 49.770 1.00 0.00 O ATOM 1600 CB LEU A 102 27.838 30.275 52.630 1.00 0.00 C ATOM 1601 CG LEU A 102 26.815 31.183 51.935 1.00 0.00 C ATOM 1602 CD1 LEU A 102 27.497 31.971 50.817 1.00 0.00 C ATOM 1603 CD2 LEU A 102 25.678 30.335 51.351 1.00 0.00 C ATOM 0 H LEU A 102 30.077 28.776 52.924 1.00 0.00 H new ATOM 0 HA LEU A 102 27.887 29.080 50.850 1.00 0.00 H new ATOM 0 HB2 LEU A 102 27.330 29.626 53.343 1.00 0.00 H new ATOM 0 HB3 LEU A 102 28.543 30.882 53.198 1.00 0.00 H new ATOM 0 HG LEU A 102 26.403 31.880 52.665 1.00 0.00 H new ATOM 0 HD11 LEU A 102 26.766 32.614 50.327 1.00 0.00 H new ATOM 0 HD12 LEU A 102 28.295 32.583 51.238 1.00 0.00 H new ATOM 0 HD13 LEU A 102 27.917 31.278 50.088 1.00 0.00 H new ATOM 0 HD21 LEU A 102 24.955 30.985 50.859 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.085 29.631 50.626 1.00 0.00 H new ATOM 0 HD23 LEU A 102 25.185 29.786 52.153 1.00 0.00 H new ATOM 1615 N GLU A 103 30.676 30.495 51.843 1.00 0.00 N ATOM 1616 CA GLU A 103 31.910 31.218 51.488 1.00 0.00 C ATOM 1617 C GLU A 103 32.463 30.809 50.116 1.00 0.00 C ATOM 1618 O GLU A 103 32.869 31.672 49.342 1.00 0.00 O ATOM 1619 CB GLU A 103 32.908 30.848 52.586 1.00 0.00 C ATOM 1620 CG GLU A 103 33.890 32.003 52.799 1.00 0.00 C ATOM 1621 CD GLU A 103 35.298 31.446 53.015 1.00 0.00 C ATOM 1622 OE1 GLU A 103 35.617 31.118 54.147 1.00 0.00 O ATOM 1623 OE2 GLU A 103 36.035 31.355 52.046 1.00 0.00 O ATOM 0 H GLU A 103 30.613 30.260 52.834 1.00 0.00 H new ATOM 0 HA GLU A 103 31.722 32.289 51.418 1.00 0.00 H new ATOM 0 HB2 GLU A 103 32.379 30.631 53.514 1.00 0.00 H new ATOM 0 HB3 GLU A 103 33.450 29.943 52.309 1.00 0.00 H new ATOM 0 HG2 GLU A 103 33.879 32.667 51.935 1.00 0.00 H new ATOM 0 HG3 GLU A 103 33.587 32.597 53.661 1.00 0.00 H new ATOM 1630 N ALA A 104 32.535 29.537 49.782 1.00 0.00 N ATOM 1631 CA ALA A 104 33.127 29.198 48.451 1.00 0.00 C ATOM 1632 C ALA A 104 32.218 29.710 47.327 1.00 0.00 C ATOM 1633 O ALA A 104 32.683 30.263 46.329 1.00 0.00 O ATOM 1634 CB ALA A 104 33.202 27.670 48.424 1.00 0.00 C ATOM 0 H ALA A 104 32.222 28.750 50.350 1.00 0.00 H new ATOM 0 HA ALA A 104 34.106 29.655 48.306 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.628 27.343 47.475 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.832 27.322 49.243 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.200 27.255 48.535 1.00 0.00 H new ATOM 1640 N LEU A 105 30.928 29.542 47.472 1.00 0.00 N ATOM 1641 CA LEU A 105 29.992 30.020 46.413 1.00 0.00 C ATOM 1642 C LEU A 105 29.940 31.550 46.410 1.00 0.00 C ATOM 1643 O LEU A 105 29.927 32.185 45.355 1.00 0.00 O ATOM 1644 CB LEU A 105 28.627 29.426 46.778 1.00 0.00 C ATOM 1645 CG LEU A 105 27.944 28.903 45.509 1.00 0.00 C ATOM 1646 CD1 LEU A 105 28.653 27.629 45.037 1.00 0.00 C ATOM 1647 CD2 LEU A 105 26.470 28.589 45.801 1.00 0.00 C ATOM 0 H LEU A 105 30.485 29.096 48.275 1.00 0.00 H new ATOM 0 HA LEU A 105 30.305 29.713 45.415 1.00 0.00 H new ATOM 0 HB2 LEU A 105 28.751 28.617 47.498 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.004 30.183 47.254 1.00 0.00 H new ATOM 0 HG LEU A 105 28.001 29.664 44.731 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.168 27.256 44.135 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.698 27.853 44.822 1.00 0.00 H new ATOM 0 HD13 LEU A 105 28.598 26.871 45.818 1.00 0.00 H new ATOM 0 HD21 LEU A 105 25.991 28.218 44.895 1.00 0.00 H new ATOM 0 HD22 LEU A 105 26.407 27.831 46.582 1.00 0.00 H new ATOM 0 HD23 LEU A 105 25.964 29.495 46.134 1.00 0.00 H new ATOM 1659 N ALA A 106 29.920 32.157 47.566 1.00 0.00 N ATOM 1660 CA ALA A 106 29.878 33.647 47.628 1.00 0.00 C ATOM 1661 C ALA A 106 31.192 34.227 47.098 1.00 0.00 C ATOM 1662 O ALA A 106 31.207 35.255 46.423 1.00 0.00 O ATOM 1663 CB ALA A 106 29.702 33.983 49.109 1.00 0.00 C ATOM 0 H ALA A 106 29.931 31.686 48.470 1.00 0.00 H new ATOM 0 HA ALA A 106 29.074 34.064 47.022 1.00 0.00 H new ATOM 0 HB1 ALA A 106 29.662 35.065 49.234 1.00 0.00 H new ATOM 0 HB2 ALA A 106 28.775 33.541 49.475 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.543 33.583 49.675 1.00 0.00 H new ATOM 1669 N ASP A 107 32.294 33.583 47.381 1.00 0.00 N ATOM 1670 CA ASP A 107 33.600 34.081 46.892 1.00 0.00 C ATOM 1671 C ASP A 107 33.667 33.978 45.365 1.00 0.00 C ATOM 1672 O ASP A 107 34.176 34.870 44.688 1.00 0.00 O ATOM 1673 CB ASP A 107 34.615 33.155 47.549 1.00 0.00 C ATOM 1674 CG ASP A 107 35.048 33.738 48.896 1.00 0.00 C ATOM 1675 OD1 ASP A 107 35.811 34.690 48.887 1.00 0.00 O ATOM 1676 OD2 ASP A 107 34.610 33.223 49.911 1.00 0.00 O ATOM 0 H ASP A 107 32.339 32.727 47.935 1.00 0.00 H new ATOM 0 HA ASP A 107 33.778 35.128 47.135 1.00 0.00 H new ATOM 0 HB2 ASP A 107 34.180 32.166 47.693 1.00 0.00 H new ATOM 0 HB3 ASP A 107 35.482 33.031 46.900 1.00 0.00 H new ATOM 1681 N GLN A 108 33.161 32.908 44.808 1.00 0.00 N ATOM 1682 CA GLN A 108 33.197 32.754 43.324 1.00 0.00 C ATOM 1683 C GLN A 108 32.311 33.811 42.654 1.00 0.00 C ATOM 1684 O GLN A 108 32.710 34.451 41.683 1.00 0.00 O ATOM 1685 CB GLN A 108 32.651 31.351 43.052 1.00 0.00 C ATOM 1686 CG GLN A 108 32.712 31.059 41.550 1.00 0.00 C ATOM 1687 CD GLN A 108 31.313 31.188 40.946 1.00 0.00 C ATOM 1688 OE1 GLN A 108 30.882 32.283 40.590 1.00 0.00 O ATOM 1689 NE2 GLN A 108 30.574 30.121 40.809 1.00 0.00 N ATOM 0 H GLN A 108 32.726 32.137 45.315 1.00 0.00 H new ATOM 0 HA GLN A 108 34.203 32.885 42.926 1.00 0.00 H new ATOM 0 HB2 GLN A 108 33.233 30.611 43.601 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.623 31.275 43.406 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.396 31.753 41.062 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.102 30.055 41.380 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.931 29.212 41.104 1.00 0.00 H new ATOM 0 HE22 GLN A 108 29.640 30.196 40.407 1.00 0.00 H new ATOM 1698 N VAL A 109 31.116 34.004 43.149 1.00 0.00 N ATOM 1699 CA VAL A 109 30.205 35.018 42.535 1.00 0.00 C ATOM 1700 C VAL A 109 30.638 36.434 42.922 1.00 0.00 C ATOM 1701 O VAL A 109 30.248 37.410 42.285 1.00 0.00 O ATOM 1702 CB VAL A 109 28.819 34.710 43.101 1.00 0.00 C ATOM 1703 CG1 VAL A 109 27.784 35.617 42.436 1.00 0.00 C ATOM 1704 CG2 VAL A 109 28.470 33.248 42.819 1.00 0.00 C ATOM 0 H VAL A 109 30.731 33.505 43.951 1.00 0.00 H new ATOM 0 HA VAL A 109 30.220 34.970 41.446 1.00 0.00 H new ATOM 0 HB VAL A 109 28.817 34.885 44.177 1.00 0.00 H new ATOM 0 HG11 VAL A 109 26.795 35.398 42.839 1.00 0.00 H new ATOM 0 HG12 VAL A 109 28.033 36.660 42.634 1.00 0.00 H new ATOM 0 HG13 VAL A 109 27.784 35.441 41.360 1.00 0.00 H new ATOM 0 HG21 VAL A 109 27.482 33.026 43.222 1.00 0.00 H new ATOM 0 HG22 VAL A 109 28.471 33.075 41.743 1.00 0.00 H new ATOM 0 HG23 VAL A 109 29.208 32.600 43.291 1.00 0.00 H new ATOM 1714 N ALA A 110 31.436 36.563 43.957 1.00 0.00 N ATOM 1715 CA ALA A 110 31.917 37.910 44.409 1.00 0.00 C ATOM 1716 C ALA A 110 30.842 38.625 45.233 1.00 0.00 C ATOM 1717 O ALA A 110 30.798 39.853 45.286 1.00 0.00 O ATOM 1718 CB ALA A 110 32.246 38.703 43.138 1.00 0.00 C ATOM 0 H ALA A 110 31.779 35.781 44.515 1.00 0.00 H new ATOM 0 HA ALA A 110 32.793 37.817 45.051 1.00 0.00 H new ATOM 0 HB1 ALA A 110 32.602 39.696 43.411 1.00 0.00 H new ATOM 0 HB2 ALA A 110 33.020 38.182 42.574 1.00 0.00 H new ATOM 0 HB3 ALA A 110 31.350 38.795 42.524 1.00 0.00 H new ATOM 1724 N MET A 111 29.977 37.888 45.885 1.00 0.00 N ATOM 1725 CA MET A 111 28.918 38.549 46.709 1.00 0.00 C ATOM 1726 C MET A 111 28.889 37.979 48.136 1.00 0.00 C ATOM 1727 O MET A 111 29.539 36.982 48.445 1.00 0.00 O ATOM 1728 CB MET A 111 27.602 38.276 45.979 1.00 0.00 C ATOM 1729 CG MET A 111 27.385 36.770 45.835 1.00 0.00 C ATOM 1730 SD MET A 111 25.903 36.478 44.841 1.00 0.00 S ATOM 1731 CE MET A 111 25.877 34.680 45.009 1.00 0.00 C ATOM 0 H MET A 111 29.957 36.868 45.883 1.00 0.00 H new ATOM 0 HA MET A 111 29.103 39.618 46.816 1.00 0.00 H new ATOM 0 HB2 MET A 111 26.773 38.720 46.530 1.00 0.00 H new ATOM 0 HB3 MET A 111 27.619 38.745 44.995 1.00 0.00 H new ATOM 0 HG2 MET A 111 28.252 36.309 45.362 1.00 0.00 H new ATOM 0 HG3 MET A 111 27.276 36.310 46.817 1.00 0.00 H new ATOM 0 HE1 MET A 111 26.129 34.222 44.053 1.00 0.00 H new ATOM 0 HE2 MET A 111 26.604 34.374 45.761 1.00 0.00 H new ATOM 0 HE3 MET A 111 24.882 34.357 45.315 1.00 0.00 H new ATOM 1741 N SER A 112 28.151 38.615 49.010 1.00 0.00 N ATOM 1742 CA SER A 112 28.062 38.160 50.435 1.00 0.00 C ATOM 1743 C SER A 112 27.234 36.872 50.566 1.00 0.00 C ATOM 1744 O SER A 112 26.594 36.439 49.611 1.00 0.00 O ATOM 1745 CB SER A 112 27.370 39.311 51.172 1.00 0.00 C ATOM 1746 OG SER A 112 26.525 40.013 50.269 1.00 0.00 O ATOM 0 H SER A 112 27.597 39.444 48.795 1.00 0.00 H new ATOM 0 HA SER A 112 29.047 37.931 50.842 1.00 0.00 H new ATOM 0 HB2 SER A 112 26.786 38.923 52.007 1.00 0.00 H new ATOM 0 HB3 SER A 112 28.114 39.988 51.591 1.00 0.00 H new ATOM 0 HG SER A 112 26.970 40.836 49.977 1.00 0.00 H new ATOM 1752 N PRO A 113 27.265 36.298 51.750 1.00 0.00 N ATOM 1753 CA PRO A 113 26.504 35.053 52.019 1.00 0.00 C ATOM 1754 C PRO A 113 25.016 35.330 51.870 1.00 0.00 C ATOM 1755 O PRO A 113 24.245 34.455 51.470 1.00 0.00 O ATOM 1756 CB PRO A 113 26.883 34.700 53.457 1.00 0.00 C ATOM 1757 CG PRO A 113 27.313 35.997 54.056 1.00 0.00 C ATOM 1758 CD PRO A 113 27.989 36.753 52.945 1.00 0.00 C ATOM 0 HA PRO A 113 26.729 34.235 51.334 1.00 0.00 H new ATOM 0 HB2 PRO A 113 26.038 34.273 53.997 1.00 0.00 H new ATOM 0 HB3 PRO A 113 27.685 33.963 53.487 1.00 0.00 H new ATOM 0 HG2 PRO A 113 26.459 36.552 54.444 1.00 0.00 H new ATOM 0 HG3 PRO A 113 27.994 35.836 54.891 1.00 0.00 H new ATOM 0 HD2 PRO A 113 27.906 37.831 53.081 1.00 0.00 H new ATOM 0 HD3 PRO A 113 29.052 36.520 52.886 1.00 0.00 H new ATOM 1766 N PHE A 114 24.592 36.543 52.124 1.00 0.00 N ATOM 1767 CA PHE A 114 23.156 36.843 51.928 1.00 0.00 C ATOM 1768 C PHE A 114 22.849 36.821 50.440 1.00 0.00 C ATOM 1769 O PHE A 114 21.816 36.292 50.033 1.00 0.00 O ATOM 1770 CB PHE A 114 22.881 38.230 52.511 1.00 0.00 C ATOM 1771 CG PHE A 114 22.940 38.208 54.023 1.00 0.00 C ATOM 1772 CD1 PHE A 114 23.292 37.045 54.720 1.00 0.00 C ATOM 1773 CD2 PHE A 114 22.628 39.372 54.728 1.00 0.00 C ATOM 1774 CE1 PHE A 114 23.338 37.054 56.118 1.00 0.00 C ATOM 1775 CE2 PHE A 114 22.671 39.382 56.124 1.00 0.00 C ATOM 1776 CZ PHE A 114 23.029 38.225 56.820 1.00 0.00 C ATOM 0 H PHE A 114 25.169 37.318 52.451 1.00 0.00 H new ATOM 0 HA PHE A 114 22.527 36.105 52.426 1.00 0.00 H new ATOM 0 HB2 PHE A 114 23.612 38.941 52.126 1.00 0.00 H new ATOM 0 HB3 PHE A 114 21.899 38.576 52.187 1.00 0.00 H new ATOM 0 HD1 PHE A 114 23.528 36.141 54.178 1.00 0.00 H new ATOM 0 HD2 PHE A 114 22.352 40.268 54.192 1.00 0.00 H new ATOM 0 HE1 PHE A 114 23.612 36.158 56.655 1.00 0.00 H new ATOM 0 HE2 PHE A 114 22.427 40.284 56.665 1.00 0.00 H new ATOM 0 HZ PHE A 114 23.067 38.234 57.899 1.00 0.00 H new ATOM 1786 N HIS A 115 23.699 37.366 49.597 1.00 0.00 N ATOM 1787 CA HIS A 115 23.346 37.305 48.162 1.00 0.00 C ATOM 1788 C HIS A 115 23.471 35.858 47.623 1.00 0.00 C ATOM 1789 O HIS A 115 22.778 35.484 46.679 1.00 0.00 O ATOM 1790 CB HIS A 115 24.173 38.296 47.364 1.00 0.00 C ATOM 1791 CG HIS A 115 23.266 38.692 46.229 1.00 0.00 C ATOM 1792 ND1 HIS A 115 22.875 38.033 45.089 1.00 0.00 N flip ATOM 1793 CD2 HIS A 115 22.462 39.820 46.308 1.00 0.00 C flip ATOM 1794 CE1 HIS A 115 21.832 38.729 44.480 1.00 0.00 C flip ATOM 1795 NE2 HIS A 115 21.625 39.795 45.255 1.00 0.00 N flip ATOM 0 H HIS A 115 24.578 37.827 49.834 1.00 0.00 H new ATOM 0 HA HIS A 115 22.302 37.595 48.045 1.00 0.00 H new ATOM 0 HB2 HIS A 115 24.457 39.158 47.968 1.00 0.00 H new ATOM 0 HB3 HIS A 115 25.096 37.845 46.999 1.00 0.00 H new ATOM 0 HD1 HIS A 115 23.285 37.166 44.741 1.00 0.00 H new ATOM 0 HD2 HIS A 115 22.501 40.579 47.075 1.00 0.00 H new ATOM 0 HE1 HIS A 115 21.305 38.463 43.576 1.00 0.00 H new ATOM 1803 N LEU A 116 24.283 35.017 48.231 1.00 0.00 N ATOM 1804 CA LEU A 116 24.353 33.595 47.765 1.00 0.00 C ATOM 1805 C LEU A 116 23.005 32.956 48.076 1.00 0.00 C ATOM 1806 O LEU A 116 22.435 32.230 47.264 1.00 0.00 O ATOM 1807 CB LEU A 116 25.475 32.937 48.571 1.00 0.00 C ATOM 1808 CG LEU A 116 25.958 31.661 47.860 1.00 0.00 C ATOM 1809 CD1 LEU A 116 24.799 30.669 47.728 1.00 0.00 C ATOM 1810 CD2 LEU A 116 26.489 32.010 46.466 1.00 0.00 C ATOM 0 H LEU A 116 24.890 35.252 49.017 1.00 0.00 H new ATOM 0 HA LEU A 116 24.556 33.493 46.699 1.00 0.00 H new ATOM 0 HB2 LEU A 116 26.305 33.633 48.689 1.00 0.00 H new ATOM 0 HB3 LEU A 116 25.119 32.693 49.572 1.00 0.00 H new ATOM 0 HG LEU A 116 26.757 31.210 48.449 1.00 0.00 H new ATOM 0 HD11 LEU A 116 25.147 29.768 47.224 1.00 0.00 H new ATOM 0 HD12 LEU A 116 24.427 30.410 48.719 1.00 0.00 H new ATOM 0 HD13 LEU A 116 23.996 31.123 47.147 1.00 0.00 H new ATOM 0 HD21 LEU A 116 26.829 31.102 45.968 1.00 0.00 H new ATOM 0 HD22 LEU A 116 25.694 32.470 45.878 1.00 0.00 H new ATOM 0 HD23 LEU A 116 27.322 32.707 46.558 1.00 0.00 H new ATOM 1822 N HIS A 117 22.454 33.265 49.222 1.00 0.00 N ATOM 1823 CA HIS A 117 21.107 32.734 49.566 1.00 0.00 C ATOM 1824 C HIS A 117 20.103 33.311 48.548 1.00 0.00 C ATOM 1825 O HIS A 117 19.230 32.606 48.036 1.00 0.00 O ATOM 1826 CB HIS A 117 20.839 33.223 50.989 1.00 0.00 C ATOM 1827 CG HIS A 117 21.884 32.639 51.904 1.00 0.00 C ATOM 1828 ND1 HIS A 117 22.472 33.370 52.923 1.00 0.00 N ATOM 1829 CD2 HIS A 117 22.465 31.394 51.956 1.00 0.00 C ATOM 1830 CE1 HIS A 117 23.358 32.569 53.540 1.00 0.00 C ATOM 1831 NE2 HIS A 117 23.394 31.353 52.990 1.00 0.00 N ATOM 0 H HIS A 117 22.880 33.861 49.931 1.00 0.00 H new ATOM 0 HA HIS A 117 21.026 31.648 49.525 1.00 0.00 H new ATOM 0 HB2 HIS A 117 20.869 34.312 51.027 1.00 0.00 H new ATOM 0 HB3 HIS A 117 19.843 32.921 51.311 1.00 0.00 H new ATOM 0 HD2 HIS A 117 22.235 30.572 51.294 1.00 0.00 H new ATOM 0 HE1 HIS A 117 23.967 32.872 54.379 1.00 0.00 H new ATOM 0 HE2 HIS A 117 23.977 30.564 53.268 1.00 0.00 H new ATOM 1839 N ARG A 118 20.269 34.567 48.188 1.00 0.00 N ATOM 1840 CA ARG A 118 19.388 35.206 47.147 1.00 0.00 C ATOM 1841 C ARG A 118 19.518 34.433 45.815 1.00 0.00 C ATOM 1842 O ARG A 118 18.543 34.255 45.088 1.00 0.00 O ATOM 1843 CB ARG A 118 19.919 36.631 46.993 1.00 0.00 C ATOM 1844 CG ARG A 118 19.318 37.521 48.082 1.00 0.00 C ATOM 1845 CD ARG A 118 18.791 38.809 47.451 1.00 0.00 C ATOM 1846 NE ARG A 118 17.691 38.369 46.543 1.00 0.00 N ATOM 1847 CZ ARG A 118 16.528 38.004 47.025 1.00 0.00 C ATOM 1848 NH1 ARG A 118 16.302 38.017 48.314 1.00 0.00 N ATOM 1849 NH2 ARG A 118 15.583 37.623 46.208 1.00 0.00 N ATOM 0 H ARG A 118 20.984 35.183 48.574 1.00 0.00 H new ATOM 0 HA ARG A 118 18.335 35.198 47.428 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.007 36.635 47.065 1.00 0.00 H new ATOM 0 HB3 ARG A 118 19.663 37.021 46.008 1.00 0.00 H new ATOM 0 HG2 ARG A 118 18.510 36.996 48.592 1.00 0.00 H new ATOM 0 HG3 ARG A 118 20.072 37.753 48.834 1.00 0.00 H new ATOM 0 HD2 ARG A 118 18.424 39.500 48.210 1.00 0.00 H new ATOM 0 HD3 ARG A 118 19.575 39.328 46.900 1.00 0.00 H new ATOM 0 HE ARG A 118 17.846 38.352 45.535 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.036 38.314 48.957 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.392 37.730 48.675 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.753 37.611 45.202 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.675 37.338 46.576 1.00 0.00 H new ATOM 1863 N LEU A 119 20.698 33.924 45.509 1.00 0.00 N ATOM 1864 CA LEU A 119 20.893 33.103 44.257 1.00 0.00 C ATOM 1865 C LEU A 119 20.157 31.750 44.431 1.00 0.00 C ATOM 1866 O LEU A 119 19.419 31.302 43.556 1.00 0.00 O ATOM 1867 CB LEU A 119 22.412 32.900 44.150 1.00 0.00 C ATOM 1868 CG LEU A 119 22.762 31.972 42.976 1.00 0.00 C ATOM 1869 CD1 LEU A 119 22.601 30.513 43.408 1.00 0.00 C ATOM 1870 CD2 LEU A 119 21.844 32.258 41.780 1.00 0.00 C ATOM 0 H LEU A 119 21.538 34.043 46.075 1.00 0.00 H new ATOM 0 HA LEU A 119 20.497 33.578 43.359 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.903 33.864 44.015 1.00 0.00 H new ATOM 0 HB3 LEU A 119 22.792 32.476 45.079 1.00 0.00 H new ATOM 0 HG LEU A 119 23.795 32.153 42.680 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.850 29.857 42.574 1.00 0.00 H new ATOM 0 HD12 LEU A 119 23.268 30.305 44.244 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.570 30.336 43.714 1.00 0.00 H new ATOM 0 HD21 LEU A 119 22.103 31.594 40.956 1.00 0.00 H new ATOM 0 HD22 LEU A 119 20.807 32.090 42.069 1.00 0.00 H new ATOM 0 HD23 LEU A 119 21.970 33.294 41.464 1.00 0.00 H new ATOM 1882 N PHE A 120 20.317 31.130 45.586 1.00 0.00 N ATOM 1883 CA PHE A 120 19.609 29.829 45.920 1.00 0.00 C ATOM 1884 C PHE A 120 18.089 30.013 45.595 1.00 0.00 C ATOM 1885 O PHE A 120 17.449 29.125 45.043 1.00 0.00 O ATOM 1886 CB PHE A 120 19.904 29.678 47.456 1.00 0.00 C ATOM 1887 CG PHE A 120 19.984 28.220 47.972 1.00 0.00 C ATOM 1888 CD1 PHE A 120 19.212 27.214 47.381 1.00 0.00 C ATOM 1889 CD2 PHE A 120 20.776 27.893 49.123 1.00 0.00 C ATOM 1890 CE1 PHE A 120 19.221 25.913 47.894 1.00 0.00 C ATOM 1891 CE2 PHE A 120 20.759 26.586 49.640 1.00 0.00 C ATOM 1892 CZ PHE A 120 19.981 25.602 49.023 1.00 0.00 C ATOM 0 H PHE A 120 20.922 31.476 46.331 1.00 0.00 H new ATOM 0 HA PHE A 120 19.928 28.946 45.367 1.00 0.00 H new ATOM 0 HB2 PHE A 120 20.847 30.178 47.679 1.00 0.00 H new ATOM 0 HB3 PHE A 120 19.126 30.201 48.012 1.00 0.00 H new ATOM 0 HD1 PHE A 120 18.603 27.445 46.520 1.00 0.00 H new ATOM 0 HD2 PHE A 120 21.385 28.651 49.592 1.00 0.00 H new ATOM 0 HE1 PHE A 120 18.636 25.143 47.413 1.00 0.00 H new ATOM 0 HE2 PHE A 120 21.346 26.342 50.513 1.00 0.00 H new ATOM 0 HZ PHE A 120 19.968 24.598 49.421 1.00 0.00 H new ATOM 1902 N LYS A 121 17.528 31.180 45.883 1.00 0.00 N ATOM 1903 CA LYS A 121 16.076 31.474 45.550 1.00 0.00 C ATOM 1904 C LYS A 121 15.926 31.749 44.047 1.00 0.00 C ATOM 1905 O LYS A 121 14.958 31.343 43.414 1.00 0.00 O ATOM 1906 CB LYS A 121 15.752 32.759 46.309 1.00 0.00 C ATOM 1907 CG LYS A 121 14.476 33.418 45.752 1.00 0.00 C ATOM 1908 CD LYS A 121 14.695 34.930 45.634 1.00 0.00 C ATOM 1909 CE LYS A 121 14.028 35.448 44.356 1.00 0.00 C ATOM 1910 NZ LYS A 121 12.568 35.219 44.556 1.00 0.00 N ATOM 0 H LYS A 121 18.019 31.949 46.339 1.00 0.00 H new ATOM 0 HA LYS A 121 15.425 30.641 45.815 1.00 0.00 H new ATOM 0 HB2 LYS A 121 15.619 32.537 47.368 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.589 33.453 46.231 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.232 32.997 44.776 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.631 33.212 46.408 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.279 35.437 46.505 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.762 35.153 45.615 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.243 36.505 44.200 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.393 34.916 43.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.269 34.386 44.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.377 35.058 45.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.038 36.053 44.232 1.00 0.00 H new ATOM 1924 N ALA A 122 16.877 32.441 43.475 1.00 0.00 N ATOM 1925 CA ALA A 122 16.816 32.754 42.018 1.00 0.00 C ATOM 1926 C ALA A 122 16.767 31.448 41.226 1.00 0.00 C ATOM 1927 O ALA A 122 15.888 31.235 40.392 1.00 0.00 O ATOM 1928 CB ALA A 122 18.106 33.520 41.716 1.00 0.00 C ATOM 0 H ALA A 122 17.698 32.805 43.959 1.00 0.00 H new ATOM 0 HA ALA A 122 15.935 33.337 41.748 1.00 0.00 H new ATOM 0 HB1 ALA A 122 18.133 33.785 40.659 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.140 34.427 42.319 1.00 0.00 H new ATOM 0 HB3 ALA A 122 18.965 32.894 41.955 1.00 0.00 H new ATOM 1934 N THR A 123 17.704 30.574 41.470 1.00 0.00 N ATOM 1935 CA THR A 123 17.728 29.273 40.728 1.00 0.00 C ATOM 1936 C THR A 123 16.530 28.390 41.184 1.00 0.00 C ATOM 1937 O THR A 123 15.654 28.060 40.388 1.00 0.00 O ATOM 1938 CB THR A 123 19.077 28.640 41.091 1.00 0.00 C ATOM 1939 OG1 THR A 123 20.047 29.666 41.254 1.00 0.00 O ATOM 1940 CG2 THR A 123 19.533 27.733 39.948 1.00 0.00 C ATOM 0 H THR A 123 18.455 30.700 42.149 1.00 0.00 H new ATOM 0 HA THR A 123 17.629 29.390 39.649 1.00 0.00 H new ATOM 0 HB THR A 123 18.970 28.067 42.012 1.00 0.00 H new ATOM 0 HG1 THR A 123 20.910 29.266 41.488 1.00 0.00 H new ATOM 0 HG21 THR A 123 20.492 27.281 40.202 1.00 0.00 H new ATOM 0 HG22 THR A 123 18.793 26.949 39.789 1.00 0.00 H new ATOM 0 HG23 THR A 123 19.640 28.322 39.037 1.00 0.00 H new ATOM 1948 N THR A 124 16.441 28.064 42.461 1.00 0.00 N ATOM 1949 CA THR A 124 15.259 27.275 42.996 1.00 0.00 C ATOM 1950 C THR A 124 13.975 27.969 42.540 1.00 0.00 C ATOM 1951 O THR A 124 12.957 27.334 42.271 1.00 0.00 O ATOM 1952 CB THR A 124 15.405 27.278 44.528 1.00 0.00 C ATOM 1953 OG1 THR A 124 14.826 26.092 45.054 1.00 0.00 O ATOM 1954 CG2 THR A 124 14.706 28.493 45.139 1.00 0.00 C ATOM 0 H THR A 124 17.138 28.310 43.163 1.00 0.00 H new ATOM 0 HA THR A 124 15.224 26.248 42.633 1.00 0.00 H new ATOM 0 HB THR A 124 16.465 27.325 44.777 1.00 0.00 H new ATOM 0 HG1 THR A 124 14.830 26.132 46.033 1.00 0.00 H new ATOM 0 HG21 THR A 124 14.823 28.473 46.223 1.00 0.00 H new ATOM 0 HG22 THR A 124 15.150 29.406 44.743 1.00 0.00 H new ATOM 0 HG23 THR A 124 13.646 28.467 44.888 1.00 0.00 H new ATOM 1962 N GLY A 125 14.026 29.274 42.429 1.00 0.00 N ATOM 1963 CA GLY A 125 12.841 30.058 41.968 1.00 0.00 C ATOM 1964 C GLY A 125 12.193 30.936 43.063 1.00 0.00 C ATOM 1965 O GLY A 125 11.815 32.064 42.751 1.00 0.00 O ATOM 0 H GLY A 125 14.851 29.835 42.642 1.00 0.00 H new ATOM 0 HA2 GLY A 125 13.143 30.697 41.138 1.00 0.00 H new ATOM 0 HA3 GLY A 125 12.091 29.367 41.582 1.00 0.00 H new ATOM 1969 N MET A 126 12.044 30.531 44.308 1.00 0.00 N ATOM 1970 CA MET A 126 11.393 31.507 45.264 1.00 0.00 C ATOM 1971 C MET A 126 11.670 31.247 46.759 1.00 0.00 C ATOM 1972 O MET A 126 10.747 31.285 47.571 1.00 0.00 O ATOM 1973 CB MET A 126 9.892 31.347 45.001 1.00 0.00 C ATOM 1974 CG MET A 126 9.463 32.231 43.829 1.00 0.00 C ATOM 1975 SD MET A 126 7.693 32.585 43.961 1.00 0.00 S ATOM 1976 CE MET A 126 7.103 30.945 43.474 1.00 0.00 C ATOM 0 H MET A 126 12.323 29.628 44.691 1.00 0.00 H new ATOM 0 HA MET A 126 11.795 32.504 45.084 1.00 0.00 H new ATOM 0 HB2 MET A 126 9.663 30.304 44.782 1.00 0.00 H new ATOM 0 HB3 MET A 126 9.328 31.616 45.894 1.00 0.00 H new ATOM 0 HG2 MET A 126 10.032 33.160 43.833 1.00 0.00 H new ATOM 0 HG3 MET A 126 9.676 31.730 42.884 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.430 31.039 42.622 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.952 30.320 43.198 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.571 30.487 44.308 1.00 0.00 H new ATOM 1986 N THR A 127 12.900 31.053 47.164 1.00 0.00 N ATOM 1987 CA THR A 127 13.189 30.866 48.616 1.00 0.00 C ATOM 1988 C THR A 127 14.702 30.887 48.858 1.00 0.00 C ATOM 1989 O THR A 127 15.327 29.833 48.887 1.00 0.00 O ATOM 1990 CB THR A 127 12.629 29.497 48.986 1.00 0.00 C ATOM 1991 OG1 THR A 127 11.446 29.220 48.249 1.00 0.00 O ATOM 1992 CG2 THR A 127 12.303 29.519 50.462 1.00 0.00 C ATOM 0 H THR A 127 13.715 31.016 46.552 1.00 0.00 H new ATOM 0 HA THR A 127 12.743 31.660 49.215 1.00 0.00 H new ATOM 0 HB THR A 127 13.362 28.724 48.754 1.00 0.00 H new ATOM 0 HG1 THR A 127 10.824 29.972 48.334 1.00 0.00 H new ATOM 0 HG21 THR A 127 11.899 28.551 50.760 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.209 29.725 51.032 1.00 0.00 H new ATOM 0 HG23 THR A 127 11.565 30.297 50.660 1.00 0.00 H new ATOM 2000 N PRO A 128 15.280 32.052 49.016 1.00 0.00 N ATOM 2001 CA PRO A 128 16.752 32.096 49.207 1.00 0.00 C ATOM 2002 C PRO A 128 17.195 31.587 50.580 1.00 0.00 C ATOM 2003 O PRO A 128 17.244 30.385 50.828 1.00 0.00 O ATOM 2004 CB PRO A 128 17.066 33.583 49.019 1.00 0.00 C ATOM 2005 CG PRO A 128 15.801 34.308 49.370 1.00 0.00 C ATOM 2006 CD PRO A 128 14.653 33.380 49.067 1.00 0.00 C ATOM 0 HA PRO A 128 17.284 31.444 48.515 1.00 0.00 H new ATOM 0 HB2 PRO A 128 17.888 33.895 49.663 1.00 0.00 H new ATOM 0 HB3 PRO A 128 17.367 33.794 47.993 1.00 0.00 H new ATOM 0 HG2 PRO A 128 15.799 34.590 50.423 1.00 0.00 H new ATOM 0 HG3 PRO A 128 15.713 35.229 48.793 1.00 0.00 H new ATOM 0 HD2 PRO A 128 13.884 33.430 49.838 1.00 0.00 H new ATOM 0 HD3 PRO A 128 14.173 33.633 48.121 1.00 0.00 H new ATOM 2014 N LYS A 129 17.549 32.478 51.467 1.00 0.00 N ATOM 2015 CA LYS A 129 18.026 32.061 52.810 1.00 0.00 C ATOM 2016 C LYS A 129 16.953 31.243 53.535 1.00 0.00 C ATOM 2017 O LYS A 129 17.255 30.411 54.388 1.00 0.00 O ATOM 2018 CB LYS A 129 18.281 33.371 53.522 1.00 0.00 C ATOM 2019 CG LYS A 129 19.407 33.219 54.534 1.00 0.00 C ATOM 2020 CD LYS A 129 20.082 34.578 54.710 1.00 0.00 C ATOM 2021 CE LYS A 129 20.820 34.611 56.040 1.00 0.00 C ATOM 2022 NZ LYS A 129 22.032 33.771 55.834 1.00 0.00 N ATOM 0 H LYS A 129 17.527 33.486 51.313 1.00 0.00 H new ATOM 0 HA LYS A 129 18.911 31.426 52.769 1.00 0.00 H new ATOM 0 HB2 LYS A 129 18.539 34.142 52.796 1.00 0.00 H new ATOM 0 HB3 LYS A 129 17.373 33.700 54.027 1.00 0.00 H new ATOM 0 HG2 LYS A 129 19.015 32.864 55.487 1.00 0.00 H new ATOM 0 HG3 LYS A 129 20.129 32.478 54.190 1.00 0.00 H new ATOM 0 HD2 LYS A 129 20.778 34.758 53.891 1.00 0.00 H new ATOM 0 HD3 LYS A 129 19.337 35.373 54.676 1.00 0.00 H new ATOM 0 HE2 LYS A 129 21.090 35.631 56.316 1.00 0.00 H new ATOM 0 HE3 LYS A 129 20.200 34.217 56.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 22.617 33.788 56.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 21.745 32.792 55.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 22.582 34.145 55.034 1.00 0.00 H new ATOM 2036 N ALA A 130 15.707 31.453 53.203 1.00 0.00 N ATOM 2037 CA ALA A 130 14.618 30.669 53.869 1.00 0.00 C ATOM 2038 C ALA A 130 14.707 29.197 53.423 1.00 0.00 C ATOM 2039 O ALA A 130 14.493 28.289 54.224 1.00 0.00 O ATOM 2040 CB ALA A 130 13.313 31.303 53.386 1.00 0.00 C ATOM 0 H ALA A 130 15.394 32.128 52.505 1.00 0.00 H new ATOM 0 HA ALA A 130 14.689 30.687 54.957 1.00 0.00 H new ATOM 0 HB1 ALA A 130 12.467 30.780 53.833 1.00 0.00 H new ATOM 0 HB2 ALA A 130 13.288 32.352 53.680 1.00 0.00 H new ATOM 0 HB3 ALA A 130 13.253 31.229 52.300 1.00 0.00 H new ATOM 2046 N TRP A 131 15.081 28.925 52.177 1.00 0.00 N ATOM 2047 CA TRP A 131 15.235 27.494 51.769 1.00 0.00 C ATOM 2048 C TRP A 131 16.365 26.897 52.586 1.00 0.00 C ATOM 2049 O TRP A 131 16.314 25.737 52.997 1.00 0.00 O ATOM 2050 CB TRP A 131 15.631 27.508 50.295 1.00 0.00 C ATOM 2051 CG TRP A 131 14.712 26.654 49.472 1.00 0.00 C ATOM 2052 CD1 TRP A 131 15.097 26.013 48.343 1.00 0.00 C ATOM 2053 CD2 TRP A 131 13.301 26.313 49.673 1.00 0.00 C ATOM 2054 NE1 TRP A 131 14.021 25.318 47.830 1.00 0.00 N ATOM 2055 CE2 TRP A 131 12.892 25.469 48.610 1.00 0.00 C ATOM 2056 CE3 TRP A 131 12.342 26.648 50.650 1.00 0.00 C ATOM 2057 CZ2 TRP A 131 11.588 24.978 48.522 1.00 0.00 C ATOM 2058 CZ3 TRP A 131 11.031 26.154 50.563 1.00 0.00 C ATOM 2059 CH2 TRP A 131 10.654 25.322 49.500 1.00 0.00 C ATOM 0 H TRP A 131 15.278 29.617 51.454 1.00 0.00 H new ATOM 0 HA TRP A 131 14.324 26.916 51.925 1.00 0.00 H new ATOM 0 HB2 TRP A 131 15.611 28.532 49.921 1.00 0.00 H new ATOM 0 HB3 TRP A 131 16.655 27.150 50.189 1.00 0.00 H new ATOM 0 HD1 TRP A 131 16.087 26.041 47.913 1.00 0.00 H new ATOM 0 HE1 TRP A 131 14.056 24.760 46.977 1.00 0.00 H new ATOM 0 HE3 TRP A 131 12.618 27.291 51.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 11.304 24.336 47.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 10.308 26.417 51.321 1.00 0.00 H new ATOM 0 HH2 TRP A 131 9.643 24.948 49.438 1.00 0.00 H new ATOM 2070 N GLN A 132 17.374 27.675 52.862 1.00 0.00 N ATOM 2071 CA GLN A 132 18.504 27.164 53.690 1.00 0.00 C ATOM 2072 C GLN A 132 18.002 26.914 55.121 1.00 0.00 C ATOM 2073 O GLN A 132 18.272 25.879 55.727 1.00 0.00 O ATOM 2074 CB GLN A 132 19.553 28.289 53.648 1.00 0.00 C ATOM 2075 CG GLN A 132 20.533 28.173 54.823 1.00 0.00 C ATOM 2076 CD GLN A 132 21.447 26.966 54.613 1.00 0.00 C ATOM 2077 OE1 GLN A 132 22.126 26.866 53.593 1.00 0.00 O ATOM 2078 NE2 GLN A 132 21.506 26.039 55.531 1.00 0.00 N ATOM 0 H GLN A 132 17.466 28.642 52.551 1.00 0.00 H new ATOM 0 HA GLN A 132 18.920 26.223 53.330 1.00 0.00 H new ATOM 0 HB2 GLN A 132 20.101 28.244 52.707 1.00 0.00 H new ATOM 0 HB3 GLN A 132 19.054 29.258 53.681 1.00 0.00 H new ATOM 0 HG2 GLN A 132 21.128 29.083 54.904 1.00 0.00 H new ATOM 0 HG3 GLN A 132 19.984 28.067 55.758 1.00 0.00 H new ATOM 0 HE21 GLN A 132 20.942 26.123 56.377 1.00 0.00 H new ATOM 0 HE22 GLN A 132 22.116 25.232 55.402 1.00 0.00 H new ATOM 2087 N GLN A 133 17.275 27.849 55.670 1.00 0.00 N ATOM 2088 CA GLN A 133 16.758 27.681 57.059 1.00 0.00 C ATOM 2089 C GLN A 133 15.810 26.480 57.153 1.00 0.00 C ATOM 2090 O GLN A 133 15.913 25.663 58.066 1.00 0.00 O ATOM 2091 CB GLN A 133 16.002 28.977 57.364 1.00 0.00 C ATOM 2092 CG GLN A 133 15.790 29.106 58.877 1.00 0.00 C ATOM 2093 CD GLN A 133 16.597 30.291 59.411 1.00 0.00 C ATOM 2094 OE1 GLN A 133 16.797 31.280 58.709 1.00 0.00 O ATOM 2095 NE2 GLN A 133 17.072 30.245 60.626 1.00 0.00 N ATOM 0 H GLN A 133 17.016 28.725 55.215 1.00 0.00 H new ATOM 0 HA GLN A 133 17.566 27.496 57.767 1.00 0.00 H new ATOM 0 HB2 GLN A 133 16.564 29.834 56.991 1.00 0.00 H new ATOM 0 HB3 GLN A 133 15.040 28.978 56.851 1.00 0.00 H new ATOM 0 HG2 GLN A 133 14.731 29.247 59.095 1.00 0.00 H new ATOM 0 HG3 GLN A 133 16.099 28.188 59.377 1.00 0.00 H new ATOM 0 HE21 GLN A 133 16.906 29.424 61.208 1.00 0.00 H new ATOM 0 HE22 GLN A 133 17.610 31.030 60.993 1.00 0.00 H new ATOM 2104 N ALA A 134 14.880 26.361 56.242 1.00 0.00 N ATOM 2105 CA ALA A 134 13.921 25.216 56.304 1.00 0.00 C ATOM 2106 C ALA A 134 14.654 23.885 56.152 1.00 0.00 C ATOM 2107 O ALA A 134 14.618 23.039 57.043 1.00 0.00 O ATOM 2108 CB ALA A 134 12.950 25.437 55.144 1.00 0.00 C ATOM 0 H ALA A 134 14.742 27.003 55.461 1.00 0.00 H new ATOM 0 HA ALA A 134 13.403 25.175 57.262 1.00 0.00 H new ATOM 0 HB1 ALA A 134 12.215 24.632 55.127 1.00 0.00 H new ATOM 0 HB2 ALA A 134 12.440 26.392 55.273 1.00 0.00 H new ATOM 0 HB3 ALA A 134 13.502 25.445 54.204 1.00 0.00 H new ATOM 2114 N TRP A 135 15.324 23.686 55.051 1.00 0.00 N ATOM 2115 CA TRP A 135 16.079 22.407 54.844 1.00 0.00 C ATOM 2116 C TRP A 135 16.861 22.046 56.112 1.00 0.00 C ATOM 2117 O TRP A 135 16.805 20.926 56.611 1.00 0.00 O ATOM 2118 CB TRP A 135 17.050 22.752 53.742 1.00 0.00 C ATOM 2119 CG TRP A 135 16.358 22.943 52.443 1.00 0.00 C ATOM 2120 CD1 TRP A 135 16.970 23.455 51.371 1.00 0.00 C ATOM 2121 CD2 TRP A 135 14.990 22.632 52.036 1.00 0.00 C ATOM 2122 NE1 TRP A 135 16.079 23.498 50.316 1.00 0.00 N ATOM 2123 CE2 TRP A 135 14.842 22.997 50.674 1.00 0.00 C ATOM 2124 CE3 TRP A 135 13.873 22.081 52.696 1.00 0.00 C ATOM 2125 CZ2 TRP A 135 13.637 22.821 49.994 1.00 0.00 C ATOM 2126 CZ3 TRP A 135 12.659 21.905 52.012 1.00 0.00 C ATOM 2127 CH2 TRP A 135 12.542 22.273 50.664 1.00 0.00 C ATOM 0 H TRP A 135 15.384 24.352 54.281 1.00 0.00 H new ATOM 0 HA TRP A 135 15.430 21.563 54.610 1.00 0.00 H new ATOM 0 HB2 TRP A 135 17.590 23.662 54.004 1.00 0.00 H new ATOM 0 HB3 TRP A 135 17.790 21.958 53.647 1.00 0.00 H new ATOM 0 HD1 TRP A 135 17.998 23.783 51.335 1.00 0.00 H new ATOM 0 HE1 TRP A 135 16.306 23.855 49.388 1.00 0.00 H new ATOM 0 HE3 TRP A 135 13.951 21.792 53.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 135 13.552 23.107 48.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 135 11.809 21.483 52.528 1.00 0.00 H new ATOM 0 HH2 TRP A 135 11.606 22.133 50.145 1.00 0.00 H new ATOM 2138 N ARG A 136 17.577 22.997 56.635 1.00 0.00 N ATOM 2139 CA ARG A 136 18.378 22.766 57.886 1.00 0.00 C ATOM 2140 C ARG A 136 17.453 22.332 59.030 1.00 0.00 C ATOM 2141 O ARG A 136 17.798 21.477 59.844 1.00 0.00 O ATOM 2142 CB ARG A 136 19.004 24.136 58.185 1.00 0.00 C ATOM 2143 CG ARG A 136 19.624 24.149 59.585 1.00 0.00 C ATOM 2144 CD ARG A 136 19.887 25.596 60.015 1.00 0.00 C ATOM 2145 NE ARG A 136 21.099 26.014 59.251 1.00 0.00 N ATOM 2146 CZ ARG A 136 21.796 27.062 59.623 1.00 0.00 C ATOM 2147 NH1 ARG A 136 21.446 27.763 60.672 1.00 0.00 N ATOM 2148 NH2 ARG A 136 22.852 27.410 58.939 1.00 0.00 N ATOM 0 H ARG A 136 17.648 23.939 56.251 1.00 0.00 H new ATOM 0 HA ARG A 136 19.127 21.982 57.775 1.00 0.00 H new ATOM 0 HB2 ARG A 136 19.767 24.364 57.441 1.00 0.00 H new ATOM 0 HB3 ARG A 136 18.244 24.914 58.110 1.00 0.00 H new ATOM 0 HG2 ARG A 136 18.955 23.664 60.295 1.00 0.00 H new ATOM 0 HG3 ARG A 136 20.556 23.583 59.587 1.00 0.00 H new ATOM 0 HD2 ARG A 136 19.036 26.237 59.785 1.00 0.00 H new ATOM 0 HD3 ARG A 136 20.056 25.664 61.090 1.00 0.00 H new ATOM 0 HE ARG A 136 21.389 25.480 58.432 1.00 0.00 H new ATOM 0 HH11 ARG A 136 20.622 27.497 61.212 1.00 0.00 H new ATOM 0 HH12 ARG A 136 21.997 28.575 60.950 1.00 0.00 H new ATOM 0 HH21 ARG A 136 23.131 26.869 58.121 1.00 0.00 H new ATOM 0 HH22 ARG A 136 23.398 28.223 59.223 1.00 0.00 H new ATOM 2162 N ALA A 137 16.290 22.919 59.110 1.00 0.00 N ATOM 2163 CA ALA A 137 15.340 22.562 60.202 1.00 0.00 C ATOM 2164 C ALA A 137 14.880 21.112 60.056 1.00 0.00 C ATOM 2165 O ALA A 137 14.675 20.409 61.044 1.00 0.00 O ATOM 2166 CB ALA A 137 14.159 23.518 60.030 1.00 0.00 C ATOM 0 H ALA A 137 15.956 23.633 58.463 1.00 0.00 H new ATOM 0 HA ALA A 137 15.797 22.650 61.188 1.00 0.00 H new ATOM 0 HB1 ALA A 137 13.414 23.318 60.800 1.00 0.00 H new ATOM 0 HB2 ALA A 137 14.507 24.547 60.121 1.00 0.00 H new ATOM 0 HB3 ALA A 137 13.713 23.372 59.046 1.00 0.00 H new ATOM 2172 N ARG A 138 14.723 20.645 58.849 1.00 0.00 N ATOM 2173 CA ARG A 138 14.288 19.232 58.650 1.00 0.00 C ATOM 2174 C ARG A 138 15.497 18.360 58.304 1.00 0.00 C ATOM 2175 O ARG A 138 15.372 17.151 58.116 1.00 0.00 O ATOM 2176 CB ARG A 138 13.307 19.280 57.479 1.00 0.00 C ATOM 2177 CG ARG A 138 12.267 18.169 57.639 1.00 0.00 C ATOM 2178 CD ARG A 138 11.246 18.255 56.501 1.00 0.00 C ATOM 2179 NE ARG A 138 10.071 18.967 57.086 1.00 0.00 N ATOM 2180 CZ ARG A 138 8.979 19.145 56.381 1.00 0.00 C ATOM 2181 NH1 ARG A 138 8.897 18.703 55.151 1.00 0.00 N ATOM 2182 NH2 ARG A 138 7.963 19.769 56.912 1.00 0.00 N ATOM 0 H ARG A 138 14.876 21.178 57.993 1.00 0.00 H new ATOM 0 HA ARG A 138 13.831 18.807 59.543 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.814 20.252 57.443 1.00 0.00 H new ATOM 0 HB3 ARG A 138 13.842 19.159 56.537 1.00 0.00 H new ATOM 0 HG2 ARG A 138 12.756 17.195 57.630 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.764 18.264 58.601 1.00 0.00 H new ATOM 0 HD2 ARG A 138 11.652 18.799 55.648 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.968 17.263 56.144 1.00 0.00 H new ATOM 0 HE ARG A 138 10.118 19.318 58.042 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.688 18.214 54.731 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.043 18.848 54.613 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.021 20.115 57.870 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.111 19.911 56.369 1.00 0.00 H new ATOM 2196 N ARG A 139 16.666 18.942 58.208 1.00 0.00 N ATOM 2197 CA ARG A 139 17.871 18.132 57.864 1.00 0.00 C ATOM 2198 C ARG A 139 19.121 18.747 58.500 1.00 0.00 C ATOM 2199 O ARG A 139 19.000 19.307 59.578 1.00 0.00 O ATOM 2200 CB ARG A 139 17.957 18.193 56.338 1.00 0.00 C ATOM 2201 CG ARG A 139 18.592 16.905 55.808 1.00 0.00 C ATOM 2202 CD ARG A 139 18.632 16.946 54.276 1.00 0.00 C ATOM 2203 NE ARG A 139 18.094 15.624 53.837 1.00 0.00 N ATOM 2204 CZ ARG A 139 16.802 15.401 53.803 1.00 0.00 C ATOM 2205 NH1 ARG A 139 15.949 16.330 54.151 1.00 0.00 N ATOM 2206 NH2 ARG A 139 16.363 14.235 53.416 1.00 0.00 N ATOM 2207 OXT ARG A 139 20.178 18.647 57.899 1.00 0.00 O ATOM 0 H ARG A 139 16.836 19.937 58.352 1.00 0.00 H new ATOM 0 HA ARG A 139 17.803 17.108 58.230 1.00 0.00 H new ATOM 0 HB2 ARG A 139 16.962 18.322 55.912 1.00 0.00 H new ATOM 0 HB3 ARG A 139 18.549 19.055 56.031 1.00 0.00 H new ATOM 0 HG2 ARG A 139 19.601 16.794 56.206 1.00 0.00 H new ATOM 0 HG3 ARG A 139 18.020 16.040 56.144 1.00 0.00 H new ATOM 0 HD2 ARG A 139 18.028 17.766 53.888 1.00 0.00 H new ATOM 0 HD3 ARG A 139 19.648 17.099 53.912 1.00 0.00 H new ATOM 0 HE ARG A 139 18.740 14.885 53.560 1.00 0.00 H new ATOM 0 HH11 ARG A 139 16.286 17.244 54.454 1.00 0.00 H new ATOM 0 HH12 ARG A 139 14.947 16.140 54.119 1.00 0.00 H new ATOM 0 HH21 ARG A 139 17.023 13.506 53.143 1.00 0.00 H new ATOM 0 HH22 ARG A 139 15.360 14.052 53.386 1.00 0.00 H new