USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1144 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: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 82 THR OG1 : rot 180:sc= -1.08 USER MOD Set 2.1: B 53 SER OG : rot -109:sc= -2.59 USER MOD Set 2.2: B 56 GLN : amide:sc= -1.54 X(o=-5.6,f=-6.1) USER MOD Set 2.3: B 87 GLN :FLIP amide:sc= -1.44 F(o=-10!,f=-5.6) USER MOD Set 3.1: B 18 ASN :FLIP amide:sc= -1.37 F(o=-3.5,f=-2) USER MOD Set 3.2: B 30 GLN :FLIP amide:sc= -0.667 F(o=-4.9,f=-2) USER MOD Set 4.1: B 14 ASN : amide:sc= -1.14! C(o=-1.8!,f=-14!) USER MOD Set 4.2: B 34 LYS NZ :NH3+ 150:sc= -0.665 (180deg=-4.28!) USER MOD Set 5.1: A 46 GLN : amide:sc= -3.72! X(o=-3.4!,f=-3.1) USER MOD Set 5.2: A 77 GLN : amide:sc= 0.335 X(o=-3.4,f=-3.1) USER MOD Set 6.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 44 MET CE :methyl -175:sc= -3.47 (180deg=-3.74) USER MOD Single : A 4 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.68) USER MOD Single : A 6 HIS : no HD1:sc= -4.99! C(o=-5!,f=-5.5!) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.63! C(o=-5.4!,f=-2.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 30:sc= 0.0538 USER MOD Single : A 20 GLN :FLIP amide:sc= -2.73! C(o=-3.8!,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 0.0278 (180deg=-0.315) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -1.02 F(o=-2.8,f=-1) USER MOD Single : A 27 THR OG1 : rot -160:sc= -1.9! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 154:sc= -1.98 (180deg=-3.95) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 23:sc= -2.78! USER MOD Single : A 37 CYS SG : rot -80:sc= -3.91! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 57 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.0053) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00744 USER MOD Single : A 61 THR OG1 : rot 110:sc= 0.312 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 152:sc= -7.67! (180deg=-11.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 78 GLN : amide:sc= -0.0257 X(o=-0.026,f=-0.17) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -0.759 F(o=-3.3,f=-0.76) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 HIS : no HD1:sc= -1.19! C(o=-1.2!,f=-1.5!) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 73:sc= 0.258 USER MOD Single : B 41 LYS NZ :NH3+ 176:sc= -0.0682 (180deg=-0.0931) USER MOD Single : B 43 MET CE :methyl 168:sc= -7.33! (180deg=-7.68!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 TYR OH : rot 100:sc=-0.00348 USER MOD Single : B 47 CYS SG : rot 60:sc= -14.1! USER MOD Single : B 50 GLN :FLIP amide:sc= -8.73! C(o=-13!,f=-8.7!) USER MOD Single : B 54 MET CE :methyl 148:sc= -0.148 (180deg=-1.31) USER MOD Single : B 64 GLN :FLIP amide:sc= -9.19! C(o=-16!,f=-9.2!) USER MOD Single : B 67 ASN : amide:sc= -0.906 K(o=-0.91,f=-3.2!) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 91:sc= 0.913 USER MOD Single : B 74 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.12) USER MOD Single : B 77 MET CE :methyl 152:sc= -4.19! (180deg=-5.22!) USER MOD Single : B 88 GLN : amide:sc= -0.0987 X(o=-0.099,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 4 289.497 -13.780 -10.455 1.00 0.00 N ATOM 40 CA ASN A 4 289.512 -12.483 -9.798 1.00 0.00 C ATOM 41 C ASN A 4 288.311 -12.327 -8.868 1.00 0.00 C ATOM 42 O ASN A 4 287.800 -11.226 -8.689 1.00 0.00 O ATOM 43 CB ASN A 4 289.542 -11.351 -10.835 1.00 0.00 C ATOM 44 CG ASN A 4 288.166 -10.994 -11.369 1.00 0.00 C ATOM 45 OD1 ASN A 4 287.600 -11.713 -12.194 1.00 0.00 O ATOM 46 ND2 ASN A 4 287.622 -9.877 -10.898 1.00 0.00 N ATOM 0 HA ASN A 4 290.418 -12.422 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 4 289.991 -10.466 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 4 290.182 -11.645 -11.666 1.00 0.00 H new ATOM 0 HD21 ASN A 4 286.699 -9.584 -11.219 1.00 0.00 H new ATOM 0 HD22 ASN A 4 288.127 -9.312 -10.215 1.00 0.00 H new ATOM 53 N ASP A 5 287.886 -13.431 -8.256 1.00 0.00 N ATOM 54 CA ASP A 5 286.767 -13.405 -7.322 1.00 0.00 C ATOM 55 C ASP A 5 287.303 -13.253 -5.911 1.00 0.00 C ATOM 56 O ASP A 5 288.482 -12.952 -5.729 1.00 0.00 O ATOM 57 CB ASP A 5 285.930 -14.680 -7.441 1.00 0.00 C ATOM 58 CG ASP A 5 284.443 -14.409 -7.323 1.00 0.00 C ATOM 59 OD1 ASP A 5 283.965 -14.203 -6.188 1.00 0.00 O ATOM 60 OD2 ASP A 5 283.755 -14.404 -8.366 1.00 0.00 O ATOM 0 H ASP A 5 288.301 -14.353 -8.391 1.00 0.00 H new ATOM 0 HA ASP A 5 286.121 -12.560 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 5 286.135 -15.157 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 5 286.231 -15.383 -6.664 1.00 0.00 H new ATOM 65 N HIS A 6 286.455 -13.452 -4.909 1.00 0.00 N ATOM 66 CA HIS A 6 286.902 -13.310 -3.545 1.00 0.00 C ATOM 67 C HIS A 6 287.451 -14.594 -2.963 1.00 0.00 C ATOM 68 O HIS A 6 287.115 -15.700 -3.386 1.00 0.00 O ATOM 69 CB HIS A 6 285.791 -12.865 -2.616 1.00 0.00 C ATOM 70 CG HIS A 6 285.303 -11.474 -2.793 1.00 0.00 C ATOM 71 ND1 HIS A 6 284.542 -11.055 -3.862 1.00 0.00 N ATOM 72 CD2 HIS A 6 285.441 -10.408 -1.981 1.00 0.00 C ATOM 73 CE1 HIS A 6 284.230 -9.782 -3.700 1.00 0.00 C ATOM 74 NE2 HIS A 6 284.764 -9.363 -2.566 1.00 0.00 N ATOM 0 H HIS A 6 285.474 -13.707 -5.020 1.00 0.00 H new ATOM 0 HA HIS A 6 287.687 -12.556 -3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 6 284.947 -13.543 -2.743 1.00 0.00 H new ATOM 0 HB3 HIS A 6 286.138 -12.978 -1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 6 285.982 -10.379 -1.046 1.00 0.00 H new ATOM 0 HE1 HIS A 6 283.639 -9.185 -4.379 1.00 0.00 H new ATOM 0 HE2 HIS A 6 284.687 -8.419 -2.187 1.00 0.00 H new ATOM 83 N ILE A 7 288.243 -14.399 -1.924 1.00 0.00 N ATOM 84 CA ILE A 7 288.831 -15.471 -1.149 1.00 0.00 C ATOM 85 C ILE A 7 289.150 -14.912 0.216 1.00 0.00 C ATOM 86 O ILE A 7 289.562 -13.762 0.332 1.00 0.00 O ATOM 87 CB ILE A 7 290.101 -16.080 -1.793 1.00 0.00 C ATOM 88 CG1 ILE A 7 291.364 -15.346 -1.346 1.00 0.00 C ATOM 89 CG2 ILE A 7 289.999 -16.062 -3.304 1.00 0.00 C ATOM 90 CD1 ILE A 7 292.622 -15.919 -1.950 1.00 0.00 C ATOM 0 H ILE A 7 288.499 -13.470 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 7 288.116 -16.292 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 7 290.172 -17.114 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 7 291.283 -14.294 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 7 291.437 -15.388 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 7 290.902 -16.494 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 7 289.133 -16.645 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 7 289.889 -15.034 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 7 293.485 -15.356 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 7 292.724 -16.963 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 7 292.567 -15.852 -3.037 1.00 0.00 H new ATOM 102 N ASN A 8 288.917 -15.697 1.243 1.00 0.00 N ATOM 103 CA ASN A 8 289.131 -15.222 2.602 1.00 0.00 C ATOM 104 C ASN A 8 290.605 -15.371 3.021 1.00 0.00 C ATOM 105 O ASN A 8 291.233 -16.388 2.733 1.00 0.00 O ATOM 106 CB ASN A 8 288.243 -16.014 3.569 1.00 0.00 C ATOM 107 CG ASN A 8 287.319 -15.123 4.376 1.00 0.00 C ATOM 108 OD1 ASN A 8 287.883 -14.091 4.987 1.00 0.00 O flip ATOM 109 ND2 ASN A 8 286.113 -15.362 4.448 1.00 0.00 N flip ATOM 0 H ASN A 8 288.583 -16.658 1.171 1.00 0.00 H new ATOM 0 HA ASN A 8 288.871 -14.164 2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 8 287.648 -16.732 3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 8 288.874 -16.587 4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 8 285.723 -16.169 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 8 285.504 -14.753 4.995 1.00 0.00 H new ATOM 116 N LEU A 9 291.156 -14.366 3.712 1.00 0.00 N ATOM 117 CA LEU A 9 292.535 -14.417 4.167 1.00 0.00 C ATOM 118 C LEU A 9 292.603 -14.313 5.671 1.00 0.00 C ATOM 119 O LEU A 9 291.921 -13.489 6.279 1.00 0.00 O ATOM 120 CB LEU A 9 293.361 -13.275 3.573 1.00 0.00 C ATOM 121 CG LEU A 9 294.103 -13.585 2.264 1.00 0.00 C ATOM 122 CD1 LEU A 9 293.852 -15.018 1.791 1.00 0.00 C ATOM 123 CD2 LEU A 9 293.682 -12.603 1.189 1.00 0.00 C ATOM 0 H LEU A 9 290.661 -13.511 3.964 1.00 0.00 H new ATOM 0 HA LEU A 9 292.943 -15.372 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 9 292.698 -12.427 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 9 294.094 -12.960 4.316 1.00 0.00 H new ATOM 0 HG LEU A 9 295.171 -13.484 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 9 294.395 -15.195 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 9 294.197 -15.718 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 9 292.785 -15.163 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 9 294.212 -12.828 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 9 292.608 -12.685 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 9 293.923 -11.589 1.508 1.00 0.00 H new ATOM 135 N LYS A 10 293.451 -15.124 6.263 1.00 0.00 N ATOM 136 CA LYS A 10 293.627 -15.089 7.698 1.00 0.00 C ATOM 137 C LYS A 10 294.869 -14.307 8.030 1.00 0.00 C ATOM 138 O LYS A 10 295.970 -14.791 7.811 1.00 0.00 O ATOM 139 CB LYS A 10 293.829 -16.498 8.206 1.00 0.00 C ATOM 140 CG LYS A 10 292.556 -17.223 8.569 1.00 0.00 C ATOM 141 CD LYS A 10 292.782 -18.716 8.537 1.00 0.00 C ATOM 142 CE LYS A 10 293.778 -19.148 9.608 1.00 0.00 C ATOM 143 NZ LYS A 10 293.094 -19.628 10.840 1.00 0.00 N ATOM 0 H LYS A 10 294.026 -15.812 5.777 1.00 0.00 H new ATOM 0 HA LYS A 10 292.749 -14.631 8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 10 294.355 -17.073 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 294.476 -16.465 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 10 292.225 -16.919 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 10 291.763 -16.952 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 10 291.834 -19.233 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 293.151 -19.009 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 10 294.414 -19.940 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 10 294.429 -18.310 9.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 293.805 -19.912 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 292.506 -18.864 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 292.492 -20.443 10.607 1.00 0.00 H new ATOM 157 N VAL A 11 294.724 -13.131 8.586 1.00 0.00 N ATOM 158 CA VAL A 11 295.892 -12.364 8.936 1.00 0.00 C ATOM 159 C VAL A 11 296.235 -12.624 10.396 1.00 0.00 C ATOM 160 O VAL A 11 295.418 -12.396 11.271 1.00 0.00 O ATOM 161 CB VAL A 11 295.702 -10.871 8.629 1.00 0.00 C ATOM 162 CG1 VAL A 11 294.355 -10.372 9.090 1.00 0.00 C ATOM 163 CG2 VAL A 11 296.821 -10.053 9.217 1.00 0.00 C ATOM 0 H VAL A 11 293.830 -12.691 8.802 1.00 0.00 H new ATOM 0 HA VAL A 11 296.735 -12.683 8.323 1.00 0.00 H new ATOM 0 HB VAL A 11 295.733 -10.753 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 11 294.260 -9.312 8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 11 293.567 -10.929 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 11 294.263 -10.514 10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 11 296.662 -9.000 8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 11 296.841 -10.188 10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 11 297.771 -10.379 8.794 1.00 0.00 H new ATOM 173 N ALA A 12 297.453 -13.105 10.633 1.00 0.00 N ATOM 174 CA ALA A 12 297.918 -13.425 11.987 1.00 0.00 C ATOM 175 C ALA A 12 298.852 -12.348 12.523 1.00 0.00 C ATOM 176 O ALA A 12 299.745 -11.890 11.822 1.00 0.00 O ATOM 177 CB ALA A 12 298.574 -14.798 11.998 1.00 0.00 C ATOM 0 H ALA A 12 298.142 -13.284 9.902 1.00 0.00 H new ATOM 0 HA ALA A 12 297.057 -13.452 12.655 1.00 0.00 H new ATOM 0 HB1 ALA A 12 298.917 -15.029 13.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 297.851 -15.549 11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 12 299.424 -14.800 11.316 1.00 0.00 H new ATOM 183 N GLY A 13 298.628 -11.937 13.772 1.00 0.00 N ATOM 184 CA GLY A 13 299.438 -10.889 14.373 1.00 0.00 C ATOM 185 C GLY A 13 300.601 -11.382 15.199 1.00 0.00 C ATOM 186 O GLY A 13 300.954 -10.750 16.194 1.00 0.00 O ATOM 0 H GLY A 13 297.899 -12.313 14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 13 299.820 -10.246 13.581 1.00 0.00 H new ATOM 0 HA3 GLY A 13 298.798 -10.272 15.004 1.00 0.00 H new ATOM 226 N SER A 17 296.938 -13.885 17.239 1.00 0.00 N ATOM 227 CA SER A 17 295.687 -13.247 16.867 1.00 0.00 C ATOM 228 C SER A 17 295.655 -12.996 15.367 1.00 0.00 C ATOM 229 O SER A 17 296.333 -12.106 14.858 1.00 0.00 O ATOM 230 CB SER A 17 295.510 -11.930 17.625 1.00 0.00 C ATOM 231 OG SER A 17 295.499 -12.144 19.026 1.00 0.00 O ATOM 0 HA SER A 17 294.866 -13.912 17.133 1.00 0.00 H new ATOM 0 HB2 SER A 17 296.318 -11.246 17.365 1.00 0.00 H new ATOM 0 HB3 SER A 17 294.578 -11.454 17.320 1.00 0.00 H new ATOM 0 HG SER A 17 296.046 -12.928 19.241 1.00 0.00 H new ATOM 237 N VAL A 18 294.851 -13.782 14.672 1.00 0.00 N ATOM 238 CA VAL A 18 294.695 -13.665 13.228 1.00 0.00 C ATOM 239 C VAL A 18 293.282 -13.153 12.918 1.00 0.00 C ATOM 240 O VAL A 18 292.422 -13.143 13.797 1.00 0.00 O ATOM 241 CB VAL A 18 294.974 -15.021 12.517 1.00 0.00 C ATOM 242 CG1 VAL A 18 294.713 -16.202 13.438 1.00 0.00 C ATOM 243 CG2 VAL A 18 294.178 -15.159 11.232 1.00 0.00 C ATOM 0 H VAL A 18 294.286 -14.521 15.091 1.00 0.00 H new ATOM 0 HA VAL A 18 295.426 -12.953 12.845 1.00 0.00 H new ATOM 0 HB VAL A 18 296.032 -15.025 12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 294.919 -17.131 12.906 1.00 0.00 H new ATOM 0 HG12 VAL A 18 295.362 -16.133 14.311 1.00 0.00 H new ATOM 0 HG13 VAL A 18 293.671 -16.190 13.758 1.00 0.00 H new ATOM 0 HG21 VAL A 18 294.402 -16.119 10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 18 293.113 -15.104 11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 18 294.447 -14.353 10.549 1.00 0.00 H new ATOM 253 N VAL A 19 293.041 -12.719 11.682 1.00 0.00 N ATOM 254 CA VAL A 19 291.728 -12.204 11.303 1.00 0.00 C ATOM 255 C VAL A 19 291.381 -12.664 9.902 1.00 0.00 C ATOM 256 O VAL A 19 292.261 -12.812 9.060 1.00 0.00 O ATOM 257 CB VAL A 19 291.679 -10.664 11.356 1.00 0.00 C ATOM 258 CG1 VAL A 19 290.272 -10.135 11.119 1.00 0.00 C ATOM 259 CG2 VAL A 19 292.203 -10.149 12.679 1.00 0.00 C ATOM 0 H VAL A 19 293.732 -12.714 10.932 1.00 0.00 H new ATOM 0 HA VAL A 19 291.004 -12.593 12.019 1.00 0.00 H new ATOM 0 HB VAL A 19 292.320 -10.299 10.554 1.00 0.00 H new ATOM 0 HG11 VAL A 19 290.280 -9.046 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 19 289.924 -10.455 10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 19 289.603 -10.525 11.886 1.00 0.00 H new ATOM 0 HG21 VAL A 19 292.157 -9.060 12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 19 291.594 -10.546 13.491 1.00 0.00 H new ATOM 0 HG23 VAL A 19 293.236 -10.470 12.811 1.00 0.00 H new ATOM 269 N GLN A 20 290.105 -12.891 9.648 1.00 0.00 N ATOM 270 CA GLN A 20 289.684 -13.342 8.335 1.00 0.00 C ATOM 271 C GLN A 20 289.258 -12.180 7.465 1.00 0.00 C ATOM 272 O GLN A 20 288.585 -11.252 7.918 1.00 0.00 O ATOM 273 CB GLN A 20 288.556 -14.363 8.457 1.00 0.00 C ATOM 274 CG GLN A 20 288.940 -15.560 9.306 1.00 0.00 C ATOM 275 CD GLN A 20 289.001 -16.852 8.517 1.00 0.00 C ATOM 276 OE1 GLN A 20 289.831 -17.781 8.974 1.00 0.00 O flip ATOM 277 NE2 GLN A 20 288.311 -17.013 7.510 1.00 0.00 N flip ATOM 0 H GLN A 20 289.351 -12.772 10.324 1.00 0.00 H new ATOM 0 HA GLN A 20 290.538 -13.821 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 20 287.680 -13.881 8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 20 288.271 -14.705 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 20 289.911 -15.376 9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 20 288.219 -15.670 10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 20 287.687 -16.270 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 288.364 -17.889 6.990 1.00 0.00 H new ATOM 286 N PHE A 21 289.641 -12.249 6.203 1.00 0.00 N ATOM 287 CA PHE A 21 289.291 -11.217 5.250 1.00 0.00 C ATOM 288 C PHE A 21 289.266 -11.758 3.855 1.00 0.00 C ATOM 289 O PHE A 21 290.306 -12.096 3.291 1.00 0.00 O ATOM 290 CB PHE A 21 290.294 -10.085 5.267 1.00 0.00 C ATOM 291 CG PHE A 21 290.405 -9.410 6.579 1.00 0.00 C ATOM 292 CD1 PHE A 21 289.407 -8.566 7.021 1.00 0.00 C ATOM 293 CD2 PHE A 21 291.517 -9.610 7.366 1.00 0.00 C ATOM 294 CE1 PHE A 21 289.521 -7.933 8.233 1.00 0.00 C ATOM 295 CE2 PHE A 21 291.636 -8.974 8.576 1.00 0.00 C ATOM 296 CZ PHE A 21 290.641 -8.139 9.008 1.00 0.00 C ATOM 0 H PHE A 21 290.196 -13.012 5.816 1.00 0.00 H new ATOM 0 HA PHE A 21 288.305 -10.855 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 21 291.272 -10.474 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 21 290.013 -9.350 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 21 288.532 -8.403 6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 21 292.301 -10.272 7.029 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.736 -7.276 8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 21 292.513 -9.132 9.186 1.00 0.00 H new ATOM 0 HZ PHE A 21 290.735 -7.639 9.961 1.00 0.00 H new ATOM 306 N LYS A 22 288.100 -11.782 3.271 1.00 0.00 N ATOM 307 CA LYS A 22 287.986 -12.224 1.913 1.00 0.00 C ATOM 308 C LYS A 22 287.810 -11.021 1.029 1.00 0.00 C ATOM 309 O LYS A 22 286.917 -10.197 1.234 1.00 0.00 O ATOM 310 CB LYS A 22 286.914 -13.280 1.741 1.00 0.00 C ATOM 311 CG LYS A 22 285.789 -12.840 0.938 1.00 0.00 C ATOM 312 CD LYS A 22 284.716 -13.914 0.872 1.00 0.00 C ATOM 313 CE LYS A 22 284.602 -14.516 -0.511 1.00 0.00 C ATOM 314 NZ LYS A 22 283.923 -15.841 -0.484 1.00 0.00 N ATOM 0 H LYS A 22 287.223 -11.503 3.711 1.00 0.00 H new ATOM 0 HA LYS A 22 288.903 -12.730 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 22 287.356 -14.163 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 22 286.552 -13.582 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 22 285.370 -11.927 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 22 286.129 -12.597 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 22 284.945 -14.700 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 22 283.756 -13.486 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 22 284.047 -13.837 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 22 285.597 -14.626 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 283.864 -16.221 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 284.466 -16.497 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 282.964 -15.732 -0.096 1.00 0.00 H new ATOM 328 N ILE A 23 288.712 -10.905 0.075 1.00 0.00 N ATOM 329 CA ILE A 23 288.725 -9.785 -0.823 1.00 0.00 C ATOM 330 C ILE A 23 289.210 -10.227 -2.202 1.00 0.00 C ATOM 331 O ILE A 23 290.228 -10.907 -2.331 1.00 0.00 O ATOM 332 CB ILE A 23 289.591 -8.644 -0.217 1.00 0.00 C ATOM 333 CG1 ILE A 23 290.512 -7.999 -1.252 1.00 0.00 C ATOM 334 CG2 ILE A 23 290.394 -9.160 0.975 1.00 0.00 C ATOM 335 CD1 ILE A 23 291.966 -7.939 -0.833 1.00 0.00 C ATOM 0 H ILE A 23 289.452 -11.587 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 23 287.716 -9.393 -0.954 1.00 0.00 H new ATOM 0 HB ILE A 23 288.907 -7.867 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 23 290.437 -8.555 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 23 290.161 -6.987 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 23 290.995 -8.349 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 23 289.712 -9.532 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 23 291.049 -9.968 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 23 292.553 -7.468 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 23 292.057 -7.357 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 23 292.337 -8.949 -0.659 1.00 0.00 H new ATOM 347 N LYS A 24 288.436 -9.847 -3.213 1.00 0.00 N ATOM 348 CA LYS A 24 288.718 -10.199 -4.606 1.00 0.00 C ATOM 349 C LYS A 24 290.212 -10.385 -4.836 1.00 0.00 C ATOM 350 O LYS A 24 291.026 -9.608 -4.337 1.00 0.00 O ATOM 351 CB LYS A 24 288.135 -9.162 -5.532 1.00 0.00 C ATOM 352 CG LYS A 24 286.624 -9.250 -5.547 1.00 0.00 C ATOM 353 CD LYS A 24 286.127 -10.251 -6.571 1.00 0.00 C ATOM 354 CE LYS A 24 285.827 -9.590 -7.898 1.00 0.00 C ATOM 355 NZ LYS A 24 284.976 -10.447 -8.770 1.00 0.00 N ATOM 0 H LYS A 24 287.593 -9.285 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 24 288.242 -11.154 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 24 288.443 -8.167 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 24 288.523 -9.308 -6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 24 286.267 -9.535 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 24 286.205 -8.268 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 286.877 -11.029 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 24 285.228 -10.740 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 24 285.324 -8.639 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 24 286.762 -9.367 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 284.559 -9.867 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 285.558 -11.199 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 284.217 -10.874 -8.202 1.00 0.00 H new ATOM 369 N ARG A 25 290.573 -11.441 -5.555 1.00 0.00 N ATOM 370 CA ARG A 25 291.972 -11.754 -5.803 1.00 0.00 C ATOM 371 C ARG A 25 292.721 -10.589 -6.426 1.00 0.00 C ATOM 372 O ARG A 25 293.831 -10.273 -6.010 1.00 0.00 O ATOM 373 CB ARG A 25 292.094 -12.977 -6.705 1.00 0.00 C ATOM 374 CG ARG A 25 291.678 -14.280 -6.049 1.00 0.00 C ATOM 375 CD ARG A 25 292.539 -15.435 -6.539 1.00 0.00 C ATOM 376 NE ARG A 25 292.460 -16.597 -5.658 1.00 0.00 N ATOM 377 CZ ARG A 25 292.606 -17.855 -6.071 1.00 0.00 C ATOM 378 NH1 ARG A 25 292.867 -18.120 -7.345 1.00 0.00 N ATOM 379 NH2 ARG A 25 292.499 -18.852 -5.204 1.00 0.00 N ATOM 0 H ARG A 25 289.914 -12.095 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 25 292.425 -11.964 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 25 291.484 -12.820 -7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 25 293.128 -13.066 -7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 25 291.765 -14.190 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 25 290.630 -14.484 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 25 292.223 -15.720 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 25 293.576 -15.107 -6.612 1.00 0.00 H new ATOM 0 HE ARG A 25 292.282 -16.436 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 25 292.957 -17.357 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 25 292.977 -19.086 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 25 292.305 -18.655 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 25 292.611 -19.816 -5.519 1.00 0.00 H new ATOM 393 N HIS A 26 292.131 -9.959 -7.430 1.00 0.00 N ATOM 394 CA HIS A 26 292.787 -8.843 -8.090 1.00 0.00 C ATOM 395 C HIS A 26 292.654 -7.558 -7.286 1.00 0.00 C ATOM 396 O HIS A 26 292.773 -6.464 -7.838 1.00 0.00 O ATOM 397 CB HIS A 26 292.228 -8.627 -9.492 1.00 0.00 C ATOM 398 CG HIS A 26 292.567 -9.727 -10.449 1.00 0.00 C ATOM 399 ND1 HIS A 26 292.522 -11.072 -10.306 1.00 0.00 N flip ATOM 400 CD2 HIS A 26 293.018 -9.495 -11.732 1.00 0.00 C flip ATOM 401 CE1 HIS A 26 292.942 -11.622 -11.492 1.00 0.00 C flip ATOM 402 NE2 HIS A 26 293.235 -10.649 -12.335 1.00 0.00 N flip ATOM 0 H HIS A 26 291.211 -10.198 -7.801 1.00 0.00 H new ATOM 0 HA HIS A 26 293.844 -9.098 -8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 26 291.144 -8.531 -9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 26 292.610 -7.685 -9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 26 293.170 -8.521 -12.174 1.00 0.00 H new ATOM 0 HE1 HIS A 26 293.020 -12.679 -11.701 1.00 0.00 H new ATOM 0 HE2 HIS A 26 293.572 -10.769 -13.290 1.00 0.00 H new ATOM 411 N THR A 27 292.438 -7.680 -5.980 1.00 0.00 N ATOM 412 CA THR A 27 292.330 -6.510 -5.130 1.00 0.00 C ATOM 413 C THR A 27 293.595 -6.355 -4.316 1.00 0.00 C ATOM 414 O THR A 27 294.177 -7.342 -3.868 1.00 0.00 O ATOM 415 CB THR A 27 291.145 -6.613 -4.175 1.00 0.00 C ATOM 416 OG1 THR A 27 289.939 -6.736 -4.884 1.00 0.00 O ATOM 417 CG2 THR A 27 291.029 -5.414 -3.248 1.00 0.00 C ATOM 0 H THR A 27 292.336 -8.571 -5.495 1.00 0.00 H new ATOM 0 HA THR A 27 292.180 -5.646 -5.777 1.00 0.00 H new ATOM 0 HB THR A 27 291.328 -7.502 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 27 289.191 -6.486 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 27 290.168 -5.543 -2.592 1.00 0.00 H new ATOM 0 HG22 THR A 27 291.934 -5.330 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 27 290.901 -4.508 -3.840 1.00 0.00 H new ATOM 425 N PRO A 28 294.027 -5.121 -4.078 1.00 0.00 N ATOM 426 CA PRO A 28 295.211 -4.874 -3.284 1.00 0.00 C ATOM 427 C PRO A 28 294.940 -5.189 -1.829 1.00 0.00 C ATOM 428 O PRO A 28 294.058 -4.600 -1.204 1.00 0.00 O ATOM 429 CB PRO A 28 295.498 -3.382 -3.484 1.00 0.00 C ATOM 430 CG PRO A 28 294.539 -2.912 -4.531 1.00 0.00 C ATOM 431 CD PRO A 28 293.394 -3.877 -4.524 1.00 0.00 C ATOM 0 HA PRO A 28 296.057 -5.495 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 28 295.361 -2.831 -2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 28 296.529 -3.222 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 28 294.195 -1.900 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 28 295.017 -2.884 -5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 28 292.601 -3.560 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 28 292.946 -3.982 -5.512 1.00 0.00 H new ATOM 439 N LEU A 29 295.700 -6.130 -1.297 1.00 0.00 N ATOM 440 CA LEU A 29 295.548 -6.546 0.086 1.00 0.00 C ATOM 441 C LEU A 29 295.546 -5.348 1.029 1.00 0.00 C ATOM 442 O LEU A 29 295.097 -5.456 2.170 1.00 0.00 O ATOM 443 CB LEU A 29 296.654 -7.528 0.457 1.00 0.00 C ATOM 444 CG LEU A 29 296.594 -8.844 -0.314 1.00 0.00 C ATOM 445 CD1 LEU A 29 297.962 -9.494 -0.397 1.00 0.00 C ATOM 446 CD2 LEU A 29 295.585 -9.783 0.323 1.00 0.00 C ATOM 0 H LEU A 29 296.433 -6.623 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 29 294.584 -7.044 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 29 297.620 -7.057 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 296.596 -7.740 1.525 1.00 0.00 H new ATOM 0 HG LEU A 29 296.270 -8.628 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 29 297.887 -10.429 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 29 298.653 -8.823 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 29 298.330 -9.697 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 29 295.553 -10.717 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 29 295.878 -9.987 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 29 294.599 -9.319 0.312 1.00 0.00 H new ATOM 458 N SER A 30 296.027 -4.196 0.543 1.00 0.00 N ATOM 459 CA SER A 30 296.053 -2.974 1.343 1.00 0.00 C ATOM 460 C SER A 30 294.729 -2.773 2.077 1.00 0.00 C ATOM 461 O SER A 30 294.674 -2.080 3.092 1.00 0.00 O ATOM 462 CB SER A 30 296.352 -1.759 0.456 1.00 0.00 C ATOM 463 OG SER A 30 295.765 -0.579 0.980 1.00 0.00 O ATOM 0 H SER A 30 296.402 -4.089 -0.400 1.00 0.00 H new ATOM 0 HA SER A 30 296.846 -3.074 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 30 297.430 -1.624 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 30 295.974 -1.939 -0.550 1.00 0.00 H new ATOM 0 HG SER A 30 295.974 0.178 0.394 1.00 0.00 H new ATOM 469 N LYS A 31 293.666 -3.406 1.578 1.00 0.00 N ATOM 470 CA LYS A 31 292.367 -3.310 2.212 1.00 0.00 C ATOM 471 C LYS A 31 292.301 -4.275 3.384 1.00 0.00 C ATOM 472 O LYS A 31 292.067 -3.869 4.522 1.00 0.00 O ATOM 473 CB LYS A 31 291.269 -3.614 1.212 1.00 0.00 C ATOM 474 CG LYS A 31 290.031 -2.763 1.401 1.00 0.00 C ATOM 475 CD LYS A 31 289.408 -2.409 0.062 1.00 0.00 C ATOM 476 CE LYS A 31 289.964 -1.107 -0.489 1.00 0.00 C ATOM 477 NZ LYS A 31 288.885 -0.178 -0.924 1.00 0.00 N ATOM 0 H LYS A 31 293.687 -3.987 0.740 1.00 0.00 H new ATOM 0 HA LYS A 31 292.222 -2.294 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 31 291.654 -3.463 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 31 290.994 -4.666 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 31 289.306 -3.299 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 31 290.290 -1.851 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 31 289.593 -3.214 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 31 288.327 -2.325 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 31 290.574 -0.622 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 31 290.620 -1.321 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 289.308 0.697 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 288.318 -0.629 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 288.274 0.048 -0.113 1.00 0.00 H new ATOM 491 N LEU A 32 292.533 -5.560 3.102 1.00 0.00 N ATOM 492 CA LEU A 32 292.533 -6.600 4.127 1.00 0.00 C ATOM 493 C LEU A 32 293.291 -6.111 5.365 1.00 0.00 C ATOM 494 O LEU A 32 292.796 -6.210 6.488 1.00 0.00 O ATOM 495 CB LEU A 32 293.165 -7.864 3.510 1.00 0.00 C ATOM 496 CG LEU A 32 293.586 -9.006 4.447 1.00 0.00 C ATOM 497 CD1 LEU A 32 293.394 -10.335 3.757 1.00 0.00 C ATOM 498 CD2 LEU A 32 295.035 -8.850 4.860 1.00 0.00 C ATOM 0 H LEU A 32 292.725 -5.904 2.161 1.00 0.00 H new ATOM 0 HA LEU A 32 291.521 -6.837 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 32 292.456 -8.271 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 294.047 -7.554 2.949 1.00 0.00 H new ATOM 0 HG LEU A 32 292.962 -8.968 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 32 293.695 -11.140 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 292.344 -10.458 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 294.004 -10.368 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 32 295.314 -9.668 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 32 295.670 -8.868 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 32 295.165 -7.901 5.380 1.00 0.00 H new ATOM 510 N MET A 33 294.490 -5.568 5.144 1.00 0.00 N ATOM 511 CA MET A 33 295.309 -5.044 6.238 1.00 0.00 C ATOM 512 C MET A 33 294.642 -3.847 6.906 1.00 0.00 C ATOM 513 O MET A 33 294.761 -3.656 8.117 1.00 0.00 O ATOM 514 CB MET A 33 296.720 -4.647 5.783 1.00 0.00 C ATOM 515 CG MET A 33 296.970 -4.814 4.314 1.00 0.00 C ATOM 516 SD MET A 33 298.411 -3.890 3.747 1.00 0.00 S ATOM 517 CE MET A 33 299.668 -5.158 3.791 1.00 0.00 C ATOM 0 H MET A 33 294.914 -5.480 4.220 1.00 0.00 H new ATOM 0 HA MET A 33 295.401 -5.858 6.957 1.00 0.00 H new ATOM 0 HB2 MET A 33 296.895 -3.605 6.052 1.00 0.00 H new ATOM 0 HB3 MET A 33 297.447 -5.245 6.333 1.00 0.00 H new ATOM 0 HG2 MET A 33 297.110 -5.872 4.091 1.00 0.00 H new ATOM 0 HG3 MET A 33 296.091 -4.485 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 33 300.453 -4.917 3.074 1.00 0.00 H new ATOM 0 HE2 MET A 33 300.095 -5.212 4.792 1.00 0.00 H new ATOM 0 HE3 MET A 33 299.224 -6.120 3.534 1.00 0.00 H new ATOM 527 N LYS A 34 293.940 -3.044 6.117 1.00 0.00 N ATOM 528 CA LYS A 34 293.257 -1.872 6.651 1.00 0.00 C ATOM 529 C LYS A 34 292.167 -2.295 7.624 1.00 0.00 C ATOM 530 O LYS A 34 291.817 -1.554 8.543 1.00 0.00 O ATOM 531 CB LYS A 34 292.666 -1.027 5.523 1.00 0.00 C ATOM 532 CG LYS A 34 293.663 -0.058 4.914 1.00 0.00 C ATOM 533 CD LYS A 34 293.804 1.196 5.759 1.00 0.00 C ATOM 534 CE LYS A 34 294.083 2.419 4.900 1.00 0.00 C ATOM 535 NZ LYS A 34 295.033 3.357 5.558 1.00 0.00 N ATOM 0 H LYS A 34 293.829 -3.181 5.112 1.00 0.00 H new ATOM 0 HA LYS A 34 293.987 -1.264 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 34 292.289 -1.688 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 34 291.813 -0.467 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 34 294.634 -0.545 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 34 293.341 0.213 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 34 292.891 1.354 6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 34 294.613 1.063 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 34 294.492 2.103 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 34 293.147 2.937 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 295.196 4.177 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 294.632 3.680 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 295.935 2.871 5.733 1.00 0.00 H new ATOM 549 N ALA A 35 291.651 -3.502 7.430 1.00 0.00 N ATOM 550 CA ALA A 35 290.623 -4.047 8.298 1.00 0.00 C ATOM 551 C ALA A 35 291.270 -4.589 9.570 1.00 0.00 C ATOM 552 O ALA A 35 290.831 -4.291 10.679 1.00 0.00 O ATOM 553 CB ALA A 35 289.850 -5.119 7.543 1.00 0.00 C ATOM 0 H ALA A 35 291.932 -4.124 6.672 1.00 0.00 H new ATOM 0 HA ALA A 35 289.916 -3.272 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 35 289.076 -5.533 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 35 289.388 -4.680 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 35 290.532 -5.913 7.239 1.00 0.00 H new ATOM 559 N TYR A 36 292.357 -5.336 9.395 1.00 0.00 N ATOM 560 CA TYR A 36 293.128 -5.870 10.518 1.00 0.00 C ATOM 561 C TYR A 36 293.573 -4.712 11.394 1.00 0.00 C ATOM 562 O TYR A 36 293.563 -4.799 12.622 1.00 0.00 O ATOM 563 CB TYR A 36 294.362 -6.592 9.975 1.00 0.00 C ATOM 564 CG TYR A 36 295.163 -7.301 11.028 1.00 0.00 C ATOM 565 CD1 TYR A 36 294.560 -8.254 11.817 1.00 0.00 C ATOM 566 CD2 TYR A 36 296.513 -7.022 11.237 1.00 0.00 C ATOM 567 CE1 TYR A 36 295.265 -8.921 12.787 1.00 0.00 C ATOM 568 CE2 TYR A 36 297.225 -7.682 12.206 1.00 0.00 C ATOM 569 CZ TYR A 36 296.598 -8.634 12.982 1.00 0.00 C ATOM 570 OH TYR A 36 297.303 -9.294 13.957 1.00 0.00 O ATOM 0 H TYR A 36 292.727 -5.588 8.479 1.00 0.00 H new ATOM 0 HA TYR A 36 292.520 -6.565 11.097 1.00 0.00 H new ATOM 0 HB2 TYR A 36 294.046 -7.316 9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 36 295.002 -5.868 9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 36 293.514 -8.481 11.670 1.00 0.00 H new ATOM 0 HD2 TYR A 36 297.004 -6.277 10.628 1.00 0.00 H new ATOM 0 HE1 TYR A 36 294.777 -9.668 13.395 1.00 0.00 H new ATOM 0 HE2 TYR A 36 298.270 -7.457 12.360 1.00 0.00 H new ATOM 0 HH TYR A 36 296.862 -10.146 14.160 1.00 0.00 H new ATOM 580 N CYS A 37 293.928 -3.608 10.744 1.00 0.00 N ATOM 581 CA CYS A 37 294.331 -2.410 11.453 1.00 0.00 C ATOM 582 C CYS A 37 293.149 -1.920 12.270 1.00 0.00 C ATOM 583 O CYS A 37 293.305 -1.388 13.369 1.00 0.00 O ATOM 584 CB CYS A 37 294.790 -1.340 10.465 1.00 0.00 C ATOM 585 SG CYS A 37 296.561 -1.391 10.115 1.00 0.00 S ATOM 0 H CYS A 37 293.943 -3.523 9.728 1.00 0.00 H new ATOM 0 HA CYS A 37 295.169 -2.628 12.116 1.00 0.00 H new ATOM 0 HB2 CYS A 37 294.240 -1.459 9.532 1.00 0.00 H new ATOM 0 HB3 CYS A 37 294.535 -0.357 10.862 1.00 0.00 H new ATOM 0 HG CYS A 37 297.211 -0.808 11.078 1.00 0.00 H new ATOM 673 N SER A 43 298.829 0.600 12.940 1.00 0.00 N ATOM 674 CA SER A 43 299.057 1.821 12.179 1.00 0.00 C ATOM 675 C SER A 43 298.955 1.556 10.681 1.00 0.00 C ATOM 676 O SER A 43 298.543 2.421 9.908 1.00 0.00 O ATOM 677 CB SER A 43 300.446 2.372 12.506 1.00 0.00 C ATOM 678 OG SER A 43 300.746 3.510 11.717 1.00 0.00 O ATOM 0 HA SER A 43 298.293 2.548 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 43 300.496 2.636 13.562 1.00 0.00 H new ATOM 0 HB3 SER A 43 301.196 1.600 12.335 1.00 0.00 H new ATOM 0 HG SER A 43 301.639 3.842 11.948 1.00 0.00 H new ATOM 684 N MET A 44 299.362 0.355 10.290 1.00 0.00 N ATOM 685 CA MET A 44 299.365 -0.074 8.893 1.00 0.00 C ATOM 686 C MET A 44 300.661 0.356 8.197 1.00 0.00 C ATOM 687 O MET A 44 301.076 -0.246 7.206 1.00 0.00 O ATOM 688 CB MET A 44 298.159 0.446 8.116 1.00 0.00 C ATOM 689 CG MET A 44 297.679 -0.543 7.065 1.00 0.00 C ATOM 690 SD MET A 44 297.018 0.261 5.596 1.00 0.00 S ATOM 691 CE MET A 44 297.362 -0.984 4.355 1.00 0.00 C ATOM 0 H MET A 44 299.702 -0.356 10.937 1.00 0.00 H new ATOM 0 HA MET A 44 299.302 -1.162 8.902 1.00 0.00 H new ATOM 0 HB2 MET A 44 297.346 0.658 8.810 1.00 0.00 H new ATOM 0 HB3 MET A 44 298.419 1.388 7.633 1.00 0.00 H new ATOM 0 HG2 MET A 44 298.508 -1.190 6.777 1.00 0.00 H new ATOM 0 HG3 MET A 44 296.911 -1.183 7.499 1.00 0.00 H new ATOM 0 HE1 MET A 44 297.093 -0.601 3.371 1.00 0.00 H new ATOM 0 HE2 MET A 44 298.424 -1.230 4.371 1.00 0.00 H new ATOM 0 HE3 MET A 44 296.779 -1.880 4.567 1.00 0.00 H new ATOM 701 N ARG A 45 301.317 1.372 8.752 1.00 0.00 N ATOM 702 CA ARG A 45 302.589 1.851 8.230 1.00 0.00 C ATOM 703 C ARG A 45 303.710 1.237 9.064 1.00 0.00 C ATOM 704 O ARG A 45 304.806 0.960 8.578 1.00 0.00 O ATOM 705 CB ARG A 45 302.645 3.370 8.279 1.00 0.00 C ATOM 706 CG ARG A 45 302.818 4.014 6.918 1.00 0.00 C ATOM 707 CD ARG A 45 304.279 4.281 6.623 1.00 0.00 C ATOM 708 NE ARG A 45 304.455 5.283 5.575 1.00 0.00 N ATOM 709 CZ ARG A 45 304.161 5.076 4.292 1.00 0.00 C ATOM 710 NH1 ARG A 45 303.688 3.902 3.893 1.00 0.00 N ATOM 711 NH2 ARG A 45 304.343 6.046 3.406 1.00 0.00 N ATOM 0 H ARG A 45 300.983 1.882 9.570 1.00 0.00 H new ATOM 0 HA ARG A 45 302.703 1.553 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 45 301.729 3.745 8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 45 303.470 3.674 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 45 302.401 3.364 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 45 302.260 4.949 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 45 304.776 4.618 7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 45 304.763 3.352 6.321 1.00 0.00 H new ATOM 0 HE ARG A 45 304.825 6.196 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 45 303.548 3.152 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 45 303.465 3.750 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 45 304.708 6.950 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 45 304.118 5.888 2.424 1.00 0.00 H new ATOM 725 N GLN A 46 303.373 0.994 10.329 1.00 0.00 N ATOM 726 CA GLN A 46 304.260 0.370 11.300 1.00 0.00 C ATOM 727 C GLN A 46 304.061 -1.139 11.279 1.00 0.00 C ATOM 728 O GLN A 46 304.610 -1.878 12.096 1.00 0.00 O ATOM 729 CB GLN A 46 303.894 0.886 12.668 1.00 0.00 C ATOM 730 CG GLN A 46 304.963 0.644 13.716 1.00 0.00 C ATOM 731 CD GLN A 46 304.711 -0.614 14.517 1.00 0.00 C ATOM 732 OE1 GLN A 46 305.595 -1.458 14.666 1.00 0.00 O ATOM 733 NE2 GLN A 46 303.500 -0.747 15.038 1.00 0.00 N ATOM 0 H GLN A 46 302.458 1.231 10.712 1.00 0.00 H new ATOM 0 HA GLN A 46 305.298 0.603 11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 46 303.697 1.956 12.602 1.00 0.00 H new ATOM 0 HB3 GLN A 46 302.967 0.411 12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 46 305.936 0.573 13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 46 305.006 1.499 14.391 1.00 0.00 H new ATOM 0 HE21 GLN A 46 302.798 -0.022 14.889 1.00 0.00 H new ATOM 0 HE22 GLN A 46 303.270 -1.574 15.588 1.00 0.00 H new ATOM 742 N ILE A 47 303.236 -1.559 10.343 1.00 0.00 N ATOM 743 CA ILE A 47 302.869 -2.948 10.155 1.00 0.00 C ATOM 744 C ILE A 47 303.257 -3.418 8.772 1.00 0.00 C ATOM 745 O ILE A 47 303.114 -2.693 7.787 1.00 0.00 O ATOM 746 CB ILE A 47 301.347 -3.073 10.282 1.00 0.00 C ATOM 747 CG1 ILE A 47 300.853 -4.419 10.777 1.00 0.00 C ATOM 748 CG2 ILE A 47 300.694 -2.775 8.961 1.00 0.00 C ATOM 749 CD1 ILE A 47 301.080 -5.576 9.876 1.00 0.00 C ATOM 0 H ILE A 47 302.791 -0.929 9.675 1.00 0.00 H new ATOM 0 HA ILE A 47 303.384 -3.551 10.903 1.00 0.00 H new ATOM 0 HB ILE A 47 301.068 -2.345 11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 47 301.334 -4.630 11.732 1.00 0.00 H new ATOM 0 HG13 ILE A 47 299.783 -4.341 10.970 1.00 0.00 H new ATOM 0 HG21 ILE A 47 299.612 -2.866 9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 47 300.945 -1.761 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 47 301.050 -3.482 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 47 300.684 -6.480 10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 47 300.574 -5.403 8.926 1.00 0.00 H new ATOM 0 HD13 ILE A 47 302.149 -5.696 9.700 1.00 0.00 H new ATOM 761 N ARG A 48 303.677 -4.644 8.702 1.00 0.00 N ATOM 762 CA ARG A 48 304.011 -5.261 7.453 1.00 0.00 C ATOM 763 C ARG A 48 303.336 -6.598 7.447 1.00 0.00 C ATOM 764 O ARG A 48 303.627 -7.455 8.280 1.00 0.00 O ATOM 765 CB ARG A 48 305.513 -5.411 7.302 1.00 0.00 C ATOM 766 CG ARG A 48 306.194 -4.105 6.982 1.00 0.00 C ATOM 767 CD ARG A 48 305.684 -3.563 5.669 1.00 0.00 C ATOM 768 NE ARG A 48 304.964 -2.302 5.829 1.00 0.00 N ATOM 769 CZ ARG A 48 305.560 -1.115 5.930 1.00 0.00 C ATOM 770 NH1 ARG A 48 306.884 -1.023 5.897 1.00 0.00 N ATOM 771 NH2 ARG A 48 304.829 -0.018 6.068 1.00 0.00 N ATOM 0 H ARG A 48 303.799 -5.249 9.514 1.00 0.00 H new ATOM 0 HA ARG A 48 303.677 -4.649 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 48 305.929 -5.818 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 48 305.725 -6.131 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 48 306.009 -3.384 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 48 307.273 -4.252 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 48 306.523 -3.415 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 48 305.025 -4.298 5.207 1.00 0.00 H new ATOM 0 HE ARG A 48 303.945 -2.332 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 48 307.451 -1.864 5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 48 307.334 -0.111 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 48 303.812 -0.083 6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 48 305.284 0.892 6.145 1.00 0.00 H new ATOM 785 N PHE A 49 302.433 -6.794 6.522 1.00 0.00 N ATOM 786 CA PHE A 49 301.744 -8.051 6.475 1.00 0.00 C ATOM 787 C PHE A 49 302.546 -9.010 5.648 1.00 0.00 C ATOM 788 O PHE A 49 303.066 -8.643 4.604 1.00 0.00 O ATOM 789 CB PHE A 49 300.352 -7.948 5.837 1.00 0.00 C ATOM 790 CG PHE A 49 299.333 -7.289 6.695 1.00 0.00 C ATOM 791 CD1 PHE A 49 299.652 -6.207 7.497 1.00 0.00 C ATOM 792 CD2 PHE A 49 298.045 -7.767 6.703 1.00 0.00 C ATOM 793 CE1 PHE A 49 298.708 -5.627 8.291 1.00 0.00 C ATOM 794 CE2 PHE A 49 297.092 -7.182 7.500 1.00 0.00 C ATOM 795 CZ PHE A 49 297.435 -6.107 8.300 1.00 0.00 C ATOM 0 H PHE A 49 302.164 -6.116 5.809 1.00 0.00 H new ATOM 0 HA PHE A 49 301.624 -8.386 7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 49 300.434 -7.395 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 49 300.005 -8.950 5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 49 300.660 -5.818 7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 49 297.780 -8.608 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 49 298.971 -4.785 8.914 1.00 0.00 H new ATOM 0 HE2 PHE A 49 296.080 -7.559 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 49 296.691 -5.648 8.933 1.00 0.00 H new ATOM 805 N ARG A 50 302.635 -10.232 6.078 1.00 0.00 N ATOM 806 CA ARG A 50 303.325 -11.228 5.318 1.00 0.00 C ATOM 807 C ARG A 50 302.336 -12.311 5.029 1.00 0.00 C ATOM 808 O ARG A 50 301.497 -12.625 5.848 1.00 0.00 O ATOM 809 CB ARG A 50 304.528 -11.798 6.053 1.00 0.00 C ATOM 810 CG ARG A 50 305.532 -12.428 5.135 1.00 0.00 C ATOM 811 CD ARG A 50 305.942 -13.817 5.573 1.00 0.00 C ATOM 812 NE ARG A 50 306.863 -13.796 6.709 1.00 0.00 N ATOM 813 CZ ARG A 50 307.072 -14.836 7.515 1.00 0.00 C ATOM 814 NH1 ARG A 50 306.424 -15.978 7.320 1.00 0.00 N ATOM 815 NH2 ARG A 50 307.930 -14.732 8.521 1.00 0.00 N ATOM 0 H ARG A 50 302.236 -10.564 6.956 1.00 0.00 H new ATOM 0 HA ARG A 50 303.717 -10.780 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 50 305.011 -11.002 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 50 304.187 -12.541 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 50 305.115 -12.478 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 50 306.417 -11.793 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 50 305.053 -14.388 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 50 306.413 -14.334 4.737 1.00 0.00 H new ATOM 0 HE ARG A 50 307.376 -12.934 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 50 305.761 -16.063 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 50 306.589 -16.770 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 50 308.429 -13.856 8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 50 308.091 -15.528 9.139 1.00 0.00 H new ATOM 829 N PHE A 51 302.413 -12.854 3.864 1.00 0.00 N ATOM 830 CA PHE A 51 301.496 -13.889 3.461 1.00 0.00 C ATOM 831 C PHE A 51 302.131 -15.204 3.829 1.00 0.00 C ATOM 832 O PHE A 51 303.335 -15.259 4.054 1.00 0.00 O ATOM 833 CB PHE A 51 301.134 -13.784 1.974 1.00 0.00 C ATOM 834 CG PHE A 51 300.789 -15.088 1.299 1.00 0.00 C ATOM 835 CD1 PHE A 51 299.683 -15.819 1.700 1.00 0.00 C ATOM 836 CD2 PHE A 51 301.567 -15.578 0.264 1.00 0.00 C ATOM 837 CE1 PHE A 51 299.362 -17.014 1.085 1.00 0.00 C ATOM 838 CE2 PHE A 51 301.252 -16.772 -0.356 1.00 0.00 C ATOM 839 CZ PHE A 51 300.148 -17.492 0.055 1.00 0.00 C ATOM 0 H PHE A 51 303.106 -12.602 3.159 1.00 0.00 H new ATOM 0 HA PHE A 51 300.541 -13.789 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 51 300.287 -13.106 1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 51 301.972 -13.331 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 51 299.063 -15.450 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 51 302.432 -15.020 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 51 298.497 -17.574 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 51 301.869 -17.142 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 51 299.900 -18.426 -0.427 1.00 0.00 H new ATOM 849 N ASP A 52 301.312 -16.231 3.961 1.00 0.00 N ATOM 850 CA ASP A 52 301.822 -17.525 4.384 1.00 0.00 C ATOM 851 C ASP A 52 303.179 -17.688 3.715 1.00 0.00 C ATOM 852 O ASP A 52 303.301 -18.106 2.564 1.00 0.00 O ATOM 853 CB ASP A 52 300.878 -18.652 3.970 1.00 0.00 C ATOM 854 CG ASP A 52 301.119 -19.927 4.753 1.00 0.00 C ATOM 855 OD1 ASP A 52 300.786 -19.958 5.956 1.00 0.00 O ATOM 856 OD2 ASP A 52 301.643 -20.896 4.164 1.00 0.00 O ATOM 0 H ASP A 52 300.308 -16.199 3.785 1.00 0.00 H new ATOM 0 HA ASP A 52 301.906 -17.574 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 52 299.847 -18.330 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 52 301.002 -18.854 2.906 1.00 0.00 H new ATOM 861 N GLY A 53 304.194 -17.282 4.489 1.00 0.00 N ATOM 862 CA GLY A 53 305.564 -17.294 4.042 1.00 0.00 C ATOM 863 C GLY A 53 305.786 -16.485 2.774 1.00 0.00 C ATOM 864 O GLY A 53 306.238 -17.038 1.771 1.00 0.00 O ATOM 0 H GLY A 53 304.072 -16.938 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 53 306.201 -16.900 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 53 305.874 -18.324 3.867 1.00 0.00 H new ATOM 868 N GLN A 54 305.498 -15.171 2.795 1.00 0.00 N ATOM 869 CA GLN A 54 305.712 -14.345 1.612 1.00 0.00 C ATOM 870 C GLN A 54 305.417 -12.887 1.934 1.00 0.00 C ATOM 871 O GLN A 54 304.255 -12.494 2.039 1.00 0.00 O ATOM 872 CB GLN A 54 304.826 -14.814 0.460 1.00 0.00 C ATOM 873 CG GLN A 54 305.495 -14.728 -0.900 1.00 0.00 C ATOM 874 CD GLN A 54 306.130 -16.038 -1.318 1.00 0.00 C ATOM 875 OE1 GLN A 54 305.460 -17.068 -1.401 1.00 0.00 O ATOM 876 NE2 GLN A 54 307.430 -16.007 -1.583 1.00 0.00 N ATOM 0 H GLN A 54 305.125 -14.674 3.604 1.00 0.00 H new ATOM 0 HA GLN A 54 306.754 -14.441 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 54 304.525 -15.846 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 54 303.916 -14.214 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 54 304.758 -14.431 -1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 54 306.257 -13.949 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 54 307.946 -15.131 -1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 54 307.913 -16.859 -1.868 1.00 0.00 H new ATOM 885 N PRO A 55 306.466 -12.059 2.102 1.00 0.00 N ATOM 886 CA PRO A 55 306.318 -10.640 2.419 1.00 0.00 C ATOM 887 C PRO A 55 305.163 -10.004 1.655 1.00 0.00 C ATOM 888 O PRO A 55 304.903 -10.357 0.505 1.00 0.00 O ATOM 889 CB PRO A 55 307.664 -10.028 1.995 1.00 0.00 C ATOM 890 CG PRO A 55 308.496 -11.166 1.479 1.00 0.00 C ATOM 891 CD PRO A 55 307.877 -12.429 1.997 1.00 0.00 C ATOM 0 HA PRO A 55 306.087 -10.475 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 55 307.522 -9.269 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 55 308.152 -9.539 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 55 308.517 -11.165 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 55 309.528 -11.075 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 55 308.029 -13.266 1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 55 308.294 -12.722 2.960 1.00 0.00 H new ATOM 899 N ILE A 56 304.455 -9.087 2.304 1.00 0.00 N ATOM 900 CA ILE A 56 303.308 -8.437 1.670 1.00 0.00 C ATOM 901 C ILE A 56 303.489 -6.948 1.439 1.00 0.00 C ATOM 902 O ILE A 56 304.216 -6.254 2.152 1.00 0.00 O ATOM 903 CB ILE A 56 302.022 -8.628 2.492 1.00 0.00 C ATOM 904 CG1 ILE A 56 301.594 -10.090 2.452 1.00 0.00 C ATOM 905 CG2 ILE A 56 300.916 -7.678 2.036 1.00 0.00 C ATOM 906 CD1 ILE A 56 300.142 -10.287 2.135 1.00 0.00 C ATOM 0 H ILE A 56 304.649 -8.778 3.256 1.00 0.00 H new ATOM 0 HA ILE A 56 303.228 -8.928 0.700 1.00 0.00 H new ATOM 0 HB ILE A 56 302.226 -8.370 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 56 302.193 -10.614 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 56 301.811 -10.549 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 56 300.023 -7.842 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 56 301.250 -6.647 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 56 300.685 -7.866 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 56 299.913 -11.353 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 56 299.534 -9.793 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 56 299.922 -9.859 1.157 1.00 0.00 H new ATOM 918 N ASN A 57 302.767 -6.489 0.431 1.00 0.00 N ATOM 919 CA ASN A 57 302.741 -5.100 0.037 1.00 0.00 C ATOM 920 C ASN A 57 301.306 -4.596 0.044 1.00 0.00 C ATOM 921 O ASN A 57 300.367 -5.382 -0.080 1.00 0.00 O ATOM 922 CB ASN A 57 303.323 -4.960 -1.353 1.00 0.00 C ATOM 923 CG ASN A 57 304.816 -5.156 -1.387 1.00 0.00 C ATOM 924 OD1 ASN A 57 305.332 -5.945 -2.178 1.00 0.00 O ATOM 925 ND2 ASN A 57 305.521 -4.443 -0.533 1.00 0.00 N ATOM 0 H ASN A 57 302.173 -7.086 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 57 303.333 -4.511 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 57 302.851 -5.687 -2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 57 303.083 -3.971 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 57 306.537 -4.533 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 57 305.051 -3.801 0.105 1.00 0.00 H new ATOM 932 N GLU A 58 301.133 -3.291 0.178 1.00 0.00 N ATOM 933 CA GLU A 58 299.802 -2.711 0.186 1.00 0.00 C ATOM 934 C GLU A 58 299.090 -2.988 -1.135 1.00 0.00 C ATOM 935 O GLU A 58 297.866 -3.078 -1.189 1.00 0.00 O ATOM 936 CB GLU A 58 299.884 -1.204 0.437 1.00 0.00 C ATOM 937 CG GLU A 58 299.571 -0.811 1.872 1.00 0.00 C ATOM 938 CD GLU A 58 299.562 0.691 2.078 1.00 0.00 C ATOM 939 OE1 GLU A 58 300.646 1.265 2.313 1.00 0.00 O ATOM 940 OE2 GLU A 58 298.470 1.294 2.005 1.00 0.00 O ATOM 0 H GLU A 58 301.892 -2.618 0.282 1.00 0.00 H new ATOM 0 HA GLU A 58 299.229 -3.171 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 58 300.885 -0.855 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 58 299.190 -0.694 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 58 298.599 -1.218 2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 58 300.309 -1.260 2.537 1.00 0.00 H new ATOM 947 N THR A 59 299.865 -3.113 -2.203 1.00 0.00 N ATOM 948 CA THR A 59 299.300 -3.362 -3.521 1.00 0.00 C ATOM 949 C THR A 59 299.239 -4.852 -3.857 1.00 0.00 C ATOM 950 O THR A 59 298.546 -5.249 -4.794 1.00 0.00 O ATOM 951 CB THR A 59 300.103 -2.609 -4.574 1.00 0.00 C ATOM 952 OG1 THR A 59 301.490 -2.854 -4.421 1.00 0.00 O ATOM 953 CG2 THR A 59 299.886 -1.115 -4.508 1.00 0.00 C ATOM 0 H THR A 59 300.883 -3.046 -2.183 1.00 0.00 H new ATOM 0 HA THR A 59 298.272 -2.999 -3.515 1.00 0.00 H new ATOM 0 HB THR A 59 299.751 -2.977 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 59 301.987 -2.362 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 59 300.481 -0.626 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 59 298.831 -0.893 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 59 300.189 -0.746 -3.528 1.00 0.00 H new ATOM 961 N ASP A 60 299.953 -5.676 -3.096 1.00 0.00 N ATOM 962 CA ASP A 60 299.950 -7.118 -3.338 1.00 0.00 C ATOM 963 C ASP A 60 298.536 -7.678 -3.238 1.00 0.00 C ATOM 964 O ASP A 60 297.775 -7.304 -2.347 1.00 0.00 O ATOM 965 CB ASP A 60 300.854 -7.842 -2.339 1.00 0.00 C ATOM 966 CG ASP A 60 302.291 -7.931 -2.813 1.00 0.00 C ATOM 967 OD1 ASP A 60 302.664 -7.160 -3.723 1.00 0.00 O ATOM 968 OD2 ASP A 60 303.044 -8.769 -2.275 1.00 0.00 O ATOM 0 H ASP A 60 300.536 -5.376 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 60 300.331 -7.284 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 60 300.822 -7.321 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 60 300.469 -8.847 -2.168 1.00 0.00 H new ATOM 973 N THR A 61 298.191 -8.584 -4.148 1.00 0.00 N ATOM 974 CA THR A 61 296.868 -9.195 -4.141 1.00 0.00 C ATOM 975 C THR A 61 296.954 -10.710 -4.079 1.00 0.00 C ATOM 976 O THR A 61 297.921 -11.310 -4.541 1.00 0.00 O ATOM 977 CB THR A 61 296.047 -8.783 -5.364 1.00 0.00 C ATOM 978 OG1 THR A 61 296.276 -9.667 -6.453 1.00 0.00 O ATOM 979 CG2 THR A 61 296.318 -7.370 -5.843 1.00 0.00 C ATOM 0 H THR A 61 298.805 -8.909 -4.895 1.00 0.00 H new ATOM 0 HA THR A 61 296.366 -8.832 -3.244 1.00 0.00 H new ATOM 0 HB THR A 61 295.011 -8.831 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 61 295.474 -10.208 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 61 295.697 -7.155 -6.713 1.00 0.00 H new ATOM 0 HG22 THR A 61 296.083 -6.664 -5.046 1.00 0.00 H new ATOM 0 HG23 THR A 61 297.369 -7.273 -6.115 1.00 0.00 H new ATOM 987 N PRO A 62 295.917 -11.346 -3.512 1.00 0.00 N ATOM 988 CA PRO A 62 295.846 -12.802 -3.393 1.00 0.00 C ATOM 989 C PRO A 62 296.307 -13.500 -4.671 1.00 0.00 C ATOM 990 O PRO A 62 297.063 -14.462 -4.613 1.00 0.00 O ATOM 991 CB PRO A 62 294.357 -13.044 -3.169 1.00 0.00 C ATOM 992 CG PRO A 62 293.854 -11.821 -2.490 1.00 0.00 C ATOM 993 CD PRO A 62 294.721 -10.683 -2.954 1.00 0.00 C ATOM 0 HA PRO A 62 296.488 -13.191 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 62 293.840 -13.209 -4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 62 294.191 -13.930 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 62 292.809 -11.640 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 62 293.906 -11.930 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 62 294.215 -10.076 -3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 62 294.981 -10.019 -2.130 1.00 0.00 H new ATOM 1001 N ALA A 63 295.874 -12.994 -5.831 1.00 0.00 N ATOM 1002 CA ALA A 63 296.278 -13.558 -7.117 1.00 0.00 C ATOM 1003 C ALA A 63 297.755 -13.367 -7.309 1.00 0.00 C ATOM 1004 O ALA A 63 298.495 -14.262 -7.718 1.00 0.00 O ATOM 1005 CB ALA A 63 295.600 -12.803 -8.228 1.00 0.00 C ATOM 0 H ALA A 63 295.244 -12.195 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 63 296.011 -14.615 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 63 295.900 -13.222 -9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 63 294.519 -12.886 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 63 295.889 -11.753 -8.184 1.00 0.00 H new ATOM 1011 N GLN A 64 298.149 -12.163 -6.970 1.00 0.00 N ATOM 1012 CA GLN A 64 299.512 -11.722 -7.032 1.00 0.00 C ATOM 1013 C GLN A 64 300.342 -12.496 -6.022 1.00 0.00 C ATOM 1014 O GLN A 64 301.571 -12.532 -6.080 1.00 0.00 O ATOM 1015 CB GLN A 64 299.501 -10.238 -6.695 1.00 0.00 C ATOM 1016 CG GLN A 64 300.026 -9.355 -7.800 1.00 0.00 C ATOM 1017 CD GLN A 64 301.525 -9.477 -7.990 1.00 0.00 C ATOM 1018 OE1 GLN A 64 301.998 -10.287 -8.787 1.00 0.00 O ATOM 1019 NE2 GLN A 64 302.282 -8.670 -7.255 1.00 0.00 N ATOM 0 H GLN A 64 297.507 -11.445 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 64 299.948 -11.890 -8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 64 298.481 -9.937 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 64 300.099 -10.075 -5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 64 299.524 -9.612 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 64 299.776 -8.317 -7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 64 301.847 -8.013 -6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 64 303.298 -8.707 -7.339 1.00 0.00 H new ATOM 1028 N LEU A 65 299.629 -13.086 -5.078 1.00 0.00 N ATOM 1029 CA LEU A 65 300.215 -13.843 -4.002 1.00 0.00 C ATOM 1030 C LEU A 65 299.791 -15.307 -4.055 1.00 0.00 C ATOM 1031 O LEU A 65 300.101 -16.089 -3.156 1.00 0.00 O ATOM 1032 CB LEU A 65 299.756 -13.188 -2.708 1.00 0.00 C ATOM 1033 CG LEU A 65 300.392 -11.826 -2.439 1.00 0.00 C ATOM 1034 CD1 LEU A 65 300.119 -11.368 -1.023 1.00 0.00 C ATOM 1035 CD2 LEU A 65 301.882 -11.878 -2.704 1.00 0.00 C ATOM 0 H LEU A 65 298.610 -13.048 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 65 301.302 -13.839 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 65 298.673 -13.072 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 65 299.983 -13.854 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 65 299.942 -11.102 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 300.583 -10.396 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 65 299.043 -11.287 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 300.533 -12.091 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 65 302.321 -10.900 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 65 302.342 -12.620 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 65 302.057 -12.152 -3.744 1.00 0.00 H new ATOM 1047 N GLU A 66 299.068 -15.664 -5.112 1.00 0.00 N ATOM 1048 CA GLU A 66 298.576 -17.025 -5.294 1.00 0.00 C ATOM 1049 C GLU A 66 297.957 -17.531 -3.995 1.00 0.00 C ATOM 1050 O GLU A 66 298.311 -18.596 -3.488 1.00 0.00 O ATOM 1051 CB GLU A 66 299.709 -17.953 -5.739 1.00 0.00 C ATOM 1052 CG GLU A 66 300.209 -17.673 -7.147 1.00 0.00 C ATOM 1053 CD GLU A 66 301.596 -18.234 -7.397 1.00 0.00 C ATOM 1054 OE1 GLU A 66 302.575 -17.639 -6.899 1.00 0.00 O ATOM 1055 OE2 GLU A 66 301.703 -19.267 -8.090 1.00 0.00 O ATOM 0 H GLU A 66 298.808 -15.023 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 66 297.813 -17.019 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 300.541 -17.857 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 66 299.364 -18.986 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 299.513 -18.102 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 66 300.221 -16.596 -7.317 1.00 0.00 H new ATOM 1062 N MET A 67 297.046 -16.733 -3.457 1.00 0.00 N ATOM 1063 CA MET A 67 296.376 -17.050 -2.206 1.00 0.00 C ATOM 1064 C MET A 67 295.083 -17.821 -2.449 1.00 0.00 C ATOM 1065 O MET A 67 294.576 -17.864 -3.570 1.00 0.00 O ATOM 1066 CB MET A 67 296.096 -15.751 -1.450 1.00 0.00 C ATOM 1067 CG MET A 67 297.329 -15.171 -0.783 1.00 0.00 C ATOM 1068 SD MET A 67 296.975 -14.484 0.841 1.00 0.00 S ATOM 1069 CE MET A 67 297.463 -12.784 0.589 1.00 0.00 C ATOM 0 H MET A 67 296.752 -15.850 -3.875 1.00 0.00 H new ATOM 0 HA MET A 67 297.025 -17.690 -1.608 1.00 0.00 H new ATOM 0 HB2 MET A 67 295.686 -15.016 -2.143 1.00 0.00 H new ATOM 0 HB3 MET A 67 295.334 -15.936 -0.693 1.00 0.00 H new ATOM 0 HG2 MET A 67 298.086 -15.949 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 67 297.750 -14.393 -1.419 1.00 0.00 H new ATOM 0 HE1 MET A 67 296.887 -12.138 1.251 1.00 0.00 H new ATOM 0 HE2 MET A 67 298.525 -12.674 0.808 1.00 0.00 H new ATOM 0 HE3 MET A 67 297.275 -12.501 -0.447 1.00 0.00 H new ATOM 1079 N GLU A 68 294.551 -18.430 -1.391 1.00 0.00 N ATOM 1080 CA GLU A 68 293.316 -19.199 -1.501 1.00 0.00 C ATOM 1081 C GLU A 68 292.213 -18.622 -0.648 1.00 0.00 C ATOM 1082 O GLU A 68 292.370 -17.597 0.014 1.00 0.00 O ATOM 1083 CB GLU A 68 293.510 -20.642 -1.060 1.00 0.00 C ATOM 1084 CG GLU A 68 293.433 -21.649 -2.196 1.00 0.00 C ATOM 1085 CD GLU A 68 294.412 -22.795 -2.027 1.00 0.00 C ATOM 1086 OE1 GLU A 68 295.611 -22.524 -1.807 1.00 0.00 O ATOM 1087 OE2 GLU A 68 293.979 -23.963 -2.115 1.00 0.00 O ATOM 0 H GLU A 68 294.954 -18.406 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 68 293.041 -19.155 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 68 294.479 -20.735 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 292.752 -20.889 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 68 292.420 -22.047 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 68 293.632 -21.142 -3.140 1.00 0.00 H new ATOM 1094 N ASP A 69 291.100 -19.330 -0.657 1.00 0.00 N ATOM 1095 CA ASP A 69 289.949 -18.943 0.119 1.00 0.00 C ATOM 1096 C ASP A 69 290.040 -19.544 1.519 1.00 0.00 C ATOM 1097 O ASP A 69 289.919 -20.752 1.723 1.00 0.00 O ATOM 1098 CB ASP A 69 288.668 -19.332 -0.617 1.00 0.00 C ATOM 1099 CG ASP A 69 288.158 -20.718 -0.263 1.00 0.00 C ATOM 1100 OD1 ASP A 69 288.766 -21.709 -0.722 1.00 0.00 O ATOM 1101 OD2 ASP A 69 287.152 -20.811 0.471 1.00 0.00 O ATOM 0 H ASP A 69 290.973 -20.184 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 69 289.926 -17.860 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 69 287.893 -18.600 -0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 69 288.848 -19.284 -1.691 1.00 0.00 H new ATOM 1106 N GLU A 70 290.303 -18.647 2.449 1.00 0.00 N ATOM 1107 CA GLU A 70 290.485 -18.960 3.868 1.00 0.00 C ATOM 1108 C GLU A 70 291.969 -19.007 4.188 1.00 0.00 C ATOM 1109 O GLU A 70 292.362 -19.324 5.311 1.00 0.00 O ATOM 1110 CB GLU A 70 289.820 -20.288 4.249 1.00 0.00 C ATOM 1111 CG GLU A 70 289.615 -20.460 5.744 1.00 0.00 C ATOM 1112 CD GLU A 70 289.255 -21.882 6.123 1.00 0.00 C ATOM 1113 OE1 GLU A 70 290.181 -22.689 6.351 1.00 0.00 O ATOM 1114 OE2 GLU A 70 288.046 -22.190 6.190 1.00 0.00 O ATOM 0 H GLU A 70 290.400 -17.653 2.242 1.00 0.00 H new ATOM 0 HA GLU A 70 290.004 -18.176 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 70 288.854 -20.358 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 70 290.432 -21.110 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 290.525 -20.168 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 70 288.825 -19.788 6.078 1.00 0.00 H new ATOM 1121 N ASP A 71 292.793 -18.692 3.182 1.00 0.00 N ATOM 1122 CA ASP A 71 294.232 -18.692 3.339 1.00 0.00 C ATOM 1123 C ASP A 71 294.627 -17.909 4.577 1.00 0.00 C ATOM 1124 O ASP A 71 293.783 -17.554 5.398 1.00 0.00 O ATOM 1125 CB ASP A 71 294.903 -18.109 2.089 1.00 0.00 C ATOM 1126 CG ASP A 71 296.104 -18.921 1.646 1.00 0.00 C ATOM 1127 OD1 ASP A 71 297.022 -19.119 2.468 1.00 0.00 O ATOM 1128 OD2 ASP A 71 296.125 -19.359 0.476 1.00 0.00 O ATOM 0 H ASP A 71 292.474 -18.434 2.248 1.00 0.00 H new ATOM 0 HA ASP A 71 294.572 -19.720 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 71 294.177 -18.066 1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 71 295.215 -17.085 2.292 1.00 0.00 H new ATOM 1133 N THR A 72 295.903 -17.635 4.716 1.00 0.00 N ATOM 1134 CA THR A 72 296.369 -16.898 5.871 1.00 0.00 C ATOM 1135 C THR A 72 297.375 -15.827 5.498 1.00 0.00 C ATOM 1136 O THR A 72 298.399 -16.088 4.867 1.00 0.00 O ATOM 1137 CB THR A 72 296.974 -17.844 6.911 1.00 0.00 C ATOM 1138 OG1 THR A 72 295.964 -18.631 7.522 1.00 0.00 O ATOM 1139 CG2 THR A 72 297.727 -17.120 8.009 1.00 0.00 C ATOM 0 H THR A 72 296.630 -17.906 4.054 1.00 0.00 H new ATOM 0 HA THR A 72 295.499 -16.401 6.301 1.00 0.00 H new ATOM 0 HB THR A 72 297.679 -18.469 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 72 296.371 -19.230 8.182 1.00 0.00 H new ATOM 0 HG21 THR A 72 298.131 -17.847 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 72 298.544 -16.545 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 72 297.049 -16.446 8.532 1.00 0.00 H new ATOM 1147 N ILE A 73 297.096 -14.641 5.991 1.00 0.00 N ATOM 1148 CA ILE A 73 297.965 -13.515 5.843 1.00 0.00 C ATOM 1149 C ILE A 73 298.718 -13.425 7.147 1.00 0.00 C ATOM 1150 O ILE A 73 298.132 -13.397 8.219 1.00 0.00 O ATOM 1151 CB ILE A 73 297.197 -12.188 5.564 1.00 0.00 C ATOM 1152 CG1 ILE A 73 297.087 -11.971 4.086 1.00 0.00 C ATOM 1153 CG2 ILE A 73 297.902 -10.970 6.191 1.00 0.00 C ATOM 1154 CD1 ILE A 73 298.353 -12.260 3.369 1.00 0.00 C ATOM 0 H ILE A 73 296.243 -14.438 6.513 1.00 0.00 H new ATOM 0 HA ILE A 73 298.621 -13.650 4.983 1.00 0.00 H new ATOM 0 HB ILE A 73 296.209 -12.283 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 73 296.296 -12.606 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 73 296.794 -10.939 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 73 297.332 -10.067 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 73 297.968 -11.104 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 73 298.905 -10.876 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 73 298.215 -12.086 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 73 299.141 -11.607 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 73 298.635 -13.300 3.533 1.00 0.00 H new ATOM 1166 N ASP A 74 300.005 -13.400 7.058 1.00 0.00 N ATOM 1167 CA ASP A 74 300.824 -13.322 8.248 1.00 0.00 C ATOM 1168 C ASP A 74 301.094 -11.867 8.529 1.00 0.00 C ATOM 1169 O ASP A 74 301.393 -11.112 7.619 1.00 0.00 O ATOM 1170 CB ASP A 74 302.130 -14.102 8.066 1.00 0.00 C ATOM 1171 CG ASP A 74 301.894 -15.510 7.554 1.00 0.00 C ATOM 1172 OD1 ASP A 74 301.161 -15.664 6.555 1.00 0.00 O ATOM 1173 OD2 ASP A 74 302.442 -16.459 8.153 1.00 0.00 O ATOM 0 H ASP A 74 300.524 -13.432 6.181 1.00 0.00 H new ATOM 0 HA ASP A 74 300.303 -13.773 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 74 302.775 -13.568 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 74 302.659 -14.148 9.018 1.00 0.00 H new ATOM 1178 N VAL A 75 300.978 -11.453 9.770 1.00 0.00 N ATOM 1179 CA VAL A 75 301.222 -10.060 10.081 1.00 0.00 C ATOM 1180 C VAL A 75 302.512 -9.885 10.825 1.00 0.00 C ATOM 1181 O VAL A 75 302.826 -10.617 11.757 1.00 0.00 O ATOM 1182 CB VAL A 75 300.082 -9.389 10.880 1.00 0.00 C ATOM 1183 CG1 VAL A 75 300.640 -8.421 11.929 1.00 0.00 C ATOM 1184 CG2 VAL A 75 299.166 -8.652 9.925 1.00 0.00 C ATOM 0 H VAL A 75 300.723 -12.041 10.563 1.00 0.00 H new ATOM 0 HA VAL A 75 301.278 -9.562 9.113 1.00 0.00 H new ATOM 0 HB VAL A 75 299.520 -10.162 11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 75 299.816 -7.963 12.476 1.00 0.00 H new ATOM 0 HG12 VAL A 75 301.279 -8.966 12.624 1.00 0.00 H new ATOM 0 HG13 VAL A 75 301.223 -7.644 11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 75 298.361 -8.178 10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 75 299.734 -7.890 9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 75 298.743 -9.357 9.209 1.00 0.00 H new ATOM 1194 N PHE A 76 303.231 -8.877 10.412 1.00 0.00 N ATOM 1195 CA PHE A 76 304.483 -8.511 11.017 1.00 0.00 C ATOM 1196 C PHE A 76 304.523 -7.004 11.081 1.00 0.00 C ATOM 1197 O PHE A 76 304.145 -6.327 10.140 1.00 0.00 O ATOM 1198 CB PHE A 76 305.664 -9.018 10.207 1.00 0.00 C ATOM 1199 CG PHE A 76 305.743 -10.524 10.116 1.00 0.00 C ATOM 1200 CD1 PHE A 76 306.103 -11.252 11.238 1.00 0.00 C ATOM 1201 CD2 PHE A 76 305.458 -11.219 8.935 1.00 0.00 C ATOM 1202 CE1 PHE A 76 306.178 -12.630 11.201 1.00 0.00 C ATOM 1203 CE2 PHE A 76 305.535 -12.600 8.902 1.00 0.00 C ATOM 1204 CZ PHE A 76 305.893 -13.303 10.034 1.00 0.00 C ATOM 0 H PHE A 76 302.959 -8.277 9.633 1.00 0.00 H new ATOM 0 HA PHE A 76 304.556 -8.958 12.009 1.00 0.00 H new ATOM 0 HB2 PHE A 76 305.605 -8.606 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 76 306.585 -8.642 10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 76 306.329 -10.733 12.158 1.00 0.00 H new ATOM 0 HD2 PHE A 76 305.177 -10.675 8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 76 306.460 -13.180 12.087 1.00 0.00 H new ATOM 0 HE2 PHE A 76 305.314 -13.130 7.987 1.00 0.00 H new ATOM 0 HZ PHE A 76 305.950 -14.381 10.005 1.00 0.00 H new ATOM 1214 N GLN A 77 304.949 -6.492 12.189 1.00 0.00 N ATOM 1215 CA GLN A 77 305.007 -5.050 12.383 1.00 0.00 C ATOM 1216 C GLN A 77 306.404 -4.528 12.060 1.00 0.00 C ATOM 1217 O GLN A 77 307.374 -4.878 12.732 1.00 0.00 O ATOM 1218 CB GLN A 77 304.619 -4.698 13.819 1.00 0.00 C ATOM 1219 CG GLN A 77 303.369 -3.840 13.909 1.00 0.00 C ATOM 1220 CD GLN A 77 302.515 -4.181 15.113 1.00 0.00 C ATOM 1221 OE1 GLN A 77 302.425 -3.408 16.066 1.00 0.00 O ATOM 1222 NE2 GLN A 77 301.880 -5.347 15.075 1.00 0.00 N ATOM 0 H GLN A 77 305.267 -7.041 12.988 1.00 0.00 H new ATOM 0 HA GLN A 77 304.298 -4.574 11.705 1.00 0.00 H new ATOM 0 HB2 GLN A 77 304.461 -5.618 14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 77 305.447 -4.172 14.294 1.00 0.00 H new ATOM 0 HG2 GLN A 77 303.656 -2.790 13.957 1.00 0.00 H new ATOM 0 HG3 GLN A 77 302.779 -3.968 13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 77 301.983 -5.958 14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 77 301.289 -5.632 15.856 1.00 0.00 H new ATOM 1231 N GLN A 78 306.506 -3.687 11.031 1.00 0.00 N ATOM 1232 CA GLN A 78 307.786 -3.113 10.618 1.00 0.00 C ATOM 1233 C GLN A 78 308.908 -4.151 10.586 1.00 0.00 C ATOM 1234 O GLN A 78 309.530 -4.437 11.608 1.00 0.00 O ATOM 1235 CB GLN A 78 308.172 -1.958 11.540 1.00 0.00 C ATOM 1236 CG GLN A 78 307.963 -0.591 10.909 1.00 0.00 C ATOM 1237 CD GLN A 78 309.190 0.294 11.011 1.00 0.00 C ATOM 1238 OE1 GLN A 78 310.306 -0.133 10.712 1.00 0.00 O ATOM 1239 NE2 GLN A 78 308.989 1.536 11.436 1.00 0.00 N ATOM 0 H GLN A 78 305.712 -3.387 10.465 1.00 0.00 H new ATOM 0 HA GLN A 78 307.655 -2.742 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 78 307.585 -2.021 12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 78 309.219 -2.063 11.824 1.00 0.00 H new ATOM 0 HG2 GLN A 78 307.697 -0.717 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 78 307.122 -0.096 11.394 1.00 0.00 H new ATOM 0 HE21 GLN A 78 308.047 1.848 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 78 309.776 2.178 11.526 1.00 0.00 H new ATOM 1489 N ASN B 14 312.799 -0.140 -8.099 1.00 0.00 N ATOM 1490 CA ASN B 14 311.687 0.617 -7.541 1.00 0.00 C ATOM 1491 C ASN B 14 311.523 0.346 -6.044 1.00 0.00 C ATOM 1492 O ASN B 14 312.115 -0.588 -5.504 1.00 0.00 O ATOM 1493 CB ASN B 14 310.415 0.265 -8.293 1.00 0.00 C ATOM 1494 CG ASN B 14 309.425 1.412 -8.345 1.00 0.00 C ATOM 1495 OD1 ASN B 14 309.455 2.232 -9.262 1.00 0.00 O ATOM 1496 ND2 ASN B 14 308.538 1.475 -7.359 1.00 0.00 N ATOM 0 HA ASN B 14 311.894 1.681 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN B 14 310.671 -0.034 -9.309 1.00 0.00 H new ATOM 0 HB3 ASN B 14 309.943 -0.594 -7.817 1.00 0.00 H new ATOM 0 HD21 ASN B 14 307.846 2.224 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN B 14 308.548 0.774 -6.618 1.00 0.00 H new ATOM 1503 N ASP B 15 310.717 1.174 -5.377 1.00 0.00 N ATOM 1504 CA ASP B 15 310.473 1.030 -3.938 1.00 0.00 C ATOM 1505 C ASP B 15 311.684 1.478 -3.125 1.00 0.00 C ATOM 1506 O ASP B 15 312.509 0.658 -2.724 1.00 0.00 O ATOM 1507 CB ASP B 15 310.126 -0.418 -3.591 1.00 0.00 C ATOM 1508 CG ASP B 15 308.733 -0.558 -3.007 1.00 0.00 C ATOM 1509 OD1 ASP B 15 308.595 -0.459 -1.770 1.00 0.00 O ATOM 1510 OD2 ASP B 15 307.780 -0.766 -3.788 1.00 0.00 O ATOM 0 H ASP B 15 310.221 1.953 -5.810 1.00 0.00 H new ATOM 0 HA ASP B 15 309.628 1.670 -3.683 1.00 0.00 H new ATOM 0 HB2 ASP B 15 310.204 -1.032 -4.488 1.00 0.00 H new ATOM 0 HB3 ASP B 15 310.856 -0.802 -2.878 1.00 0.00 H new ATOM 1515 N HIS B 16 311.796 2.793 -2.940 1.00 0.00 N ATOM 1516 CA HIS B 16 312.905 3.429 -2.230 1.00 0.00 C ATOM 1517 C HIS B 16 313.717 2.504 -1.332 1.00 0.00 C ATOM 1518 O HIS B 16 313.224 1.522 -0.786 1.00 0.00 O ATOM 1519 CB HIS B 16 312.413 4.599 -1.388 1.00 0.00 C ATOM 1520 CG HIS B 16 312.375 5.898 -2.124 1.00 0.00 C ATOM 1521 ND1 HIS B 16 313.327 6.844 -2.287 1.00 0.00 N flip ATOM 1522 CD2 HIS B 16 311.264 6.355 -2.798 1.00 0.00 C flip ATOM 1523 CE1 HIS B 16 312.782 7.844 -3.048 1.00 0.00 C flip ATOM 1524 NE2 HIS B 16 311.536 7.526 -3.345 1.00 0.00 N flip ATOM 0 H HIS B 16 311.105 3.459 -3.286 1.00 0.00 H new ATOM 0 HA HIS B 16 313.570 3.761 -3.027 1.00 0.00 H new ATOM 0 HB2 HIS B 16 311.413 4.373 -1.018 1.00 0.00 H new ATOM 0 HB3 HIS B 16 313.059 4.705 -0.517 1.00 0.00 H new ATOM 0 HD2 HIS B 16 310.319 5.837 -2.868 1.00 0.00 H new ATOM 0 HE1 HIS B 16 313.290 8.746 -3.355 1.00 0.00 H new ATOM 0 HE2 HIS B 16 310.893 8.089 -3.902 1.00 0.00 H new ATOM 1533 N ILE B 17 314.966 2.901 -1.157 1.00 0.00 N ATOM 1534 CA ILE B 17 315.918 2.213 -0.296 1.00 0.00 C ATOM 1535 C ILE B 17 316.807 3.243 0.342 1.00 0.00 C ATOM 1536 O ILE B 17 316.912 4.365 -0.154 1.00 0.00 O ATOM 1537 CB ILE B 17 316.835 1.214 -1.046 1.00 0.00 C ATOM 1538 CG1 ILE B 17 317.824 1.959 -1.969 1.00 0.00 C ATOM 1539 CG2 ILE B 17 316.006 0.204 -1.823 1.00 0.00 C ATOM 1540 CD1 ILE B 17 318.682 1.060 -2.840 1.00 0.00 C ATOM 0 H ILE B 17 315.355 3.724 -1.616 1.00 0.00 H new ATOM 0 HA ILE B 17 315.331 1.644 0.425 1.00 0.00 H new ATOM 0 HB ILE B 17 317.422 0.667 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE B 17 317.260 2.634 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE B 17 318.478 2.577 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE B 17 316.669 -0.488 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE B 17 315.369 -0.351 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE B 17 315.385 0.726 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE B 17 319.344 1.672 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE B 17 319.278 0.402 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE B 17 318.041 0.460 -3.486 1.00 0.00 H new ATOM 1552 N ASN B 18 317.470 2.880 1.416 1.00 0.00 N ATOM 1553 CA ASN B 18 318.361 3.803 2.066 1.00 0.00 C ATOM 1554 C ASN B 18 319.711 3.714 1.385 1.00 0.00 C ATOM 1555 O ASN B 18 320.226 2.622 1.156 1.00 0.00 O ATOM 1556 CB ASN B 18 318.524 3.439 3.547 1.00 0.00 C ATOM 1557 CG ASN B 18 318.948 4.610 4.399 1.00 0.00 C ATOM 1558 OD1 ASN B 18 318.314 5.748 4.199 1.00 0.00 O flip ATOM 1559 ND2 ASN B 18 319.844 4.491 5.235 1.00 0.00 N flip ATOM 0 H ASN B 18 317.408 1.960 1.852 1.00 0.00 H new ATOM 0 HA ASN B 18 317.954 4.812 1.997 1.00 0.00 H new ATOM 0 HB2 ASN B 18 317.580 3.045 3.925 1.00 0.00 H new ATOM 0 HB3 ASN B 18 319.262 2.643 3.641 1.00 0.00 H new ATOM 0 HD21 ASN B 18 320.310 3.592 5.359 1.00 0.00 H new ATOM 0 HD22 ASN B 18 320.120 5.291 5.804 1.00 0.00 H new ATOM 1566 N LEU B 19 320.296 4.850 1.094 1.00 0.00 N ATOM 1567 CA LEU B 19 321.598 4.875 0.485 1.00 0.00 C ATOM 1568 C LEU B 19 322.561 5.573 1.411 1.00 0.00 C ATOM 1569 O LEU B 19 322.150 6.212 2.371 1.00 0.00 O ATOM 1570 CB LEU B 19 321.577 5.517 -0.913 1.00 0.00 C ATOM 1571 CG LEU B 19 321.669 4.463 -2.032 1.00 0.00 C ATOM 1572 CD1 LEU B 19 321.705 5.086 -3.411 1.00 0.00 C ATOM 1573 CD2 LEU B 19 322.875 3.549 -1.824 1.00 0.00 C ATOM 0 H LEU B 19 319.889 5.768 1.270 1.00 0.00 H new ATOM 0 HA LEU B 19 321.932 3.849 0.331 1.00 0.00 H new ATOM 0 HB2 LEU B 19 320.660 6.095 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU B 19 322.408 6.216 -1.004 1.00 0.00 H new ATOM 0 HG LEU B 19 320.761 3.863 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 19 321.770 4.300 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU B 19 320.797 5.668 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU B 19 322.574 5.739 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU B 19 322.917 2.814 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU B 19 323.788 4.144 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU B 19 322.782 3.036 -0.867 1.00 0.00 H new ATOM 1585 N LYS B 20 323.834 5.418 1.150 1.00 0.00 N ATOM 1586 CA LYS B 20 324.844 6.019 1.989 1.00 0.00 C ATOM 1587 C LYS B 20 325.934 6.616 1.133 1.00 0.00 C ATOM 1588 O LYS B 20 326.410 5.976 0.205 1.00 0.00 O ATOM 1589 CB LYS B 20 325.464 4.969 2.901 1.00 0.00 C ATOM 1590 CG LYS B 20 325.533 5.396 4.324 1.00 0.00 C ATOM 1591 CD LYS B 20 325.683 4.233 5.299 1.00 0.00 C ATOM 1592 CE LYS B 20 325.982 2.893 4.638 1.00 0.00 C ATOM 1593 NZ LYS B 20 326.978 2.107 5.415 1.00 0.00 N ATOM 0 H LYS B 20 324.198 4.881 0.363 1.00 0.00 H new ATOM 0 HA LYS B 20 324.373 6.797 2.590 1.00 0.00 H new ATOM 0 HB2 LYS B 20 324.884 4.049 2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 20 326.469 4.739 2.548 1.00 0.00 H new ATOM 0 HG2 LYS B 20 326.374 6.077 4.451 1.00 0.00 H new ATOM 0 HG3 LYS B 20 324.630 5.954 4.572 1.00 0.00 H new ATOM 0 HD2 LYS B 20 326.484 4.465 6.002 1.00 0.00 H new ATOM 0 HD3 LYS B 20 324.765 4.141 5.880 1.00 0.00 H new ATOM 0 HE2 LYS B 20 325.060 2.320 4.543 1.00 0.00 H new ATOM 0 HE3 LYS B 20 326.358 3.061 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 327.157 1.202 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 327.866 2.643 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 326.608 1.926 6.370 1.00 0.00 H new ATOM 1607 N VAL B 21 326.350 7.821 1.440 1.00 0.00 N ATOM 1608 CA VAL B 21 327.417 8.446 0.685 1.00 0.00 C ATOM 1609 C VAL B 21 328.586 8.716 1.616 1.00 0.00 C ATOM 1610 O VAL B 21 328.423 9.297 2.684 1.00 0.00 O ATOM 1611 CB VAL B 21 326.973 9.750 -0.012 1.00 0.00 C ATOM 1612 CG1 VAL B 21 327.809 9.982 -1.261 1.00 0.00 C ATOM 1613 CG2 VAL B 21 325.487 9.699 -0.361 1.00 0.00 C ATOM 0 H VAL B 21 325.972 8.387 2.200 1.00 0.00 H new ATOM 0 HA VAL B 21 327.712 7.759 -0.108 1.00 0.00 H new ATOM 0 HB VAL B 21 327.129 10.582 0.674 1.00 0.00 H new ATOM 0 HG11 VAL B 21 327.489 10.904 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL B 21 328.860 10.063 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL B 21 327.677 9.146 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL B 21 325.196 10.628 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL B 21 325.299 8.861 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL B 21 324.903 9.572 0.551 1.00 0.00 H new ATOM 1623 N ALA B 22 329.762 8.287 1.210 1.00 0.00 N ATOM 1624 CA ALA B 22 330.954 8.484 2.012 1.00 0.00 C ATOM 1625 C ALA B 22 331.768 9.617 1.416 1.00 0.00 C ATOM 1626 O ALA B 22 332.035 9.618 0.225 1.00 0.00 O ATOM 1627 CB ALA B 22 331.749 7.189 2.078 1.00 0.00 C ATOM 0 H ALA B 22 329.920 7.799 0.328 1.00 0.00 H new ATOM 0 HA ALA B 22 330.686 8.756 3.033 1.00 0.00 H new ATOM 0 HB1 ALA B 22 332.644 7.342 2.682 1.00 0.00 H new ATOM 0 HB2 ALA B 22 331.136 6.408 2.529 1.00 0.00 H new ATOM 0 HB3 ALA B 22 332.038 6.888 1.071 1.00 0.00 H new ATOM 1633 N GLY B 23 332.126 10.606 2.223 1.00 0.00 N ATOM 1634 CA GLY B 23 332.864 11.733 1.683 1.00 0.00 C ATOM 1635 C GLY B 23 334.266 11.882 2.214 1.00 0.00 C ATOM 1636 O GLY B 23 334.487 11.999 3.419 1.00 0.00 O ATOM 0 H GLY B 23 331.925 10.651 3.222 1.00 0.00 H new ATOM 0 HA2 GLY B 23 332.910 11.633 0.599 1.00 0.00 H new ATOM 0 HA3 GLY B 23 332.311 12.648 1.896 1.00 0.00 H new ATOM 1640 N GLN B 24 335.215 11.888 1.279 1.00 0.00 N ATOM 1641 CA GLN B 24 336.631 12.036 1.586 1.00 0.00 C ATOM 1642 C GLN B 24 337.203 10.812 2.301 1.00 0.00 C ATOM 1643 O GLN B 24 338.325 10.403 2.008 1.00 0.00 O ATOM 1644 CB GLN B 24 336.861 13.309 2.385 1.00 0.00 C ATOM 1645 CG GLN B 24 336.618 14.569 1.565 1.00 0.00 C ATOM 1646 CD GLN B 24 337.199 15.808 2.216 1.00 0.00 C ATOM 1647 OE1 GLN B 24 338.344 16.180 1.960 1.00 0.00 O ATOM 1648 NE2 GLN B 24 336.408 16.453 3.064 1.00 0.00 N ATOM 0 H GLN B 24 335.019 11.790 0.283 1.00 0.00 H new ATOM 0 HA GLN B 24 337.170 12.115 0.642 1.00 0.00 H new ATOM 0 HB2 GLN B 24 336.202 13.312 3.253 1.00 0.00 H new ATOM 0 HB3 GLN B 24 337.884 13.317 2.762 1.00 0.00 H new ATOM 0 HG2 GLN B 24 337.056 14.444 0.575 1.00 0.00 H new ATOM 0 HG3 GLN B 24 335.546 14.706 1.424 1.00 0.00 H new ATOM 0 HE21 GLN B 24 335.466 16.108 3.246 1.00 0.00 H new ATOM 0 HE22 GLN B 24 336.742 17.294 3.534 1.00 0.00 H new ATOM 1657 N ASP B 25 336.428 10.224 3.222 1.00 0.00 N ATOM 1658 CA ASP B 25 336.850 9.030 3.972 1.00 0.00 C ATOM 1659 C ASP B 25 336.297 9.067 5.393 1.00 0.00 C ATOM 1660 O ASP B 25 335.690 8.102 5.857 1.00 0.00 O ATOM 1661 CB ASP B 25 338.380 8.893 4.022 1.00 0.00 C ATOM 1662 CG ASP B 25 338.848 7.839 5.010 1.00 0.00 C ATOM 1663 OD1 ASP B 25 339.027 8.178 6.199 1.00 0.00 O ATOM 1664 OD2 ASP B 25 339.033 6.676 4.594 1.00 0.00 O ATOM 0 H ASP B 25 335.496 10.559 3.468 1.00 0.00 H new ATOM 0 HA ASP B 25 336.449 8.165 3.445 1.00 0.00 H new ATOM 0 HB2 ASP B 25 338.750 8.641 3.028 1.00 0.00 H new ATOM 0 HB3 ASP B 25 338.817 9.855 4.291 1.00 0.00 H new ATOM 1669 N GLY B 26 336.533 10.185 6.076 1.00 0.00 N ATOM 1670 CA GLY B 26 336.084 10.362 7.451 1.00 0.00 C ATOM 1671 C GLY B 26 334.868 9.531 7.829 1.00 0.00 C ATOM 1672 O GLY B 26 335.004 8.428 8.357 1.00 0.00 O ATOM 0 H GLY B 26 337.036 10.986 5.694 1.00 0.00 H new ATOM 0 HA2 GLY B 26 336.904 10.109 8.123 1.00 0.00 H new ATOM 0 HA3 GLY B 26 335.853 11.415 7.612 1.00 0.00 H new ATOM 1676 N SER B 27 333.679 10.069 7.580 1.00 0.00 N ATOM 1677 CA SER B 27 332.440 9.376 7.924 1.00 0.00 C ATOM 1678 C SER B 27 331.604 9.055 6.693 1.00 0.00 C ATOM 1679 O SER B 27 332.137 8.839 5.604 1.00 0.00 O ATOM 1680 CB SER B 27 331.636 10.217 8.921 1.00 0.00 C ATOM 1681 OG SER B 27 330.982 9.396 9.874 1.00 0.00 O ATOM 0 H SER B 27 333.546 10.981 7.142 1.00 0.00 H new ATOM 0 HA SER B 27 332.704 8.424 8.385 1.00 0.00 H new ATOM 0 HB2 SER B 27 332.301 10.914 9.432 1.00 0.00 H new ATOM 0 HB3 SER B 27 330.899 10.815 8.385 1.00 0.00 H new ATOM 0 HG SER B 27 330.478 9.958 10.499 1.00 0.00 H new ATOM 1687 N VAL B 28 330.292 8.995 6.884 1.00 0.00 N ATOM 1688 CA VAL B 28 329.378 8.667 5.811 1.00 0.00 C ATOM 1689 C VAL B 28 328.023 9.326 6.029 1.00 0.00 C ATOM 1690 O VAL B 28 327.668 9.701 7.147 1.00 0.00 O ATOM 1691 CB VAL B 28 329.199 7.135 5.725 1.00 0.00 C ATOM 1692 CG1 VAL B 28 328.867 6.566 7.095 1.00 0.00 C ATOM 1693 CG2 VAL B 28 328.124 6.752 4.707 1.00 0.00 C ATOM 0 H VAL B 28 329.840 9.172 7.781 1.00 0.00 H new ATOM 0 HA VAL B 28 329.799 9.041 4.878 1.00 0.00 H new ATOM 0 HB VAL B 28 330.141 6.706 5.384 1.00 0.00 H new ATOM 0 HG11 VAL B 28 328.743 5.486 7.020 1.00 0.00 H new ATOM 0 HG12 VAL B 28 329.677 6.791 7.789 1.00 0.00 H new ATOM 0 HG13 VAL B 28 327.942 7.012 7.460 1.00 0.00 H new ATOM 0 HG21 VAL B 28 328.025 5.667 4.673 1.00 0.00 H new ATOM 0 HG22 VAL B 28 327.172 7.194 5.000 1.00 0.00 H new ATOM 0 HG23 VAL B 28 328.408 7.121 3.722 1.00 0.00 H new ATOM 1703 N VAL B 29 327.256 9.413 4.957 1.00 0.00 N ATOM 1704 CA VAL B 29 325.914 9.963 5.009 1.00 0.00 C ATOM 1705 C VAL B 29 324.955 8.907 4.536 1.00 0.00 C ATOM 1706 O VAL B 29 325.333 8.020 3.778 1.00 0.00 O ATOM 1707 CB VAL B 29 325.722 11.225 4.159 1.00 0.00 C ATOM 1708 CG1 VAL B 29 326.045 12.466 4.969 1.00 0.00 C ATOM 1709 CG2 VAL B 29 326.549 11.143 2.899 1.00 0.00 C ATOM 0 H VAL B 29 327.545 9.105 4.029 1.00 0.00 H new ATOM 0 HA VAL B 29 325.730 10.258 6.042 1.00 0.00 H new ATOM 0 HB VAL B 29 324.676 11.295 3.860 1.00 0.00 H new ATOM 0 HG11 VAL B 29 325.903 13.352 4.350 1.00 0.00 H new ATOM 0 HG12 VAL B 29 325.384 12.518 5.834 1.00 0.00 H new ATOM 0 HG13 VAL B 29 327.081 12.421 5.306 1.00 0.00 H new ATOM 0 HG21 VAL B 29 326.401 12.046 2.307 1.00 0.00 H new ATOM 0 HG22 VAL B 29 327.603 11.049 3.161 1.00 0.00 H new ATOM 0 HG23 VAL B 29 326.241 10.274 2.318 1.00 0.00 H new ATOM 1719 N GLN B 30 323.736 8.975 5.009 1.00 0.00 N ATOM 1720 CA GLN B 30 322.743 7.978 4.645 1.00 0.00 C ATOM 1721 C GLN B 30 321.538 8.592 3.943 1.00 0.00 C ATOM 1722 O GLN B 30 320.729 9.301 4.542 1.00 0.00 O ATOM 1723 CB GLN B 30 322.325 7.222 5.891 1.00 0.00 C ATOM 1724 CG GLN B 30 322.993 5.868 6.040 1.00 0.00 C ATOM 1725 CD GLN B 30 322.394 5.036 7.157 1.00 0.00 C ATOM 1726 OE1 GLN B 30 321.891 3.856 6.812 1.00 0.00 O flip ATOM 1727 NE2 GLN B 30 322.385 5.449 8.317 1.00 0.00 N flip ATOM 0 H GLN B 30 323.402 9.702 5.642 1.00 0.00 H new ATOM 0 HA GLN B 30 323.191 7.288 3.930 1.00 0.00 H new ATOM 0 HB2 GLN B 30 322.555 7.829 6.767 1.00 0.00 H new ATOM 0 HB3 GLN B 30 321.244 7.083 5.875 1.00 0.00 H new ATOM 0 HG2 GLN B 30 322.909 5.321 5.101 1.00 0.00 H new ATOM 0 HG3 GLN B 30 324.057 6.012 6.231 1.00 0.00 H new ATOM 0 HE21 GLN B 30 322.783 6.362 8.536 1.00 0.00 H new ATOM 0 HE22 GLN B 30 321.980 4.878 9.059 1.00 0.00 H new ATOM 1736 N PHE B 31 321.451 8.301 2.657 1.00 0.00 N ATOM 1737 CA PHE B 31 320.389 8.780 1.798 1.00 0.00 C ATOM 1738 C PHE B 31 319.266 7.768 1.710 1.00 0.00 C ATOM 1739 O PHE B 31 319.428 6.615 2.082 1.00 0.00 O ATOM 1740 CB PHE B 31 320.963 8.998 0.386 1.00 0.00 C ATOM 1741 CG PHE B 31 321.875 10.187 0.301 1.00 0.00 C ATOM 1742 CD1 PHE B 31 322.825 10.421 1.284 1.00 0.00 C ATOM 1743 CD2 PHE B 31 321.779 11.077 -0.752 1.00 0.00 C ATOM 1744 CE1 PHE B 31 323.659 11.515 1.214 1.00 0.00 C ATOM 1745 CE2 PHE B 31 322.615 12.172 -0.825 1.00 0.00 C ATOM 1746 CZ PHE B 31 323.556 12.391 0.159 1.00 0.00 C ATOM 0 H PHE B 31 322.131 7.714 2.174 1.00 0.00 H new ATOM 0 HA PHE B 31 319.994 9.708 2.211 1.00 0.00 H new ATOM 0 HB2 PHE B 31 321.509 8.106 0.080 1.00 0.00 H new ATOM 0 HB3 PHE B 31 320.141 9.126 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE B 31 322.912 9.737 2.115 1.00 0.00 H new ATOM 0 HD2 PHE B 31 321.043 10.914 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE B 31 324.394 11.685 1.987 1.00 0.00 H new ATOM 0 HE2 PHE B 31 322.532 12.859 -1.654 1.00 0.00 H new ATOM 0 HZ PHE B 31 324.210 13.248 0.101 1.00 0.00 H new ATOM 1756 N LYS B 32 318.162 8.187 1.136 1.00 0.00 N ATOM 1757 CA LYS B 32 317.053 7.293 0.883 1.00 0.00 C ATOM 1758 C LYS B 32 316.599 7.610 -0.514 1.00 0.00 C ATOM 1759 O LYS B 32 316.047 8.676 -0.787 1.00 0.00 O ATOM 1760 CB LYS B 32 315.921 7.422 1.907 1.00 0.00 C ATOM 1761 CG LYS B 32 314.549 6.951 1.407 1.00 0.00 C ATOM 1762 CD LYS B 32 313.433 7.885 1.864 1.00 0.00 C ATOM 1763 CE LYS B 32 312.621 7.297 3.015 1.00 0.00 C ATOM 1764 NZ LYS B 32 312.691 8.141 4.241 1.00 0.00 N ATOM 0 H LYS B 32 318.006 9.148 0.833 1.00 0.00 H new ATOM 0 HA LYS B 32 317.366 6.253 0.981 1.00 0.00 H new ATOM 0 HB2 LYS B 32 316.186 6.848 2.795 1.00 0.00 H new ATOM 0 HB3 LYS B 32 315.843 8.465 2.213 1.00 0.00 H new ATOM 0 HG2 LYS B 32 314.557 6.898 0.318 1.00 0.00 H new ATOM 0 HG3 LYS B 32 314.354 5.943 1.774 1.00 0.00 H new ATOM 0 HD2 LYS B 32 313.863 8.837 2.175 1.00 0.00 H new ATOM 0 HD3 LYS B 32 312.770 8.094 1.024 1.00 0.00 H new ATOM 0 HE2 LYS B 32 311.581 7.192 2.707 1.00 0.00 H new ATOM 0 HE3 LYS B 32 312.989 6.297 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 312.125 7.704 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 313.680 8.221 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 312.316 9.088 4.032 1.00 0.00 H new ATOM 1778 N ILE B 33 316.891 6.694 -1.399 1.00 0.00 N ATOM 1779 CA ILE B 33 316.581 6.862 -2.789 1.00 0.00 C ATOM 1780 C ILE B 33 315.970 5.594 -3.337 1.00 0.00 C ATOM 1781 O ILE B 33 316.316 4.499 -2.899 1.00 0.00 O ATOM 1782 CB ILE B 33 317.851 7.220 -3.585 1.00 0.00 C ATOM 1783 CG1 ILE B 33 317.458 7.554 -5.024 1.00 0.00 C ATOM 1784 CG2 ILE B 33 318.855 6.077 -3.532 1.00 0.00 C ATOM 1785 CD1 ILE B 33 318.624 7.819 -5.941 1.00 0.00 C ATOM 0 H ILE B 33 317.350 5.812 -1.174 1.00 0.00 H new ATOM 0 HA ILE B 33 315.865 7.678 -2.890 1.00 0.00 H new ATOM 0 HB ILE B 33 318.332 8.092 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE B 33 316.873 6.728 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE B 33 316.810 8.431 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE B 33 319.745 6.348 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE B 33 319.131 5.883 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE B 33 318.409 5.181 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE B 33 318.256 8.048 -6.941 1.00 0.00 H new ATOM 0 HD12 ILE B 33 319.199 8.665 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE B 33 319.262 6.936 -5.982 1.00 0.00 H new ATOM 1797 N LYS B 34 315.065 5.728 -4.287 1.00 0.00 N ATOM 1798 CA LYS B 34 314.443 4.556 -4.856 1.00 0.00 C ATOM 1799 C LYS B 34 315.474 3.742 -5.621 1.00 0.00 C ATOM 1800 O LYS B 34 316.504 3.368 -5.058 1.00 0.00 O ATOM 1801 CB LYS B 34 313.237 4.929 -5.713 1.00 0.00 C ATOM 1802 CG LYS B 34 312.329 3.749 -6.040 1.00 0.00 C ATOM 1803 CD LYS B 34 311.407 4.071 -7.202 1.00 0.00 C ATOM 1804 CE LYS B 34 312.188 4.373 -8.474 1.00 0.00 C ATOM 1805 NZ LYS B 34 311.823 3.443 -9.576 1.00 0.00 N ATOM 0 H LYS B 34 314.751 6.619 -4.673 1.00 0.00 H new ATOM 0 HA LYS B 34 314.060 3.930 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS B 34 312.655 5.691 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS B 34 313.588 5.375 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS B 34 312.936 2.877 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS B 34 311.736 3.489 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS B 34 310.736 3.230 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS B 34 310.784 4.928 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS B 34 311.995 5.400 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS B 34 313.256 4.297 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 311.936 3.926 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 312.444 2.609 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 310.834 3.143 -9.463 1.00 0.00 H new ATOM 1819 N ARG B 35 315.199 3.418 -6.870 1.00 0.00 N ATOM 1820 CA ARG B 35 316.119 2.598 -7.628 1.00 0.00 C ATOM 1821 C ARG B 35 316.288 3.091 -9.059 1.00 0.00 C ATOM 1822 O ARG B 35 317.349 3.594 -9.428 1.00 0.00 O ATOM 1823 CB ARG B 35 315.596 1.174 -7.609 1.00 0.00 C ATOM 1824 CG ARG B 35 315.795 0.465 -6.283 1.00 0.00 C ATOM 1825 CD ARG B 35 316.937 -0.527 -6.350 1.00 0.00 C ATOM 1826 NE ARG B 35 317.379 -0.950 -5.028 1.00 0.00 N ATOM 1827 CZ ARG B 35 316.655 -1.722 -4.224 1.00 0.00 C ATOM 1828 NH1 ARG B 35 315.458 -2.152 -4.606 1.00 0.00 N ATOM 1829 NH2 ARG B 35 317.131 -2.068 -3.038 1.00 0.00 N ATOM 0 H ARG B 35 314.360 3.705 -7.373 1.00 0.00 H new ATOM 0 HA ARG B 35 317.107 2.653 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG B 35 314.533 1.184 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG B 35 316.094 0.604 -8.393 1.00 0.00 H new ATOM 0 HG2 ARG B 35 315.995 1.200 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG B 35 314.877 -0.053 -6.005 1.00 0.00 H new ATOM 0 HD2 ARG B 35 316.624 -1.400 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG B 35 317.774 -0.078 -6.885 1.00 0.00 H new ATOM 0 HE ARG B 35 318.293 -0.637 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG B 35 315.090 -1.890 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG B 35 314.907 -2.744 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG B 35 318.051 -1.742 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG B 35 316.577 -2.660 -2.419 1.00 0.00 H new ATOM 1843 N HIS B 36 315.243 2.946 -9.866 1.00 0.00 N ATOM 1844 CA HIS B 36 315.289 3.378 -11.260 1.00 0.00 C ATOM 1845 C HIS B 36 315.381 4.910 -11.365 1.00 0.00 C ATOM 1846 O HIS B 36 315.196 5.487 -12.436 1.00 0.00 O ATOM 1847 CB HIS B 36 314.064 2.824 -12.013 1.00 0.00 C ATOM 1848 CG HIS B 36 313.731 3.543 -13.285 1.00 0.00 C ATOM 1849 ND1 HIS B 36 312.779 4.538 -13.362 1.00 0.00 N ATOM 1850 CD2 HIS B 36 314.232 3.408 -14.536 1.00 0.00 C ATOM 1851 CE1 HIS B 36 312.707 4.982 -14.604 1.00 0.00 C ATOM 1852 NE2 HIS B 36 313.579 4.314 -15.336 1.00 0.00 N ATOM 0 H HIS B 36 314.355 2.534 -9.581 1.00 0.00 H new ATOM 0 HA HIS B 36 316.189 2.978 -11.727 1.00 0.00 H new ATOM 0 HB2 HIS B 36 314.240 1.773 -12.242 1.00 0.00 H new ATOM 0 HB3 HIS B 36 313.199 2.866 -11.351 1.00 0.00 H new ATOM 0 HD2 HIS B 36 315.002 2.717 -14.847 1.00 0.00 H new ATOM 0 HE1 HIS B 36 312.047 5.759 -14.960 1.00 0.00 H new ATOM 0 HE2 HIS B 36 313.742 4.449 -16.334 1.00 0.00 H new ATOM 1861 N THR B 37 315.690 5.558 -10.243 1.00 0.00 N ATOM 1862 CA THR B 37 315.827 7.006 -10.203 1.00 0.00 C ATOM 1863 C THR B 37 317.282 7.431 -10.271 1.00 0.00 C ATOM 1864 O THR B 37 318.068 7.145 -9.368 1.00 0.00 O ATOM 1865 CB THR B 37 315.227 7.579 -8.923 1.00 0.00 C ATOM 1866 OG1 THR B 37 313.822 7.718 -9.037 1.00 0.00 O ATOM 1867 CG2 THR B 37 315.806 8.935 -8.569 1.00 0.00 C ATOM 0 H THR B 37 315.850 5.097 -9.347 1.00 0.00 H new ATOM 0 HA THR B 37 315.293 7.391 -11.072 1.00 0.00 H new ATOM 0 HB THR B 37 315.476 6.870 -8.134 1.00 0.00 H new ATOM 0 HG1 THR B 37 313.461 8.085 -8.203 1.00 0.00 H new ATOM 0 HG21 THR B 37 315.346 9.299 -7.650 1.00 0.00 H new ATOM 0 HG22 THR B 37 316.883 8.844 -8.424 1.00 0.00 H new ATOM 0 HG23 THR B 37 315.607 9.638 -9.378 1.00 0.00 H new ATOM 1875 N PRO B 38 317.638 8.162 -11.329 1.00 0.00 N ATOM 1876 CA PRO B 38 318.977 8.692 -11.518 1.00 0.00 C ATOM 1877 C PRO B 38 319.614 9.077 -10.192 1.00 0.00 C ATOM 1878 O PRO B 38 318.919 9.472 -9.255 1.00 0.00 O ATOM 1879 CB PRO B 38 318.731 9.938 -12.354 1.00 0.00 C ATOM 1880 CG PRO B 38 317.395 9.752 -13.011 1.00 0.00 C ATOM 1881 CD PRO B 38 316.742 8.554 -12.414 1.00 0.00 C ATOM 0 HA PRO B 38 319.653 7.972 -11.978 1.00 0.00 H new ATOM 0 HB2 PRO B 38 318.735 10.831 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO B 38 319.516 10.066 -13.100 1.00 0.00 H new ATOM 0 HG2 PRO B 38 316.774 10.636 -12.864 1.00 0.00 H new ATOM 0 HG3 PRO B 38 317.516 9.622 -14.086 1.00 0.00 H new ATOM 0 HD2 PRO B 38 315.744 8.788 -12.042 1.00 0.00 H new ATOM 0 HD3 PRO B 38 316.630 7.755 -13.147 1.00 0.00 H new ATOM 1889 N LEU B 39 320.923 8.945 -10.104 1.00 0.00 N ATOM 1890 CA LEU B 39 321.618 9.264 -8.873 1.00 0.00 C ATOM 1891 C LEU B 39 321.841 10.756 -8.689 1.00 0.00 C ATOM 1892 O LEU B 39 322.087 11.197 -7.570 1.00 0.00 O ATOM 1893 CB LEU B 39 322.920 8.487 -8.783 1.00 0.00 C ATOM 1894 CG LEU B 39 322.731 7.084 -8.215 1.00 0.00 C ATOM 1895 CD1 LEU B 39 323.989 6.259 -8.377 1.00 0.00 C ATOM 1896 CD2 LEU B 39 322.330 7.158 -6.748 1.00 0.00 C ATOM 0 H LEU B 39 321.522 8.622 -10.863 1.00 0.00 H new ATOM 0 HA LEU B 39 320.973 8.956 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU B 39 323.365 8.416 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU B 39 323.623 9.036 -8.157 1.00 0.00 H new ATOM 0 HG LEU B 39 321.932 6.596 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU B 39 323.827 5.263 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU B 39 324.236 6.177 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU B 39 324.811 6.742 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU B 39 322.198 6.150 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU B 39 323.110 7.669 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU B 39 321.394 7.709 -6.654 1.00 0.00 H new ATOM 1908 N SER B 40 321.754 11.547 -9.760 1.00 0.00 N ATOM 1909 CA SER B 40 321.951 12.993 -9.657 1.00 0.00 C ATOM 1910 C SER B 40 321.081 13.619 -8.563 1.00 0.00 C ATOM 1911 O SER B 40 321.348 14.735 -8.117 1.00 0.00 O ATOM 1912 CB SER B 40 321.639 13.655 -11.000 1.00 0.00 C ATOM 1913 OG SER B 40 322.793 13.712 -11.821 1.00 0.00 O ATOM 0 H SER B 40 321.550 11.213 -10.702 1.00 0.00 H new ATOM 0 HA SER B 40 322.994 13.162 -9.388 1.00 0.00 H new ATOM 0 HB2 SER B 40 320.853 13.098 -11.510 1.00 0.00 H new ATOM 0 HB3 SER B 40 321.258 14.662 -10.833 1.00 0.00 H new ATOM 0 HG SER B 40 323.004 12.814 -12.152 1.00 0.00 H new ATOM 1919 N LYS B 41 320.064 12.890 -8.112 1.00 0.00 N ATOM 1920 CA LYS B 41 319.192 13.353 -7.060 1.00 0.00 C ATOM 1921 C LYS B 41 319.842 13.074 -5.702 1.00 0.00 C ATOM 1922 O LYS B 41 319.557 13.729 -4.698 1.00 0.00 O ATOM 1923 CB LYS B 41 317.889 12.601 -7.188 1.00 0.00 C ATOM 1924 CG LYS B 41 316.917 13.202 -8.187 1.00 0.00 C ATOM 1925 CD LYS B 41 316.284 12.114 -9.032 1.00 0.00 C ATOM 1926 CE LYS B 41 316.767 12.157 -10.469 1.00 0.00 C ATOM 1927 NZ LYS B 41 315.680 12.540 -11.411 1.00 0.00 N ATOM 0 H LYS B 41 319.829 11.965 -8.471 1.00 0.00 H new ATOM 0 HA LYS B 41 319.014 14.426 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS B 41 318.103 11.573 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS B 41 317.409 12.561 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS B 41 316.142 13.758 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS B 41 317.439 13.912 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS B 41 316.515 11.140 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS B 41 315.200 12.223 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS B 41 317.588 12.869 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS B 41 317.161 11.180 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 316.067 12.624 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 314.938 11.812 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 315.275 13.453 -11.121 1.00 0.00 H new ATOM 1941 N LEU B 42 320.731 12.086 -5.721 1.00 0.00 N ATOM 1942 CA LEU B 42 321.487 11.643 -4.571 1.00 0.00 C ATOM 1943 C LEU B 42 322.810 12.423 -4.471 1.00 0.00 C ATOM 1944 O LEU B 42 323.319 12.684 -3.386 1.00 0.00 O ATOM 1945 CB LEU B 42 321.736 10.140 -4.760 1.00 0.00 C ATOM 1946 CG LEU B 42 322.492 9.420 -3.653 1.00 0.00 C ATOM 1947 CD1 LEU B 42 322.366 7.922 -3.827 1.00 0.00 C ATOM 1948 CD2 LEU B 42 323.956 9.827 -3.666 1.00 0.00 C ATOM 0 H LEU B 42 320.947 11.560 -6.568 1.00 0.00 H new ATOM 0 HA LEU B 42 320.945 11.823 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU B 42 320.770 9.650 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU B 42 322.286 10.002 -5.691 1.00 0.00 H new ATOM 0 HG LEU B 42 322.059 9.701 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU B 42 322.911 7.416 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU B 42 321.314 7.638 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU B 42 322.782 7.631 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU B 42 324.486 9.305 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU B 42 324.398 9.566 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU B 42 324.036 10.903 -3.511 1.00 0.00 H new ATOM 1960 N MET B 43 323.378 12.738 -5.631 1.00 0.00 N ATOM 1961 CA MET B 43 324.672 13.434 -5.716 1.00 0.00 C ATOM 1962 C MET B 43 324.656 14.869 -5.167 1.00 0.00 C ATOM 1963 O MET B 43 325.661 15.330 -4.631 1.00 0.00 O ATOM 1964 CB MET B 43 325.177 13.460 -7.164 1.00 0.00 C ATOM 1965 CG MET B 43 324.814 12.227 -7.975 1.00 0.00 C ATOM 1966 SD MET B 43 325.578 10.722 -7.356 1.00 0.00 S ATOM 1967 CE MET B 43 326.896 10.515 -8.546 1.00 0.00 C ATOM 0 H MET B 43 322.963 12.523 -6.537 1.00 0.00 H new ATOM 0 HA MET B 43 325.346 12.859 -5.080 1.00 0.00 H new ATOM 0 HB2 MET B 43 324.771 14.341 -7.662 1.00 0.00 H new ATOM 0 HB3 MET B 43 326.261 13.569 -7.156 1.00 0.00 H new ATOM 0 HG2 MET B 43 323.731 12.104 -7.973 1.00 0.00 H new ATOM 0 HG3 MET B 43 325.115 12.380 -9.011 1.00 0.00 H new ATOM 0 HE1 MET B 43 327.592 9.755 -8.190 1.00 0.00 H new ATOM 0 HE2 MET B 43 326.477 10.203 -9.503 1.00 0.00 H new ATOM 0 HE3 MET B 43 327.424 11.460 -8.672 1.00 0.00 H new ATOM 1977 N LYS B 44 323.541 15.577 -5.312 1.00 0.00 N ATOM 1978 CA LYS B 44 323.458 16.966 -4.832 1.00 0.00 C ATOM 1979 C LYS B 44 323.041 17.063 -3.376 1.00 0.00 C ATOM 1980 O LYS B 44 323.281 18.083 -2.738 1.00 0.00 O ATOM 1981 CB LYS B 44 322.502 17.790 -5.670 1.00 0.00 C ATOM 1982 CG LYS B 44 322.428 19.264 -5.257 1.00 0.00 C ATOM 1983 CD LYS B 44 323.750 19.816 -4.754 1.00 0.00 C ATOM 1984 CE LYS B 44 324.370 20.762 -5.762 1.00 0.00 C ATOM 1985 NZ LYS B 44 323.702 22.093 -5.772 1.00 0.00 N ATOM 0 H LYS B 44 322.690 15.225 -5.750 1.00 0.00 H new ATOM 0 HA LYS B 44 324.468 17.365 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS B 44 322.806 17.730 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS B 44 321.506 17.353 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS B 44 322.096 19.856 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS B 44 321.675 19.378 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS B 44 323.593 20.338 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS B 44 324.437 18.994 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS B 44 325.428 20.891 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS B 44 324.310 20.320 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 324.160 22.706 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 322.698 21.976 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 323.781 22.528 -4.831 1.00 0.00 H new ATOM 1999 N ALA B 45 322.468 16.006 -2.819 1.00 0.00 N ATOM 2000 CA ALA B 45 322.100 16.053 -1.411 1.00 0.00 C ATOM 2001 C ALA B 45 323.361 16.168 -0.592 1.00 0.00 C ATOM 2002 O ALA B 45 323.479 17.031 0.276 1.00 0.00 O ATOM 2003 CB ALA B 45 321.310 14.828 -0.972 1.00 0.00 C ATOM 0 H ALA B 45 322.253 15.133 -3.300 1.00 0.00 H new ATOM 0 HA ALA B 45 321.453 16.917 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA B 45 321.062 14.915 0.086 1.00 0.00 H new ATOM 0 HB2 ALA B 45 320.392 14.759 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA B 45 321.910 13.932 -1.131 1.00 0.00 H new ATOM 2009 N TYR B 46 324.305 15.282 -0.882 1.00 0.00 N ATOM 2010 CA TYR B 46 325.568 15.271 -0.176 1.00 0.00 C ATOM 2011 C TYR B 46 326.265 16.603 -0.274 1.00 0.00 C ATOM 2012 O TYR B 46 327.088 16.948 0.571 1.00 0.00 O ATOM 2013 CB TYR B 46 326.499 14.187 -0.699 1.00 0.00 C ATOM 2014 CG TYR B 46 327.465 13.712 0.356 1.00 0.00 C ATOM 2015 CD1 TYR B 46 327.201 13.937 1.702 1.00 0.00 C ATOM 2016 CD2 TYR B 46 328.627 13.035 0.017 1.00 0.00 C ATOM 2017 CE1 TYR B 46 328.055 13.504 2.677 1.00 0.00 C ATOM 2018 CE2 TYR B 46 329.497 12.591 0.996 1.00 0.00 C ATOM 2019 CZ TYR B 46 329.205 12.825 2.327 1.00 0.00 C ATOM 2020 OH TYR B 46 330.065 12.386 3.306 1.00 0.00 O ATOM 0 H TYR B 46 324.215 14.565 -1.601 1.00 0.00 H new ATOM 0 HA TYR B 46 325.333 15.062 0.868 1.00 0.00 H new ATOM 0 HB2 TYR B 46 325.908 13.343 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR B 46 327.056 14.570 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR B 46 326.302 14.465 1.983 1.00 0.00 H new ATOM 0 HD2 TYR B 46 328.855 12.853 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR B 46 327.831 13.692 3.717 1.00 0.00 H new ATOM 0 HE2 TYR B 46 330.399 12.064 0.722 1.00 0.00 H new ATOM 0 HH TYR B 46 329.913 11.432 3.471 1.00 0.00 H new ATOM 2030 N CYS B 47 325.919 17.362 -1.289 1.00 0.00 N ATOM 2031 CA CYS B 47 326.486 18.669 -1.491 1.00 0.00 C ATOM 2032 C CYS B 47 325.794 19.631 -0.565 1.00 0.00 C ATOM 2033 O CYS B 47 326.394 20.192 0.340 1.00 0.00 O ATOM 2034 CB CYS B 47 326.220 19.058 -2.919 1.00 0.00 C ATOM 2035 SG CYS B 47 326.803 17.830 -4.082 1.00 0.00 S ATOM 0 H CYS B 47 325.237 17.088 -1.996 1.00 0.00 H new ATOM 0 HA CYS B 47 327.557 18.679 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS B 47 325.149 19.207 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS B 47 326.704 20.012 -3.129 1.00 0.00 H new ATOM 0 HG CYS B 47 326.206 16.698 -3.853 1.00 0.00 H new ATOM 2041 N GLU B 48 324.495 19.779 -0.773 1.00 0.00 N ATOM 2042 CA GLU B 48 323.704 20.634 0.080 1.00 0.00 C ATOM 2043 C GLU B 48 323.939 20.225 1.547 1.00 0.00 C ATOM 2044 O GLU B 48 323.654 20.981 2.477 1.00 0.00 O ATOM 2045 CB GLU B 48 322.226 20.550 -0.306 1.00 0.00 C ATOM 2046 CG GLU B 48 321.993 20.520 -1.816 1.00 0.00 C ATOM 2047 CD GLU B 48 320.553 20.808 -2.190 1.00 0.00 C ATOM 2048 OE1 GLU B 48 319.721 19.880 -2.105 1.00 0.00 O ATOM 2049 OE2 GLU B 48 320.257 21.961 -2.568 1.00 0.00 O ATOM 0 H GLU B 48 323.975 19.320 -1.521 1.00 0.00 H new ATOM 0 HA GLU B 48 324.007 21.674 -0.044 1.00 0.00 H new ATOM 0 HB2 GLU B 48 321.792 19.654 0.139 1.00 0.00 H new ATOM 0 HB3 GLU B 48 321.698 21.404 0.119 1.00 0.00 H new ATOM 0 HG2 GLU B 48 322.642 21.253 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU B 48 322.276 19.542 -2.204 1.00 0.00 H new ATOM 2056 N ARG B 49 324.491 19.008 1.722 1.00 0.00 N ATOM 2057 CA ARG B 49 324.816 18.437 3.015 1.00 0.00 C ATOM 2058 C ARG B 49 326.184 18.923 3.509 1.00 0.00 C ATOM 2059 O ARG B 49 326.335 19.332 4.660 1.00 0.00 O ATOM 2060 CB ARG B 49 324.865 16.918 2.857 1.00 0.00 C ATOM 2061 CG ARG B 49 323.723 16.173 3.520 1.00 0.00 C ATOM 2062 CD ARG B 49 323.358 14.916 2.747 1.00 0.00 C ATOM 2063 NE ARG B 49 322.074 15.076 2.067 1.00 0.00 N ATOM 2064 CZ ARG B 49 320.942 14.490 2.464 1.00 0.00 C ATOM 2065 NH1 ARG B 49 320.934 13.666 3.505 1.00 0.00 N ATOM 2066 NH2 ARG B 49 319.809 14.738 1.822 1.00 0.00 N ATOM 0 H ARG B 49 324.723 18.393 0.942 1.00 0.00 H new ATOM 0 HA ARG B 49 324.062 18.743 3.740 1.00 0.00 H new ATOM 0 HB2 ARG B 49 324.869 16.677 1.794 1.00 0.00 H new ATOM 0 HB3 ARG B 49 325.806 16.554 3.270 1.00 0.00 H new ATOM 0 HG2 ARG B 49 324.003 15.907 4.539 1.00 0.00 H new ATOM 0 HG3 ARG B 49 322.852 16.825 3.589 1.00 0.00 H new ATOM 0 HD2 ARG B 49 324.136 14.695 2.016 1.00 0.00 H new ATOM 0 HD3 ARG B 49 323.310 14.066 3.428 1.00 0.00 H new ATOM 0 HE ARG B 49 322.041 15.671 1.239 1.00 0.00 H new ATOM 0 HH11 ARG B 49 321.799 13.475 4.011 1.00 0.00 H new ATOM 0 HH12 ARG B 49 320.063 13.224 3.799 1.00 0.00 H new ATOM 0 HH21 ARG B 49 319.803 15.376 1.026 1.00 0.00 H new ATOM 0 HH22 ARG B 49 318.943 14.291 2.124 1.00 0.00 H new ATOM 2080 N GLN B 50 327.184 18.839 2.626 1.00 0.00 N ATOM 2081 CA GLN B 50 328.559 19.229 2.952 1.00 0.00 C ATOM 2082 C GLN B 50 328.947 20.570 2.340 1.00 0.00 C ATOM 2083 O GLN B 50 329.813 21.278 2.855 1.00 0.00 O ATOM 2084 CB GLN B 50 329.533 18.187 2.421 1.00 0.00 C ATOM 2085 CG GLN B 50 329.217 16.755 2.802 1.00 0.00 C ATOM 2086 CD GLN B 50 330.322 15.813 2.373 1.00 0.00 C ATOM 2087 OE1 GLN B 50 330.141 15.184 1.220 1.00 0.00 O flip ATOM 2088 NE2 GLN B 50 331.324 15.652 3.069 1.00 0.00 N flip ATOM 0 H GLN B 50 327.064 18.501 1.671 1.00 0.00 H new ATOM 0 HA GLN B 50 328.608 19.308 4.038 1.00 0.00 H new ATOM 0 HB2 GLN B 50 329.560 18.259 1.334 1.00 0.00 H new ATOM 0 HB3 GLN B 50 330.532 18.430 2.782 1.00 0.00 H new ATOM 0 HG2 GLN B 50 329.077 16.686 3.881 1.00 0.00 H new ATOM 0 HG3 GLN B 50 328.278 16.452 2.338 1.00 0.00 H new ATOM 0 HE21 GLN B 50 331.420 16.158 3.949 1.00 0.00 H new ATOM 0 HE22 GLN B 50 332.059 15.013 2.765 1.00 0.00 H new ATOM 2097 N GLY B 51 328.343 20.876 1.206 1.00 0.00 N ATOM 2098 CA GLY B 51 328.664 22.086 0.480 1.00 0.00 C ATOM 2099 C GLY B 51 329.561 21.739 -0.685 1.00 0.00 C ATOM 2100 O GLY B 51 330.681 22.237 -0.799 1.00 0.00 O ATOM 0 H GLY B 51 327.625 20.299 0.768 1.00 0.00 H new ATOM 0 HA2 GLY B 51 327.752 22.564 0.123 1.00 0.00 H new ATOM 0 HA3 GLY B 51 329.161 22.799 1.138 1.00 0.00 H new ATOM 2104 N LEU B 52 329.070 20.832 -1.525 1.00 0.00 N ATOM 2105 CA LEU B 52 329.822 20.341 -2.671 1.00 0.00 C ATOM 2106 C LEU B 52 329.152 20.690 -3.988 1.00 0.00 C ATOM 2107 O LEU B 52 327.957 20.496 -4.161 1.00 0.00 O ATOM 2108 CB LEU B 52 329.949 18.830 -2.571 1.00 0.00 C ATOM 2109 CG LEU B 52 330.355 18.324 -1.199 1.00 0.00 C ATOM 2110 CD1 LEU B 52 329.628 17.040 -0.858 1.00 0.00 C ATOM 2111 CD2 LEU B 52 331.850 18.138 -1.163 1.00 0.00 C ATOM 0 H LEU B 52 328.142 20.419 -1.429 1.00 0.00 H new ATOM 0 HA LEU B 52 330.801 20.820 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU B 52 328.995 18.379 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU B 52 330.683 18.490 -3.302 1.00 0.00 H new ATOM 0 HG LEU B 52 330.073 19.059 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU B 52 329.937 16.698 0.130 1.00 0.00 H new ATOM 0 HD12 LEU B 52 328.553 17.219 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU B 52 329.871 16.277 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 52 332.148 17.775 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU B 52 332.145 17.414 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU B 52 332.340 19.091 -1.361 1.00 0.00 H new ATOM 2123 N SER B 53 329.919 21.229 -4.911 1.00 0.00 N ATOM 2124 CA SER B 53 329.374 21.627 -6.213 1.00 0.00 C ATOM 2125 C SER B 53 328.433 20.564 -6.807 1.00 0.00 C ATOM 2126 O SER B 53 327.606 20.880 -7.661 1.00 0.00 O ATOM 2127 CB SER B 53 330.507 21.925 -7.196 1.00 0.00 C ATOM 2128 OG SER B 53 331.731 22.133 -6.514 1.00 0.00 O ATOM 0 H SER B 53 330.917 21.405 -4.796 1.00 0.00 H new ATOM 0 HA SER B 53 328.785 22.529 -6.047 1.00 0.00 H new ATOM 0 HB2 SER B 53 330.613 21.096 -7.896 1.00 0.00 H new ATOM 0 HB3 SER B 53 330.260 22.809 -7.784 1.00 0.00 H new ATOM 0 HG SER B 53 331.977 23.080 -6.565 1.00 0.00 H new ATOM 2134 N MET B 54 328.579 19.309 -6.363 1.00 0.00 N ATOM 2135 CA MET B 54 327.761 18.184 -6.852 1.00 0.00 C ATOM 2136 C MET B 54 328.367 17.605 -8.108 1.00 0.00 C ATOM 2137 O MET B 54 328.434 16.389 -8.286 1.00 0.00 O ATOM 2138 CB MET B 54 326.290 18.584 -7.098 1.00 0.00 C ATOM 2139 CG MET B 54 325.443 17.442 -7.620 1.00 0.00 C ATOM 2140 SD MET B 54 324.266 17.967 -8.883 1.00 0.00 S ATOM 2141 CE MET B 54 325.379 18.502 -10.179 1.00 0.00 C ATOM 0 H MET B 54 329.265 19.042 -5.657 1.00 0.00 H new ATOM 0 HA MET B 54 327.757 17.426 -6.069 1.00 0.00 H new ATOM 0 HB2 MET B 54 325.859 18.952 -6.167 1.00 0.00 H new ATOM 0 HB3 MET B 54 326.258 19.408 -7.811 1.00 0.00 H new ATOM 0 HG2 MET B 54 326.094 16.672 -8.034 1.00 0.00 H new ATOM 0 HG3 MET B 54 324.901 16.989 -6.790 1.00 0.00 H new ATOM 0 HE1 MET B 54 324.922 18.316 -11.151 1.00 0.00 H new ATOM 0 HE2 MET B 54 325.579 19.568 -10.070 1.00 0.00 H new ATOM 0 HE3 MET B 54 326.315 17.948 -10.106 1.00 0.00 H new ATOM 2151 N ARG B 55 328.823 18.486 -8.963 1.00 0.00 N ATOM 2152 CA ARG B 55 329.450 18.096 -10.203 1.00 0.00 C ATOM 2153 C ARG B 55 330.946 17.943 -9.981 1.00 0.00 C ATOM 2154 O ARG B 55 331.630 17.243 -10.728 1.00 0.00 O ATOM 2155 CB ARG B 55 329.174 19.154 -11.274 1.00 0.00 C ATOM 2156 CG ARG B 55 328.727 20.490 -10.693 1.00 0.00 C ATOM 2157 CD ARG B 55 328.594 21.563 -11.761 1.00 0.00 C ATOM 2158 NE ARG B 55 329.677 21.506 -12.741 1.00 0.00 N ATOM 2159 CZ ARG B 55 329.652 20.748 -13.837 1.00 0.00 C ATOM 2160 NH1 ARG B 55 328.609 19.967 -14.092 1.00 0.00 N ATOM 2161 NH2 ARG B 55 330.676 20.769 -14.679 1.00 0.00 N ATOM 0 H ARG B 55 328.770 19.495 -8.820 1.00 0.00 H new ATOM 0 HA ARG B 55 329.041 17.144 -10.541 1.00 0.00 H new ATOM 0 HB2 ARG B 55 330.076 19.306 -11.867 1.00 0.00 H new ATOM 0 HB3 ARG B 55 328.405 18.784 -11.952 1.00 0.00 H new ATOM 0 HG2 ARG B 55 327.770 20.363 -10.187 1.00 0.00 H new ATOM 0 HG3 ARG B 55 329.445 20.816 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG B 55 327.638 21.448 -12.272 1.00 0.00 H new ATOM 0 HD3 ARG B 55 328.586 22.545 -11.288 1.00 0.00 H new ATOM 0 HE ARG B 55 330.503 22.082 -12.576 1.00 0.00 H new ATOM 0 HH11 ARG B 55 327.819 19.944 -13.447 1.00 0.00 H new ATOM 0 HH12 ARG B 55 328.598 19.390 -14.933 1.00 0.00 H new ATOM 0 HH21 ARG B 55 331.482 21.365 -14.488 1.00 0.00 H new ATOM 0 HH22 ARG B 55 330.658 20.189 -15.518 1.00 0.00 H new ATOM 2175 N GLN B 56 331.454 18.630 -8.957 1.00 0.00 N ATOM 2176 CA GLN B 56 332.868 18.609 -8.635 1.00 0.00 C ATOM 2177 C GLN B 56 333.280 17.377 -7.829 1.00 0.00 C ATOM 2178 O GLN B 56 334.411 16.923 -7.963 1.00 0.00 O ATOM 2179 CB GLN B 56 333.217 19.873 -7.858 1.00 0.00 C ATOM 2180 CG GLN B 56 333.707 21.004 -8.745 1.00 0.00 C ATOM 2181 CD GLN B 56 334.035 22.262 -7.966 1.00 0.00 C ATOM 2182 OE1 GLN B 56 333.510 23.338 -8.252 1.00 0.00 O ATOM 2183 NE2 GLN B 56 334.909 22.133 -6.975 1.00 0.00 N ATOM 0 H GLN B 56 330.894 19.212 -8.334 1.00 0.00 H new ATOM 0 HA GLN B 56 333.418 18.565 -9.575 1.00 0.00 H new ATOM 0 HB2 GLN B 56 332.338 20.207 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN B 56 333.985 19.638 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN B 56 334.594 20.676 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN B 56 332.944 21.232 -9.490 1.00 0.00 H new ATOM 0 HE21 GLN B 56 335.320 21.222 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN B 56 335.170 22.945 -6.416 1.00 0.00 H new ATOM 2192 N ILE B 57 332.374 16.821 -7.013 1.00 0.00 N ATOM 2193 CA ILE B 57 332.725 15.640 -6.238 1.00 0.00 C ATOM 2194 C ILE B 57 332.770 14.441 -7.140 1.00 0.00 C ATOM 2195 O ILE B 57 332.366 14.499 -8.302 1.00 0.00 O ATOM 2196 CB ILE B 57 331.778 15.315 -5.069 1.00 0.00 C ATOM 2197 CG1 ILE B 57 330.326 15.448 -5.490 1.00 0.00 C ATOM 2198 CG2 ILE B 57 332.076 16.165 -3.847 1.00 0.00 C ATOM 2199 CD1 ILE B 57 329.460 16.004 -4.398 1.00 0.00 C ATOM 0 H ILE B 57 331.422 17.163 -6.879 1.00 0.00 H new ATOM 0 HA ILE B 57 333.695 15.873 -5.799 1.00 0.00 H new ATOM 0 HB ILE B 57 331.954 14.276 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE B 57 330.262 16.095 -6.365 1.00 0.00 H new ATOM 0 HG13 ILE B 57 329.947 14.471 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE B 57 331.385 15.904 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE B 57 333.099 15.983 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE B 57 331.958 17.219 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE B 57 328.432 16.079 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE B 57 329.499 15.344 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE B 57 329.820 16.994 -4.117 1.00 0.00 H new ATOM 2211 N ARG B 58 333.263 13.355 -6.601 1.00 0.00 N ATOM 2212 CA ARG B 58 333.374 12.124 -7.339 1.00 0.00 C ATOM 2213 C ARG B 58 332.765 11.018 -6.505 1.00 0.00 C ATOM 2214 O ARG B 58 333.241 10.737 -5.408 1.00 0.00 O ATOM 2215 CB ARG B 58 334.840 11.831 -7.638 1.00 0.00 C ATOM 2216 CG ARG B 58 335.742 13.039 -7.427 1.00 0.00 C ATOM 2217 CD ARG B 58 335.593 14.061 -8.535 1.00 0.00 C ATOM 2218 NE ARG B 58 336.308 15.300 -8.242 1.00 0.00 N ATOM 2219 CZ ARG B 58 337.635 15.408 -8.245 1.00 0.00 C ATOM 2220 NH1 ARG B 58 338.394 14.356 -8.526 1.00 0.00 N ATOM 2221 NH2 ARG B 58 338.206 16.573 -7.971 1.00 0.00 N ATOM 0 H ARG B 58 333.598 13.300 -5.639 1.00 0.00 H new ATOM 0 HA ARG B 58 332.846 12.198 -8.290 1.00 0.00 H new ATOM 0 HB2 ARG B 58 335.179 11.015 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG B 58 334.934 11.490 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG B 58 335.506 13.505 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG B 58 336.780 12.711 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG B 58 335.967 13.640 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG B 58 334.536 14.280 -8.685 1.00 0.00 H new ATOM 0 HE ARG B 58 335.759 16.131 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG B 58 337.961 13.458 -8.741 1.00 0.00 H new ATOM 0 HH12 ARG B 58 339.410 14.446 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG B 58 337.629 17.386 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG B 58 339.223 16.656 -7.973 1.00 0.00 H new ATOM 2235 N PHE B 59 331.718 10.394 -7.009 1.00 0.00 N ATOM 2236 CA PHE B 59 331.063 9.327 -6.272 1.00 0.00 C ATOM 2237 C PHE B 59 331.442 7.978 -6.838 1.00 0.00 C ATOM 2238 O PHE B 59 331.785 7.863 -8.015 1.00 0.00 O ATOM 2239 CB PHE B 59 329.542 9.448 -6.347 1.00 0.00 C ATOM 2240 CG PHE B 59 328.928 10.547 -5.527 1.00 0.00 C ATOM 2241 CD1 PHE B 59 329.631 11.692 -5.183 1.00 0.00 C ATOM 2242 CD2 PHE B 59 327.618 10.425 -5.108 1.00 0.00 C ATOM 2243 CE1 PHE B 59 329.028 12.684 -4.436 1.00 0.00 C ATOM 2244 CE2 PHE B 59 327.015 11.412 -4.364 1.00 0.00 C ATOM 2245 CZ PHE B 59 327.721 12.545 -4.025 1.00 0.00 C ATOM 0 H PHE B 59 331.304 10.604 -7.918 1.00 0.00 H new ATOM 0 HA PHE B 59 331.390 9.415 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE B 59 329.260 9.598 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE B 59 329.106 8.500 -6.032 1.00 0.00 H new ATOM 0 HD1 PHE B 59 330.656 11.808 -5.501 1.00 0.00 H new ATOM 0 HD2 PHE B 59 327.057 9.540 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE B 59 329.583 13.572 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE B 59 325.989 11.299 -4.046 1.00 0.00 H new ATOM 0 HZ PHE B 59 327.251 13.321 -3.439 1.00 0.00 H new ATOM 2255 N ARG B 60 331.335 6.949 -6.017 1.00 0.00 N ATOM 2256 CA ARG B 60 331.620 5.606 -6.461 1.00 0.00 C ATOM 2257 C ARG B 60 330.807 4.616 -5.655 1.00 0.00 C ATOM 2258 O ARG B 60 330.667 4.737 -4.438 1.00 0.00 O ATOM 2259 CB ARG B 60 333.108 5.260 -6.355 1.00 0.00 C ATOM 2260 CG ARG B 60 333.597 4.403 -7.511 1.00 0.00 C ATOM 2261 CD ARG B 60 334.571 3.333 -7.049 1.00 0.00 C ATOM 2262 NE ARG B 60 334.890 2.387 -8.116 1.00 0.00 N ATOM 2263 CZ ARG B 60 335.956 1.590 -8.107 1.00 0.00 C ATOM 2264 NH1 ARG B 60 336.806 1.619 -7.089 1.00 0.00 N ATOM 2265 NH2 ARG B 60 336.171 0.760 -9.119 1.00 0.00 N ATOM 0 H ARG B 60 331.052 7.023 -5.040 1.00 0.00 H new ATOM 0 HA ARG B 60 331.346 5.547 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG B 60 333.689 6.182 -6.321 1.00 0.00 H new ATOM 0 HB3 ARG B 60 333.288 4.734 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG B 60 332.744 3.931 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG B 60 334.080 5.037 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG B 60 335.488 3.805 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG B 60 334.144 2.795 -6.203 1.00 0.00 H new ATOM 0 HE ARG B 60 334.258 2.334 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG B 60 336.644 2.254 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG B 60 337.621 1.006 -7.088 1.00 0.00 H new ATOM 0 HH21 ARG B 60 335.520 0.733 -9.903 1.00 0.00 H new ATOM 0 HH22 ARG B 60 336.988 0.149 -9.113 1.00 0.00 H new ATOM 2279 N PHE B 61 330.314 3.618 -6.348 1.00 0.00 N ATOM 2280 CA PHE B 61 329.549 2.549 -5.749 1.00 0.00 C ATOM 2281 C PHE B 61 330.429 1.312 -5.776 1.00 0.00 C ATOM 2282 O PHE B 61 331.398 1.278 -6.534 1.00 0.00 O ATOM 2283 CB PHE B 61 328.225 2.325 -6.470 1.00 0.00 C ATOM 2284 CG PHE B 61 327.426 1.194 -5.889 1.00 0.00 C ATOM 2285 CD1 PHE B 61 326.676 1.389 -4.741 1.00 0.00 C ATOM 2286 CD2 PHE B 61 327.424 -0.060 -6.482 1.00 0.00 C ATOM 2287 CE1 PHE B 61 325.938 0.357 -4.196 1.00 0.00 C ATOM 2288 CE2 PHE B 61 326.688 -1.096 -5.940 1.00 0.00 C ATOM 2289 CZ PHE B 61 325.944 -0.887 -4.796 1.00 0.00 C ATOM 0 H PHE B 61 330.434 3.523 -7.357 1.00 0.00 H new ATOM 0 HA PHE B 61 329.277 2.800 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE B 61 327.634 3.240 -6.427 1.00 0.00 H new ATOM 0 HB3 PHE B 61 328.421 2.121 -7.523 1.00 0.00 H new ATOM 0 HD1 PHE B 61 326.668 2.359 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE B 61 328.004 -0.228 -7.377 1.00 0.00 H new ATOM 0 HE1 PHE B 61 325.356 0.522 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE B 61 326.695 -2.068 -6.411 1.00 0.00 H new ATOM 0 HZ PHE B 61 325.367 -1.695 -4.371 1.00 0.00 H new ATOM 2299 N ASP B 62 330.168 0.336 -4.920 1.00 0.00 N ATOM 2300 CA ASP B 62 331.030 -0.840 -4.843 1.00 0.00 C ATOM 2301 C ASP B 62 331.543 -1.285 -6.214 1.00 0.00 C ATOM 2302 O ASP B 62 330.819 -1.856 -7.029 1.00 0.00 O ATOM 2303 CB ASP B 62 330.278 -1.980 -4.188 1.00 0.00 C ATOM 2304 CG ASP B 62 331.117 -2.725 -3.168 1.00 0.00 C ATOM 2305 OD1 ASP B 62 331.507 -2.107 -2.154 1.00 0.00 O ATOM 2306 OD2 ASP B 62 331.383 -3.926 -3.382 1.00 0.00 O ATOM 0 H ASP B 62 329.378 0.331 -4.275 1.00 0.00 H new ATOM 0 HA ASP B 62 331.899 -0.565 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP B 62 329.385 -1.588 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP B 62 329.943 -2.677 -4.956 1.00 0.00 H new ATOM 2311 N GLY B 63 332.835 -1.016 -6.415 1.00 0.00 N ATOM 2312 CA GLY B 63 333.540 -1.374 -7.637 1.00 0.00 C ATOM 2313 C GLY B 63 333.062 -0.662 -8.894 1.00 0.00 C ATOM 2314 O GLY B 63 333.601 -0.901 -9.975 1.00 0.00 O ATOM 0 H GLY B 63 333.420 -0.541 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY B 63 334.601 -1.163 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY B 63 333.446 -2.449 -7.790 1.00 0.00 H new ATOM 2318 N GLN B 64 332.053 0.192 -8.780 1.00 0.00 N ATOM 2319 CA GLN B 64 331.538 0.890 -9.955 1.00 0.00 C ATOM 2320 C GLN B 64 331.303 2.381 -9.699 1.00 0.00 C ATOM 2321 O GLN B 64 330.987 2.789 -8.586 1.00 0.00 O ATOM 2322 CB GLN B 64 330.254 0.212 -10.435 1.00 0.00 C ATOM 2323 CG GLN B 64 329.031 1.106 -10.409 1.00 0.00 C ATOM 2324 CD GLN B 64 327.869 0.464 -9.688 1.00 0.00 C ATOM 2325 OE1 GLN B 64 327.109 1.270 -8.963 1.00 0.00 O flip ATOM 2326 NE2 GLN B 64 327.655 -0.745 -9.782 1.00 0.00 N flip ATOM 0 H GLN B 64 331.581 0.417 -7.904 1.00 0.00 H new ATOM 0 HA GLN B 64 332.297 0.828 -10.735 1.00 0.00 H new ATOM 0 HB2 GLN B 64 330.405 -0.148 -11.453 1.00 0.00 H new ATOM 0 HB3 GLN B 64 330.064 -0.662 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN B 64 329.282 2.048 -9.922 1.00 0.00 H new ATOM 0 HG3 GLN B 64 328.735 1.344 -11.431 1.00 0.00 H new ATOM 0 HE21 GLN B 64 328.267 -1.328 -10.352 1.00 0.00 H new ATOM 0 HE22 GLN B 64 326.866 -1.163 -9.290 1.00 0.00 H new ATOM 2335 N PRO B 65 331.441 3.204 -10.755 1.00 0.00 N ATOM 2336 CA PRO B 65 331.243 4.642 -10.722 1.00 0.00 C ATOM 2337 C PRO B 65 329.804 4.979 -11.086 1.00 0.00 C ATOM 2338 O PRO B 65 329.267 4.430 -12.048 1.00 0.00 O ATOM 2339 CB PRO B 65 332.198 5.125 -11.836 1.00 0.00 C ATOM 2340 CG PRO B 65 332.780 3.888 -12.434 1.00 0.00 C ATOM 2341 CD PRO B 65 331.798 2.818 -12.104 1.00 0.00 C ATOM 0 HA PRO B 65 331.432 5.094 -9.748 1.00 0.00 H new ATOM 0 HB2 PRO B 65 331.662 5.707 -12.586 1.00 0.00 H new ATOM 0 HB3 PRO B 65 332.979 5.768 -11.430 1.00 0.00 H new ATOM 0 HG2 PRO B 65 332.909 3.990 -13.512 1.00 0.00 H new ATOM 0 HG3 PRO B 65 333.762 3.669 -12.015 1.00 0.00 H new ATOM 0 HD2 PRO B 65 330.941 2.818 -12.777 1.00 0.00 H new ATOM 0 HD3 PRO B 65 332.238 1.822 -12.149 1.00 0.00 H new ATOM 2349 N ILE B 66 329.164 5.852 -10.321 1.00 0.00 N ATOM 2350 CA ILE B 66 327.777 6.190 -10.605 1.00 0.00 C ATOM 2351 C ILE B 66 327.602 7.574 -11.202 1.00 0.00 C ATOM 2352 O ILE B 66 326.966 8.462 -10.643 1.00 0.00 O ATOM 2353 CB ILE B 66 326.913 6.041 -9.397 1.00 0.00 C ATOM 2354 CG1 ILE B 66 327.234 7.102 -8.358 1.00 0.00 C ATOM 2355 CG2 ILE B 66 327.066 4.642 -8.824 1.00 0.00 C ATOM 2356 CD1 ILE B 66 326.938 6.670 -6.940 1.00 0.00 C ATOM 0 H ILE B 66 329.571 6.329 -9.517 1.00 0.00 H new ATOM 0 HA ILE B 66 327.457 5.473 -11.361 1.00 0.00 H new ATOM 0 HB ILE B 66 325.873 6.184 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE B 66 328.288 7.367 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE B 66 326.662 8.002 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE B 66 326.433 4.539 -7.942 1.00 0.00 H new ATOM 0 HG22 ILE B 66 326.768 3.908 -9.572 1.00 0.00 H new ATOM 0 HG23 ILE B 66 328.106 4.475 -8.545 1.00 0.00 H new ATOM 0 HD11 ILE B 66 327.192 7.477 -6.253 1.00 0.00 H new ATOM 0 HD12 ILE B 66 325.878 6.433 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE B 66 327.530 5.788 -6.697 1.00 0.00 H new ATOM 2368 N ASN B 67 328.230 7.701 -12.330 1.00 0.00 N ATOM 2369 CA ASN B 67 328.274 8.942 -13.117 1.00 0.00 C ATOM 2370 C ASN B 67 326.936 9.683 -13.150 1.00 0.00 C ATOM 2371 O ASN B 67 326.281 9.756 -14.187 1.00 0.00 O ATOM 2372 CB ASN B 67 328.716 8.669 -14.548 1.00 0.00 C ATOM 2373 CG ASN B 67 329.682 7.505 -14.669 1.00 0.00 C ATOM 2374 OD1 ASN B 67 330.601 7.360 -13.862 1.00 0.00 O ATOM 2375 ND2 ASN B 67 329.478 6.669 -15.680 1.00 0.00 N ATOM 0 H ASN B 67 328.748 6.935 -12.760 1.00 0.00 H new ATOM 0 HA ASN B 67 329.000 9.580 -12.613 1.00 0.00 H new ATOM 0 HB2 ASN B 67 327.837 8.467 -15.160 1.00 0.00 H new ATOM 0 HB3 ASN B 67 329.186 9.565 -14.952 1.00 0.00 H new ATOM 0 HD21 ASN B 67 330.095 5.868 -15.812 1.00 0.00 H new ATOM 0 HD22 ASN B 67 328.704 6.828 -16.325 1.00 0.00 H new ATOM 2382 N GLU B 68 326.595 10.272 -12.017 1.00 0.00 N ATOM 2383 CA GLU B 68 325.381 11.092 -11.809 1.00 0.00 C ATOM 2384 C GLU B 68 324.084 10.572 -12.457 1.00 0.00 C ATOM 2385 O GLU B 68 323.001 10.811 -11.923 1.00 0.00 O ATOM 2386 CB GLU B 68 325.617 12.536 -12.257 1.00 0.00 C ATOM 2387 CG GLU B 68 327.045 12.827 -12.663 1.00 0.00 C ATOM 2388 CD GLU B 68 327.176 14.094 -13.483 1.00 0.00 C ATOM 2389 OE1 GLU B 68 326.969 15.190 -12.919 1.00 0.00 O ATOM 2390 OE2 GLU B 68 327.486 13.992 -14.688 1.00 0.00 O ATOM 0 H GLU B 68 327.168 10.199 -11.176 1.00 0.00 H new ATOM 0 HA GLU B 68 325.214 11.027 -10.734 1.00 0.00 H new ATOM 0 HB2 GLU B 68 324.959 12.758 -13.097 1.00 0.00 H new ATOM 0 HB3 GLU B 68 325.336 13.208 -11.446 1.00 0.00 H new ATOM 0 HG2 GLU B 68 327.662 12.913 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU B 68 327.433 11.986 -13.238 1.00 0.00 H new ATOM 2397 N THR B 69 324.165 9.895 -13.595 1.00 0.00 N ATOM 2398 CA THR B 69 322.969 9.402 -14.266 1.00 0.00 C ATOM 2399 C THR B 69 322.684 7.946 -13.920 1.00 0.00 C ATOM 2400 O THR B 69 321.599 7.437 -14.197 1.00 0.00 O ATOM 2401 CB THR B 69 323.111 9.564 -15.772 1.00 0.00 C ATOM 2402 OG1 THR B 69 323.978 8.581 -16.310 1.00 0.00 O ATOM 2403 CG2 THR B 69 323.647 10.923 -16.152 1.00 0.00 C ATOM 0 H THR B 69 325.040 9.676 -14.070 1.00 0.00 H new ATOM 0 HA THR B 69 322.125 9.995 -13.915 1.00 0.00 H new ATOM 0 HB THR B 69 322.108 9.449 -16.183 1.00 0.00 H new ATOM 0 HG1 THR B 69 324.052 8.705 -17.279 1.00 0.00 H new ATOM 0 HG21 THR B 69 323.731 10.991 -17.237 1.00 0.00 H new ATOM 0 HG22 THR B 69 322.968 11.696 -15.791 1.00 0.00 H new ATOM 0 HG23 THR B 69 324.630 11.065 -15.703 1.00 0.00 H new ATOM 2411 N ASP B 70 323.650 7.282 -13.297 1.00 0.00 N ATOM 2412 CA ASP B 70 323.480 5.905 -12.903 1.00 0.00 C ATOM 2413 C ASP B 70 322.464 5.816 -11.783 1.00 0.00 C ATOM 2414 O ASP B 70 322.672 6.380 -10.720 1.00 0.00 O ATOM 2415 CB ASP B 70 324.815 5.334 -12.424 1.00 0.00 C ATOM 2416 CG ASP B 70 325.970 5.691 -13.341 1.00 0.00 C ATOM 2417 OD1 ASP B 70 326.159 6.895 -13.617 1.00 0.00 O ATOM 2418 OD2 ASP B 70 326.684 4.767 -13.782 1.00 0.00 O ATOM 0 H ASP B 70 324.557 7.683 -13.057 1.00 0.00 H new ATOM 0 HA ASP B 70 323.128 5.331 -13.760 1.00 0.00 H new ATOM 0 HB2 ASP B 70 325.025 5.706 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP B 70 324.736 4.249 -12.352 1.00 0.00 H new ATOM 2423 N THR B 71 321.379 5.095 -12.005 1.00 0.00 N ATOM 2424 CA THR B 71 320.378 4.932 -10.964 1.00 0.00 C ATOM 2425 C THR B 71 320.742 3.695 -10.165 1.00 0.00 C ATOM 2426 O THR B 71 321.226 2.718 -10.734 1.00 0.00 O ATOM 2427 CB THR B 71 318.969 4.820 -11.546 1.00 0.00 C ATOM 2428 OG1 THR B 71 318.625 3.466 -11.794 1.00 0.00 O ATOM 2429 CG2 THR B 71 318.779 5.595 -12.839 1.00 0.00 C ATOM 0 H THR B 71 321.170 4.619 -12.883 1.00 0.00 H new ATOM 0 HA THR B 71 320.370 5.811 -10.319 1.00 0.00 H new ATOM 0 HB THR B 71 318.318 5.256 -10.788 1.00 0.00 H new ATOM 0 HG1 THR B 71 318.186 3.090 -11.003 1.00 0.00 H new ATOM 0 HG21 THR B 71 317.756 5.468 -13.192 1.00 0.00 H new ATOM 0 HG22 THR B 71 318.973 6.653 -12.661 1.00 0.00 H new ATOM 0 HG23 THR B 71 319.472 5.221 -13.593 1.00 0.00 H new ATOM 2437 N PRO B 72 320.569 3.713 -8.835 1.00 0.00 N ATOM 2438 CA PRO B 72 320.951 2.578 -8.013 1.00 0.00 C ATOM 2439 C PRO B 72 320.532 1.248 -8.645 1.00 0.00 C ATOM 2440 O PRO B 72 321.378 0.389 -8.884 1.00 0.00 O ATOM 2441 CB PRO B 72 320.290 2.836 -6.659 1.00 0.00 C ATOM 2442 CG PRO B 72 319.765 4.242 -6.690 1.00 0.00 C ATOM 2443 CD PRO B 72 320.046 4.834 -8.046 1.00 0.00 C ATOM 0 HA PRO B 72 322.032 2.487 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO B 72 319.482 2.126 -6.482 1.00 0.00 H new ATOM 0 HB3 PRO B 72 321.008 2.710 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO B 72 318.694 4.250 -6.489 1.00 0.00 H new ATOM 0 HG3 PRO B 72 320.239 4.839 -5.911 1.00 0.00 H new ATOM 0 HD2 PRO B 72 319.142 5.247 -8.494 1.00 0.00 H new ATOM 0 HD3 PRO B 72 320.770 5.646 -7.982 1.00 0.00 H new ATOM 2451 N ALA B 73 319.239 1.083 -8.940 1.00 0.00 N ATOM 2452 CA ALA B 73 318.760 -0.151 -9.580 1.00 0.00 C ATOM 2453 C ALA B 73 319.688 -0.549 -10.710 1.00 0.00 C ATOM 2454 O ALA B 73 320.194 -1.670 -10.760 1.00 0.00 O ATOM 2455 CB ALA B 73 317.360 0.028 -10.147 1.00 0.00 C ATOM 0 H ALA B 73 318.514 1.775 -8.751 1.00 0.00 H new ATOM 0 HA ALA B 73 318.740 -0.928 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA B 73 317.035 -0.902 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA B 73 316.673 0.291 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA B 73 317.368 0.824 -10.892 1.00 0.00 H new ATOM 2461 N GLN B 74 319.909 0.396 -11.616 1.00 0.00 N ATOM 2462 CA GLN B 74 320.774 0.179 -12.750 1.00 0.00 C ATOM 2463 C GLN B 74 322.094 -0.417 -12.296 1.00 0.00 C ATOM 2464 O GLN B 74 322.726 -1.189 -13.018 1.00 0.00 O ATOM 2465 CB GLN B 74 320.995 1.492 -13.466 1.00 0.00 C ATOM 2466 CG GLN B 74 320.274 1.591 -14.794 1.00 0.00 C ATOM 2467 CD GLN B 74 320.270 3.000 -15.352 1.00 0.00 C ATOM 2468 OE1 GLN B 74 321.313 3.536 -15.725 1.00 0.00 O ATOM 2469 NE2 GLN B 74 319.091 3.608 -15.411 1.00 0.00 N ATOM 0 H GLN B 74 319.492 1.326 -11.579 1.00 0.00 H new ATOM 0 HA GLN B 74 320.306 -0.525 -13.438 1.00 0.00 H new ATOM 0 HB2 GLN B 74 320.665 2.307 -12.822 1.00 0.00 H new ATOM 0 HB3 GLN B 74 322.063 1.630 -13.632 1.00 0.00 H new ATOM 0 HG2 GLN B 74 320.748 0.922 -15.511 1.00 0.00 H new ATOM 0 HG3 GLN B 74 319.246 1.250 -14.671 1.00 0.00 H new ATOM 0 HE21 GLN B 74 318.252 3.125 -15.090 1.00 0.00 H new ATOM 0 HE22 GLN B 74 319.025 4.558 -15.777 1.00 0.00 H new ATOM 2478 N LEU B 75 322.507 -0.046 -11.088 1.00 0.00 N ATOM 2479 CA LEU B 75 323.748 -0.520 -10.511 1.00 0.00 C ATOM 2480 C LEU B 75 323.454 -1.372 -9.281 1.00 0.00 C ATOM 2481 O LEU B 75 324.211 -1.371 -8.309 1.00 0.00 O ATOM 2482 CB LEU B 75 324.619 0.669 -10.117 1.00 0.00 C ATOM 2483 CG LEU B 75 324.360 1.967 -10.890 1.00 0.00 C ATOM 2484 CD1 LEU B 75 325.229 3.075 -10.346 1.00 0.00 C ATOM 2485 CD2 LEU B 75 324.608 1.768 -12.375 1.00 0.00 C ATOM 0 H LEU B 75 321.986 0.592 -10.486 1.00 0.00 H new ATOM 0 HA LEU B 75 324.277 -1.125 -11.247 1.00 0.00 H new ATOM 0 HB2 LEU B 75 324.475 0.865 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU B 75 325.664 0.390 -10.251 1.00 0.00 H new ATOM 0 HG LEU B 75 323.315 2.248 -10.760 1.00 0.00 H new ATOM 0 HD11 LEU B 75 325.038 3.993 -10.901 1.00 0.00 H new ATOM 0 HD12 LEU B 75 324.999 3.234 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU B 75 326.278 2.799 -10.451 1.00 0.00 H new ATOM 0 HD21 LEU B 75 324.418 2.702 -12.904 1.00 0.00 H new ATOM 0 HD22 LEU B 75 325.643 1.465 -12.534 1.00 0.00 H new ATOM 0 HD23 LEU B 75 323.941 0.994 -12.755 1.00 0.00 H new ATOM 2497 N GLU B 76 322.352 -2.106 -9.353 1.00 0.00 N ATOM 2498 CA GLU B 76 321.895 -3.002 -8.292 1.00 0.00 C ATOM 2499 C GLU B 76 322.309 -2.599 -6.871 1.00 0.00 C ATOM 2500 O GLU B 76 322.818 -3.423 -6.112 1.00 0.00 O ATOM 2501 CB GLU B 76 322.359 -4.424 -8.594 1.00 0.00 C ATOM 2502 CG GLU B 76 321.917 -4.911 -9.963 1.00 0.00 C ATOM 2503 CD GLU B 76 321.877 -6.423 -10.064 1.00 0.00 C ATOM 2504 OE1 GLU B 76 321.041 -7.043 -9.374 1.00 0.00 O ATOM 2505 OE2 GLU B 76 322.682 -6.988 -10.834 1.00 0.00 O ATOM 0 H GLU B 76 321.736 -2.097 -10.166 1.00 0.00 H new ATOM 0 HA GLU B 76 320.807 -2.933 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU B 76 323.446 -4.467 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU B 76 321.969 -5.098 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU B 76 320.928 -4.510 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU B 76 322.596 -4.519 -10.720 1.00 0.00 H new ATOM 2512 N MET B 77 322.044 -1.352 -6.496 1.00 0.00 N ATOM 2513 CA MET B 77 322.345 -0.885 -5.143 1.00 0.00 C ATOM 2514 C MET B 77 321.433 -1.602 -4.162 1.00 0.00 C ATOM 2515 O MET B 77 320.634 -2.445 -4.568 1.00 0.00 O ATOM 2516 CB MET B 77 322.159 0.628 -5.069 1.00 0.00 C ATOM 2517 CG MET B 77 323.290 1.358 -5.768 1.00 0.00 C ATOM 2518 SD MET B 77 323.854 2.824 -4.897 1.00 0.00 S ATOM 2519 CE MET B 77 324.595 3.711 -6.260 1.00 0.00 C ATOM 0 H MET B 77 321.624 -0.649 -7.104 1.00 0.00 H new ATOM 0 HA MET B 77 323.380 -1.108 -4.885 1.00 0.00 H new ATOM 0 HB2 MET B 77 321.209 0.902 -5.527 1.00 0.00 H new ATOM 0 HB3 MET B 77 322.112 0.940 -4.026 1.00 0.00 H new ATOM 0 HG2 MET B 77 324.130 0.674 -5.891 1.00 0.00 H new ATOM 0 HG3 MET B 77 322.962 1.644 -6.768 1.00 0.00 H new ATOM 0 HE1 MET B 77 324.549 4.782 -6.065 1.00 0.00 H new ATOM 0 HE2 MET B 77 325.636 3.406 -6.370 1.00 0.00 H new ATOM 0 HE3 MET B 77 324.052 3.486 -7.178 1.00 0.00 H new ATOM 2529 N GLU B 78 321.540 -1.287 -2.880 1.00 0.00 N ATOM 2530 CA GLU B 78 320.705 -1.937 -1.882 1.00 0.00 C ATOM 2531 C GLU B 78 320.469 -1.016 -0.695 1.00 0.00 C ATOM 2532 O GLU B 78 321.025 0.079 -0.625 1.00 0.00 O ATOM 2533 CB GLU B 78 321.357 -3.236 -1.402 1.00 0.00 C ATOM 2534 CG GLU B 78 320.995 -4.450 -2.242 1.00 0.00 C ATOM 2535 CD GLU B 78 322.204 -5.292 -2.605 1.00 0.00 C ATOM 2536 OE1 GLU B 78 323.091 -4.779 -3.318 1.00 0.00 O ATOM 2537 OE2 GLU B 78 322.261 -6.464 -2.177 1.00 0.00 O ATOM 0 H GLU B 78 322.189 -0.593 -2.509 1.00 0.00 H new ATOM 0 HA GLU B 78 319.746 -2.168 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU B 78 322.440 -3.112 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU B 78 321.062 -3.420 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU B 78 320.280 -5.065 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU B 78 320.499 -4.120 -3.155 1.00 0.00 H new ATOM 2544 N ASP B 79 319.648 -1.471 0.241 1.00 0.00 N ATOM 2545 CA ASP B 79 319.349 -0.689 1.430 1.00 0.00 C ATOM 2546 C ASP B 79 320.615 -0.467 2.251 1.00 0.00 C ATOM 2547 O ASP B 79 321.388 -1.395 2.485 1.00 0.00 O ATOM 2548 CB ASP B 79 318.283 -1.382 2.269 1.00 0.00 C ATOM 2549 CG ASP B 79 317.325 -0.400 2.915 1.00 0.00 C ATOM 2550 OD1 ASP B 79 317.717 0.244 3.911 1.00 0.00 O ATOM 2551 OD2 ASP B 79 316.182 -0.277 2.427 1.00 0.00 O ATOM 0 H ASP B 79 319.179 -2.376 0.199 1.00 0.00 H new ATOM 0 HA ASP B 79 318.964 0.282 1.119 1.00 0.00 H new ATOM 0 HB2 ASP B 79 317.721 -2.072 1.640 1.00 0.00 H new ATOM 0 HB3 ASP B 79 318.765 -1.978 3.044 1.00 0.00 H new ATOM 2556 N GLU B 80 320.818 0.773 2.681 1.00 0.00 N ATOM 2557 CA GLU B 80 321.986 1.143 3.476 1.00 0.00 C ATOM 2558 C GLU B 80 323.274 1.098 2.657 1.00 0.00 C ATOM 2559 O GLU B 80 324.343 1.376 3.184 1.00 0.00 O ATOM 2560 CB GLU B 80 322.114 0.250 4.707 1.00 0.00 C ATOM 2561 CG GLU B 80 320.779 -0.061 5.363 1.00 0.00 C ATOM 2562 CD GLU B 80 320.925 -0.900 6.617 1.00 0.00 C ATOM 2563 OE1 GLU B 80 321.391 -0.360 7.642 1.00 0.00 O ATOM 2564 OE2 GLU B 80 320.574 -2.098 6.574 1.00 0.00 O ATOM 0 H GLU B 80 320.182 1.547 2.490 1.00 0.00 H new ATOM 0 HA GLU B 80 321.835 2.172 3.801 1.00 0.00 H new ATOM 0 HB2 GLU B 80 322.597 -0.684 4.421 1.00 0.00 H new ATOM 0 HB3 GLU B 80 322.764 0.736 5.434 1.00 0.00 H new ATOM 0 HG2 GLU B 80 320.275 0.873 5.612 1.00 0.00 H new ATOM 0 HG3 GLU B 80 320.143 -0.587 4.651 1.00 0.00 H new ATOM 2571 N ASP B 81 323.192 0.759 1.367 1.00 0.00 N ATOM 2572 CA ASP B 81 324.387 0.721 0.543 1.00 0.00 C ATOM 2573 C ASP B 81 325.118 2.036 0.679 1.00 0.00 C ATOM 2574 O ASP B 81 324.572 3.009 1.187 1.00 0.00 O ATOM 2575 CB ASP B 81 324.051 0.453 -0.925 1.00 0.00 C ATOM 2576 CG ASP B 81 324.123 -1.021 -1.271 1.00 0.00 C ATOM 2577 OD1 ASP B 81 324.063 -1.853 -0.342 1.00 0.00 O ATOM 2578 OD2 ASP B 81 324.242 -1.343 -2.472 1.00 0.00 O ATOM 0 H ASP B 81 322.327 0.513 0.886 1.00 0.00 H new ATOM 0 HA ASP B 81 325.021 -0.097 0.886 1.00 0.00 H new ATOM 0 HB2 ASP B 81 323.050 0.826 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP B 81 324.741 1.007 -1.561 1.00 0.00 H new ATOM 2583 N THR B 82 326.344 2.053 0.237 1.00 0.00 N ATOM 2584 CA THR B 82 327.161 3.259 0.327 1.00 0.00 C ATOM 2585 C THR B 82 327.644 3.715 -1.038 1.00 0.00 C ATOM 2586 O THR B 82 327.709 2.935 -1.988 1.00 0.00 O ATOM 2587 CB THR B 82 328.368 3.053 1.239 1.00 0.00 C ATOM 2588 OG1 THR B 82 328.017 2.290 2.380 1.00 0.00 O ATOM 2589 CG2 THR B 82 328.960 4.365 1.721 1.00 0.00 C ATOM 0 H THR B 82 326.811 1.253 -0.191 1.00 0.00 H new ATOM 0 HA THR B 82 326.520 4.031 0.752 1.00 0.00 H new ATOM 0 HB THR B 82 329.109 2.526 0.638 1.00 0.00 H new ATOM 0 HG1 THR B 82 328.806 2.170 2.948 1.00 0.00 H new ATOM 0 HG21 THR B 82 329.815 4.163 2.366 1.00 0.00 H new ATOM 0 HG22 THR B 82 329.283 4.955 0.863 1.00 0.00 H new ATOM 0 HG23 THR B 82 328.207 4.920 2.280 1.00 0.00 H new ATOM 2597 N ILE B 83 327.994 4.989 -1.113 1.00 0.00 N ATOM 2598 CA ILE B 83 328.489 5.592 -2.331 1.00 0.00 C ATOM 2599 C ILE B 83 329.636 6.529 -1.978 1.00 0.00 C ATOM 2600 O ILE B 83 329.413 7.619 -1.454 1.00 0.00 O ATOM 2601 CB ILE B 83 327.366 6.398 -3.005 1.00 0.00 C ATOM 2602 CG1 ILE B 83 326.292 5.457 -3.545 1.00 0.00 C ATOM 2603 CG2 ILE B 83 327.912 7.294 -4.115 1.00 0.00 C ATOM 2604 CD1 ILE B 83 324.904 6.032 -3.451 1.00 0.00 C ATOM 0 H ILE B 83 327.941 5.634 -0.324 1.00 0.00 H new ATOM 0 HA ILE B 83 328.832 4.815 -3.014 1.00 0.00 H new ATOM 0 HB ILE B 83 326.916 7.046 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE B 83 326.512 5.223 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE B 83 326.328 4.518 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE B 83 327.092 7.850 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE B 83 328.635 7.993 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE B 83 328.399 6.679 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE B 83 324.186 5.316 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE B 83 324.666 6.241 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE B 83 324.853 6.956 -4.027 1.00 0.00 H new ATOM 2616 N ASP B 84 330.861 6.085 -2.198 1.00 0.00 N ATOM 2617 CA ASP B 84 332.024 6.873 -1.825 1.00 0.00 C ATOM 2618 C ASP B 84 332.201 8.152 -2.650 1.00 0.00 C ATOM 2619 O ASP B 84 332.141 8.145 -3.877 1.00 0.00 O ATOM 2620 CB ASP B 84 333.278 6.014 -1.918 1.00 0.00 C ATOM 2621 CG ASP B 84 333.956 5.827 -0.574 1.00 0.00 C ATOM 2622 OD1 ASP B 84 334.726 6.723 -0.168 1.00 0.00 O ATOM 2623 OD2 ASP B 84 333.718 4.785 0.072 1.00 0.00 O ATOM 0 H ASP B 84 331.076 5.187 -2.631 1.00 0.00 H new ATOM 0 HA ASP B 84 331.857 7.199 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP B 84 333.016 5.039 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP B 84 333.979 6.475 -2.614 1.00 0.00 H new ATOM 2628 N VAL B 85 332.474 9.230 -1.918 1.00 0.00 N ATOM 2629 CA VAL B 85 332.735 10.557 -2.474 1.00 0.00 C ATOM 2630 C VAL B 85 334.194 10.897 -2.211 1.00 0.00 C ATOM 2631 O VAL B 85 334.635 10.897 -1.062 1.00 0.00 O ATOM 2632 CB VAL B 85 331.841 11.648 -1.829 1.00 0.00 C ATOM 2633 CG1 VAL B 85 332.261 13.058 -2.249 1.00 0.00 C ATOM 2634 CG2 VAL B 85 330.387 11.421 -2.155 1.00 0.00 C ATOM 0 H VAL B 85 332.521 9.205 -0.899 1.00 0.00 H new ATOM 0 HA VAL B 85 332.510 10.536 -3.540 1.00 0.00 H new ATOM 0 HB VAL B 85 331.976 11.568 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL B 85 331.607 13.789 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL B 85 333.291 13.238 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL B 85 332.184 13.153 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL B 85 329.784 12.201 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL B 85 330.248 11.450 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL B 85 330.077 10.447 -1.776 1.00 0.00 H new ATOM 2644 N PHE B 86 334.937 11.216 -3.257 1.00 0.00 N ATOM 2645 CA PHE B 86 336.333 11.589 -3.096 1.00 0.00 C ATOM 2646 C PHE B 86 336.605 12.807 -3.947 1.00 0.00 C ATOM 2647 O PHE B 86 336.690 12.722 -5.163 1.00 0.00 O ATOM 2648 CB PHE B 86 337.255 10.443 -3.507 1.00 0.00 C ATOM 2649 CG PHE B 86 337.302 9.319 -2.512 1.00 0.00 C ATOM 2650 CD1 PHE B 86 337.813 9.523 -1.240 1.00 0.00 C ATOM 2651 CD2 PHE B 86 336.839 8.058 -2.850 1.00 0.00 C ATOM 2652 CE1 PHE B 86 337.861 8.489 -0.324 1.00 0.00 C ATOM 2653 CE2 PHE B 86 336.884 7.021 -1.938 1.00 0.00 C ATOM 2654 CZ PHE B 86 337.395 7.237 -0.674 1.00 0.00 C ATOM 0 H PHE B 86 334.601 11.225 -4.220 1.00 0.00 H new ATOM 0 HA PHE B 86 336.529 11.812 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE B 86 336.926 10.051 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE B 86 338.263 10.833 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE B 86 338.178 10.501 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE B 86 336.438 7.883 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE B 86 338.262 8.660 0.664 1.00 0.00 H new ATOM 0 HE2 PHE B 86 336.520 6.042 -2.214 1.00 0.00 H new ATOM 0 HZ PHE B 86 337.430 6.428 0.040 1.00 0.00 H new ATOM 2664 N GLN B 87 336.739 13.933 -3.286 1.00 0.00 N ATOM 2665 CA GLN B 87 336.986 15.183 -3.976 1.00 0.00 C ATOM 2666 C GLN B 87 337.880 16.107 -3.157 1.00 0.00 C ATOM 2667 O GLN B 87 337.527 16.506 -2.048 1.00 0.00 O ATOM 2668 CB GLN B 87 335.643 15.832 -4.324 1.00 0.00 C ATOM 2669 CG GLN B 87 335.660 16.623 -5.620 1.00 0.00 C ATOM 2670 CD GLN B 87 335.312 18.092 -5.418 1.00 0.00 C ATOM 2671 OE1 GLN B 87 334.033 18.391 -5.134 1.00 0.00 O flip ATOM 2672 NE2 GLN B 87 336.182 18.957 -5.513 1.00 0.00 N flip ATOM 0 H GLN B 87 336.682 14.012 -2.271 1.00 0.00 H new ATOM 0 HA GLN B 87 337.528 14.986 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN B 87 334.882 15.055 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN B 87 335.348 16.494 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN B 87 336.648 16.547 -6.074 1.00 0.00 H new ATOM 0 HG3 GLN B 87 334.953 16.179 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN B 87 337.143 18.692 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN B 87 335.942 19.939 -5.375 1.00 0.00 H new ATOM 2681 N GLN B 88 339.041 16.439 -3.711 1.00 0.00 N ATOM 2682 CA GLN B 88 339.991 17.311 -3.032 1.00 0.00 C ATOM 2683 C GLN B 88 339.601 18.775 -3.189 1.00 0.00 C ATOM 2684 O GLN B 88 339.859 19.390 -4.224 1.00 0.00 O ATOM 2685 CB GLN B 88 341.400 17.087 -3.579 1.00 0.00 C ATOM 2686 CG GLN B 88 342.017 15.766 -3.149 1.00 0.00 C ATOM 2687 CD GLN B 88 342.664 15.842 -1.780 1.00 0.00 C ATOM 2688 OE1 GLN B 88 343.873 16.043 -1.662 1.00 0.00 O ATOM 2689 NE2 GLN B 88 341.860 15.680 -0.735 1.00 0.00 N ATOM 0 H GLN B 88 339.347 16.117 -4.629 1.00 0.00 H new ATOM 0 HA GLN B 88 339.975 17.063 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN B 88 341.368 17.126 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN B 88 342.043 17.903 -3.249 1.00 0.00 H new ATOM 0 HG2 GLN B 88 341.246 14.995 -3.140 1.00 0.00 H new ATOM 0 HG3 GLN B 88 342.763 15.462 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN B 88 340.864 15.516 -0.879 1.00 0.00 H new ATOM 0 HE22 GLN B 88 342.239 15.720 0.211 1.00 0.00 H new