USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=40 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= -2.34! USER MOD Set 2.1: B 71 THR OG1 : rot 180:sc= -0.0825 USER MOD Set 2.2: B 74 GLN :FLIP amide:sc= -4.33! F(o=-6.4,f=-4.4!) USER MOD Set 3.1: B 53 SER OG : rot -149:sc= -1.09! USER MOD Set 3.2: B 56 GLN :FLIP amide:sc= 0.597 F(o=-4.2,f=-0.49) USER MOD Set 4.1: B 46 TYR OH : rot 30:sc= 0.0642 USER MOD Set 4.2: B 50 GLN :FLIP amide:sc= -8.76! C(o=-14!,f=-8.7!) USER MOD Set 5.1: B 34 LYS NZ :NH3+ -155:sc= -1.25 (180deg=-1.67) USER MOD Set 5.2: B 37 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: B 18 ASN :FLIP amide:sc= -4.52! C(o=-5.7!,f=-4.8!) USER MOD Set 6.2: B 30 GLN :FLIP amide:sc= -0.274 X(o=-5.1,f=-4.8) USER MOD Set 7.1: A 46 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Set 7.2: A 77 GLN : amide:sc=0.000918 K(o=-1.3,f=-5!) USER MOD Set 8.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 20 GLN : amide:sc= -5.56! C(o=-5.6!,f=-5.8!) USER MOD Set 9.1: A 4 ASN : amide:sc= -3.04! K(o=-4.1!,f=-4.8) USER MOD Set 9.2: A 26 HIS :FLIP no HD1:sc= -1.02 F(o=-6.8,f=-4.1) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -4.14! C(o=-5!,f=-4.1!) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.06! C(o=-3!,f=-2.1!) USER MOD Single : A 17 SER OG : rot 27:sc= 0.145 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 0.234 (180deg=0.15) USER MOD Single : A 27 THR OG1 : rot -109:sc= -3.83! USER MOD Single : A 30 SER OG : rot -101:sc= -0.42 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -167:sc= -3.45! (180deg=-3.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 CYS SG : rot -77:sc= -3.96! USER MOD Single : A 43 SER OG : rot -39:sc= 0.0288 USER MOD Single : A 44 MET CE :methyl -107:sc= -9.23! (180deg=-13.3!) USER MOD Single : A 54 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.42) USER MOD Single : A 57 ASN : amide:sc= -4.55 K(o=-4.6,f=-6.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 102:sc= -0.944 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 149:sc= -7.9! (180deg=-12.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.671 F(o=-1.3,f=-0.67) USER MOD Single : B 14 ASN :FLIP amide:sc=-0.00951 F(o=-0.61,f=-0.0095) USER MOD Single : B 16 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.31) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 180:sc= 0.0612 USER MOD Single : B 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00514) USER MOD Single : B 36 HIS :FLIP no HE2:sc= -1.18 F(o=-3.2!,f=-1.2) USER MOD Single : B 40 SER OG : rot 180:sc= -0.625 USER MOD Single : B 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0877) USER MOD Single : B 43 MET CE :methyl 157:sc= -11.5! (180deg=-12.8!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 CYS SG : rot 55:sc= -14.5! USER MOD Single : B 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN :FLIP amide:sc= -1.96 F(o=-4.2!,f=-2) USER MOD Single : B 67 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.67) USER MOD Single : B 69 THR OG1 : rot -69:sc= 0.456 USER MOD Single : B 77 MET CE :methyl -137:sc= -7.55! (180deg=-9.33!) USER MOD Single : B 87 GLN :FLIP amide:sc= -1.63 F(o=-6.7!,f=-1.6) USER MOD Single : B 88 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 4 294.398 -14.655 -11.314 1.00 0.00 N ATOM 40 CA ASN A 4 294.089 -13.270 -10.969 1.00 0.00 C ATOM 41 C ASN A 4 292.760 -13.147 -10.223 1.00 0.00 C ATOM 42 O ASN A 4 292.247 -12.042 -10.061 1.00 0.00 O ATOM 43 CB ASN A 4 294.044 -12.402 -12.227 1.00 0.00 C ATOM 44 CG ASN A 4 295.236 -11.469 -12.340 1.00 0.00 C ATOM 45 OD1 ASN A 4 296.310 -11.867 -12.792 1.00 0.00 O ATOM 46 ND2 ASN A 4 295.050 -10.218 -11.927 1.00 0.00 N ATOM 0 HA ASN A 4 294.884 -12.923 -10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 4 294.007 -13.046 -13.106 1.00 0.00 H new ATOM 0 HB3 ASN A 4 293.127 -11.813 -12.224 1.00 0.00 H new ATOM 0 HD21 ASN A 4 295.815 -9.545 -11.978 1.00 0.00 H new ATOM 0 HD22 ASN A 4 294.143 -9.932 -11.559 1.00 0.00 H new ATOM 53 N ASP A 5 292.213 -14.266 -9.752 1.00 0.00 N ATOM 54 CA ASP A 5 290.959 -14.240 -9.008 1.00 0.00 C ATOM 55 C ASP A 5 291.251 -13.973 -7.542 1.00 0.00 C ATOM 56 O ASP A 5 292.369 -13.591 -7.196 1.00 0.00 O ATOM 57 CB ASP A 5 290.207 -15.564 -9.172 1.00 0.00 C ATOM 58 CG ASP A 5 288.869 -15.386 -9.862 1.00 0.00 C ATOM 59 OD1 ASP A 5 288.838 -15.400 -11.110 1.00 0.00 O ATOM 60 OD2 ASP A 5 287.851 -15.232 -9.154 1.00 0.00 O ATOM 0 H ASP A 5 292.616 -15.195 -9.872 1.00 0.00 H new ATOM 0 HA ASP A 5 290.327 -13.444 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 5 290.820 -16.258 -9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 5 290.050 -16.014 -8.192 1.00 0.00 H new ATOM 65 N HIS A 6 290.268 -14.179 -6.673 1.00 0.00 N ATOM 66 CA HIS A 6 290.487 -13.950 -5.264 1.00 0.00 C ATOM 67 C HIS A 6 291.155 -15.137 -4.604 1.00 0.00 C ATOM 68 O HIS A 6 291.218 -16.236 -5.153 1.00 0.00 O ATOM 69 CB HIS A 6 289.197 -13.702 -4.499 1.00 0.00 C ATOM 70 CG HIS A 6 288.558 -12.368 -4.688 1.00 0.00 C ATOM 71 ND1 HIS A 6 288.353 -11.377 -3.794 1.00 0.00 N flip ATOM 72 CD2 HIS A 6 288.000 -11.941 -5.874 1.00 0.00 C flip ATOM 73 CE1 HIS A 6 287.679 -10.374 -4.445 1.00 0.00 C flip ATOM 74 NE2 HIS A 6 287.477 -10.738 -5.700 1.00 0.00 N flip ATOM 0 H HIS A 6 289.331 -14.498 -6.920 1.00 0.00 H new ATOM 0 HA HIS A 6 291.122 -13.065 -5.223 1.00 0.00 H new ATOM 0 HB2 HIS A 6 288.477 -14.469 -4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 6 289.399 -13.836 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 6 287.991 -12.500 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 6 287.365 -9.440 -4.004 1.00 0.00 H new ATOM 0 HE2 HIS A 6 287.000 -10.186 -6.412 1.00 0.00 H new ATOM 83 N ILE A 7 291.592 -14.894 -3.383 1.00 0.00 N ATOM 84 CA ILE A 7 292.206 -15.897 -2.537 1.00 0.00 C ATOM 85 C ILE A 7 292.156 -15.374 -1.121 1.00 0.00 C ATOM 86 O ILE A 7 292.302 -14.176 -0.899 1.00 0.00 O ATOM 87 CB ILE A 7 293.668 -16.243 -2.924 1.00 0.00 C ATOM 88 CG1 ILE A 7 294.659 -15.379 -2.143 1.00 0.00 C ATOM 89 CG2 ILE A 7 293.890 -16.085 -4.414 1.00 0.00 C ATOM 90 CD1 ILE A 7 296.101 -15.624 -2.513 1.00 0.00 C ATOM 0 H ILE A 7 291.528 -13.976 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 7 291.652 -16.828 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 7 293.841 -17.287 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 7 294.423 -14.328 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 7 294.530 -15.567 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 7 294.923 -16.334 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 7 293.219 -16.753 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 7 293.688 -15.054 -4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 7 296.744 -14.976 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 7 296.355 -16.666 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 7 296.247 -15.408 -3.571 1.00 0.00 H new ATOM 102 N ASN A 8 291.899 -16.253 -0.182 1.00 0.00 N ATOM 103 CA ASN A 8 291.758 -15.831 1.206 1.00 0.00 C ATOM 104 C ASN A 8 293.120 -15.697 1.893 1.00 0.00 C ATOM 105 O ASN A 8 294.008 -16.525 1.695 1.00 0.00 O ATOM 106 CB ASN A 8 290.887 -16.831 1.973 1.00 0.00 C ATOM 107 CG ASN A 8 289.669 -16.180 2.600 1.00 0.00 C ATOM 108 OD1 ASN A 8 289.893 -15.116 3.363 1.00 0.00 O flip ATOM 109 ND2 ASN A 8 288.541 -16.629 2.402 1.00 0.00 N flip ATOM 0 H ASN A 8 291.783 -17.254 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 8 291.280 -14.852 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 8 290.564 -17.621 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 8 291.484 -17.304 2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 8 288.415 -17.449 1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 8 287.731 -16.181 2.831 1.00 0.00 H new ATOM 116 N LEU A 9 293.275 -14.654 2.715 1.00 0.00 N ATOM 117 CA LEU A 9 294.510 -14.420 3.441 1.00 0.00 C ATOM 118 C LEU A 9 294.230 -14.284 4.913 1.00 0.00 C ATOM 119 O LEU A 9 293.411 -13.464 5.323 1.00 0.00 O ATOM 120 CB LEU A 9 295.191 -13.139 2.976 1.00 0.00 C ATOM 121 CG LEU A 9 296.296 -13.307 1.923 1.00 0.00 C ATOM 122 CD1 LEU A 9 296.431 -14.759 1.466 1.00 0.00 C ATOM 123 CD2 LEU A 9 296.001 -12.415 0.740 1.00 0.00 C ATOM 0 H LEU A 9 292.550 -13.958 2.889 1.00 0.00 H new ATOM 0 HA LEU A 9 295.163 -15.272 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 9 294.429 -12.473 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 9 295.619 -12.642 3.847 1.00 0.00 H new ATOM 0 HG LEU A 9 297.244 -13.020 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 9 297.223 -14.834 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 9 296.676 -15.388 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 9 295.490 -15.092 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 9 296.784 -12.533 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 9 295.040 -12.692 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 9 295.966 -11.376 1.068 1.00 0.00 H new ATOM 135 N LYS A 10 294.924 -15.059 5.709 1.00 0.00 N ATOM 136 CA LYS A 10 294.736 -14.976 7.138 1.00 0.00 C ATOM 137 C LYS A 10 295.688 -13.960 7.718 1.00 0.00 C ATOM 138 O LYS A 10 296.872 -14.234 7.825 1.00 0.00 O ATOM 139 CB LYS A 10 295.056 -16.323 7.760 1.00 0.00 C ATOM 140 CG LYS A 10 293.887 -17.281 7.802 1.00 0.00 C ATOM 141 CD LYS A 10 294.374 -18.715 7.761 1.00 0.00 C ATOM 142 CE LYS A 10 295.024 -19.121 9.074 1.00 0.00 C ATOM 143 NZ LYS A 10 294.066 -19.811 9.982 1.00 0.00 N ATOM 0 H LYS A 10 295.614 -15.744 5.400 1.00 0.00 H new ATOM 0 HA LYS A 10 293.705 -14.688 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 10 295.869 -16.785 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 10 295.418 -16.164 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 10 293.305 -17.114 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 10 293.224 -17.092 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 10 293.536 -19.379 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 10 295.090 -18.834 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 10 295.869 -19.779 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 10 295.421 -18.236 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 294.550 -20.070 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 293.272 -19.175 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 293.706 -20.670 9.519 1.00 0.00 H new ATOM 157 N VAL A 11 295.193 -12.817 8.151 1.00 0.00 N ATOM 158 CA VAL A 11 296.072 -11.845 8.752 1.00 0.00 C ATOM 159 C VAL A 11 296.102 -12.120 10.248 1.00 0.00 C ATOM 160 O VAL A 11 295.073 -12.093 10.901 1.00 0.00 O ATOM 161 CB VAL A 11 295.680 -10.386 8.416 1.00 0.00 C ATOM 162 CG1 VAL A 11 294.196 -10.132 8.590 1.00 0.00 C ATOM 163 CG2 VAL A 11 296.496 -9.412 9.228 1.00 0.00 C ATOM 0 H VAL A 11 294.211 -12.546 8.099 1.00 0.00 H new ATOM 0 HA VAL A 11 297.074 -11.949 8.337 1.00 0.00 H new ATOM 0 HB VAL A 11 295.904 -10.229 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 11 293.973 -9.094 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 11 293.634 -10.792 7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 11 293.912 -10.327 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 11 296.203 -8.393 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 11 296.321 -9.587 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 11 297.554 -9.551 9.007 1.00 0.00 H new ATOM 173 N ALA A 12 297.291 -12.408 10.767 1.00 0.00 N ATOM 174 CA ALA A 12 297.455 -12.731 12.184 1.00 0.00 C ATOM 175 C ALA A 12 298.088 -11.595 12.950 1.00 0.00 C ATOM 176 O ALA A 12 299.037 -10.981 12.492 1.00 0.00 O ATOM 177 CB ALA A 12 298.254 -14.017 12.350 1.00 0.00 C ATOM 0 H ALA A 12 298.157 -12.425 10.229 1.00 0.00 H new ATOM 0 HA ALA A 12 296.461 -12.885 12.605 1.00 0.00 H new ATOM 0 HB1 ALA A 12 298.366 -14.241 13.411 1.00 0.00 H new ATOM 0 HB2 ALA A 12 297.730 -14.837 11.859 1.00 0.00 H new ATOM 0 HB3 ALA A 12 299.239 -13.894 11.899 1.00 0.00 H new ATOM 183 N GLY A 13 297.562 -11.334 14.135 1.00 0.00 N ATOM 184 CA GLY A 13 298.085 -10.275 14.960 1.00 0.00 C ATOM 185 C GLY A 13 299.106 -10.769 15.949 1.00 0.00 C ATOM 186 O GLY A 13 299.140 -11.951 16.291 1.00 0.00 O ATOM 0 H GLY A 13 296.776 -11.843 14.540 1.00 0.00 H new ATOM 0 HA2 GLY A 13 298.537 -9.513 14.325 1.00 0.00 H new ATOM 0 HA3 GLY A 13 297.265 -9.797 15.496 1.00 0.00 H new ATOM 226 N SER A 17 295.415 -12.787 17.333 1.00 0.00 N ATOM 227 CA SER A 17 294.196 -12.593 16.573 1.00 0.00 C ATOM 228 C SER A 17 294.514 -12.495 15.092 1.00 0.00 C ATOM 229 O SER A 17 295.222 -11.591 14.657 1.00 0.00 O ATOM 230 CB SER A 17 293.474 -11.326 17.038 1.00 0.00 C ATOM 231 OG SER A 17 293.271 -11.338 18.440 1.00 0.00 O ATOM 0 HA SER A 17 293.543 -13.449 16.740 1.00 0.00 H new ATOM 0 HB2 SER A 17 294.058 -10.449 16.760 1.00 0.00 H new ATOM 0 HB3 SER A 17 292.513 -11.244 16.529 1.00 0.00 H new ATOM 0 HG SER A 17 293.967 -11.881 18.867 1.00 0.00 H new ATOM 237 N VAL A 18 293.958 -13.408 14.321 1.00 0.00 N ATOM 238 CA VAL A 18 294.147 -13.426 12.873 1.00 0.00 C ATOM 239 C VAL A 18 292.791 -13.238 12.184 1.00 0.00 C ATOM 240 O VAL A 18 291.747 -13.369 12.824 1.00 0.00 O ATOM 241 CB VAL A 18 294.828 -14.746 12.394 1.00 0.00 C ATOM 242 CG1 VAL A 18 294.471 -15.911 13.297 1.00 0.00 C ATOM 243 CG2 VAL A 18 294.497 -15.065 10.938 1.00 0.00 C ATOM 0 H VAL A 18 293.363 -14.158 14.673 1.00 0.00 H new ATOM 0 HA VAL A 18 294.813 -12.607 12.602 1.00 0.00 H new ATOM 0 HB VAL A 18 295.905 -14.587 12.456 1.00 0.00 H new ATOM 0 HG11 VAL A 18 294.961 -16.815 12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 18 294.804 -15.699 14.313 1.00 0.00 H new ATOM 0 HG13 VAL A 18 293.391 -16.057 13.292 1.00 0.00 H new ATOM 0 HG21 VAL A 18 294.992 -15.992 10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 18 293.419 -15.179 10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 294.844 -14.252 10.300 1.00 0.00 H new ATOM 253 N VAL A 19 292.802 -12.927 10.891 1.00 0.00 N ATOM 254 CA VAL A 19 291.567 -12.720 10.144 1.00 0.00 C ATOM 255 C VAL A 19 291.748 -13.220 8.726 1.00 0.00 C ATOM 256 O VAL A 19 292.849 -13.170 8.199 1.00 0.00 O ATOM 257 CB VAL A 19 291.167 -11.242 10.099 1.00 0.00 C ATOM 258 CG1 VAL A 19 289.703 -11.090 9.706 1.00 0.00 C ATOM 259 CG2 VAL A 19 291.439 -10.581 11.434 1.00 0.00 C ATOM 0 H VAL A 19 293.653 -12.813 10.340 1.00 0.00 H new ATOM 0 HA VAL A 19 290.776 -13.272 10.652 1.00 0.00 H new ATOM 0 HB VAL A 19 291.771 -10.744 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 289.441 -10.032 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 19 289.544 -11.527 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 19 289.075 -11.602 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 19 291.150 -9.531 11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 19 290.862 -11.081 12.212 1.00 0.00 H new ATOM 0 HG23 VAL A 19 292.501 -10.654 11.666 1.00 0.00 H new ATOM 269 N GLN A 20 290.691 -13.711 8.103 1.00 0.00 N ATOM 270 CA GLN A 20 290.821 -14.222 6.747 1.00 0.00 C ATOM 271 C GLN A 20 290.183 -13.311 5.721 1.00 0.00 C ATOM 272 O GLN A 20 288.959 -13.218 5.620 1.00 0.00 O ATOM 273 CB GLN A 20 290.230 -15.624 6.665 1.00 0.00 C ATOM 274 CG GLN A 20 290.723 -16.510 7.787 1.00 0.00 C ATOM 275 CD GLN A 20 290.975 -17.939 7.356 1.00 0.00 C ATOM 276 OE1 GLN A 20 290.768 -18.300 6.198 1.00 0.00 O ATOM 277 NE2 GLN A 20 291.428 -18.760 8.296 1.00 0.00 N ATOM 0 H GLN A 20 289.754 -13.767 8.501 1.00 0.00 H new ATOM 0 HA GLN A 20 291.884 -14.261 6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 20 289.142 -15.562 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 20 290.491 -16.073 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 20 291.645 -16.092 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 20 289.990 -16.505 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 20 291.584 -18.414 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 20 291.620 -19.736 8.071 1.00 0.00 H new ATOM 286 N PHE A 21 291.033 -12.644 4.954 1.00 0.00 N ATOM 287 CA PHE A 21 290.589 -11.734 3.912 1.00 0.00 C ATOM 288 C PHE A 21 290.985 -12.254 2.553 1.00 0.00 C ATOM 289 O PHE A 21 292.171 -12.315 2.227 1.00 0.00 O ATOM 290 CB PHE A 21 291.236 -10.366 4.070 1.00 0.00 C ATOM 291 CG PHE A 21 290.881 -9.663 5.339 1.00 0.00 C ATOM 292 CD1 PHE A 21 289.731 -8.898 5.430 1.00 0.00 C ATOM 293 CD2 PHE A 21 291.707 -9.763 6.442 1.00 0.00 C ATOM 294 CE1 PHE A 21 289.412 -8.247 6.605 1.00 0.00 C ATOM 295 CE2 PHE A 21 291.393 -9.112 7.616 1.00 0.00 C ATOM 296 CZ PHE A 21 290.247 -8.356 7.697 1.00 0.00 C ATOM 0 H PHE A 21 292.047 -12.719 5.037 1.00 0.00 H new ATOM 0 HA PHE A 21 289.505 -11.655 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 21 292.319 -10.481 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 21 290.945 -9.739 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.078 -8.810 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 21 292.607 -10.357 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.511 -7.654 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 21 292.047 -9.196 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 21 290.001 -7.847 8.617 1.00 0.00 H new ATOM 306 N LYS A 22 290.009 -12.579 1.740 1.00 0.00 N ATOM 307 CA LYS A 22 290.304 -13.033 0.404 1.00 0.00 C ATOM 308 C LYS A 22 290.176 -11.865 -0.542 1.00 0.00 C ATOM 309 O LYS A 22 289.163 -11.171 -0.541 1.00 0.00 O ATOM 310 CB LYS A 22 289.459 -14.229 0.003 1.00 0.00 C ATOM 311 CG LYS A 22 288.459 -13.913 -1.005 1.00 0.00 C ATOM 312 CD LYS A 22 287.602 -15.127 -1.330 1.00 0.00 C ATOM 313 CE LYS A 22 287.862 -15.640 -2.728 1.00 0.00 C ATOM 314 NZ LYS A 22 287.415 -17.052 -2.899 1.00 0.00 N ATOM 0 H LYS A 22 289.017 -12.539 1.976 1.00 0.00 H new ATOM 0 HA LYS A 22 291.330 -13.399 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 22 290.111 -15.016 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 22 288.961 -14.626 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 22 287.824 -13.101 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 22 288.951 -13.559 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 22 287.805 -15.919 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 286.549 -14.866 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 22 287.344 -15.007 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 22 288.927 -15.568 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 287.612 -17.363 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 287.927 -17.662 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 286.394 -17.117 -2.715 1.00 0.00 H new ATOM 328 N ILE A 23 291.222 -11.626 -1.324 1.00 0.00 N ATOM 329 CA ILE A 23 291.239 -10.507 -2.241 1.00 0.00 C ATOM 330 C ILE A 23 292.057 -10.837 -3.482 1.00 0.00 C ATOM 331 O ILE A 23 293.188 -11.312 -3.384 1.00 0.00 O ATOM 332 CB ILE A 23 291.803 -9.238 -1.537 1.00 0.00 C ATOM 333 CG1 ILE A 23 292.779 -8.467 -2.440 1.00 0.00 C ATOM 334 CG2 ILE A 23 292.463 -9.604 -0.213 1.00 0.00 C ATOM 335 CD1 ILE A 23 294.142 -8.216 -1.825 1.00 0.00 C ATOM 0 H ILE A 23 292.068 -12.196 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 23 290.215 -10.305 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 23 290.960 -8.577 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 23 292.910 -9.022 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 23 292.331 -7.509 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 23 292.850 -8.703 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 23 291.729 -10.073 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 23 293.283 -10.299 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 23 294.764 -7.667 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 23 294.027 -7.632 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 294.616 -9.169 -1.589 1.00 0.00 H new ATOM 347 N LYS A 24 291.454 -10.579 -4.640 1.00 0.00 N ATOM 348 CA LYS A 24 292.091 -10.832 -5.933 1.00 0.00 C ATOM 349 C LYS A 24 293.615 -10.801 -5.800 1.00 0.00 C ATOM 350 O LYS A 24 294.166 -9.945 -5.107 1.00 0.00 O ATOM 351 CB LYS A 24 291.612 -9.827 -6.950 1.00 0.00 C ATOM 352 CG LYS A 24 290.177 -10.079 -7.360 1.00 0.00 C ATOM 353 CD LYS A 24 290.078 -11.028 -8.542 1.00 0.00 C ATOM 354 CE LYS A 24 290.227 -10.299 -9.865 1.00 0.00 C ATOM 355 NZ LYS A 24 289.792 -11.138 -11.016 1.00 0.00 N ATOM 0 H LYS A 24 290.514 -10.190 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 24 291.809 -11.828 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 24 291.700 -8.822 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 24 292.254 -9.867 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 24 289.627 -10.494 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 24 289.702 -9.132 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 290.850 -11.793 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 24 289.117 -11.541 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 24 289.638 -9.382 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 291.268 -10.006 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 289.683 -10.540 -11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 290.506 -11.871 -11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 288.882 -11.590 -10.792 1.00 0.00 H new ATOM 369 N ARG A 25 294.287 -11.758 -6.423 1.00 0.00 N ATOM 370 CA ARG A 25 295.738 -11.867 -6.327 1.00 0.00 C ATOM 371 C ARG A 25 296.457 -10.576 -6.678 1.00 0.00 C ATOM 372 O ARG A 25 297.116 -9.984 -5.830 1.00 0.00 O ATOM 373 CB ARG A 25 296.238 -12.991 -7.218 1.00 0.00 C ATOM 374 CG ARG A 25 295.827 -14.371 -6.745 1.00 0.00 C ATOM 375 CD ARG A 25 296.801 -15.438 -7.220 1.00 0.00 C ATOM 376 NE ARG A 25 298.022 -15.467 -6.420 1.00 0.00 N ATOM 377 CZ ARG A 25 299.034 -16.302 -6.647 1.00 0.00 C ATOM 378 NH1 ARG A 25 298.976 -17.167 -7.652 1.00 0.00 N ATOM 379 NH2 ARG A 25 300.107 -16.273 -5.870 1.00 0.00 N ATOM 0 H ARG A 25 293.850 -12.474 -7.003 1.00 0.00 H new ATOM 0 HA ARG A 25 295.965 -12.085 -5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 25 295.862 -12.836 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 25 297.326 -12.944 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 25 295.776 -14.383 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 25 294.827 -14.600 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 25 296.317 -16.414 -7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 25 297.057 -15.255 -8.264 1.00 0.00 H new ATOM 0 HE ARG A 25 298.104 -14.811 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 25 298.154 -17.194 -8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 25 299.754 -17.805 -7.822 1.00 0.00 H new ATOM 0 HH21 ARG A 25 300.159 -15.610 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 25 300.881 -16.913 -6.045 1.00 0.00 H new ATOM 393 N HIS A 26 296.355 -10.148 -7.926 1.00 0.00 N ATOM 394 CA HIS A 26 297.032 -8.930 -8.361 1.00 0.00 C ATOM 395 C HIS A 26 296.490 -7.687 -7.660 1.00 0.00 C ATOM 396 O HIS A 26 296.677 -6.571 -8.146 1.00 0.00 O ATOM 397 CB HIS A 26 296.902 -8.756 -9.871 1.00 0.00 C ATOM 398 CG HIS A 26 297.903 -9.546 -10.655 1.00 0.00 C ATOM 399 ND1 HIS A 26 297.991 -10.875 -10.896 1.00 0.00 N flip ATOM 400 CD2 HIS A 26 298.978 -8.970 -11.298 1.00 0.00 C flip ATOM 401 CE1 HIS A 26 299.105 -11.074 -11.673 1.00 0.00 C flip ATOM 402 NE2 HIS A 26 299.683 -9.910 -11.902 1.00 0.00 N flip ATOM 0 H HIS A 26 295.816 -10.619 -8.653 1.00 0.00 H new ATOM 0 HA HIS A 26 298.082 -9.039 -8.091 1.00 0.00 H new ATOM 0 HB2 HIS A 26 295.898 -9.052 -10.177 1.00 0.00 H new ATOM 0 HB3 HIS A 26 297.012 -7.700 -10.117 1.00 0.00 H new ATOM 0 HD2 HIS A 26 299.208 -7.915 -11.307 1.00 0.00 H new ATOM 0 HE1 HIS A 26 299.452 -12.029 -12.038 1.00 0.00 H new ATOM 0 HE2 HIS A 26 300.529 -9.761 -12.451 1.00 0.00 H new ATOM 411 N THR A 27 295.834 -7.864 -6.515 1.00 0.00 N ATOM 412 CA THR A 27 295.303 -6.737 -5.778 1.00 0.00 C ATOM 413 C THR A 27 296.249 -6.337 -4.668 1.00 0.00 C ATOM 414 O THR A 27 296.782 -7.190 -3.961 1.00 0.00 O ATOM 415 CB THR A 27 293.952 -7.069 -5.164 1.00 0.00 C ATOM 416 OG1 THR A 27 293.097 -7.637 -6.124 1.00 0.00 O ATOM 417 CG2 THR A 27 293.278 -5.853 -4.560 1.00 0.00 C ATOM 0 H THR A 27 295.662 -8.773 -6.086 1.00 0.00 H new ATOM 0 HA THR A 27 295.186 -5.915 -6.484 1.00 0.00 H new ATOM 0 HB THR A 27 294.143 -7.785 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 27 292.389 -6.998 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 27 292.317 -6.143 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 27 293.911 -5.438 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 27 293.120 -5.102 -5.334 1.00 0.00 H new ATOM 425 N PRO A 28 296.447 -5.035 -4.467 1.00 0.00 N ATOM 426 CA PRO A 28 297.308 -4.563 -3.405 1.00 0.00 C ATOM 427 C PRO A 28 296.716 -4.919 -2.059 1.00 0.00 C ATOM 428 O PRO A 28 295.629 -4.466 -1.701 1.00 0.00 O ATOM 429 CB PRO A 28 297.364 -3.046 -3.594 1.00 0.00 C ATOM 430 CG PRO A 28 296.700 -2.763 -4.902 1.00 0.00 C ATOM 431 CD PRO A 28 295.825 -3.939 -5.217 1.00 0.00 C ATOM 0 HA PRO A 28 298.301 -5.012 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 28 296.853 -2.533 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 28 298.395 -2.692 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 28 296.110 -1.848 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 28 297.442 -2.614 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 28 294.795 -3.770 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 28 295.801 -4.147 -6.287 1.00 0.00 H new ATOM 439 N LEU A 29 297.429 -5.755 -1.330 1.00 0.00 N ATOM 440 CA LEU A 29 296.985 -6.215 -0.025 1.00 0.00 C ATOM 441 C LEU A 29 296.479 -5.073 0.850 1.00 0.00 C ATOM 442 O LEU A 29 295.757 -5.312 1.817 1.00 0.00 O ATOM 443 CB LEU A 29 298.118 -6.964 0.668 1.00 0.00 C ATOM 444 CG LEU A 29 298.509 -8.264 -0.028 1.00 0.00 C ATOM 445 CD1 LEU A 29 299.945 -8.652 0.282 1.00 0.00 C ATOM 446 CD2 LEU A 29 297.552 -9.370 0.366 1.00 0.00 C ATOM 0 H LEU A 29 298.329 -6.134 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 29 296.143 -6.890 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 29 298.991 -6.314 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 29 297.822 -7.186 1.693 1.00 0.00 H new ATOM 0 HG LEU A 29 298.442 -8.108 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 29 300.189 -9.583 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 300.616 -7.864 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 29 300.061 -8.788 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 29 297.838 -10.295 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 29 297.589 -9.516 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 296.539 -9.096 0.072 1.00 0.00 H new ATOM 458 N SER A 30 296.826 -3.831 0.504 1.00 0.00 N ATOM 459 CA SER A 30 296.365 -2.681 1.267 1.00 0.00 C ATOM 460 C SER A 30 294.852 -2.739 1.471 1.00 0.00 C ATOM 461 O SER A 30 294.322 -2.142 2.408 1.00 0.00 O ATOM 462 CB SER A 30 296.748 -1.380 0.560 1.00 0.00 C ATOM 463 OG SER A 30 296.634 -1.509 -0.846 1.00 0.00 O ATOM 0 H SER A 30 297.420 -3.602 -0.293 1.00 0.00 H new ATOM 0 HA SER A 30 296.849 -2.707 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 30 296.105 -0.571 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 30 297.771 -1.108 0.821 1.00 0.00 H new ATOM 0 HG SER A 30 297.523 -1.647 -1.235 1.00 0.00 H new ATOM 469 N LYS A 31 294.162 -3.494 0.612 1.00 0.00 N ATOM 470 CA LYS A 31 292.724 -3.659 0.730 1.00 0.00 C ATOM 471 C LYS A 31 292.442 -4.620 1.876 1.00 0.00 C ATOM 472 O LYS A 31 291.660 -4.327 2.780 1.00 0.00 O ATOM 473 CB LYS A 31 292.153 -4.197 -0.579 1.00 0.00 C ATOM 474 CG LYS A 31 290.719 -3.778 -0.852 1.00 0.00 C ATOM 475 CD LYS A 31 290.295 -4.145 -2.268 1.00 0.00 C ATOM 476 CE LYS A 31 289.988 -2.912 -3.104 1.00 0.00 C ATOM 477 NZ LYS A 31 289.053 -3.215 -4.224 1.00 0.00 N ATOM 0 H LYS A 31 294.582 -3.997 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 31 292.249 -2.700 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 292.782 -3.859 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 31 292.205 -5.286 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 31 290.054 -4.260 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 31 290.618 -2.702 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 31 291.087 -4.721 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 31 289.414 -4.786 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 31 289.553 -2.141 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 31 290.916 -2.507 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 288.871 -2.348 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 289.478 -3.931 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 288.157 -3.578 -3.840 1.00 0.00 H new ATOM 491 N LEU A 32 293.125 -5.764 1.836 1.00 0.00 N ATOM 492 CA LEU A 32 293.013 -6.792 2.866 1.00 0.00 C ATOM 493 C LEU A 32 293.224 -6.174 4.242 1.00 0.00 C ATOM 494 O LEU A 32 292.466 -6.441 5.174 1.00 0.00 O ATOM 495 CB LEU A 32 294.067 -7.872 2.574 1.00 0.00 C ATOM 496 CG LEU A 32 294.323 -8.944 3.643 1.00 0.00 C ATOM 497 CD1 LEU A 32 294.523 -10.290 2.988 1.00 0.00 C ATOM 498 CD2 LEU A 32 295.545 -8.586 4.466 1.00 0.00 C ATOM 0 H LEU A 32 293.773 -6.003 1.085 1.00 0.00 H new ATOM 0 HA LEU A 32 292.020 -7.241 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 32 293.776 -8.381 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 295.013 -7.369 2.374 1.00 0.00 H new ATOM 0 HG LEU A 32 293.456 -8.992 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 32 294.704 -11.044 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 293.630 -10.555 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 295.379 -10.244 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 32 295.714 -9.355 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 296.416 -8.519 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 295.385 -7.626 4.957 1.00 0.00 H new ATOM 510 N MET A 33 294.252 -5.333 4.362 1.00 0.00 N ATOM 511 CA MET A 33 294.533 -4.679 5.618 1.00 0.00 C ATOM 512 C MET A 33 293.463 -3.644 5.936 1.00 0.00 C ATOM 513 O MET A 33 292.972 -3.569 7.060 1.00 0.00 O ATOM 514 CB MET A 33 295.909 -4.014 5.630 1.00 0.00 C ATOM 515 CG MET A 33 296.883 -4.481 4.568 1.00 0.00 C ATOM 516 SD MET A 33 298.366 -3.449 4.511 1.00 0.00 S ATOM 517 CE MET A 33 299.649 -4.661 4.218 1.00 0.00 C ATOM 0 H MET A 33 294.893 -5.097 3.605 1.00 0.00 H new ATOM 0 HA MET A 33 294.530 -5.455 6.384 1.00 0.00 H new ATOM 0 HB2 MET A 33 295.771 -2.938 5.520 1.00 0.00 H new ATOM 0 HB3 MET A 33 296.362 -4.179 6.608 1.00 0.00 H new ATOM 0 HG2 MET A 33 297.168 -5.514 4.766 1.00 0.00 H new ATOM 0 HG3 MET A 33 296.393 -4.466 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 33 300.625 -4.206 4.389 1.00 0.00 H new ATOM 0 HE2 MET A 33 299.517 -5.503 4.898 1.00 0.00 H new ATOM 0 HE3 MET A 33 299.588 -5.013 3.188 1.00 0.00 H new ATOM 527 N LYS A 34 293.094 -2.847 4.938 1.00 0.00 N ATOM 528 CA LYS A 34 292.073 -1.828 5.129 1.00 0.00 C ATOM 529 C LYS A 34 290.829 -2.448 5.754 1.00 0.00 C ATOM 530 O LYS A 34 290.187 -1.843 6.613 1.00 0.00 O ATOM 531 CB LYS A 34 291.741 -1.152 3.803 1.00 0.00 C ATOM 532 CG LYS A 34 292.656 0.018 3.486 1.00 0.00 C ATOM 533 CD LYS A 34 292.294 1.244 4.308 1.00 0.00 C ATOM 534 CE LYS A 34 292.702 2.528 3.605 1.00 0.00 C ATOM 535 NZ LYS A 34 292.462 3.727 4.454 1.00 0.00 N ATOM 0 H LYS A 34 293.484 -2.888 3.997 1.00 0.00 H new ATOM 0 HA LYS A 34 292.455 -1.065 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 34 291.809 -1.886 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 34 290.709 -0.802 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 293.690 -0.263 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 34 292.589 0.257 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 34 291.220 1.255 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 34 292.784 1.189 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 34 293.758 2.477 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 292.144 2.625 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 292.753 4.582 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 291.450 3.791 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 293.014 3.647 5.332 1.00 0.00 H new ATOM 549 N ALA A 35 290.521 -3.679 5.352 1.00 0.00 N ATOM 550 CA ALA A 35 289.388 -4.402 5.910 1.00 0.00 C ATOM 551 C ALA A 35 289.717 -4.787 7.346 1.00 0.00 C ATOM 552 O ALA A 35 288.878 -4.708 8.239 1.00 0.00 O ATOM 553 CB ALA A 35 289.086 -5.630 5.061 1.00 0.00 C ATOM 0 H ALA A 35 291.042 -4.194 4.642 1.00 0.00 H new ATOM 0 HA ALA A 35 288.498 -3.773 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 288.237 -6.166 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 35 288.848 -5.319 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 35 289.957 -6.285 5.046 1.00 0.00 H new ATOM 559 N TYR A 36 290.977 -5.158 7.552 1.00 0.00 N ATOM 560 CA TYR A 36 291.496 -5.510 8.870 1.00 0.00 C ATOM 561 C TYR A 36 291.352 -4.321 9.800 1.00 0.00 C ATOM 562 O TYR A 36 291.027 -4.473 10.977 1.00 0.00 O ATOM 563 CB TYR A 36 292.961 -5.881 8.726 1.00 0.00 C ATOM 564 CG TYR A 36 293.580 -6.418 9.977 1.00 0.00 C ATOM 565 CD1 TYR A 36 293.058 -7.535 10.599 1.00 0.00 C ATOM 566 CD2 TYR A 36 294.707 -5.819 10.516 1.00 0.00 C ATOM 567 CE1 TYR A 36 293.642 -8.041 11.733 1.00 0.00 C ATOM 568 CE2 TYR A 36 295.307 -6.313 11.642 1.00 0.00 C ATOM 569 CZ TYR A 36 294.773 -7.431 12.258 1.00 0.00 C ATOM 570 OH TYR A 36 295.363 -7.939 13.392 1.00 0.00 O ATOM 0 H TYR A 36 291.670 -5.223 6.806 1.00 0.00 H new ATOM 0 HA TYR A 36 290.941 -6.352 9.285 1.00 0.00 H new ATOM 0 HB2 TYR A 36 293.060 -6.625 7.936 1.00 0.00 H new ATOM 0 HB3 TYR A 36 293.518 -5.000 8.407 1.00 0.00 H new ATOM 0 HD1 TYR A 36 292.182 -8.015 10.189 1.00 0.00 H new ATOM 0 HD2 TYR A 36 295.121 -4.944 10.037 1.00 0.00 H new ATOM 0 HE1 TYR A 36 293.223 -8.911 12.216 1.00 0.00 H new ATOM 0 HE2 TYR A 36 296.188 -5.836 12.046 1.00 0.00 H new ATOM 0 HH TYR A 36 295.215 -8.907 13.432 1.00 0.00 H new ATOM 580 N CYS A 37 291.558 -3.124 9.255 1.00 0.00 N ATOM 581 CA CYS A 37 291.405 -1.904 10.025 1.00 0.00 C ATOM 582 C CYS A 37 289.924 -1.669 10.258 1.00 0.00 C ATOM 583 O CYS A 37 289.502 -1.244 11.334 1.00 0.00 O ATOM 584 CB CYS A 37 292.013 -0.726 9.265 1.00 0.00 C ATOM 585 SG CYS A 37 293.551 -0.113 9.974 1.00 0.00 S ATOM 0 H CYS A 37 291.831 -2.979 8.283 1.00 0.00 H new ATOM 0 HA CYS A 37 291.921 -1.997 10.980 1.00 0.00 H new ATOM 0 HB2 CYS A 37 292.195 -1.027 8.233 1.00 0.00 H new ATOM 0 HB3 CYS A 37 291.288 0.088 9.236 1.00 0.00 H new ATOM 0 HG CYS A 37 293.288 0.614 11.019 1.00 0.00 H new ATOM 673 N SER A 43 294.901 1.636 12.300 1.00 0.00 N ATOM 674 CA SER A 43 295.257 2.705 11.379 1.00 0.00 C ATOM 675 C SER A 43 295.942 2.157 10.121 1.00 0.00 C ATOM 676 O SER A 43 296.144 2.884 9.149 1.00 0.00 O ATOM 677 CB SER A 43 296.199 3.681 12.084 1.00 0.00 C ATOM 678 OG SER A 43 296.235 4.932 11.419 1.00 0.00 O ATOM 0 HA SER A 43 294.342 3.212 11.073 1.00 0.00 H new ATOM 0 HB2 SER A 43 295.874 3.824 13.115 1.00 0.00 H new ATOM 0 HB3 SER A 43 297.203 3.258 12.122 1.00 0.00 H new ATOM 0 HG SER A 43 296.222 4.788 10.450 1.00 0.00 H new ATOM 684 N MET A 44 296.328 0.880 10.162 1.00 0.00 N ATOM 685 CA MET A 44 297.028 0.236 9.047 1.00 0.00 C ATOM 686 C MET A 44 298.399 0.898 8.818 1.00 0.00 C ATOM 687 O MET A 44 299.185 0.447 7.984 1.00 0.00 O ATOM 688 CB MET A 44 296.184 0.295 7.772 1.00 0.00 C ATOM 689 CG MET A 44 296.651 -0.653 6.679 1.00 0.00 C ATOM 690 SD MET A 44 297.310 0.210 5.238 1.00 0.00 S ATOM 691 CE MET A 44 296.691 -0.819 3.908 1.00 0.00 C ATOM 0 H MET A 44 296.166 0.267 10.961 1.00 0.00 H new ATOM 0 HA MET A 44 297.188 -0.812 9.302 1.00 0.00 H new ATOM 0 HB2 MET A 44 295.149 0.063 8.022 1.00 0.00 H new ATOM 0 HB3 MET A 44 296.198 1.314 7.386 1.00 0.00 H new ATOM 0 HG2 MET A 44 297.417 -1.315 7.082 1.00 0.00 H new ATOM 0 HG3 MET A 44 295.817 -1.282 6.370 1.00 0.00 H new ATOM 0 HE1 MET A 44 297.512 -1.395 3.482 1.00 0.00 H new ATOM 0 HE2 MET A 44 295.933 -1.499 4.297 1.00 0.00 H new ATOM 0 HE3 MET A 44 296.251 -0.189 3.135 1.00 0.00 H new ATOM 701 N ARG A 45 298.686 1.949 9.596 1.00 0.00 N ATOM 702 CA ARG A 45 299.959 2.659 9.529 1.00 0.00 C ATOM 703 C ARG A 45 300.733 2.358 10.804 1.00 0.00 C ATOM 704 O ARG A 45 301.915 2.018 10.774 1.00 0.00 O ATOM 705 CB ARG A 45 299.732 4.162 9.380 1.00 0.00 C ATOM 706 CG ARG A 45 300.692 4.830 8.413 1.00 0.00 C ATOM 707 CD ARG A 45 301.838 5.503 9.146 1.00 0.00 C ATOM 708 NE ARG A 45 302.819 6.074 8.226 1.00 0.00 N ATOM 709 CZ ARG A 45 302.598 7.157 7.485 1.00 0.00 C ATOM 710 NH1 ARG A 45 301.434 7.793 7.557 1.00 0.00 N ATOM 711 NH2 ARG A 45 303.542 7.607 6.671 1.00 0.00 N ATOM 0 H ARG A 45 298.039 2.327 10.288 1.00 0.00 H new ATOM 0 HA ARG A 45 300.526 2.327 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 45 298.710 4.335 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 45 299.828 4.634 10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 45 301.088 4.088 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 45 300.156 5.569 7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 45 301.444 6.290 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 45 302.329 4.777 9.794 1.00 0.00 H new ATOM 0 HE ARG A 45 303.727 5.615 8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 45 300.704 7.452 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 45 301.270 8.623 6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 45 304.438 7.123 6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 45 303.372 8.437 6.103 1.00 0.00 H new ATOM 725 N GLN A 46 300.009 2.420 11.922 1.00 0.00 N ATOM 726 CA GLN A 46 300.554 2.086 13.232 1.00 0.00 C ATOM 727 C GLN A 46 300.685 0.570 13.323 1.00 0.00 C ATOM 728 O GLN A 46 301.239 0.016 14.273 1.00 0.00 O ATOM 729 CB GLN A 46 299.614 2.591 14.320 1.00 0.00 C ATOM 730 CG GLN A 46 300.096 2.278 15.722 1.00 0.00 C ATOM 731 CD GLN A 46 299.504 0.998 16.269 1.00 0.00 C ATOM 732 OE1 GLN A 46 298.321 0.716 16.080 1.00 0.00 O ATOM 733 NE2 GLN A 46 300.327 0.217 16.954 1.00 0.00 N ATOM 0 H GLN A 46 299.029 2.703 11.942 1.00 0.00 H new ATOM 0 HA GLN A 46 301.529 2.554 13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 46 299.496 3.670 14.216 1.00 0.00 H new ATOM 0 HB3 GLN A 46 298.629 2.147 14.174 1.00 0.00 H new ATOM 0 HG2 GLN A 46 301.183 2.199 15.719 1.00 0.00 H new ATOM 0 HG3 GLN A 46 299.838 3.105 16.384 1.00 0.00 H new ATOM 0 HE21 GLN A 46 301.300 0.492 17.085 1.00 0.00 H new ATOM 0 HE22 GLN A 46 299.987 -0.659 17.350 1.00 0.00 H new ATOM 742 N ILE A 47 300.168 -0.065 12.285 1.00 0.00 N ATOM 743 CA ILE A 47 300.177 -1.498 12.117 1.00 0.00 C ATOM 744 C ILE A 47 300.846 -1.841 10.791 1.00 0.00 C ATOM 745 O ILE A 47 300.848 -1.037 9.859 1.00 0.00 O ATOM 746 CB ILE A 47 298.732 -2.046 12.173 1.00 0.00 C ATOM 747 CG1 ILE A 47 298.625 -3.417 11.517 1.00 0.00 C ATOM 748 CG2 ILE A 47 297.765 -1.072 11.548 1.00 0.00 C ATOM 749 CD1 ILE A 47 298.700 -3.381 10.025 1.00 0.00 C ATOM 0 H ILE A 47 299.716 0.425 11.513 1.00 0.00 H new ATOM 0 HA ILE A 47 300.742 -1.964 12.924 1.00 0.00 H new ATOM 0 HB ILE A 47 298.466 -2.166 13.223 1.00 0.00 H new ATOM 0 HG12 ILE A 47 299.424 -4.054 11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 47 297.683 -3.878 11.813 1.00 0.00 H new ATOM 0 HG21 ILE A 47 296.755 -1.479 11.599 1.00 0.00 H new ATOM 0 HG22 ILE A 47 297.803 -0.125 12.087 1.00 0.00 H new ATOM 0 HG23 ILE A 47 298.038 -0.907 10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 47 298.617 -4.394 9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 47 297.885 -2.772 9.634 1.00 0.00 H new ATOM 0 HD13 ILE A 47 299.653 -2.951 9.719 1.00 0.00 H new ATOM 761 N ARG A 48 301.415 -3.032 10.714 1.00 0.00 N ATOM 762 CA ARG A 48 302.092 -3.489 9.507 1.00 0.00 C ATOM 763 C ARG A 48 301.947 -4.993 9.365 1.00 0.00 C ATOM 764 O ARG A 48 302.252 -5.739 10.284 1.00 0.00 O ATOM 765 CB ARG A 48 303.570 -3.123 9.561 1.00 0.00 C ATOM 766 CG ARG A 48 303.821 -1.633 9.467 1.00 0.00 C ATOM 767 CD ARG A 48 303.548 -1.136 8.061 1.00 0.00 C ATOM 768 NE ARG A 48 303.118 0.260 8.047 1.00 0.00 N ATOM 769 CZ ARG A 48 303.270 1.075 7.005 1.00 0.00 C ATOM 770 NH1 ARG A 48 303.823 0.636 5.881 1.00 0.00 N ATOM 771 NH2 ARG A 48 302.865 2.334 7.088 1.00 0.00 N ATOM 0 H ARG A 48 301.422 -3.707 11.479 1.00 0.00 H new ATOM 0 HA ARG A 48 301.634 -3.001 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 48 303.997 -3.498 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 48 304.092 -3.625 8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 48 303.183 -1.105 10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 48 304.853 -1.414 9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 48 304.449 -1.244 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 48 302.779 -1.757 7.600 1.00 0.00 H new ATOM 0 HE ARG A 48 302.674 0.633 8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 48 304.135 -0.332 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 48 303.936 1.267 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 48 302.438 2.677 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 48 302.980 2.960 6.291 1.00 0.00 H new ATOM 785 N PHE A 49 301.496 -5.442 8.215 1.00 0.00 N ATOM 786 CA PHE A 49 301.335 -6.869 7.997 1.00 0.00 C ATOM 787 C PHE A 49 302.580 -7.478 7.408 1.00 0.00 C ATOM 788 O PHE A 49 303.265 -6.855 6.605 1.00 0.00 O ATOM 789 CB PHE A 49 300.218 -7.161 7.011 1.00 0.00 C ATOM 790 CG PHE A 49 298.857 -6.748 7.442 1.00 0.00 C ATOM 791 CD1 PHE A 49 298.610 -6.154 8.677 1.00 0.00 C ATOM 792 CD2 PHE A 49 297.810 -6.938 6.572 1.00 0.00 C ATOM 793 CE1 PHE A 49 297.340 -5.761 9.008 1.00 0.00 C ATOM 794 CE2 PHE A 49 296.546 -6.549 6.910 1.00 0.00 C ATOM 795 CZ PHE A 49 296.314 -5.951 8.127 1.00 0.00 C ATOM 0 H PHE A 49 301.236 -4.852 7.424 1.00 0.00 H new ATOM 0 HA PHE A 49 301.113 -7.293 8.976 1.00 0.00 H new ATOM 0 HB2 PHE A 49 300.449 -6.662 6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 49 300.206 -8.232 6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 49 299.420 -6.003 9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 49 297.989 -7.399 5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 49 297.150 -5.301 9.966 1.00 0.00 H new ATOM 0 HE2 PHE A 49 295.729 -6.711 6.223 1.00 0.00 H new ATOM 0 HZ PHE A 49 295.316 -5.630 8.387 1.00 0.00 H new ATOM 805 N ARG A 50 302.830 -8.714 7.776 1.00 0.00 N ATOM 806 CA ARG A 50 303.923 -9.484 7.258 1.00 0.00 C ATOM 807 C ARG A 50 303.329 -10.764 6.746 1.00 0.00 C ATOM 808 O ARG A 50 302.439 -11.326 7.353 1.00 0.00 O ATOM 809 CB ARG A 50 304.973 -9.787 8.309 1.00 0.00 C ATOM 810 CG ARG A 50 306.132 -10.531 7.753 1.00 0.00 C ATOM 811 CD ARG A 50 306.259 -11.964 8.244 1.00 0.00 C ATOM 812 NE ARG A 50 305.468 -12.298 9.430 1.00 0.00 N ATOM 813 CZ ARG A 50 305.729 -13.337 10.222 1.00 0.00 C ATOM 814 NH1 ARG A 50 306.761 -14.133 9.969 1.00 0.00 N ATOM 815 NH2 ARG A 50 304.955 -13.582 11.271 1.00 0.00 N ATOM 0 H ARG A 50 302.263 -9.217 8.459 1.00 0.00 H new ATOM 0 HA ARG A 50 304.433 -8.920 6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 50 305.322 -8.853 8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 50 304.522 -10.370 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 50 306.054 -10.539 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 50 307.046 -9.993 8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 50 305.968 -12.634 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 50 307.308 -12.163 8.461 1.00 0.00 H new ATOM 0 HE ARG A 50 304.673 -11.702 9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 50 307.360 -13.951 9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 50 306.955 -14.927 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 50 304.160 -12.975 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 50 305.155 -14.377 11.877 1.00 0.00 H new ATOM 829 N PHE A 51 303.790 -11.192 5.618 1.00 0.00 N ATOM 830 CA PHE A 51 303.273 -12.385 4.994 1.00 0.00 C ATOM 831 C PHE A 51 304.119 -13.565 5.405 1.00 0.00 C ATOM 832 O PHE A 51 305.251 -13.399 5.835 1.00 0.00 O ATOM 833 CB PHE A 51 303.150 -12.226 3.475 1.00 0.00 C ATOM 834 CG PHE A 51 303.321 -13.494 2.678 1.00 0.00 C ATOM 835 CD1 PHE A 51 302.374 -14.499 2.758 1.00 0.00 C ATOM 836 CD2 PHE A 51 304.416 -13.677 1.848 1.00 0.00 C ATOM 837 CE1 PHE A 51 302.514 -15.666 2.032 1.00 0.00 C ATOM 838 CE2 PHE A 51 304.562 -14.842 1.118 1.00 0.00 C ATOM 839 CZ PHE A 51 303.611 -15.839 1.211 1.00 0.00 C ATOM 0 H PHE A 51 304.535 -10.732 5.095 1.00 0.00 H new ATOM 0 HA PHE A 51 302.256 -12.566 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 51 302.171 -11.804 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 51 303.894 -11.503 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 51 301.513 -14.370 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 51 305.163 -12.901 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 51 301.767 -16.442 2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 51 305.420 -14.972 0.475 1.00 0.00 H new ATOM 0 HZ PHE A 51 303.725 -16.751 0.644 1.00 0.00 H new ATOM 849 N ASP A 52 303.530 -14.737 5.294 1.00 0.00 N ATOM 850 CA ASP A 52 304.213 -15.960 5.686 1.00 0.00 C ATOM 851 C ASP A 52 305.656 -15.782 5.246 1.00 0.00 C ATOM 852 O ASP A 52 306.037 -16.051 4.107 1.00 0.00 O ATOM 853 CB ASP A 52 303.588 -17.183 5.019 1.00 0.00 C ATOM 854 CG ASP A 52 304.050 -18.480 5.652 1.00 0.00 C ATOM 855 OD1 ASP A 52 303.656 -18.750 6.805 1.00 0.00 O ATOM 856 OD2 ASP A 52 304.809 -19.223 4.995 1.00 0.00 O ATOM 0 H ASP A 52 302.584 -14.873 4.938 1.00 0.00 H new ATOM 0 HA ASP A 52 304.136 -16.129 6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 302.502 -17.115 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 52 303.843 -17.187 3.959 1.00 0.00 H new ATOM 861 N GLY A 53 306.425 -15.244 6.197 1.00 0.00 N ATOM 862 CA GLY A 53 307.812 -14.921 5.977 1.00 0.00 C ATOM 863 C GLY A 53 307.999 -13.843 4.912 1.00 0.00 C ATOM 864 O GLY A 53 308.618 -14.115 3.884 1.00 0.00 O ATOM 0 H GLY A 53 306.091 -15.025 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 53 308.256 -14.583 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 53 308.348 -15.821 5.676 1.00 0.00 H new ATOM 868 N GLN A 54 307.498 -12.603 5.132 1.00 0.00 N ATOM 869 CA GLN A 54 307.673 -11.528 4.152 1.00 0.00 C ATOM 870 C GLN A 54 307.042 -10.233 4.687 1.00 0.00 C ATOM 871 O GLN A 54 305.830 -10.055 4.600 1.00 0.00 O ATOM 872 CB GLN A 54 307.045 -11.905 2.810 1.00 0.00 C ATOM 873 CG GLN A 54 307.798 -11.353 1.610 1.00 0.00 C ATOM 874 CD GLN A 54 309.257 -11.764 1.596 1.00 0.00 C ATOM 875 OE1 GLN A 54 309.594 -12.889 1.228 1.00 0.00 O ATOM 876 NE2 GLN A 54 310.132 -10.850 1.998 1.00 0.00 N ATOM 0 H GLN A 54 306.979 -12.335 5.968 1.00 0.00 H new ATOM 0 HA GLN A 54 308.740 -11.372 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 54 307.000 -12.991 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 54 306.018 -11.540 2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 54 307.318 -11.699 0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 54 307.731 -10.265 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 54 309.808 -9.929 2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 54 311.128 -11.068 2.010 1.00 0.00 H new ATOM 885 N PRO A 55 307.866 -9.344 5.293 1.00 0.00 N ATOM 886 CA PRO A 55 307.453 -8.056 5.919 1.00 0.00 C ATOM 887 C PRO A 55 306.364 -7.228 5.201 1.00 0.00 C ATOM 888 O PRO A 55 306.167 -6.066 5.541 1.00 0.00 O ATOM 889 CB PRO A 55 308.742 -7.239 5.913 1.00 0.00 C ATOM 890 CG PRO A 55 309.855 -8.164 5.514 1.00 0.00 C ATOM 891 CD PRO A 55 309.303 -9.554 5.479 1.00 0.00 C ATOM 0 HA PRO A 55 307.000 -8.281 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 55 308.666 -6.406 5.214 1.00 0.00 H new ATOM 0 HB3 PRO A 55 308.931 -6.813 6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 55 310.252 -7.886 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 55 310.680 -8.098 6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 55 309.733 -10.137 4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 55 309.514 -10.094 6.402 1.00 0.00 H new ATOM 899 N ILE A 56 305.657 -7.834 4.270 1.00 0.00 N ATOM 900 CA ILE A 56 304.560 -7.204 3.523 1.00 0.00 C ATOM 901 C ILE A 56 304.589 -5.679 3.416 1.00 0.00 C ATOM 902 O ILE A 56 305.129 -4.960 4.251 1.00 0.00 O ATOM 903 CB ILE A 56 303.203 -7.585 4.136 1.00 0.00 C ATOM 904 CG1 ILE A 56 302.883 -9.034 3.832 1.00 0.00 C ATOM 905 CG2 ILE A 56 302.084 -6.639 3.683 1.00 0.00 C ATOM 906 CD1 ILE A 56 301.563 -9.221 3.162 1.00 0.00 C ATOM 0 H ILE A 56 305.824 -8.802 3.996 1.00 0.00 H new ATOM 0 HA ILE A 56 304.701 -7.591 2.514 1.00 0.00 H new ATOM 0 HB ILE A 56 303.273 -7.474 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 56 303.667 -9.446 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 56 302.894 -9.604 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 56 301.142 -6.944 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 56 302.322 -5.620 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 56 301.991 -6.679 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 56 301.398 -10.282 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 56 300.771 -8.839 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 56 301.555 -8.679 2.216 1.00 0.00 H new ATOM 918 N ASN A 57 303.931 -5.223 2.359 1.00 0.00 N ATOM 919 CA ASN A 57 303.779 -3.814 2.068 1.00 0.00 C ATOM 920 C ASN A 57 302.314 -3.481 1.841 1.00 0.00 C ATOM 921 O ASN A 57 301.442 -4.336 1.991 1.00 0.00 O ATOM 922 CB ASN A 57 304.589 -3.459 0.839 1.00 0.00 C ATOM 923 CG ASN A 57 305.890 -2.766 1.184 1.00 0.00 C ATOM 924 OD1 ASN A 57 306.182 -1.682 0.678 1.00 0.00 O ATOM 925 ND2 ASN A 57 306.679 -3.388 2.050 1.00 0.00 N ATOM 0 H ASN A 57 303.484 -5.833 1.674 1.00 0.00 H new ATOM 0 HA ASN A 57 304.141 -3.233 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 57 304.803 -4.366 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 57 303.997 -2.812 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 57 307.568 -2.969 2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 57 306.396 -4.285 2.444 1.00 0.00 H new ATOM 932 N GLU A 58 302.048 -2.237 1.475 1.00 0.00 N ATOM 933 CA GLU A 58 300.686 -1.801 1.225 1.00 0.00 C ATOM 934 C GLU A 58 300.286 -2.088 -0.218 1.00 0.00 C ATOM 935 O GLU A 58 299.111 -2.296 -0.520 1.00 0.00 O ATOM 936 CB GLU A 58 300.546 -0.307 1.520 1.00 0.00 C ATOM 937 CG GLU A 58 299.895 -0.013 2.859 1.00 0.00 C ATOM 938 CD GLU A 58 299.918 1.461 3.211 1.00 0.00 C ATOM 939 OE1 GLU A 58 300.896 1.905 3.848 1.00 0.00 O ATOM 940 OE2 GLU A 58 298.956 2.172 2.850 1.00 0.00 O ATOM 0 H GLU A 58 302.756 -1.514 1.345 1.00 0.00 H new ATOM 0 HA GLU A 58 300.021 -2.357 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 58 301.533 0.154 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 58 299.958 0.158 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 58 298.862 -0.362 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 58 300.408 -0.576 3.639 1.00 0.00 H new ATOM 947 N THR A 59 301.273 -2.092 -1.106 1.00 0.00 N ATOM 948 CA THR A 59 301.030 -2.347 -2.520 1.00 0.00 C ATOM 949 C THR A 59 301.298 -3.807 -2.884 1.00 0.00 C ATOM 950 O THR A 59 301.004 -4.235 -4.000 1.00 0.00 O ATOM 951 CB THR A 59 301.906 -1.431 -3.373 1.00 0.00 C ATOM 952 OG1 THR A 59 303.272 -1.570 -3.021 1.00 0.00 O ATOM 953 CG2 THR A 59 301.543 0.032 -3.243 1.00 0.00 C ATOM 0 H THR A 59 302.251 -1.921 -0.871 1.00 0.00 H new ATOM 0 HA THR A 59 299.979 -2.139 -2.720 1.00 0.00 H new ATOM 0 HB THR A 59 301.732 -1.742 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 59 303.816 -0.976 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 59 302.203 0.628 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 59 300.510 0.180 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 59 301.655 0.344 -2.205 1.00 0.00 H new ATOM 961 N ASP A 60 301.851 -4.571 -1.944 1.00 0.00 N ATOM 962 CA ASP A 60 302.144 -5.980 -2.189 1.00 0.00 C ATOM 963 C ASP A 60 300.861 -6.760 -2.437 1.00 0.00 C ATOM 964 O ASP A 60 299.839 -6.507 -1.802 1.00 0.00 O ATOM 965 CB ASP A 60 302.893 -6.587 -1.003 1.00 0.00 C ATOM 966 CG ASP A 60 304.396 -6.424 -1.123 1.00 0.00 C ATOM 967 OD1 ASP A 60 304.841 -5.615 -1.964 1.00 0.00 O ATOM 968 OD2 ASP A 60 305.129 -7.105 -0.375 1.00 0.00 O ATOM 0 H ASP A 60 302.103 -4.241 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 60 302.773 -6.043 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 60 302.552 -6.115 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 60 302.650 -7.647 -0.928 1.00 0.00 H new ATOM 973 N THR A 61 300.917 -7.711 -3.361 1.00 0.00 N ATOM 974 CA THR A 61 299.751 -8.523 -3.682 1.00 0.00 C ATOM 975 C THR A 61 300.071 -10.004 -3.618 1.00 0.00 C ATOM 976 O THR A 61 301.194 -10.420 -3.887 1.00 0.00 O ATOM 977 CB THR A 61 299.199 -8.176 -5.061 1.00 0.00 C ATOM 978 OG1 THR A 61 299.777 -8.994 -6.064 1.00 0.00 O ATOM 979 CG2 THR A 61 299.420 -6.733 -5.458 1.00 0.00 C ATOM 0 H THR A 61 301.753 -7.938 -3.899 1.00 0.00 H new ATOM 0 HA THR A 61 298.992 -8.299 -2.932 1.00 0.00 H new ATOM 0 HB THR A 61 298.126 -8.351 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 61 299.142 -9.696 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 61 299.001 -6.560 -6.449 1.00 0.00 H new ATOM 0 HG22 THR A 61 298.929 -6.078 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 61 300.489 -6.519 -5.473 1.00 0.00 H new ATOM 987 N PRO A 62 299.068 -10.820 -3.264 1.00 0.00 N ATOM 988 CA PRO A 62 299.220 -12.266 -3.169 1.00 0.00 C ATOM 989 C PRO A 62 300.057 -12.830 -4.315 1.00 0.00 C ATOM 990 O PRO A 62 300.970 -13.615 -4.093 1.00 0.00 O ATOM 991 CB PRO A 62 297.786 -12.768 -3.300 1.00 0.00 C ATOM 992 CG PRO A 62 296.901 -11.654 -2.859 1.00 0.00 C ATOM 993 CD PRO A 62 297.701 -10.381 -2.930 1.00 0.00 C ATOM 0 HA PRO A 62 299.726 -12.565 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 62 297.568 -13.051 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 62 297.628 -13.654 -2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 62 296.020 -11.589 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 62 296.546 -11.827 -1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 62 297.305 -9.706 -3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 62 297.677 -9.844 -1.982 1.00 0.00 H new ATOM 1001 N ALA A 63 299.754 -12.402 -5.541 1.00 0.00 N ATOM 1002 CA ALA A 63 300.495 -12.841 -6.720 1.00 0.00 C ATOM 1003 C ALA A 63 301.927 -12.401 -6.616 1.00 0.00 C ATOM 1004 O ALA A 63 302.871 -13.130 -6.922 1.00 0.00 O ATOM 1005 CB ALA A 63 299.921 -12.175 -7.937 1.00 0.00 C ATOM 0 H ALA A 63 298.997 -11.749 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 63 300.428 -13.927 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 63 300.470 -12.498 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 63 298.871 -12.449 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 63 300.005 -11.093 -7.833 1.00 0.00 H new ATOM 1011 N GLN A 64 302.043 -11.184 -6.148 1.00 0.00 N ATOM 1012 CA GLN A 64 303.298 -10.529 -5.927 1.00 0.00 C ATOM 1013 C GLN A 64 304.022 -11.203 -4.773 1.00 0.00 C ATOM 1014 O GLN A 64 305.241 -11.117 -4.628 1.00 0.00 O ATOM 1015 CB GLN A 64 302.969 -9.084 -5.587 1.00 0.00 C ATOM 1016 CG GLN A 64 303.538 -8.080 -6.558 1.00 0.00 C ATOM 1017 CD GLN A 64 305.039 -7.916 -6.427 1.00 0.00 C ATOM 1018 OE1 GLN A 64 305.812 -8.613 -7.084 1.00 0.00 O ATOM 1019 NE2 GLN A 64 305.460 -6.989 -5.574 1.00 0.00 N ATOM 0 H GLN A 64 301.238 -10.607 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 64 303.948 -10.581 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 64 301.886 -8.967 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 64 303.345 -8.862 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 64 303.299 -8.391 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 64 303.057 -7.115 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 64 304.784 -6.434 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 64 306.459 -6.832 -5.443 1.00 0.00 H new ATOM 1028 N LEU A 65 303.220 -11.850 -3.946 1.00 0.00 N ATOM 1029 CA LEU A 65 303.681 -12.538 -2.764 1.00 0.00 C ATOM 1030 C LEU A 65 303.531 -14.050 -2.906 1.00 0.00 C ATOM 1031 O LEU A 65 303.757 -14.803 -1.958 1.00 0.00 O ATOM 1032 CB LEU A 65 302.849 -12.013 -1.602 1.00 0.00 C ATOM 1033 CG LEU A 65 303.152 -10.565 -1.221 1.00 0.00 C ATOM 1034 CD1 LEU A 65 302.519 -10.204 0.106 1.00 0.00 C ATOM 1035 CD2 LEU A 65 304.647 -10.331 -1.187 1.00 0.00 C ATOM 0 H LEU A 65 302.211 -11.910 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 65 304.742 -12.352 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 65 301.793 -12.096 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 65 303.017 -12.649 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 65 302.718 -9.916 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 65 302.752 -9.168 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 65 301.438 -10.327 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 65 302.910 -10.857 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 65 304.847 -9.295 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 65 305.102 -10.994 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 65 305.070 -10.535 -2.171 1.00 0.00 H new ATOM 1047 N GLU A 66 303.135 -14.480 -4.098 1.00 0.00 N ATOM 1048 CA GLU A 66 302.930 -15.893 -4.393 1.00 0.00 C ATOM 1049 C GLU A 66 302.084 -16.545 -3.302 1.00 0.00 C ATOM 1050 O GLU A 66 302.384 -17.642 -2.831 1.00 0.00 O ATOM 1051 CB GLU A 66 304.274 -16.615 -4.526 1.00 0.00 C ATOM 1052 CG GLU A 66 305.018 -16.283 -5.810 1.00 0.00 C ATOM 1053 CD GLU A 66 306.317 -17.053 -5.948 1.00 0.00 C ATOM 1054 OE1 GLU A 66 307.207 -16.875 -5.091 1.00 0.00 O ATOM 1055 OE2 GLU A 66 306.444 -17.835 -6.914 1.00 0.00 O ATOM 0 H GLU A 66 302.947 -13.860 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 66 302.400 -15.974 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 66 304.902 -16.355 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 66 304.105 -17.691 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 66 304.377 -16.503 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 66 305.229 -15.214 -5.837 1.00 0.00 H new ATOM 1062 N MET A 67 301.028 -15.845 -2.907 1.00 0.00 N ATOM 1063 CA MET A 67 300.123 -16.319 -1.870 1.00 0.00 C ATOM 1064 C MET A 67 299.025 -17.200 -2.456 1.00 0.00 C ATOM 1065 O MET A 67 298.806 -17.209 -3.668 1.00 0.00 O ATOM 1066 CB MET A 67 299.501 -15.123 -1.148 1.00 0.00 C ATOM 1067 CG MET A 67 300.449 -14.433 -0.185 1.00 0.00 C ATOM 1068 SD MET A 67 299.618 -13.830 1.296 1.00 0.00 S ATOM 1069 CE MET A 67 299.812 -12.062 1.087 1.00 0.00 C ATOM 0 H MET A 67 300.776 -14.936 -3.295 1.00 0.00 H new ATOM 0 HA MET A 67 300.695 -16.919 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 67 299.159 -14.400 -1.889 1.00 0.00 H new ATOM 0 HB3 MET A 67 298.620 -15.458 -0.600 1.00 0.00 H new ATOM 0 HG2 MET A 67 301.237 -15.128 0.103 1.00 0.00 H new ATOM 0 HG3 MET A 67 300.931 -13.597 -0.692 1.00 0.00 H new ATOM 0 HE1 MET A 67 298.962 -11.547 1.536 1.00 0.00 H new ATOM 0 HE2 MET A 67 300.732 -11.737 1.574 1.00 0.00 H new ATOM 0 HE3 MET A 67 299.860 -11.824 0.024 1.00 0.00 H new ATOM 1079 N GLU A 68 298.332 -17.932 -1.588 1.00 0.00 N ATOM 1080 CA GLU A 68 297.249 -18.809 -2.025 1.00 0.00 C ATOM 1081 C GLU A 68 295.931 -18.438 -1.386 1.00 0.00 C ATOM 1082 O GLU A 68 295.819 -17.460 -0.647 1.00 0.00 O ATOM 1083 CB GLU A 68 297.522 -20.262 -1.659 1.00 0.00 C ATOM 1084 CG GLU A 68 297.815 -21.157 -2.851 1.00 0.00 C ATOM 1085 CD GLU A 68 298.747 -22.302 -2.503 1.00 0.00 C ATOM 1086 OE1 GLU A 68 299.919 -22.032 -2.164 1.00 0.00 O ATOM 1087 OE2 GLU A 68 298.306 -23.469 -2.570 1.00 0.00 O ATOM 0 H GLU A 68 298.500 -17.936 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 68 297.194 -18.688 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 68 298.368 -20.300 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 68 296.660 -20.659 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 68 296.879 -21.560 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 68 298.259 -20.561 -3.648 1.00 0.00 H new ATOM 1094 N ASP A 69 294.940 -19.264 -1.667 1.00 0.00 N ATOM 1095 CA ASP A 69 293.618 -19.075 -1.124 1.00 0.00 C ATOM 1096 C ASP A 69 293.496 -19.772 0.229 1.00 0.00 C ATOM 1097 O ASP A 69 293.452 -20.997 0.330 1.00 0.00 O ATOM 1098 CB ASP A 69 292.564 -19.543 -2.126 1.00 0.00 C ATOM 1099 CG ASP A 69 292.206 -21.012 -1.992 1.00 0.00 C ATOM 1100 OD1 ASP A 69 293.037 -21.862 -2.374 1.00 0.00 O ATOM 1101 OD2 ASP A 69 291.096 -21.310 -1.504 1.00 0.00 O ATOM 0 H ASP A 69 295.033 -20.078 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 69 293.443 -18.013 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 69 291.662 -18.945 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 69 292.928 -19.357 -3.136 1.00 0.00 H new ATOM 1106 N GLU A 70 293.472 -18.926 1.244 1.00 0.00 N ATOM 1107 CA GLU A 70 293.382 -19.312 2.658 1.00 0.00 C ATOM 1108 C GLU A 70 294.728 -19.130 3.339 1.00 0.00 C ATOM 1109 O GLU A 70 294.889 -19.463 4.513 1.00 0.00 O ATOM 1110 CB GLU A 70 292.888 -20.754 2.843 1.00 0.00 C ATOM 1111 CG GLU A 70 291.460 -20.973 2.364 1.00 0.00 C ATOM 1112 CD GLU A 70 290.912 -22.331 2.758 1.00 0.00 C ATOM 1113 OE1 GLU A 70 291.256 -22.814 3.858 1.00 0.00 O ATOM 1114 OE2 GLU A 70 290.138 -22.911 1.968 1.00 0.00 O ATOM 0 H GLU A 70 293.516 -17.916 1.111 1.00 0.00 H new ATOM 0 HA GLU A 70 292.645 -18.656 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 70 293.552 -21.429 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 70 292.954 -21.020 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 70 290.819 -20.194 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 70 291.426 -20.873 1.279 1.00 0.00 H new ATOM 1121 N ASP A 71 295.695 -18.592 2.594 1.00 0.00 N ATOM 1122 CA ASP A 71 297.023 -18.354 3.124 1.00 0.00 C ATOM 1123 C ASP A 71 296.932 -17.541 4.403 1.00 0.00 C ATOM 1124 O ASP A 71 295.848 -17.346 4.953 1.00 0.00 O ATOM 1125 CB ASP A 71 297.891 -17.629 2.087 1.00 0.00 C ATOM 1126 CG ASP A 71 299.303 -18.178 2.031 1.00 0.00 C ATOM 1127 OD1 ASP A 71 300.129 -17.778 2.877 1.00 0.00 O ATOM 1128 OD2 ASP A 71 299.582 -19.006 1.139 1.00 0.00 O ATOM 0 H ASP A 71 295.575 -18.315 1.620 1.00 0.00 H new ATOM 0 HA ASP A 71 297.489 -19.313 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 71 297.430 -17.719 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 71 297.926 -16.566 2.326 1.00 0.00 H new ATOM 1133 N THR A 72 298.060 -17.057 4.874 1.00 0.00 N ATOM 1134 CA THR A 72 298.072 -16.262 6.085 1.00 0.00 C ATOM 1135 C THR A 72 298.934 -15.026 5.939 1.00 0.00 C ATOM 1136 O THR A 72 300.122 -15.092 5.621 1.00 0.00 O ATOM 1137 CB THR A 72 298.546 -17.075 7.291 1.00 0.00 C ATOM 1138 OG1 THR A 72 297.668 -18.161 7.548 1.00 0.00 O ATOM 1139 CG2 THR A 72 298.659 -16.245 8.561 1.00 0.00 C ATOM 0 H THR A 72 298.974 -17.197 4.443 1.00 0.00 H new ATOM 0 HA THR A 72 297.042 -15.950 6.255 1.00 0.00 H new ATOM 0 HB THR A 72 299.539 -17.438 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 72 297.992 -18.667 8.322 1.00 0.00 H new ATOM 0 HG21 THR A 72 299.000 -16.878 9.380 1.00 0.00 H new ATOM 0 HG22 THR A 72 299.374 -15.437 8.405 1.00 0.00 H new ATOM 0 HG23 THR A 72 297.684 -15.824 8.809 1.00 0.00 H new ATOM 1147 N ILE A 73 298.324 -13.918 6.280 1.00 0.00 N ATOM 1148 CA ILE A 73 298.978 -12.646 6.320 1.00 0.00 C ATOM 1149 C ILE A 73 299.309 -12.435 7.781 1.00 0.00 C ATOM 1150 O ILE A 73 298.487 -12.694 8.646 1.00 0.00 O ATOM 1151 CB ILE A 73 298.067 -11.492 5.814 1.00 0.00 C ATOM 1152 CG1 ILE A 73 298.296 -11.255 4.347 1.00 0.00 C ATOM 1153 CG2 ILE A 73 298.347 -10.202 6.583 1.00 0.00 C ATOM 1154 CD1 ILE A 73 299.725 -11.357 3.955 1.00 0.00 C ATOM 0 H ILE A 73 297.339 -13.881 6.542 1.00 0.00 H new ATOM 0 HA ILE A 73 299.853 -12.638 5.670 1.00 0.00 H new ATOM 0 HB ILE A 73 297.030 -11.784 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 73 297.716 -11.978 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 73 297.923 -10.266 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 73 297.698 -9.409 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 73 298.154 -10.362 7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 73 299.389 -9.914 6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 73 299.822 -11.176 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 73 300.306 -10.616 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 73 300.096 -12.355 4.189 1.00 0.00 H new ATOM 1166 N ASP A 74 300.498 -12.016 8.072 1.00 0.00 N ATOM 1167 CA ASP A 74 300.876 -11.824 9.459 1.00 0.00 C ATOM 1168 C ASP A 74 300.805 -10.359 9.801 1.00 0.00 C ATOM 1169 O ASP A 74 301.096 -9.509 8.971 1.00 0.00 O ATOM 1170 CB ASP A 74 302.275 -12.376 9.742 1.00 0.00 C ATOM 1171 CG ASP A 74 302.534 -13.698 9.045 1.00 0.00 C ATOM 1172 OD1 ASP A 74 302.552 -13.720 7.797 1.00 0.00 O ATOM 1173 OD2 ASP A 74 302.718 -14.713 9.750 1.00 0.00 O ATOM 0 H ASP A 74 301.224 -11.799 7.389 1.00 0.00 H new ATOM 0 HA ASP A 74 300.177 -12.377 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 74 303.020 -11.648 9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 74 302.399 -12.506 10.817 1.00 0.00 H new ATOM 1178 N VAL A 75 300.408 -10.059 11.014 1.00 0.00 N ATOM 1179 CA VAL A 75 300.309 -8.677 11.434 1.00 0.00 C ATOM 1180 C VAL A 75 301.406 -8.329 12.405 1.00 0.00 C ATOM 1181 O VAL A 75 301.646 -9.025 13.392 1.00 0.00 O ATOM 1182 CB VAL A 75 298.953 -8.311 12.077 1.00 0.00 C ATOM 1183 CG1 VAL A 75 299.137 -7.263 13.173 1.00 0.00 C ATOM 1184 CG2 VAL A 75 297.995 -7.793 11.029 1.00 0.00 C ATOM 0 H VAL A 75 300.150 -10.744 11.724 1.00 0.00 H new ATOM 0 HA VAL A 75 300.405 -8.098 10.516 1.00 0.00 H new ATOM 0 HB VAL A 75 298.537 -9.214 12.524 1.00 0.00 H new ATOM 0 HG11 VAL A 75 298.169 -7.021 13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 75 299.797 -7.657 13.946 1.00 0.00 H new ATOM 0 HG13 VAL A 75 299.577 -6.362 12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 75 297.044 -7.540 11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 75 298.416 -6.904 10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 75 297.833 -8.561 10.273 1.00 0.00 H new ATOM 1194 N PHE A 76 302.015 -7.208 12.135 1.00 0.00 N ATOM 1195 CA PHE A 76 303.049 -6.643 12.958 1.00 0.00 C ATOM 1196 C PHE A 76 302.789 -5.168 12.968 1.00 0.00 C ATOM 1197 O PHE A 76 302.729 -4.527 11.930 1.00 0.00 O ATOM 1198 CB PHE A 76 304.423 -6.858 12.388 1.00 0.00 C ATOM 1199 CG PHE A 76 304.877 -8.292 12.359 1.00 0.00 C ATOM 1200 CD1 PHE A 76 304.846 -9.039 13.525 1.00 0.00 C ATOM 1201 CD2 PHE A 76 305.360 -8.889 11.195 1.00 0.00 C ATOM 1202 CE1 PHE A 76 305.283 -10.348 13.542 1.00 0.00 C ATOM 1203 CE2 PHE A 76 305.793 -10.197 11.214 1.00 0.00 C ATOM 1204 CZ PHE A 76 305.757 -10.927 12.386 1.00 0.00 C ATOM 0 H PHE A 76 301.799 -6.645 11.312 1.00 0.00 H new ATOM 0 HA PHE A 76 303.027 -7.110 13.943 1.00 0.00 H new ATOM 0 HB2 PHE A 76 304.445 -6.464 11.372 1.00 0.00 H new ATOM 0 HB3 PHE A 76 305.138 -6.277 12.971 1.00 0.00 H new ATOM 0 HD1 PHE A 76 304.474 -8.590 14.434 1.00 0.00 H new ATOM 0 HD2 PHE A 76 305.395 -8.324 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 76 305.253 -10.917 14.460 1.00 0.00 H new ATOM 0 HE2 PHE A 76 306.162 -10.654 10.308 1.00 0.00 H new ATOM 0 HZ PHE A 76 306.100 -11.951 12.396 1.00 0.00 H new ATOM 1214 N GLN A 77 302.617 -4.646 14.118 1.00 0.00 N ATOM 1215 CA GLN A 77 302.322 -3.243 14.250 1.00 0.00 C ATOM 1216 C GLN A 77 303.601 -2.443 14.450 1.00 0.00 C ATOM 1217 O GLN A 77 304.347 -2.668 15.403 1.00 0.00 O ATOM 1218 CB GLN A 77 301.311 -3.047 15.371 1.00 0.00 C ATOM 1219 CG GLN A 77 299.910 -2.747 14.868 1.00 0.00 C ATOM 1220 CD GLN A 77 298.835 -3.145 15.860 1.00 0.00 C ATOM 1221 OE1 GLN A 77 298.438 -2.352 16.714 1.00 0.00 O ATOM 1222 NE2 GLN A 77 298.359 -4.380 15.751 1.00 0.00 N ATOM 0 H GLN A 77 302.672 -5.158 14.999 1.00 0.00 H new ATOM 0 HA GLN A 77 301.871 -2.865 13.332 1.00 0.00 H new ATOM 0 HB2 GLN A 77 301.284 -3.945 15.988 1.00 0.00 H new ATOM 0 HB3 GLN A 77 301.643 -2.230 16.012 1.00 0.00 H new ATOM 0 HG2 GLN A 77 299.825 -1.681 14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 77 299.745 -3.274 13.928 1.00 0.00 H new ATOM 0 HE21 GLN A 77 298.718 -5.003 15.027 1.00 0.00 H new ATOM 0 HE22 GLN A 77 297.634 -4.706 16.391 1.00 0.00 H new ATOM 1231 N GLN A 78 303.857 -1.519 13.523 1.00 0.00 N ATOM 1232 CA GLN A 78 305.053 -0.687 13.558 1.00 0.00 C ATOM 1233 C GLN A 78 306.316 -1.531 13.684 1.00 0.00 C ATOM 1234 O GLN A 78 306.249 -2.760 13.664 1.00 0.00 O ATOM 1235 CB GLN A 78 304.962 0.345 14.678 1.00 0.00 C ATOM 1236 CG GLN A 78 304.996 1.776 14.170 1.00 0.00 C ATOM 1237 CD GLN A 78 304.041 2.685 14.918 1.00 0.00 C ATOM 1238 OE1 GLN A 78 303.438 3.627 14.203 1.00 0.00 O flip ATOM 1239 NE2 GLN A 78 303.847 2.542 16.125 1.00 0.00 N flip ATOM 0 H GLN A 78 303.242 -1.329 12.732 1.00 0.00 H new ATOM 0 HA GLN A 78 305.115 -0.151 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 78 304.040 0.186 15.238 1.00 0.00 H new ATOM 0 HB3 GLN A 78 305.787 0.192 15.373 1.00 0.00 H new ATOM 0 HG2 GLN A 78 306.010 2.166 14.262 1.00 0.00 H new ATOM 0 HG3 GLN A 78 304.746 1.787 13.109 1.00 0.00 H new ATOM 0 HE21 GLN A 78 304.332 1.804 16.636 1.00 0.00 H new ATOM 0 HE22 GLN A 78 303.201 3.161 16.615 1.00 0.00 H new ATOM 1489 N ASN B 14 309.279 1.343 -4.903 1.00 0.00 N ATOM 1490 CA ASN B 14 308.688 2.066 -3.783 1.00 0.00 C ATOM 1491 C ASN B 14 308.633 1.224 -2.508 1.00 0.00 C ATOM 1492 O ASN B 14 307.572 0.764 -2.086 1.00 0.00 O ATOM 1493 CB ASN B 14 307.314 2.575 -4.177 1.00 0.00 C ATOM 1494 CG ASN B 14 306.800 3.642 -3.230 1.00 0.00 C ATOM 1495 OD1 ASN B 14 307.140 4.894 -3.511 1.00 0.00 O flip ATOM 1496 ND2 ASN B 14 306.107 3.344 -2.257 1.00 0.00 N flip ATOM 0 HA ASN B 14 309.329 2.916 -3.551 1.00 0.00 H new ATOM 0 HB2 ASN B 14 307.356 2.980 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN B 14 306.612 1.741 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN B 14 305.870 2.368 -2.079 1.00 0.00 H new ATOM 0 HD22 ASN B 14 305.770 4.073 -1.628 1.00 0.00 H new ATOM 1503 N ASP B 15 309.805 1.057 -1.899 1.00 0.00 N ATOM 1504 CA ASP B 15 309.971 0.308 -0.658 1.00 0.00 C ATOM 1505 C ASP B 15 311.297 0.708 -0.009 1.00 0.00 C ATOM 1506 O ASP B 15 311.949 -0.104 0.642 1.00 0.00 O ATOM 1507 CB ASP B 15 309.943 -1.203 -0.925 1.00 0.00 C ATOM 1508 CG ASP B 15 308.596 -1.820 -0.610 1.00 0.00 C ATOM 1509 OD1 ASP B 15 307.648 -1.612 -1.396 1.00 0.00 O ATOM 1510 OD2 ASP B 15 308.490 -2.515 0.422 1.00 0.00 O ATOM 0 H ASP B 15 310.677 1.444 -2.260 1.00 0.00 H new ATOM 0 HA ASP B 15 309.147 0.543 0.015 1.00 0.00 H new ATOM 0 HB2 ASP B 15 310.189 -1.389 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP B 15 310.712 -1.690 -0.325 1.00 0.00 H new ATOM 1515 N HIS B 16 311.668 1.980 -0.217 1.00 0.00 N ATOM 1516 CA HIS B 16 312.891 2.592 0.289 1.00 0.00 C ATOM 1517 C HIS B 16 314.013 1.619 0.649 1.00 0.00 C ATOM 1518 O HIS B 16 313.804 0.580 1.268 1.00 0.00 O ATOM 1519 CB HIS B 16 312.586 3.460 1.491 1.00 0.00 C ATOM 1520 CG HIS B 16 311.522 4.480 1.250 1.00 0.00 C ATOM 1521 ND1 HIS B 16 310.175 4.190 1.259 1.00 0.00 N ATOM 1522 CD2 HIS B 16 311.622 5.803 0.993 1.00 0.00 C ATOM 1523 CE1 HIS B 16 309.489 5.294 1.016 1.00 0.00 C ATOM 1524 NE2 HIS B 16 310.344 6.287 0.851 1.00 0.00 N ATOM 0 H HIS B 16 311.100 2.628 -0.762 1.00 0.00 H new ATOM 0 HA HIS B 16 313.266 3.183 -0.547 1.00 0.00 H new ATOM 0 HB2 HIS B 16 312.281 2.821 2.320 1.00 0.00 H new ATOM 0 HB3 HIS B 16 313.499 3.969 1.800 1.00 0.00 H new ATOM 0 HD2 HIS B 16 312.536 6.373 0.914 1.00 0.00 H new ATOM 0 HE1 HIS B 16 308.413 5.371 0.962 1.00 0.00 H new ATOM 0 HE2 HIS B 16 310.096 7.256 0.651 1.00 0.00 H new ATOM 1533 N ILE B 17 315.224 2.030 0.302 1.00 0.00 N ATOM 1534 CA ILE B 17 316.435 1.280 0.615 1.00 0.00 C ATOM 1535 C ILE B 17 317.512 2.242 1.040 1.00 0.00 C ATOM 1536 O ILE B 17 317.525 3.389 0.609 1.00 0.00 O ATOM 1537 CB ILE B 17 316.996 0.461 -0.573 1.00 0.00 C ATOM 1538 CG1 ILE B 17 317.674 1.390 -1.601 1.00 0.00 C ATOM 1539 CG2 ILE B 17 315.904 -0.382 -1.212 1.00 0.00 C ATOM 1540 CD1 ILE B 17 318.111 0.721 -2.887 1.00 0.00 C ATOM 0 H ILE B 17 315.397 2.897 -0.207 1.00 0.00 H new ATOM 0 HA ILE B 17 316.157 0.578 1.401 1.00 0.00 H new ATOM 0 HB ILE B 17 317.756 -0.223 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE B 17 316.984 2.198 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE B 17 318.546 1.847 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE B 17 316.322 -0.949 -2.044 1.00 0.00 H new ATOM 0 HG22 ILE B 17 315.496 -1.071 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE B 17 315.110 0.268 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE B 17 318.575 1.459 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE B 17 318.829 -0.067 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE B 17 317.243 0.289 -3.386 1.00 0.00 H new ATOM 1552 N ASN B 18 318.419 1.787 1.870 1.00 0.00 N ATOM 1553 CA ASN B 18 319.487 2.646 2.320 1.00 0.00 C ATOM 1554 C ASN B 18 320.617 2.615 1.309 1.00 0.00 C ATOM 1555 O ASN B 18 321.198 1.559 1.055 1.00 0.00 O ATOM 1556 CB ASN B 18 320.025 2.177 3.673 1.00 0.00 C ATOM 1557 CG ASN B 18 320.322 3.322 4.605 1.00 0.00 C ATOM 1558 OD1 ASN B 18 319.432 4.290 4.643 1.00 0.00 O flip ATOM 1559 ND2 ASN B 18 321.346 3.333 5.287 1.00 0.00 N flip ATOM 0 H ASN B 18 318.440 0.838 2.244 1.00 0.00 H new ATOM 0 HA ASN B 18 319.096 3.658 2.423 1.00 0.00 H new ATOM 0 HB2 ASN B 18 319.297 1.513 4.139 1.00 0.00 H new ATOM 0 HB3 ASN B 18 320.933 1.595 3.517 1.00 0.00 H new ATOM 0 HD21 ASN B 18 322.008 2.560 5.225 1.00 0.00 H new ATOM 0 HD22 ASN B 18 321.532 4.115 5.915 1.00 0.00 H new ATOM 1566 N LEU B 19 320.934 3.763 0.730 1.00 0.00 N ATOM 1567 CA LEU B 19 321.999 3.813 -0.241 1.00 0.00 C ATOM 1568 C LEU B 19 323.263 4.378 0.360 1.00 0.00 C ATOM 1569 O LEU B 19 323.303 5.509 0.820 1.00 0.00 O ATOM 1570 CB LEU B 19 321.575 4.659 -1.436 1.00 0.00 C ATOM 1571 CG LEU B 19 321.445 3.847 -2.735 1.00 0.00 C ATOM 1572 CD1 LEU B 19 321.232 4.732 -3.943 1.00 0.00 C ATOM 1573 CD2 LEU B 19 322.657 2.945 -2.948 1.00 0.00 C ATOM 0 H LEU B 19 320.474 4.654 0.916 1.00 0.00 H new ATOM 0 HA LEU B 19 322.203 2.794 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU B 19 320.620 5.135 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU B 19 322.302 5.457 -1.585 1.00 0.00 H new ATOM 0 HG LEU B 19 320.560 3.221 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU B 19 321.146 4.114 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU B 19 320.318 5.311 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU B 19 322.079 5.410 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU B 19 322.535 2.384 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU B 19 323.558 3.555 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU B 19 322.745 2.251 -2.112 1.00 0.00 H new ATOM 1585 N LYS B 20 324.296 3.568 0.357 1.00 0.00 N ATOM 1586 CA LYS B 20 325.569 3.956 0.911 1.00 0.00 C ATOM 1587 C LYS B 20 326.434 4.654 -0.117 1.00 0.00 C ATOM 1588 O LYS B 20 326.581 4.166 -1.226 1.00 0.00 O ATOM 1589 CB LYS B 20 326.305 2.711 1.362 1.00 0.00 C ATOM 1590 CG LYS B 20 326.716 2.756 2.789 1.00 0.00 C ATOM 1591 CD LYS B 20 326.902 1.380 3.416 1.00 0.00 C ATOM 1592 CE LYS B 20 326.872 0.219 2.428 1.00 0.00 C ATOM 1593 NZ LYS B 20 327.970 -0.754 2.686 1.00 0.00 N ATOM 0 H LYS B 20 324.276 2.624 -0.029 1.00 0.00 H new ATOM 0 HA LYS B 20 325.381 4.638 1.740 1.00 0.00 H new ATOM 0 HB2 LYS B 20 325.667 1.842 1.202 1.00 0.00 H new ATOM 0 HB3 LYS B 20 327.190 2.575 0.740 1.00 0.00 H new ATOM 0 HG2 LYS B 20 327.650 3.312 2.872 1.00 0.00 H new ATOM 0 HG3 LYS B 20 325.966 3.306 3.357 1.00 0.00 H new ATOM 0 HD2 LYS B 20 327.854 1.363 3.946 1.00 0.00 H new ATOM 0 HD3 LYS B 20 326.120 1.226 4.160 1.00 0.00 H new ATOM 0 HE2 LYS B 20 325.911 -0.291 2.495 1.00 0.00 H new ATOM 0 HE3 LYS B 20 326.958 0.604 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 327.917 -1.529 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 328.888 -0.273 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 327.873 -1.140 3.647 1.00 0.00 H new ATOM 1607 N VAL B 21 327.031 5.770 0.245 1.00 0.00 N ATOM 1608 CA VAL B 21 327.913 6.470 -0.673 1.00 0.00 C ATOM 1609 C VAL B 21 329.327 6.489 -0.087 1.00 0.00 C ATOM 1610 O VAL B 21 329.528 6.889 1.056 1.00 0.00 O ATOM 1611 CB VAL B 21 327.444 7.908 -0.971 1.00 0.00 C ATOM 1612 CG1 VAL B 21 327.874 8.302 -2.371 1.00 0.00 C ATOM 1613 CG2 VAL B 21 325.934 8.027 -0.835 1.00 0.00 C ATOM 0 H VAL B 21 326.925 6.211 1.159 1.00 0.00 H new ATOM 0 HA VAL B 21 327.899 5.934 -1.622 1.00 0.00 H new ATOM 0 HB VAL B 21 327.902 8.581 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL B 21 327.542 9.319 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL B 21 328.960 8.252 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL B 21 327.429 7.618 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL B 21 325.629 9.051 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL B 21 325.451 7.349 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL B 21 325.639 7.767 0.181 1.00 0.00 H new ATOM 1623 N ALA B 22 330.300 6.038 -0.864 1.00 0.00 N ATOM 1624 CA ALA B 22 331.684 5.992 -0.409 1.00 0.00 C ATOM 1625 C ALA B 22 332.469 7.152 -1.003 1.00 0.00 C ATOM 1626 O ALA B 22 332.703 7.197 -2.205 1.00 0.00 O ATOM 1627 CB ALA B 22 332.303 4.654 -0.781 1.00 0.00 C ATOM 0 H ALA B 22 330.158 5.698 -1.815 1.00 0.00 H new ATOM 0 HA ALA B 22 331.714 6.090 0.676 1.00 0.00 H new ATOM 0 HB1 ALA B 22 333.338 4.624 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA B 22 331.741 3.849 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA B 22 332.275 4.528 -1.863 1.00 0.00 H new ATOM 1633 N GLY B 23 332.849 8.105 -0.160 1.00 0.00 N ATOM 1634 CA GLY B 23 333.562 9.269 -0.652 1.00 0.00 C ATOM 1635 C GLY B 23 335.055 9.278 -0.391 1.00 0.00 C ATOM 1636 O GLY B 23 335.516 9.003 0.716 1.00 0.00 O ATOM 0 H GLY B 23 332.678 8.094 0.846 1.00 0.00 H new ATOM 0 HA2 GLY B 23 333.398 9.346 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY B 23 333.126 10.159 -0.198 1.00 0.00 H new ATOM 1640 N GLN B 24 335.799 9.646 -1.434 1.00 0.00 N ATOM 1641 CA GLN B 24 337.251 9.761 -1.373 1.00 0.00 C ATOM 1642 C GLN B 24 337.937 8.501 -0.875 1.00 0.00 C ATOM 1643 O GLN B 24 339.064 8.550 -0.385 1.00 0.00 O ATOM 1644 CB GLN B 24 337.623 10.932 -0.497 1.00 0.00 C ATOM 1645 CG GLN B 24 337.042 12.238 -0.999 1.00 0.00 C ATOM 1646 CD GLN B 24 337.753 13.454 -0.440 1.00 0.00 C ATOM 1647 OE1 GLN B 24 338.865 13.783 -0.855 1.00 0.00 O ATOM 1648 NE2 GLN B 24 337.113 14.129 0.508 1.00 0.00 N ATOM 0 H GLN B 24 335.407 9.873 -2.348 1.00 0.00 H new ATOM 0 HA GLN B 24 337.602 9.917 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN B 24 337.272 10.748 0.518 1.00 0.00 H new ATOM 0 HB3 GLN B 24 338.709 11.015 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN B 24 337.097 12.260 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN B 24 335.986 12.286 -0.732 1.00 0.00 H new ATOM 0 HE21 GLN B 24 336.193 13.820 0.821 1.00 0.00 H new ATOM 0 HE22 GLN B 24 337.542 14.956 0.923 1.00 0.00 H new ATOM 1657 N ASP B 25 337.258 7.382 -1.010 1.00 0.00 N ATOM 1658 CA ASP B 25 337.796 6.088 -0.586 1.00 0.00 C ATOM 1659 C ASP B 25 338.378 6.152 0.823 1.00 0.00 C ATOM 1660 O ASP B 25 339.386 5.511 1.120 1.00 0.00 O ATOM 1661 CB ASP B 25 338.859 5.596 -1.577 1.00 0.00 C ATOM 1662 CG ASP B 25 340.148 6.393 -1.506 1.00 0.00 C ATOM 1663 OD1 ASP B 25 341.030 6.025 -0.701 1.00 0.00 O ATOM 1664 OD2 ASP B 25 340.276 7.384 -2.255 1.00 0.00 O ATOM 0 H ASP B 25 336.322 7.333 -1.413 1.00 0.00 H new ATOM 0 HA ASP B 25 336.968 5.379 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP B 25 339.076 4.546 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP B 25 338.458 5.652 -2.589 1.00 0.00 H new ATOM 1669 N GLY B 26 337.725 6.914 1.690 1.00 0.00 N ATOM 1670 CA GLY B 26 338.172 7.036 3.059 1.00 0.00 C ATOM 1671 C GLY B 26 337.175 6.443 4.035 1.00 0.00 C ATOM 1672 O GLY B 26 337.515 6.140 5.179 1.00 0.00 O ATOM 0 H GLY B 26 336.888 7.452 1.465 1.00 0.00 H new ATOM 0 HA2 GLY B 26 339.133 6.535 3.173 1.00 0.00 H new ATOM 0 HA3 GLY B 26 338.331 8.088 3.297 1.00 0.00 H new ATOM 1676 N SER B 27 335.938 6.283 3.576 1.00 0.00 N ATOM 1677 CA SER B 27 334.871 5.730 4.394 1.00 0.00 C ATOM 1678 C SER B 27 333.603 5.600 3.569 1.00 0.00 C ATOM 1679 O SER B 27 333.661 5.467 2.347 1.00 0.00 O ATOM 1680 CB SER B 27 334.635 6.613 5.623 1.00 0.00 C ATOM 1681 OG SER B 27 334.092 5.861 6.695 1.00 0.00 O ATOM 0 H SER B 27 335.650 6.533 2.630 1.00 0.00 H new ATOM 0 HA SER B 27 335.162 4.738 4.740 1.00 0.00 H new ATOM 0 HB2 SER B 27 335.575 7.068 5.934 1.00 0.00 H new ATOM 0 HB3 SER B 27 333.957 7.427 5.365 1.00 0.00 H new ATOM 0 HG SER B 27 333.952 6.447 7.468 1.00 0.00 H new ATOM 1687 N VAL B 28 332.463 5.623 4.234 1.00 0.00 N ATOM 1688 CA VAL B 28 331.198 5.491 3.546 1.00 0.00 C ATOM 1689 C VAL B 28 330.084 6.203 4.293 1.00 0.00 C ATOM 1690 O VAL B 28 330.157 6.416 5.503 1.00 0.00 O ATOM 1691 CB VAL B 28 330.833 4.002 3.369 1.00 0.00 C ATOM 1692 CG1 VAL B 28 330.923 3.278 4.703 1.00 0.00 C ATOM 1693 CG2 VAL B 28 329.443 3.837 2.746 1.00 0.00 C ATOM 0 H VAL B 28 332.390 5.731 5.246 1.00 0.00 H new ATOM 0 HA VAL B 28 331.307 5.956 2.566 1.00 0.00 H new ATOM 0 HB VAL B 28 331.551 3.555 2.682 1.00 0.00 H new ATOM 0 HG11 VAL B 28 330.663 2.228 4.566 1.00 0.00 H new ATOM 0 HG12 VAL B 28 331.939 3.353 5.090 1.00 0.00 H new ATOM 0 HG13 VAL B 28 330.231 3.733 5.411 1.00 0.00 H new ATOM 0 HG21 VAL B 28 329.217 2.776 2.635 1.00 0.00 H new ATOM 0 HG22 VAL B 28 328.697 4.301 3.392 1.00 0.00 H new ATOM 0 HG23 VAL B 28 329.424 4.316 1.767 1.00 0.00 H new ATOM 1703 N VAL B 29 329.031 6.510 3.561 1.00 0.00 N ATOM 1704 CA VAL B 29 327.855 7.133 4.127 1.00 0.00 C ATOM 1705 C VAL B 29 326.670 6.288 3.770 1.00 0.00 C ATOM 1706 O VAL B 29 326.688 5.588 2.764 1.00 0.00 O ATOM 1707 CB VAL B 29 327.604 8.566 3.641 1.00 0.00 C ATOM 1708 CG1 VAL B 29 328.308 9.557 4.545 1.00 0.00 C ATOM 1709 CG2 VAL B 29 328.019 8.725 2.194 1.00 0.00 C ATOM 0 H VAL B 29 328.968 6.334 2.558 1.00 0.00 H new ATOM 0 HA VAL B 29 328.016 7.202 5.203 1.00 0.00 H new ATOM 0 HB VAL B 29 326.535 8.773 3.691 1.00 0.00 H new ATOM 0 HG11 VAL B 29 328.122 10.570 4.189 1.00 0.00 H new ATOM 0 HG12 VAL B 29 327.929 9.454 5.562 1.00 0.00 H new ATOM 0 HG13 VAL B 29 329.380 9.360 4.535 1.00 0.00 H new ATOM 0 HG21 VAL B 29 327.831 9.749 1.872 1.00 0.00 H new ATOM 0 HG22 VAL B 29 329.081 8.502 2.093 1.00 0.00 H new ATOM 0 HG23 VAL B 29 327.444 8.038 1.573 1.00 0.00 H new ATOM 1719 N GLN B 30 325.658 6.326 4.596 1.00 0.00 N ATOM 1720 CA GLN B 30 324.478 5.520 4.348 1.00 0.00 C ATOM 1721 C GLN B 30 323.242 6.385 4.156 1.00 0.00 C ATOM 1722 O GLN B 30 322.717 6.984 5.096 1.00 0.00 O ATOM 1723 CB GLN B 30 324.290 4.543 5.492 1.00 0.00 C ATOM 1724 CG GLN B 30 324.739 3.129 5.178 1.00 0.00 C ATOM 1725 CD GLN B 30 324.293 2.128 6.226 1.00 0.00 C ATOM 1726 OE1 GLN B 30 323.757 1.000 5.777 1.00 0.00 O flip ATOM 1727 NE2 GLN B 30 324.429 2.367 7.426 1.00 0.00 N flip ATOM 0 H GLN B 30 325.620 6.898 5.440 1.00 0.00 H new ATOM 0 HA GLN B 30 324.621 4.964 3.422 1.00 0.00 H new ATOM 0 HB2 GLN B 30 324.843 4.904 6.359 1.00 0.00 H new ATOM 0 HB3 GLN B 30 323.236 4.525 5.771 1.00 0.00 H new ATOM 0 HG2 GLN B 30 324.342 2.833 4.207 1.00 0.00 H new ATOM 0 HG3 GLN B 30 325.826 3.106 5.099 1.00 0.00 H new ATOM 0 HE21 GLN B 30 324.847 3.248 7.726 1.00 0.00 H new ATOM 0 HE22 GLN B 30 324.124 1.684 8.120 1.00 0.00 H new ATOM 1736 N PHE B 31 322.797 6.432 2.913 1.00 0.00 N ATOM 1737 CA PHE B 31 321.635 7.197 2.514 1.00 0.00 C ATOM 1738 C PHE B 31 320.427 6.300 2.475 1.00 0.00 C ATOM 1739 O PHE B 31 320.564 5.087 2.444 1.00 0.00 O ATOM 1740 CB PHE B 31 321.883 7.786 1.106 1.00 0.00 C ATOM 1741 CG PHE B 31 323.015 8.797 1.084 1.00 0.00 C ATOM 1742 CD1 PHE B 31 323.781 9.031 2.221 1.00 0.00 C ATOM 1743 CD2 PHE B 31 323.317 9.510 -0.064 1.00 0.00 C ATOM 1744 CE1 PHE B 31 324.812 9.945 2.207 1.00 0.00 C ATOM 1745 CE2 PHE B 31 324.350 10.427 -0.081 1.00 0.00 C ATOM 1746 CZ PHE B 31 325.098 10.643 1.057 1.00 0.00 C ATOM 0 H PHE B 31 323.241 5.932 2.143 1.00 0.00 H new ATOM 0 HA PHE B 31 321.461 8.001 3.229 1.00 0.00 H new ATOM 0 HB2 PHE B 31 322.111 6.976 0.413 1.00 0.00 H new ATOM 0 HB3 PHE B 31 320.969 8.262 0.750 1.00 0.00 H new ATOM 0 HD1 PHE B 31 323.564 8.488 3.129 1.00 0.00 H new ATOM 0 HD2 PHE B 31 322.736 9.347 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE B 31 325.396 10.113 3.100 1.00 0.00 H new ATOM 0 HE2 PHE B 31 324.572 10.974 -0.985 1.00 0.00 H new ATOM 0 HZ PHE B 31 325.907 11.359 1.045 1.00 0.00 H new ATOM 1756 N LYS B 32 319.254 6.889 2.403 1.00 0.00 N ATOM 1757 CA LYS B 32 318.045 6.110 2.261 1.00 0.00 C ATOM 1758 C LYS B 32 317.346 6.628 1.030 1.00 0.00 C ATOM 1759 O LYS B 32 317.184 7.833 0.841 1.00 0.00 O ATOM 1760 CB LYS B 32 317.131 6.134 3.483 1.00 0.00 C ATOM 1761 CG LYS B 32 315.832 5.359 3.259 1.00 0.00 C ATOM 1762 CD LYS B 32 315.345 4.668 4.510 1.00 0.00 C ATOM 1763 CE LYS B 32 314.780 5.655 5.502 1.00 0.00 C ATOM 1764 NZ LYS B 32 313.408 6.098 5.132 1.00 0.00 N ATOM 0 H LYS B 32 319.112 7.898 2.440 1.00 0.00 H new ATOM 0 HA LYS B 32 318.310 5.057 2.165 1.00 0.00 H new ATOM 0 HB2 LYS B 32 317.660 5.710 4.337 1.00 0.00 H new ATOM 0 HB3 LYS B 32 316.895 7.168 3.735 1.00 0.00 H new ATOM 0 HG2 LYS B 32 315.062 6.043 2.903 1.00 0.00 H new ATOM 0 HG3 LYS B 32 315.986 4.617 2.475 1.00 0.00 H new ATOM 0 HD2 LYS B 32 314.581 3.935 4.249 1.00 0.00 H new ATOM 0 HD3 LYS B 32 316.168 4.120 4.969 1.00 0.00 H new ATOM 0 HE2 LYS B 32 314.759 5.201 6.493 1.00 0.00 H new ATOM 0 HE3 LYS B 32 315.437 6.523 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 313.046 6.749 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 313.436 6.585 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 312.782 5.270 5.066 1.00 0.00 H new ATOM 1778 N ILE B 33 316.989 5.709 0.176 1.00 0.00 N ATOM 1779 CA ILE B 33 316.367 6.054 -1.072 1.00 0.00 C ATOM 1780 C ILE B 33 315.628 4.870 -1.652 1.00 0.00 C ATOM 1781 O ILE B 33 316.156 3.767 -1.703 1.00 0.00 O ATOM 1782 CB ILE B 33 317.444 6.534 -2.072 1.00 0.00 C ATOM 1783 CG1 ILE B 33 316.791 7.040 -3.365 1.00 0.00 C ATOM 1784 CG2 ILE B 33 318.420 5.409 -2.368 1.00 0.00 C ATOM 1785 CD1 ILE B 33 317.445 8.274 -3.943 1.00 0.00 C ATOM 0 H ILE B 33 317.119 4.708 0.323 1.00 0.00 H new ATOM 0 HA ILE B 33 315.649 6.854 -0.891 1.00 0.00 H new ATOM 0 HB ILE B 33 317.994 7.362 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE B 33 316.819 6.244 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE B 33 315.741 7.256 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE B 33 319.174 5.758 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE B 33 318.905 5.095 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE B 33 317.882 4.565 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE B 33 316.925 8.568 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE B 33 317.394 9.086 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE B 33 318.488 8.059 -4.173 1.00 0.00 H new ATOM 1797 N LYS B 34 314.409 5.104 -2.097 1.00 0.00 N ATOM 1798 CA LYS B 34 313.615 4.048 -2.685 1.00 0.00 C ATOM 1799 C LYS B 34 314.351 3.459 -3.876 1.00 0.00 C ATOM 1800 O LYS B 34 315.267 2.661 -3.696 1.00 0.00 O ATOM 1801 CB LYS B 34 312.247 4.594 -3.080 1.00 0.00 C ATOM 1802 CG LYS B 34 311.402 3.663 -3.931 1.00 0.00 C ATOM 1803 CD LYS B 34 310.310 4.426 -4.678 1.00 0.00 C ATOM 1804 CE LYS B 34 310.877 5.516 -5.573 1.00 0.00 C ATOM 1805 NZ LYS B 34 309.803 6.323 -6.214 1.00 0.00 N ATOM 0 H LYS B 34 313.950 6.014 -2.062 1.00 0.00 H new ATOM 0 HA LYS B 34 313.459 3.250 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS B 34 311.693 4.834 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS B 34 312.389 5.528 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS B 34 312.039 3.143 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS B 34 310.947 2.901 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS B 34 309.730 3.728 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS B 34 309.623 4.871 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS B 34 311.521 6.170 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS B 34 311.501 5.064 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 310.163 6.743 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 308.990 5.711 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 309.504 7.080 -5.567 1.00 0.00 H new ATOM 1819 N ARG B 35 313.970 3.868 -5.079 1.00 0.00 N ATOM 1820 CA ARG B 35 314.597 3.387 -6.298 1.00 0.00 C ATOM 1821 C ARG B 35 314.137 4.224 -7.477 1.00 0.00 C ATOM 1822 O ARG B 35 314.915 4.953 -8.083 1.00 0.00 O ATOM 1823 CB ARG B 35 314.222 1.936 -6.583 1.00 0.00 C ATOM 1824 CG ARG B 35 314.481 0.967 -5.450 1.00 0.00 C ATOM 1825 CD ARG B 35 315.140 -0.295 -5.947 1.00 0.00 C ATOM 1826 NE ARG B 35 314.384 -0.930 -7.023 1.00 0.00 N ATOM 1827 CZ ARG B 35 314.562 -2.191 -7.410 1.00 0.00 C ATOM 1828 NH1 ARG B 35 315.462 -2.957 -6.806 1.00 0.00 N ATOM 1829 NH2 ARG B 35 313.838 -2.689 -8.404 1.00 0.00 N ATOM 0 H ARG B 35 313.219 4.541 -5.235 1.00 0.00 H new ATOM 0 HA ARG B 35 315.676 3.462 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG B 35 313.163 1.895 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG B 35 314.775 1.600 -7.460 1.00 0.00 H new ATOM 0 HG2 ARG B 35 315.116 1.441 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG B 35 313.540 0.719 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG B 35 316.145 -0.062 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG B 35 315.248 -0.996 -5.119 1.00 0.00 H new ATOM 0 HE ARG B 35 313.678 -0.375 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG B 35 316.022 -2.580 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG B 35 315.594 -3.923 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG B 35 313.145 -2.105 -8.872 1.00 0.00 H new ATOM 0 HH22 ARG B 35 313.975 -3.655 -8.700 1.00 0.00 H new ATOM 1843 N HIS B 36 312.849 4.104 -7.793 1.00 0.00 N ATOM 1844 CA HIS B 36 312.246 4.837 -8.898 1.00 0.00 C ATOM 1845 C HIS B 36 312.616 6.318 -8.831 1.00 0.00 C ATOM 1846 O HIS B 36 312.652 7.004 -9.853 1.00 0.00 O ATOM 1847 CB HIS B 36 310.723 4.623 -8.895 1.00 0.00 C ATOM 1848 CG HIS B 36 309.981 5.465 -9.887 1.00 0.00 C ATOM 1849 ND1 HIS B 36 309.987 6.799 -10.097 1.00 0.00 N flip ATOM 1850 CD2 HIS B 36 309.105 4.938 -10.814 1.00 0.00 C flip ATOM 1851 CE1 HIS B 36 309.125 7.054 -11.135 1.00 0.00 C flip ATOM 1852 NE2 HIS B 36 308.606 5.914 -11.550 1.00 0.00 N flip ATOM 0 H HIS B 36 312.199 3.499 -7.292 1.00 0.00 H new ATOM 0 HA HIS B 36 312.638 4.454 -9.840 1.00 0.00 H new ATOM 0 HB2 HIS B 36 310.515 3.573 -9.100 1.00 0.00 H new ATOM 0 HB3 HIS B 36 310.340 4.835 -7.897 1.00 0.00 H new ATOM 0 HD1 HIS B 36 310.531 7.490 -9.580 1.00 0.00 H new ATOM 0 HD2 HIS B 36 308.865 3.890 -10.921 1.00 0.00 H new ATOM 0 HE1 HIS B 36 308.907 8.029 -11.545 1.00 0.00 H new ATOM 1861 N THR B 37 312.955 6.790 -7.635 1.00 0.00 N ATOM 1862 CA THR B 37 313.386 8.167 -7.466 1.00 0.00 C ATOM 1863 C THR B 37 314.784 8.316 -8.009 1.00 0.00 C ATOM 1864 O THR B 37 315.616 7.416 -7.919 1.00 0.00 O ATOM 1865 CB THR B 37 313.347 8.593 -5.997 1.00 0.00 C ATOM 1866 OG1 THR B 37 312.007 8.700 -5.550 1.00 0.00 O ATOM 1867 CG2 THR B 37 314.021 9.931 -5.739 1.00 0.00 C ATOM 0 H THR B 37 312.939 6.241 -6.776 1.00 0.00 H new ATOM 0 HA THR B 37 312.700 8.813 -8.014 1.00 0.00 H new ATOM 0 HB THR B 37 313.892 7.820 -5.455 1.00 0.00 H new ATOM 0 HG1 THR B 37 311.997 8.971 -4.608 1.00 0.00 H new ATOM 0 HG21 THR B 37 313.957 10.172 -4.678 1.00 0.00 H new ATOM 0 HG22 THR B 37 315.068 9.874 -6.036 1.00 0.00 H new ATOM 0 HG23 THR B 37 313.522 10.708 -6.318 1.00 0.00 H new ATOM 1875 N PRO B 38 315.036 9.472 -8.584 1.00 0.00 N ATOM 1876 CA PRO B 38 316.318 9.818 -9.181 1.00 0.00 C ATOM 1877 C PRO B 38 317.412 9.906 -8.131 1.00 0.00 C ATOM 1878 O PRO B 38 317.147 10.195 -6.964 1.00 0.00 O ATOM 1879 CB PRO B 38 316.026 11.177 -9.829 1.00 0.00 C ATOM 1880 CG PRO B 38 314.536 11.196 -9.940 1.00 0.00 C ATOM 1881 CD PRO B 38 314.076 10.561 -8.703 1.00 0.00 C ATOM 0 HA PRO B 38 316.685 9.078 -9.892 1.00 0.00 H new ATOM 0 HB2 PRO B 38 316.394 12.001 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO B 38 316.503 11.267 -10.805 1.00 0.00 H new ATOM 0 HG2 PRO B 38 314.156 12.214 -10.030 1.00 0.00 H new ATOM 0 HG3 PRO B 38 314.195 10.649 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO B 38 314.113 11.240 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO B 38 313.050 10.201 -8.780 1.00 0.00 H new ATOM 1889 N LEU B 39 318.637 9.627 -8.545 1.00 0.00 N ATOM 1890 CA LEU B 39 319.767 9.644 -7.633 1.00 0.00 C ATOM 1891 C LEU B 39 320.190 11.063 -7.269 1.00 0.00 C ATOM 1892 O LEU B 39 320.885 11.263 -6.276 1.00 0.00 O ATOM 1893 CB LEU B 39 320.931 8.860 -8.225 1.00 0.00 C ATOM 1894 CG LEU B 39 320.849 7.352 -8.003 1.00 0.00 C ATOM 1895 CD1 LEU B 39 321.838 6.626 -8.904 1.00 0.00 C ATOM 1896 CD2 LEU B 39 321.103 7.016 -6.541 1.00 0.00 C ATOM 0 H LEU B 39 318.874 9.386 -9.507 1.00 0.00 H new ATOM 0 HA LEU B 39 319.453 9.163 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU B 39 320.979 9.056 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU B 39 321.861 9.229 -7.792 1.00 0.00 H new ATOM 0 HG LEU B 39 319.844 7.017 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU B 39 321.766 5.552 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU B 39 321.607 6.843 -9.947 1.00 0.00 H new ATOM 0 HD13 LEU B 39 322.850 6.962 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU B 39 321.041 5.937 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU B 39 322.096 7.363 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU B 39 320.354 7.507 -5.919 1.00 0.00 H new ATOM 1908 N SER B 40 319.773 12.050 -8.062 1.00 0.00 N ATOM 1909 CA SER B 40 320.119 13.448 -7.786 1.00 0.00 C ATOM 1910 C SER B 40 319.918 13.773 -6.308 1.00 0.00 C ATOM 1911 O SER B 40 320.812 14.301 -5.647 1.00 0.00 O ATOM 1912 CB SER B 40 319.266 14.389 -8.647 1.00 0.00 C ATOM 1913 OG SER B 40 318.205 14.959 -7.899 1.00 0.00 O ATOM 0 H SER B 40 319.200 11.912 -8.894 1.00 0.00 H new ATOM 0 HA SER B 40 321.170 13.593 -8.035 1.00 0.00 H new ATOM 0 HB2 SER B 40 319.894 15.182 -9.052 1.00 0.00 H new ATOM 0 HB3 SER B 40 318.860 13.839 -9.496 1.00 0.00 H new ATOM 0 HG SER B 40 317.682 15.554 -8.475 1.00 0.00 H new ATOM 1919 N LYS B 41 318.740 13.430 -5.794 1.00 0.00 N ATOM 1920 CA LYS B 41 318.405 13.648 -4.410 1.00 0.00 C ATOM 1921 C LYS B 41 319.455 13.014 -3.500 1.00 0.00 C ATOM 1922 O LYS B 41 319.669 13.444 -2.367 1.00 0.00 O ATOM 1923 CB LYS B 41 317.052 13.027 -4.163 1.00 0.00 C ATOM 1924 CG LYS B 41 315.901 13.819 -4.753 1.00 0.00 C ATOM 1925 CD LYS B 41 315.637 13.422 -6.195 1.00 0.00 C ATOM 1926 CE LYS B 41 314.257 13.861 -6.647 1.00 0.00 C ATOM 1927 NZ LYS B 41 314.037 15.318 -6.430 1.00 0.00 N ATOM 0 H LYS B 41 317.996 12.992 -6.337 1.00 0.00 H new ATOM 0 HA LYS B 41 318.379 14.715 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS B 41 317.042 12.021 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS B 41 316.899 12.926 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS B 41 315.002 13.655 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS B 41 316.127 14.884 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS B 41 316.392 13.869 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS B 41 315.729 12.341 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS B 41 314.131 13.629 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS B 41 313.500 13.295 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 313.149 15.607 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 313.980 15.512 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 314.828 15.854 -6.841 1.00 0.00 H new ATOM 1941 N LEU B 42 320.094 11.977 -4.028 1.00 0.00 N ATOM 1942 CA LEU B 42 321.124 11.226 -3.325 1.00 0.00 C ATOM 1943 C LEU B 42 322.476 11.942 -3.364 1.00 0.00 C ATOM 1944 O LEU B 42 323.080 12.213 -2.326 1.00 0.00 O ATOM 1945 CB LEU B 42 321.251 9.852 -3.985 1.00 0.00 C ATOM 1946 CG LEU B 42 321.675 8.708 -3.067 1.00 0.00 C ATOM 1947 CD1 LEU B 42 320.749 7.523 -3.234 1.00 0.00 C ATOM 1948 CD2 LEU B 42 323.116 8.324 -3.359 1.00 0.00 C ATOM 0 H LEU B 42 319.908 11.630 -4.969 1.00 0.00 H new ATOM 0 HA LEU B 42 320.836 11.131 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU B 42 320.291 9.596 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU B 42 321.973 9.926 -4.798 1.00 0.00 H new ATOM 0 HG LEU B 42 321.608 9.037 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU B 42 321.066 6.717 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU B 42 319.730 7.819 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU B 42 320.782 7.178 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU B 42 323.415 7.507 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU B 42 323.204 8.005 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU B 42 323.764 9.184 -3.187 1.00 0.00 H new ATOM 1960 N MET B 43 322.955 12.206 -4.575 1.00 0.00 N ATOM 1961 CA MET B 43 324.253 12.847 -4.784 1.00 0.00 C ATOM 1962 C MET B 43 324.445 14.123 -3.956 1.00 0.00 C ATOM 1963 O MET B 43 325.567 14.454 -3.589 1.00 0.00 O ATOM 1964 CB MET B 43 324.449 13.157 -6.266 1.00 0.00 C ATOM 1965 CG MET B 43 324.204 11.956 -7.165 1.00 0.00 C ATOM 1966 SD MET B 43 325.585 11.606 -8.272 1.00 0.00 S ATOM 1967 CE MET B 43 325.109 9.984 -8.855 1.00 0.00 C ATOM 0 H MET B 43 322.458 11.984 -5.438 1.00 0.00 H new ATOM 0 HA MET B 43 325.006 12.137 -4.442 1.00 0.00 H new ATOM 0 HB2 MET B 43 323.774 13.963 -6.555 1.00 0.00 H new ATOM 0 HB3 MET B 43 325.465 13.520 -6.424 1.00 0.00 H new ATOM 0 HG2 MET B 43 324.011 11.080 -6.546 1.00 0.00 H new ATOM 0 HG3 MET B 43 323.306 12.131 -7.758 1.00 0.00 H new ATOM 0 HE1 MET B 43 325.590 9.786 -9.813 1.00 0.00 H new ATOM 0 HE2 MET B 43 325.420 9.231 -8.130 1.00 0.00 H new ATOM 0 HE3 MET B 43 324.027 9.945 -8.978 1.00 0.00 H new ATOM 1977 N LYS B 44 323.354 14.822 -3.665 1.00 0.00 N ATOM 1978 CA LYS B 44 323.435 16.060 -2.873 1.00 0.00 C ATOM 1979 C LYS B 44 323.636 15.756 -1.395 1.00 0.00 C ATOM 1980 O LYS B 44 324.456 16.393 -0.737 1.00 0.00 O ATOM 1981 CB LYS B 44 322.213 16.942 -3.071 1.00 0.00 C ATOM 1982 CG LYS B 44 322.330 18.346 -2.456 1.00 0.00 C ATOM 1983 CD LYS B 44 323.756 18.793 -2.166 1.00 0.00 C ATOM 1984 CE LYS B 44 324.235 19.823 -3.179 1.00 0.00 C ATOM 1985 NZ LYS B 44 324.177 21.209 -2.635 1.00 0.00 N ATOM 0 H LYS B 44 322.412 14.564 -3.957 1.00 0.00 H new ATOM 0 HA LYS B 44 324.304 16.610 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS B 44 322.023 17.043 -4.140 1.00 0.00 H new ATOM 0 HB3 LYS B 44 321.346 16.442 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS B 44 321.868 19.065 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS B 44 321.759 18.371 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS B 44 323.809 19.216 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS B 44 324.420 17.929 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS B 44 325.258 19.592 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS B 44 323.622 19.760 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 324.512 21.879 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 323.196 21.440 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 324.782 21.277 -1.792 1.00 0.00 H new ATOM 1999 N ALA B 45 322.883 14.790 -0.867 1.00 0.00 N ATOM 2000 CA ALA B 45 322.998 14.428 0.546 1.00 0.00 C ATOM 2001 C ALA B 45 324.453 14.443 0.980 1.00 0.00 C ATOM 2002 O ALA B 45 324.822 15.136 1.927 1.00 0.00 O ATOM 2003 CB ALA B 45 322.409 13.047 0.808 1.00 0.00 C ATOM 0 H ALA B 45 322.194 14.249 -1.390 1.00 0.00 H new ATOM 0 HA ALA B 45 322.438 15.164 1.123 1.00 0.00 H new ATOM 0 HB1 ALA B 45 322.508 12.804 1.866 1.00 0.00 H new ATOM 0 HB2 ALA B 45 321.355 13.043 0.532 1.00 0.00 H new ATOM 0 HB3 ALA B 45 322.943 12.305 0.214 1.00 0.00 H new ATOM 2009 N TYR B 46 325.271 13.665 0.286 1.00 0.00 N ATOM 2010 CA TYR B 46 326.684 13.575 0.602 1.00 0.00 C ATOM 2011 C TYR B 46 327.357 14.935 0.589 1.00 0.00 C ATOM 2012 O TYR B 46 328.329 15.163 1.303 1.00 0.00 O ATOM 2013 CB TYR B 46 327.396 12.651 -0.375 1.00 0.00 C ATOM 2014 CG TYR B 46 328.519 11.874 0.260 1.00 0.00 C ATOM 2015 CD1 TYR B 46 328.641 11.794 1.641 1.00 0.00 C ATOM 2016 CD2 TYR B 46 329.445 11.207 -0.521 1.00 0.00 C ATOM 2017 CE1 TYR B 46 329.653 11.080 2.225 1.00 0.00 C ATOM 2018 CE2 TYR B 46 330.467 10.477 0.055 1.00 0.00 C ATOM 2019 CZ TYR B 46 330.569 10.417 1.431 1.00 0.00 C ATOM 2020 OH TYR B 46 331.583 9.692 2.013 1.00 0.00 O ATOM 0 H TYR B 46 324.977 13.087 -0.501 1.00 0.00 H new ATOM 0 HA TYR B 46 326.757 13.167 1.610 1.00 0.00 H new ATOM 0 HB2 TYR B 46 326.674 11.954 -0.799 1.00 0.00 H new ATOM 0 HB3 TYR B 46 327.792 13.241 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR B 46 327.924 12.305 2.266 1.00 0.00 H new ATOM 0 HD2 TYR B 46 329.368 11.257 -1.597 1.00 0.00 H new ATOM 0 HE1 TYR B 46 329.735 11.035 3.301 1.00 0.00 H new ATOM 0 HE2 TYR B 46 331.181 9.957 -0.566 1.00 0.00 H new ATOM 0 HH TYR B 46 331.282 9.346 2.879 1.00 0.00 H new ATOM 2030 N CYS B 47 326.827 15.837 -0.214 1.00 0.00 N ATOM 2031 CA CYS B 47 327.357 17.187 -0.315 1.00 0.00 C ATOM 2032 C CYS B 47 326.981 17.944 0.930 1.00 0.00 C ATOM 2033 O CYS B 47 327.820 18.514 1.616 1.00 0.00 O ATOM 2034 CB CYS B 47 326.749 17.865 -1.526 1.00 0.00 C ATOM 2035 SG CYS B 47 326.654 16.792 -2.953 1.00 0.00 S ATOM 0 H CYS B 47 326.021 15.658 -0.813 1.00 0.00 H new ATOM 0 HA CYS B 47 328.442 17.164 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS B 47 325.748 18.216 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS B 47 327.341 18.745 -1.778 1.00 0.00 H new ATOM 0 HG CYS B 47 326.012 15.706 -2.638 1.00 0.00 H new ATOM 2041 N GLU B 48 325.698 17.914 1.230 1.00 0.00 N ATOM 2042 CA GLU B 48 325.197 18.562 2.415 1.00 0.00 C ATOM 2043 C GLU B 48 325.778 17.854 3.648 1.00 0.00 C ATOM 2044 O GLU B 48 325.760 18.384 4.758 1.00 0.00 O ATOM 2045 CB GLU B 48 323.659 18.547 2.433 1.00 0.00 C ATOM 2046 CG GLU B 48 323.001 18.703 1.055 1.00 0.00 C ATOM 2047 CD GLU B 48 321.507 18.448 1.100 1.00 0.00 C ATOM 2048 OE1 GLU B 48 321.107 17.264 1.097 1.00 0.00 O ATOM 2049 OE2 GLU B 48 320.738 19.430 1.139 1.00 0.00 O ATOM 0 H GLU B 48 324.987 17.447 0.667 1.00 0.00 H new ATOM 0 HA GLU B 48 325.508 19.607 2.424 1.00 0.00 H new ATOM 0 HB2 GLU B 48 323.323 17.610 2.877 1.00 0.00 H new ATOM 0 HB3 GLU B 48 323.309 19.350 3.081 1.00 0.00 H new ATOM 0 HG2 GLU B 48 323.185 19.709 0.679 1.00 0.00 H new ATOM 0 HG3 GLU B 48 323.465 18.010 0.353 1.00 0.00 H new ATOM 2056 N ARG B 49 326.301 16.642 3.415 1.00 0.00 N ATOM 2057 CA ARG B 49 326.906 15.812 4.439 1.00 0.00 C ATOM 2058 C ARG B 49 328.381 16.150 4.624 1.00 0.00 C ATOM 2059 O ARG B 49 328.842 16.456 5.723 1.00 0.00 O ATOM 2060 CB ARG B 49 326.809 14.367 3.974 1.00 0.00 C ATOM 2061 CG ARG B 49 325.820 13.513 4.731 1.00 0.00 C ATOM 2062 CD ARG B 49 325.241 12.438 3.830 1.00 0.00 C ATOM 2063 NE ARG B 49 323.833 12.694 3.537 1.00 0.00 N ATOM 2064 CZ ARG B 49 322.831 11.900 3.920 1.00 0.00 C ATOM 2065 NH1 ARG B 49 323.070 10.784 4.600 1.00 0.00 N ATOM 2066 NH2 ARG B 49 321.580 12.228 3.628 1.00 0.00 N ATOM 0 H ARG B 49 326.310 16.213 2.490 1.00 0.00 H new ATOM 0 HA ARG B 49 326.389 15.978 5.384 1.00 0.00 H new ATOM 0 HB2 ARG B 49 326.538 14.359 2.918 1.00 0.00 H new ATOM 0 HB3 ARG B 49 327.795 13.910 4.053 1.00 0.00 H new ATOM 0 HG2 ARG B 49 326.311 13.051 5.587 1.00 0.00 H new ATOM 0 HG3 ARG B 49 325.017 14.138 5.123 1.00 0.00 H new ATOM 0 HD2 ARG B 49 325.807 12.397 2.899 1.00 0.00 H new ATOM 0 HD3 ARG B 49 325.344 11.464 4.309 1.00 0.00 H new ATOM 0 HE ARG B 49 323.601 13.533 3.006 1.00 0.00 H new ATOM 0 HH11 ARG B 49 324.028 10.525 4.835 1.00 0.00 H new ATOM 0 HH12 ARG B 49 322.295 10.186 4.887 1.00 0.00 H new ATOM 0 HH21 ARG B 49 321.385 13.086 3.112 1.00 0.00 H new ATOM 0 HH22 ARG B 49 320.813 11.623 3.920 1.00 0.00 H new ATOM 2080 N GLN B 50 329.109 16.059 3.517 1.00 0.00 N ATOM 2081 CA GLN B 50 330.540 16.315 3.485 1.00 0.00 C ATOM 2082 C GLN B 50 330.837 17.770 3.176 1.00 0.00 C ATOM 2083 O GLN B 50 331.811 18.344 3.665 1.00 0.00 O ATOM 2084 CB GLN B 50 331.182 15.447 2.412 1.00 0.00 C ATOM 2085 CG GLN B 50 330.927 13.961 2.577 1.00 0.00 C ATOM 2086 CD GLN B 50 331.796 13.129 1.659 1.00 0.00 C ATOM 2087 OE1 GLN B 50 331.366 12.996 0.412 1.00 0.00 O flip ATOM 2088 NE2 GLN B 50 332.838 12.613 2.064 1.00 0.00 N flip ATOM 0 H GLN B 50 328.718 15.803 2.610 1.00 0.00 H new ATOM 0 HA GLN B 50 330.947 16.079 4.468 1.00 0.00 H new ATOM 0 HB2 GLN B 50 330.811 15.761 1.437 1.00 0.00 H new ATOM 0 HB3 GLN B 50 332.258 15.622 2.415 1.00 0.00 H new ATOM 0 HG2 GLN B 50 331.115 13.674 3.612 1.00 0.00 H new ATOM 0 HG3 GLN B 50 329.878 13.749 2.373 1.00 0.00 H new ATOM 0 HE21 GLN B 50 333.129 12.743 3.033 1.00 0.00 H new ATOM 0 HE22 GLN B 50 333.411 12.055 1.430 1.00 0.00 H new ATOM 2097 N GLY B 51 330.023 18.332 2.301 1.00 0.00 N ATOM 2098 CA GLY B 51 330.228 19.687 1.852 1.00 0.00 C ATOM 2099 C GLY B 51 330.781 19.652 0.449 1.00 0.00 C ATOM 2100 O GLY B 51 331.960 19.922 0.224 1.00 0.00 O ATOM 0 H GLY B 51 329.214 17.866 1.890 1.00 0.00 H new ATOM 0 HA2 GLY B 51 329.288 20.239 1.874 1.00 0.00 H new ATOM 0 HA3 GLY B 51 330.918 20.206 2.518 1.00 0.00 H new ATOM 2104 N LEU B 52 329.923 19.285 -0.495 1.00 0.00 N ATOM 2105 CA LEU B 52 330.298 19.167 -1.892 1.00 0.00 C ATOM 2106 C LEU B 52 329.332 19.999 -2.733 1.00 0.00 C ATOM 2107 O LEU B 52 328.578 20.801 -2.183 1.00 0.00 O ATOM 2108 CB LEU B 52 330.253 17.687 -2.284 1.00 0.00 C ATOM 2109 CG LEU B 52 330.924 16.765 -1.260 1.00 0.00 C ATOM 2110 CD1 LEU B 52 330.135 15.489 -1.040 1.00 0.00 C ATOM 2111 CD2 LEU B 52 332.340 16.461 -1.689 1.00 0.00 C ATOM 0 H LEU B 52 328.945 19.061 -0.309 1.00 0.00 H new ATOM 0 HA LEU B 52 331.308 19.540 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU B 52 329.214 17.383 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU B 52 330.741 17.560 -3.251 1.00 0.00 H new ATOM 0 HG LEU B 52 330.949 17.288 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU B 52 330.648 14.866 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU B 52 329.139 15.736 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU B 52 330.051 14.946 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU B 52 332.809 15.805 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU B 52 332.328 15.968 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU B 52 332.906 17.390 -1.760 1.00 0.00 H new ATOM 2123 N SER B 53 329.329 19.821 -4.049 1.00 0.00 N ATOM 2124 CA SER B 53 328.429 20.568 -4.904 1.00 0.00 C ATOM 2125 C SER B 53 327.438 19.637 -5.606 1.00 0.00 C ATOM 2126 O SER B 53 326.653 20.076 -6.446 1.00 0.00 O ATOM 2127 CB SER B 53 329.236 21.343 -5.936 1.00 0.00 C ATOM 2128 OG SER B 53 330.617 21.343 -5.615 1.00 0.00 O ATOM 0 H SER B 53 329.939 19.168 -4.541 1.00 0.00 H new ATOM 0 HA SER B 53 327.860 21.263 -4.286 1.00 0.00 H new ATOM 0 HB2 SER B 53 329.089 20.902 -6.922 1.00 0.00 H new ATOM 0 HB3 SER B 53 328.873 22.369 -5.989 1.00 0.00 H new ATOM 0 HG SER B 53 331.026 22.177 -5.929 1.00 0.00 H new ATOM 2134 N MET B 54 327.497 18.348 -5.267 1.00 0.00 N ATOM 2135 CA MET B 54 326.620 17.341 -5.869 1.00 0.00 C ATOM 2136 C MET B 54 327.067 17.064 -7.285 1.00 0.00 C ATOM 2137 O MET B 54 327.626 16.010 -7.586 1.00 0.00 O ATOM 2138 CB MET B 54 325.149 17.791 -5.829 1.00 0.00 C ATOM 2139 CG MET B 54 324.222 16.856 -6.582 1.00 0.00 C ATOM 2140 SD MET B 54 322.542 17.496 -6.722 1.00 0.00 S ATOM 2141 CE MET B 54 322.684 18.508 -8.195 1.00 0.00 C ATOM 0 H MET B 54 328.147 17.975 -4.575 1.00 0.00 H new ATOM 0 HA MET B 54 326.691 16.420 -5.290 1.00 0.00 H new ATOM 0 HB2 MET B 54 324.824 17.858 -4.791 1.00 0.00 H new ATOM 0 HB3 MET B 54 325.069 18.792 -6.253 1.00 0.00 H new ATOM 0 HG2 MET B 54 324.623 16.681 -7.580 1.00 0.00 H new ATOM 0 HG3 MET B 54 324.197 15.891 -6.075 1.00 0.00 H new ATOM 0 HE1 MET B 54 321.722 18.972 -8.412 1.00 0.00 H new ATOM 0 HE2 MET B 54 323.433 19.283 -8.033 1.00 0.00 H new ATOM 0 HE3 MET B 54 322.984 17.884 -9.037 1.00 0.00 H new ATOM 2151 N ARG B 55 326.836 18.025 -8.140 1.00 0.00 N ATOM 2152 CA ARG B 55 327.230 17.925 -9.529 1.00 0.00 C ATOM 2153 C ARG B 55 328.750 17.817 -9.638 1.00 0.00 C ATOM 2154 O ARG B 55 329.278 17.234 -10.586 1.00 0.00 O ATOM 2155 CB ARG B 55 326.743 19.168 -10.280 1.00 0.00 C ATOM 2156 CG ARG B 55 326.580 20.383 -9.373 1.00 0.00 C ATOM 2157 CD ARG B 55 326.569 21.689 -10.152 1.00 0.00 C ATOM 2158 NE ARG B 55 327.638 21.751 -11.147 1.00 0.00 N ATOM 2159 CZ ARG B 55 327.665 22.626 -12.150 1.00 0.00 C ATOM 2160 NH1 ARG B 55 326.687 23.512 -12.294 1.00 0.00 N ATOM 2161 NH2 ARG B 55 328.675 22.618 -13.010 1.00 0.00 N ATOM 0 H ARG B 55 326.370 18.900 -7.898 1.00 0.00 H new ATOM 0 HA ARG B 55 326.784 17.032 -9.968 1.00 0.00 H new ATOM 0 HB2 ARG B 55 327.450 19.406 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG B 55 325.789 18.947 -10.758 1.00 0.00 H new ATOM 0 HG2 ARG B 55 325.651 20.291 -8.810 1.00 0.00 H new ATOM 0 HG3 ARG B 55 327.393 20.403 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG B 55 325.606 21.805 -10.649 1.00 0.00 H new ATOM 0 HD3 ARG B 55 326.672 22.524 -9.459 1.00 0.00 H new ATOM 0 HE ARG B 55 328.407 21.086 -11.068 1.00 0.00 H new ATOM 0 HH11 ARG B 55 325.909 23.525 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG B 55 326.713 24.180 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG B 55 329.431 21.941 -12.903 1.00 0.00 H new ATOM 0 HH22 ARG B 55 328.696 23.288 -13.779 1.00 0.00 H new ATOM 2175 N GLN B 56 329.447 18.431 -8.681 1.00 0.00 N ATOM 2176 CA GLN B 56 330.904 18.468 -8.672 1.00 0.00 C ATOM 2177 C GLN B 56 331.554 17.135 -8.323 1.00 0.00 C ATOM 2178 O GLN B 56 332.693 16.898 -8.715 1.00 0.00 O ATOM 2179 CB GLN B 56 331.371 19.521 -7.673 1.00 0.00 C ATOM 2180 CG GLN B 56 331.616 20.884 -8.297 1.00 0.00 C ATOM 2181 CD GLN B 56 332.726 21.651 -7.605 1.00 0.00 C ATOM 2182 OE1 GLN B 56 332.373 22.763 -6.971 1.00 0.00 O flip ATOM 2183 NE2 GLN B 56 333.889 21.248 -7.639 1.00 0.00 N flip ATOM 0 H GLN B 56 329.016 18.915 -7.893 1.00 0.00 H new ATOM 0 HA GLN B 56 331.213 18.711 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN B 56 330.623 19.620 -6.886 1.00 0.00 H new ATOM 0 HB3 GLN B 56 332.290 19.177 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN B 56 331.868 20.757 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN B 56 330.697 21.468 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN B 56 334.116 20.388 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN B 56 334.625 21.774 -7.168 1.00 0.00 H new ATOM 2192 N ILE B 57 330.851 16.262 -7.605 1.00 0.00 N ATOM 2193 CA ILE B 57 331.427 14.973 -7.248 1.00 0.00 C ATOM 2194 C ILE B 57 331.198 13.957 -8.341 1.00 0.00 C ATOM 2195 O ILE B 57 330.409 14.176 -9.260 1.00 0.00 O ATOM 2196 CB ILE B 57 330.907 14.396 -5.912 1.00 0.00 C ATOM 2197 CG1 ILE B 57 329.435 14.717 -5.685 1.00 0.00 C ATOM 2198 CG2 ILE B 57 331.735 14.905 -4.749 1.00 0.00 C ATOM 2199 CD1 ILE B 57 329.121 14.951 -4.234 1.00 0.00 C ATOM 0 H ILE B 57 329.902 16.420 -7.266 1.00 0.00 H new ATOM 0 HA ILE B 57 332.492 15.167 -7.122 1.00 0.00 H new ATOM 0 HB ILE B 57 331.005 13.312 -5.973 1.00 0.00 H new ATOM 0 HG12 ILE B 57 329.165 15.603 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE B 57 328.824 13.895 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE B 57 331.351 14.486 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE B 57 332.774 14.603 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE B 57 331.676 15.993 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE B 57 328.060 15.176 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE B 57 329.364 14.057 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE B 57 329.711 15.790 -3.865 1.00 0.00 H new ATOM 2211 N ARG B 58 331.884 12.837 -8.225 1.00 0.00 N ATOM 2212 CA ARG B 58 331.757 11.764 -9.186 1.00 0.00 C ATOM 2213 C ARG B 58 331.318 10.510 -8.451 1.00 0.00 C ATOM 2214 O ARG B 58 332.030 10.027 -7.573 1.00 0.00 O ATOM 2215 CB ARG B 58 333.092 11.532 -9.886 1.00 0.00 C ATOM 2216 CG ARG B 58 334.033 12.727 -9.812 1.00 0.00 C ATOM 2217 CD ARG B 58 333.506 13.921 -10.589 1.00 0.00 C ATOM 2218 NE ARG B 58 334.147 15.172 -10.193 1.00 0.00 N ATOM 2219 CZ ARG B 58 335.412 15.477 -10.476 1.00 0.00 C ATOM 2220 NH1 ARG B 58 336.174 14.623 -11.149 1.00 0.00 N ATOM 2221 NH2 ARG B 58 335.916 16.641 -10.088 1.00 0.00 N ATOM 0 H ARG B 58 332.540 12.648 -7.467 1.00 0.00 H new ATOM 0 HA ARG B 58 331.017 12.023 -9.943 1.00 0.00 H new ATOM 0 HB2 ARG B 58 333.581 10.666 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG B 58 332.907 11.290 -10.932 1.00 0.00 H new ATOM 0 HG2 ARG B 58 334.178 13.009 -8.769 1.00 0.00 H new ATOM 0 HG3 ARG B 58 335.010 12.443 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG B 58 333.665 13.756 -11.655 1.00 0.00 H new ATOM 0 HD3 ARG B 58 332.430 14.004 -10.437 1.00 0.00 H new ATOM 0 HE ARG B 58 333.594 15.851 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG B 58 335.791 13.728 -11.452 1.00 0.00 H new ATOM 0 HH12 ARG B 58 337.142 14.862 -11.363 1.00 0.00 H new ATOM 0 HH21 ARG B 58 335.335 17.302 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG B 58 336.885 16.875 -10.305 1.00 0.00 H new ATOM 2235 N PHE B 59 330.145 9.991 -8.784 1.00 0.00 N ATOM 2236 CA PHE B 59 329.637 8.808 -8.110 1.00 0.00 C ATOM 2237 C PHE B 59 329.729 7.578 -8.989 1.00 0.00 C ATOM 2238 O PHE B 59 329.855 7.666 -10.211 1.00 0.00 O ATOM 2239 CB PHE B 59 328.172 8.975 -7.711 1.00 0.00 C ATOM 2240 CG PHE B 59 327.908 9.867 -6.533 1.00 0.00 C ATOM 2241 CD1 PHE B 59 328.759 10.908 -6.199 1.00 0.00 C ATOM 2242 CD2 PHE B 59 326.783 9.653 -5.756 1.00 0.00 C ATOM 2243 CE1 PHE B 59 328.485 11.714 -5.114 1.00 0.00 C ATOM 2244 CE2 PHE B 59 326.510 10.454 -4.670 1.00 0.00 C ATOM 2245 CZ PHE B 59 327.362 11.488 -4.348 1.00 0.00 C ATOM 0 H PHE B 59 329.534 10.366 -9.509 1.00 0.00 H new ATOM 0 HA PHE B 59 330.258 8.682 -7.223 1.00 0.00 H new ATOM 0 HB2 PHE B 59 327.625 9.367 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE B 59 327.760 7.989 -7.494 1.00 0.00 H new ATOM 0 HD1 PHE B 59 329.643 11.090 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE B 59 326.110 8.846 -6.005 1.00 0.00 H new ATOM 0 HE1 PHE B 59 329.153 12.525 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE B 59 325.630 10.272 -4.071 1.00 0.00 H new ATOM 0 HZ PHE B 59 327.150 12.119 -3.498 1.00 0.00 H new ATOM 2255 N ARG B 60 329.609 6.432 -8.346 1.00 0.00 N ATOM 2256 CA ARG B 60 329.617 5.158 -9.029 1.00 0.00 C ATOM 2257 C ARG B 60 328.780 4.170 -8.242 1.00 0.00 C ATOM 2258 O ARG B 60 328.765 4.190 -7.015 1.00 0.00 O ATOM 2259 CB ARG B 60 331.035 4.612 -9.211 1.00 0.00 C ATOM 2260 CG ARG B 60 331.207 3.830 -10.502 1.00 0.00 C ATOM 2261 CD ARG B 60 331.841 2.461 -10.280 1.00 0.00 C ATOM 2262 NE ARG B 60 331.657 1.955 -8.918 1.00 0.00 N ATOM 2263 CZ ARG B 60 332.610 1.952 -7.986 1.00 0.00 C ATOM 2264 NH1 ARG B 60 333.812 2.452 -8.245 1.00 0.00 N ATOM 2265 NH2 ARG B 60 332.355 1.453 -6.784 1.00 0.00 N ATOM 0 H ARG B 60 329.503 6.361 -7.334 1.00 0.00 H new ATOM 0 HA ARG B 60 329.197 5.303 -10.024 1.00 0.00 H new ATOM 0 HB2 ARG B 60 331.742 5.441 -9.198 1.00 0.00 H new ATOM 0 HB3 ARG B 60 331.282 3.968 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG B 60 330.234 3.703 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG B 60 331.826 4.405 -11.191 1.00 0.00 H new ATOM 0 HD2 ARG B 60 331.412 1.750 -10.986 1.00 0.00 H new ATOM 0 HD3 ARG B 60 332.907 2.522 -10.497 1.00 0.00 H new ATOM 0 HE ARG B 60 330.742 1.581 -8.667 1.00 0.00 H new ATOM 0 HH11 ARG B 60 334.014 2.844 -9.165 1.00 0.00 H new ATOM 0 HH12 ARG B 60 334.534 2.444 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG B 60 331.432 1.073 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG B 60 333.082 1.449 -6.069 1.00 0.00 H new ATOM 2279 N PHE B 61 328.110 3.297 -8.952 1.00 0.00 N ATOM 2280 CA PHE B 61 327.290 2.274 -8.345 1.00 0.00 C ATOM 2281 C PHE B 61 327.758 0.932 -8.889 1.00 0.00 C ATOM 2282 O PHE B 61 328.354 0.892 -9.958 1.00 0.00 O ATOM 2283 CB PHE B 61 325.802 2.510 -8.631 1.00 0.00 C ATOM 2284 CG PHE B 61 324.967 1.292 -8.376 1.00 0.00 C ATOM 2285 CD1 PHE B 61 324.905 0.752 -7.105 1.00 0.00 C ATOM 2286 CD2 PHE B 61 324.268 0.678 -9.401 1.00 0.00 C ATOM 2287 CE1 PHE B 61 324.159 -0.384 -6.856 1.00 0.00 C ATOM 2288 CE2 PHE B 61 323.516 -0.457 -9.159 1.00 0.00 C ATOM 2289 CZ PHE B 61 323.463 -0.990 -7.885 1.00 0.00 C ATOM 0 H PHE B 61 328.117 3.274 -9.972 1.00 0.00 H new ATOM 0 HA PHE B 61 327.397 2.296 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE B 61 325.442 3.330 -8.010 1.00 0.00 H new ATOM 0 HB3 PHE B 61 325.680 2.819 -9.669 1.00 0.00 H new ATOM 0 HD1 PHE B 61 325.446 1.223 -6.298 1.00 0.00 H new ATOM 0 HD2 PHE B 61 324.310 1.089 -10.399 1.00 0.00 H new ATOM 0 HE1 PHE B 61 324.120 -0.798 -5.859 1.00 0.00 H new ATOM 0 HE2 PHE B 61 322.971 -0.926 -9.965 1.00 0.00 H new ATOM 0 HZ PHE B 61 322.879 -1.878 -7.694 1.00 0.00 H new ATOM 2299 N ASP B 62 327.541 -0.151 -8.151 1.00 0.00 N ATOM 2300 CA ASP B 62 327.998 -1.473 -8.587 1.00 0.00 C ATOM 2301 C ASP B 62 327.771 -1.694 -10.086 1.00 0.00 C ATOM 2302 O ASP B 62 326.759 -2.259 -10.501 1.00 0.00 O ATOM 2303 CB ASP B 62 327.281 -2.565 -7.790 1.00 0.00 C ATOM 2304 CG ASP B 62 327.462 -2.402 -6.294 1.00 0.00 C ATOM 2305 OD1 ASP B 62 327.059 -1.347 -5.759 1.00 0.00 O ATOM 2306 OD2 ASP B 62 328.006 -3.328 -5.657 1.00 0.00 O ATOM 0 H ASP B 62 327.056 -0.144 -7.254 1.00 0.00 H new ATOM 0 HA ASP B 62 329.071 -1.524 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP B 62 326.218 -2.546 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP B 62 327.659 -3.541 -8.095 1.00 0.00 H new ATOM 2311 N GLY B 63 328.743 -1.249 -10.884 1.00 0.00 N ATOM 2312 CA GLY B 63 328.676 -1.401 -12.327 1.00 0.00 C ATOM 2313 C GLY B 63 328.011 -0.234 -13.040 1.00 0.00 C ATOM 2314 O GLY B 63 327.515 -0.388 -14.155 1.00 0.00 O ATOM 0 H GLY B 63 329.585 -0.781 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY B 63 329.687 -1.524 -12.717 1.00 0.00 H new ATOM 0 HA3 GLY B 63 328.131 -2.315 -12.561 1.00 0.00 H new ATOM 2318 N GLN B 64 328.005 0.934 -12.406 1.00 0.00 N ATOM 2319 CA GLN B 64 327.397 2.115 -13.012 1.00 0.00 C ATOM 2320 C GLN B 64 328.056 3.410 -12.535 1.00 0.00 C ATOM 2321 O GLN B 64 328.314 3.583 -11.352 1.00 0.00 O ATOM 2322 CB GLN B 64 325.906 2.163 -12.723 1.00 0.00 C ATOM 2323 CG GLN B 64 325.114 2.854 -13.819 1.00 0.00 C ATOM 2324 CD GLN B 64 323.941 2.029 -14.308 1.00 0.00 C ATOM 2325 OE1 GLN B 64 323.276 1.340 -13.388 1.00 0.00 O flip ATOM 2326 NE2 GLN B 64 323.634 2.010 -15.500 1.00 0.00 N flip ATOM 0 H GLN B 64 328.409 1.089 -11.482 1.00 0.00 H new ATOM 0 HA GLN B 64 327.554 2.034 -14.088 1.00 0.00 H new ATOM 0 HB2 GLN B 64 325.532 1.147 -12.597 1.00 0.00 H new ATOM 0 HB3 GLN B 64 325.740 2.683 -11.779 1.00 0.00 H new ATOM 0 HG2 GLN B 64 324.749 3.812 -13.448 1.00 0.00 H new ATOM 0 HG3 GLN B 64 325.776 3.069 -14.658 1.00 0.00 H new ATOM 0 HE21 GLN B 64 324.172 2.555 -16.174 1.00 0.00 H new ATOM 0 HE22 GLN B 64 322.841 1.450 -15.814 1.00 0.00 H new ATOM 2335 N PRO B 65 328.327 4.343 -13.466 1.00 0.00 N ATOM 2336 CA PRO B 65 328.954 5.638 -13.185 1.00 0.00 C ATOM 2337 C PRO B 65 327.926 6.702 -12.832 1.00 0.00 C ATOM 2338 O PRO B 65 328.256 7.798 -12.384 1.00 0.00 O ATOM 2339 CB PRO B 65 329.584 5.986 -14.542 1.00 0.00 C ATOM 2340 CG PRO B 65 329.307 4.828 -15.437 1.00 0.00 C ATOM 2341 CD PRO B 65 328.055 4.244 -14.892 1.00 0.00 C ATOM 0 HA PRO B 65 329.646 5.595 -12.344 1.00 0.00 H new ATOM 0 HB2 PRO B 65 329.155 6.903 -14.947 1.00 0.00 H new ATOM 0 HB3 PRO B 65 330.656 6.153 -14.442 1.00 0.00 H new ATOM 0 HG2 PRO B 65 329.182 5.145 -16.472 1.00 0.00 H new ATOM 0 HG3 PRO B 65 330.124 4.107 -15.421 1.00 0.00 H new ATOM 0 HD2 PRO B 65 327.170 4.808 -15.187 1.00 0.00 H new ATOM 0 HD3 PRO B 65 327.900 3.215 -15.216 1.00 0.00 H new ATOM 2349 N ILE B 66 326.682 6.322 -13.042 1.00 0.00 N ATOM 2350 CA ILE B 66 325.512 7.136 -12.790 1.00 0.00 C ATOM 2351 C ILE B 66 325.726 8.614 -13.147 1.00 0.00 C ATOM 2352 O ILE B 66 326.835 9.043 -13.459 1.00 0.00 O ATOM 2353 CB ILE B 66 325.037 6.936 -11.349 1.00 0.00 C ATOM 2354 CG1 ILE B 66 326.118 7.302 -10.361 1.00 0.00 C ATOM 2355 CG2 ILE B 66 324.652 5.482 -11.145 1.00 0.00 C ATOM 2356 CD1 ILE B 66 325.686 7.113 -8.925 1.00 0.00 C ATOM 0 H ILE B 66 326.450 5.399 -13.408 1.00 0.00 H new ATOM 0 HA ILE B 66 324.718 6.800 -13.457 1.00 0.00 H new ATOM 0 HB ILE B 66 324.178 7.586 -11.179 1.00 0.00 H new ATOM 0 HG12 ILE B 66 327.001 6.693 -10.553 1.00 0.00 H new ATOM 0 HG13 ILE B 66 326.408 8.341 -10.515 1.00 0.00 H new ATOM 0 HG21 ILE B 66 324.313 5.336 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE B 66 323.849 5.218 -11.834 1.00 0.00 H new ATOM 0 HG23 ILE B 66 325.517 4.846 -11.335 1.00 0.00 H new ATOM 0 HD11 ILE B 66 326.503 7.392 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE B 66 324.820 7.742 -8.720 1.00 0.00 H new ATOM 0 HD13 ILE B 66 325.423 6.068 -8.759 1.00 0.00 H new ATOM 2368 N ASN B 67 324.648 9.382 -13.129 1.00 0.00 N ATOM 2369 CA ASN B 67 324.707 10.802 -13.473 1.00 0.00 C ATOM 2370 C ASN B 67 323.639 11.554 -12.708 1.00 0.00 C ATOM 2371 O ASN B 67 322.779 12.219 -13.282 1.00 0.00 O ATOM 2372 CB ASN B 67 324.498 10.995 -14.965 1.00 0.00 C ATOM 2373 CG ASN B 67 325.501 10.225 -15.801 1.00 0.00 C ATOM 2374 OD1 ASN B 67 326.585 10.723 -16.104 1.00 0.00 O ATOM 2375 ND2 ASN B 67 325.144 9.004 -16.179 1.00 0.00 N ATOM 0 H ASN B 67 323.717 9.049 -12.880 1.00 0.00 H new ATOM 0 HA ASN B 67 325.690 11.188 -13.204 1.00 0.00 H new ATOM 0 HB2 ASN B 67 323.490 10.677 -15.231 1.00 0.00 H new ATOM 0 HB3 ASN B 67 324.571 12.056 -15.204 1.00 0.00 H new ATOM 0 HD21 ASN B 67 325.778 8.439 -16.743 1.00 0.00 H new ATOM 0 HD22 ASN B 67 324.235 8.631 -15.905 1.00 0.00 H new ATOM 2382 N GLU B 68 323.737 11.432 -11.403 1.00 0.00 N ATOM 2383 CA GLU B 68 322.821 12.068 -10.454 1.00 0.00 C ATOM 2384 C GLU B 68 321.368 12.098 -10.953 1.00 0.00 C ATOM 2385 O GLU B 68 320.538 12.813 -10.399 1.00 0.00 O ATOM 2386 CB GLU B 68 323.282 13.481 -10.104 1.00 0.00 C ATOM 2387 CG GLU B 68 324.577 13.871 -10.771 1.00 0.00 C ATOM 2388 CD GLU B 68 324.815 15.369 -10.768 1.00 0.00 C ATOM 2389 OE1 GLU B 68 324.819 15.967 -9.672 1.00 0.00 O ATOM 2390 OE2 GLU B 68 324.994 15.943 -11.862 1.00 0.00 O ATOM 0 H GLU B 68 324.466 10.879 -10.953 1.00 0.00 H new ATOM 0 HA GLU B 68 322.843 11.451 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU B 68 322.506 14.190 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU B 68 323.401 13.559 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU B 68 325.405 13.376 -10.263 1.00 0.00 H new ATOM 0 HG3 GLU B 68 324.573 13.511 -11.800 1.00 0.00 H new ATOM 2397 N THR B 69 321.063 11.324 -11.992 1.00 0.00 N ATOM 2398 CA THR B 69 319.717 11.265 -12.548 1.00 0.00 C ATOM 2399 C THR B 69 319.297 9.809 -12.740 1.00 0.00 C ATOM 2400 O THR B 69 318.147 9.516 -13.068 1.00 0.00 O ATOM 2401 CB THR B 69 319.650 12.021 -13.872 1.00 0.00 C ATOM 2402 OG1 THR B 69 320.471 11.404 -14.848 1.00 0.00 O ATOM 2403 CG2 THR B 69 320.083 13.466 -13.750 1.00 0.00 C ATOM 0 H THR B 69 321.738 10.725 -12.468 1.00 0.00 H new ATOM 0 HA THR B 69 319.028 11.741 -11.850 1.00 0.00 H new ATOM 0 HB THR B 69 318.602 11.993 -14.171 1.00 0.00 H new ATOM 0 HG1 THR B 69 321.413 11.523 -14.605 1.00 0.00 H new ATOM 0 HG21 THR B 69 320.013 13.950 -14.724 1.00 0.00 H new ATOM 0 HG22 THR B 69 319.435 13.982 -13.041 1.00 0.00 H new ATOM 0 HG23 THR B 69 321.113 13.509 -13.396 1.00 0.00 H new ATOM 2411 N ASP B 70 320.233 8.903 -12.464 1.00 0.00 N ATOM 2412 CA ASP B 70 319.962 7.491 -12.530 1.00 0.00 C ATOM 2413 C ASP B 70 319.205 7.134 -11.280 1.00 0.00 C ATOM 2414 O ASP B 70 319.565 7.580 -10.200 1.00 0.00 O ATOM 2415 CB ASP B 70 321.255 6.684 -12.605 1.00 0.00 C ATOM 2416 CG ASP B 70 321.925 6.778 -13.963 1.00 0.00 C ATOM 2417 OD1 ASP B 70 322.194 7.910 -14.415 1.00 0.00 O ATOM 2418 OD2 ASP B 70 322.182 5.719 -14.573 1.00 0.00 O ATOM 0 H ASP B 70 321.188 9.136 -12.192 1.00 0.00 H new ATOM 0 HA ASP B 70 319.386 7.258 -13.426 1.00 0.00 H new ATOM 0 HB2 ASP B 70 321.945 7.038 -11.839 1.00 0.00 H new ATOM 0 HB3 ASP B 70 321.040 5.639 -12.382 1.00 0.00 H new ATOM 2423 N THR B 71 318.166 6.345 -11.405 1.00 0.00 N ATOM 2424 CA THR B 71 317.405 5.965 -10.235 1.00 0.00 C ATOM 2425 C THR B 71 317.880 4.612 -9.770 1.00 0.00 C ATOM 2426 O THR B 71 318.131 3.731 -10.591 1.00 0.00 O ATOM 2427 CB THR B 71 315.910 5.931 -10.530 1.00 0.00 C ATOM 2428 OG1 THR B 71 315.510 4.643 -10.965 1.00 0.00 O ATOM 2429 CG2 THR B 71 315.482 6.926 -11.588 1.00 0.00 C ATOM 0 H THR B 71 317.830 5.958 -12.287 1.00 0.00 H new ATOM 0 HA THR B 71 317.563 6.707 -9.452 1.00 0.00 H new ATOM 0 HB THR B 71 315.428 6.197 -9.589 1.00 0.00 H new ATOM 0 HG1 THR B 71 314.546 4.642 -11.141 1.00 0.00 H new ATOM 0 HG21 THR B 71 314.407 6.847 -11.748 1.00 0.00 H new ATOM 0 HG22 THR B 71 315.727 7.936 -11.258 1.00 0.00 H new ATOM 0 HG23 THR B 71 316.004 6.712 -12.521 1.00 0.00 H new ATOM 2437 N PRO B 72 318.032 4.408 -8.458 1.00 0.00 N ATOM 2438 CA PRO B 72 318.504 3.135 -7.966 1.00 0.00 C ATOM 2439 C PRO B 72 317.716 1.983 -8.576 1.00 0.00 C ATOM 2440 O PRO B 72 318.248 0.892 -8.775 1.00 0.00 O ATOM 2441 CB PRO B 72 318.327 3.210 -6.452 1.00 0.00 C ATOM 2442 CG PRO B 72 318.190 4.663 -6.123 1.00 0.00 C ATOM 2443 CD PRO B 72 317.777 5.383 -7.381 1.00 0.00 C ATOM 0 HA PRO B 72 319.543 2.946 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO B 72 317.445 2.653 -6.134 1.00 0.00 H new ATOM 0 HB3 PRO B 72 319.182 2.773 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO B 72 317.448 4.809 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO B 72 319.133 5.060 -5.747 1.00 0.00 H new ATOM 0 HD2 PRO B 72 316.727 5.673 -7.347 1.00 0.00 H new ATOM 0 HD3 PRO B 72 318.355 6.296 -7.525 1.00 0.00 H new ATOM 2451 N ALA B 73 316.448 2.241 -8.888 1.00 0.00 N ATOM 2452 CA ALA B 73 315.602 1.223 -9.495 1.00 0.00 C ATOM 2453 C ALA B 73 316.140 0.843 -10.858 1.00 0.00 C ATOM 2454 O ALA B 73 316.504 -0.311 -11.084 1.00 0.00 O ATOM 2455 CB ALA B 73 314.174 1.731 -9.613 1.00 0.00 C ATOM 0 H ALA B 73 315.989 3.138 -8.731 1.00 0.00 H new ATOM 0 HA ALA B 73 315.605 0.337 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA B 73 313.551 0.961 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA B 73 313.790 1.970 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA B 73 314.157 2.627 -10.234 1.00 0.00 H new ATOM 2461 N GLN B 74 316.198 1.804 -11.775 1.00 0.00 N ATOM 2462 CA GLN B 74 316.696 1.558 -13.105 1.00 0.00 C ATOM 2463 C GLN B 74 318.083 0.931 -13.075 1.00 0.00 C ATOM 2464 O GLN B 74 318.477 0.217 -13.997 1.00 0.00 O ATOM 2465 CB GLN B 74 316.718 2.876 -13.836 1.00 0.00 C ATOM 2466 CG GLN B 74 315.384 3.252 -14.458 1.00 0.00 C ATOM 2467 CD GLN B 74 314.547 4.145 -13.563 1.00 0.00 C ATOM 2468 OE1 GLN B 74 313.872 3.543 -12.591 1.00 0.00 O flip ATOM 2469 NE2 GLN B 74 314.503 5.360 -13.748 1.00 0.00 N flip ATOM 0 H GLN B 74 315.901 2.766 -11.609 1.00 0.00 H new ATOM 0 HA GLN B 74 316.046 0.849 -13.617 1.00 0.00 H new ATOM 0 HB2 GLN B 74 317.020 3.661 -13.142 1.00 0.00 H new ATOM 0 HB3 GLN B 74 317.475 2.834 -14.619 1.00 0.00 H new ATOM 0 HG2 GLN B 74 315.561 3.760 -15.406 1.00 0.00 H new ATOM 0 HG3 GLN B 74 314.824 2.344 -14.682 1.00 0.00 H new ATOM 0 HE21 GLN B 74 315.039 5.780 -14.508 1.00 0.00 H new ATOM 0 HE22 GLN B 74 313.931 5.948 -13.142 1.00 0.00 H new ATOM 2478 N LEU B 75 318.813 1.198 -11.998 1.00 0.00 N ATOM 2479 CA LEU B 75 320.152 0.659 -11.822 1.00 0.00 C ATOM 2480 C LEU B 75 320.082 -0.663 -11.059 1.00 0.00 C ATOM 2481 O LEU B 75 321.029 -1.449 -11.050 1.00 0.00 O ATOM 2482 CB LEU B 75 321.032 1.674 -11.085 1.00 0.00 C ATOM 2483 CG LEU B 75 321.003 3.115 -11.631 1.00 0.00 C ATOM 2484 CD1 LEU B 75 322.307 3.811 -11.310 1.00 0.00 C ATOM 2485 CD2 LEU B 75 320.752 3.146 -13.131 1.00 0.00 C ATOM 0 H LEU B 75 318.495 1.789 -11.230 1.00 0.00 H new ATOM 0 HA LEU B 75 320.598 0.468 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU B 75 320.728 1.697 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU B 75 322.062 1.318 -11.110 1.00 0.00 H new ATOM 0 HG LEU B 75 320.178 3.639 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU B 75 322.281 4.829 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU B 75 322.449 3.838 -10.230 1.00 0.00 H new ATOM 0 HD13 LEU B 75 323.132 3.268 -11.771 1.00 0.00 H new ATOM 0 HD21 LEU B 75 320.739 4.180 -13.476 1.00 0.00 H new ATOM 0 HD22 LEU B 75 321.545 2.602 -13.644 1.00 0.00 H new ATOM 0 HD23 LEU B 75 319.792 2.679 -13.349 1.00 0.00 H new ATOM 2497 N GLU B 76 318.919 -0.902 -10.457 1.00 0.00 N ATOM 2498 CA GLU B 76 318.630 -2.122 -9.716 1.00 0.00 C ATOM 2499 C GLU B 76 319.355 -2.209 -8.375 1.00 0.00 C ATOM 2500 O GLU B 76 319.639 -3.301 -7.885 1.00 0.00 O ATOM 2501 CB GLU B 76 318.924 -3.345 -10.578 1.00 0.00 C ATOM 2502 CG GLU B 76 318.038 -3.409 -11.808 1.00 0.00 C ATOM 2503 CD GLU B 76 317.638 -4.826 -12.169 1.00 0.00 C ATOM 2504 OE1 GLU B 76 318.475 -5.549 -12.751 1.00 0.00 O ATOM 2505 OE2 GLU B 76 316.489 -5.213 -11.871 1.00 0.00 O ATOM 0 H GLU B 76 318.141 -0.242 -10.472 1.00 0.00 H new ATOM 0 HA GLU B 76 317.567 -2.096 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU B 76 319.969 -3.327 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU B 76 318.783 -4.248 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU B 76 317.140 -2.815 -11.635 1.00 0.00 H new ATOM 0 HG3 GLU B 76 318.561 -2.958 -12.651 1.00 0.00 H new ATOM 2512 N MET B 77 319.639 -1.051 -7.790 1.00 0.00 N ATOM 2513 CA MET B 77 320.315 -0.975 -6.491 1.00 0.00 C ATOM 2514 C MET B 77 319.615 -1.883 -5.470 1.00 0.00 C ATOM 2515 O MET B 77 318.853 -2.768 -5.855 1.00 0.00 O ATOM 2516 CB MET B 77 320.355 0.486 -6.042 1.00 0.00 C ATOM 2517 CG MET B 77 321.241 1.318 -6.947 1.00 0.00 C ATOM 2518 SD MET B 77 322.465 2.291 -6.065 1.00 0.00 S ATOM 2519 CE MET B 77 322.643 3.654 -7.210 1.00 0.00 C ATOM 0 H MET B 77 319.411 -0.143 -8.195 1.00 0.00 H new ATOM 0 HA MET B 77 321.341 -1.335 -6.575 1.00 0.00 H new ATOM 0 HB2 MET B 77 319.345 0.896 -6.042 1.00 0.00 H new ATOM 0 HB3 MET B 77 320.722 0.544 -5.017 1.00 0.00 H new ATOM 0 HG2 MET B 77 321.752 0.657 -7.648 1.00 0.00 H new ATOM 0 HG3 MET B 77 320.615 1.987 -7.538 1.00 0.00 H new ATOM 0 HE1 MET B 77 323.699 3.903 -7.318 1.00 0.00 H new ATOM 0 HE2 MET B 77 322.236 3.370 -8.180 1.00 0.00 H new ATOM 0 HE3 MET B 77 322.103 4.521 -6.830 1.00 0.00 H new ATOM 2529 N GLU B 78 319.847 -1.692 -4.174 1.00 0.00 N ATOM 2530 CA GLU B 78 319.208 -2.536 -3.171 1.00 0.00 C ATOM 2531 C GLU B 78 319.408 -1.958 -1.765 1.00 0.00 C ATOM 2532 O GLU B 78 319.788 -0.806 -1.603 1.00 0.00 O ATOM 2533 CB GLU B 78 319.770 -3.958 -3.246 1.00 0.00 C ATOM 2534 CG GLU B 78 318.798 -4.963 -3.843 1.00 0.00 C ATOM 2535 CD GLU B 78 319.461 -5.896 -4.837 1.00 0.00 C ATOM 2536 OE1 GLU B 78 319.672 -5.477 -5.995 1.00 0.00 O ATOM 2537 OE2 GLU B 78 319.769 -7.046 -4.458 1.00 0.00 O ATOM 0 H GLU B 78 320.463 -0.971 -3.798 1.00 0.00 H new ATOM 0 HA GLU B 78 318.138 -2.567 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU B 78 320.683 -3.949 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU B 78 320.047 -4.284 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU B 78 318.351 -5.551 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU B 78 317.987 -4.429 -4.337 1.00 0.00 H new ATOM 2544 N ASP B 79 319.118 -2.752 -0.752 1.00 0.00 N ATOM 2545 CA ASP B 79 319.246 -2.288 0.625 1.00 0.00 C ATOM 2546 C ASP B 79 320.698 -2.302 1.115 1.00 0.00 C ATOM 2547 O ASP B 79 321.288 -3.364 1.306 1.00 0.00 O ATOM 2548 CB ASP B 79 318.354 -3.123 1.539 1.00 0.00 C ATOM 2549 CG ASP B 79 317.280 -2.289 2.205 1.00 0.00 C ATOM 2550 OD1 ASP B 79 317.633 -1.352 2.951 1.00 0.00 O ATOM 2551 OD2 ASP B 79 316.086 -2.568 1.973 1.00 0.00 O ATOM 0 H ASP B 79 318.794 -3.714 -0.850 1.00 0.00 H new ATOM 0 HA ASP B 79 318.919 -1.249 0.655 1.00 0.00 H new ATOM 0 HB2 ASP B 79 317.887 -3.919 0.960 1.00 0.00 H new ATOM 0 HB3 ASP B 79 318.966 -3.602 2.303 1.00 0.00 H new ATOM 2556 N GLU B 80 321.252 -1.091 1.314 1.00 0.00 N ATOM 2557 CA GLU B 80 322.635 -0.889 1.789 1.00 0.00 C ATOM 2558 C GLU B 80 323.606 -0.651 0.634 1.00 0.00 C ATOM 2559 O GLU B 80 324.753 -0.276 0.853 1.00 0.00 O ATOM 2560 CB GLU B 80 323.110 -2.049 2.664 1.00 0.00 C ATOM 2561 CG GLU B 80 322.178 -2.324 3.832 1.00 0.00 C ATOM 2562 CD GLU B 80 322.829 -3.162 4.915 1.00 0.00 C ATOM 2563 OE1 GLU B 80 322.927 -4.394 4.734 1.00 0.00 O ATOM 2564 OE2 GLU B 80 323.240 -2.587 5.944 1.00 0.00 O ATOM 0 H GLU B 80 320.749 -0.219 1.149 1.00 0.00 H new ATOM 0 HA GLU B 80 322.623 0.011 2.404 1.00 0.00 H new ATOM 0 HB2 GLU B 80 323.195 -2.948 2.053 1.00 0.00 H new ATOM 0 HB3 GLU B 80 324.107 -1.827 3.045 1.00 0.00 H new ATOM 0 HG2 GLU B 80 321.849 -1.377 4.260 1.00 0.00 H new ATOM 0 HG3 GLU B 80 321.287 -2.836 3.468 1.00 0.00 H new ATOM 2571 N ASP B 81 323.136 -0.845 -0.593 1.00 0.00 N ATOM 2572 CA ASP B 81 323.938 -0.630 -1.789 1.00 0.00 C ATOM 2573 C ASP B 81 324.872 0.554 -1.624 1.00 0.00 C ATOM 2574 O ASP B 81 324.449 1.630 -1.218 1.00 0.00 O ATOM 2575 CB ASP B 81 323.009 -0.352 -2.968 1.00 0.00 C ATOM 2576 CG ASP B 81 321.733 0.339 -2.538 1.00 0.00 C ATOM 2577 OD1 ASP B 81 321.659 0.804 -1.380 1.00 0.00 O ATOM 2578 OD2 ASP B 81 320.811 0.430 -3.361 1.00 0.00 O ATOM 0 H ASP B 81 322.184 -1.157 -0.786 1.00 0.00 H new ATOM 0 HA ASP B 81 324.535 -1.525 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP B 81 323.528 0.268 -3.699 1.00 0.00 H new ATOM 0 HB3 ASP B 81 322.763 -1.291 -3.464 1.00 0.00 H new ATOM 2583 N THR B 82 326.136 0.362 -1.946 1.00 0.00 N ATOM 2584 CA THR B 82 327.094 1.450 -1.834 1.00 0.00 C ATOM 2585 C THR B 82 327.377 2.087 -3.186 1.00 0.00 C ATOM 2586 O THR B 82 327.580 1.401 -4.187 1.00 0.00 O ATOM 2587 CB THR B 82 328.427 1.005 -1.249 1.00 0.00 C ATOM 2588 OG1 THR B 82 328.244 0.178 -0.116 1.00 0.00 O ATOM 2589 CG2 THR B 82 329.280 2.193 -0.842 1.00 0.00 C ATOM 0 H THR B 82 326.522 -0.521 -2.282 1.00 0.00 H new ATOM 0 HA THR B 82 326.628 2.170 -1.161 1.00 0.00 H new ATOM 0 HB THR B 82 328.935 0.443 -2.033 1.00 0.00 H new ATOM 0 HG1 THR B 82 329.118 -0.093 0.236 1.00 0.00 H new ATOM 0 HG21 THR B 82 330.224 1.838 -0.429 1.00 0.00 H new ATOM 0 HG22 THR B 82 329.477 2.815 -1.715 1.00 0.00 H new ATOM 0 HG23 THR B 82 328.752 2.779 -0.090 1.00 0.00 H new ATOM 2597 N ILE B 83 327.455 3.401 -3.176 1.00 0.00 N ATOM 2598 CA ILE B 83 327.789 4.182 -4.344 1.00 0.00 C ATOM 2599 C ILE B 83 329.132 4.819 -4.033 1.00 0.00 C ATOM 2600 O ILE B 83 329.376 5.156 -2.883 1.00 0.00 O ATOM 2601 CB ILE B 83 326.725 5.256 -4.612 1.00 0.00 C ATOM 2602 CG1 ILE B 83 325.404 4.572 -4.939 1.00 0.00 C ATOM 2603 CG2 ILE B 83 327.146 6.185 -5.760 1.00 0.00 C ATOM 2604 CD1 ILE B 83 324.304 5.543 -5.256 1.00 0.00 C ATOM 0 H ILE B 83 327.285 3.963 -2.342 1.00 0.00 H new ATOM 0 HA ILE B 83 327.832 3.564 -5.241 1.00 0.00 H new ATOM 0 HB ILE B 83 326.612 5.872 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE B 83 325.547 3.904 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE B 83 325.103 3.953 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE B 83 326.371 6.934 -5.925 1.00 0.00 H new ATOM 0 HG22 ILE B 83 328.082 6.681 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE B 83 327.284 5.600 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE B 83 323.389 4.995 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE B 83 324.136 6.195 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE B 83 324.588 6.145 -6.119 1.00 0.00 H new ATOM 2616 N ASP B 84 330.029 4.942 -4.993 1.00 0.00 N ATOM 2617 CA ASP B 84 331.339 5.495 -4.675 1.00 0.00 C ATOM 2618 C ASP B 84 331.550 6.912 -5.208 1.00 0.00 C ATOM 2619 O ASP B 84 331.497 7.155 -6.412 1.00 0.00 O ATOM 2620 CB ASP B 84 332.428 4.571 -5.199 1.00 0.00 C ATOM 2621 CG ASP B 84 333.287 3.995 -4.090 1.00 0.00 C ATOM 2622 OD1 ASP B 84 334.049 4.765 -3.469 1.00 0.00 O ATOM 2623 OD2 ASP B 84 333.198 2.773 -3.843 1.00 0.00 O ATOM 0 H ASP B 84 329.887 4.678 -5.968 1.00 0.00 H new ATOM 0 HA ASP B 84 331.393 5.566 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP B 84 331.969 3.756 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP B 84 333.061 5.120 -5.896 1.00 0.00 H new ATOM 2628 N VAL B 85 331.830 7.830 -4.283 1.00 0.00 N ATOM 2629 CA VAL B 85 332.101 9.230 -4.600 1.00 0.00 C ATOM 2630 C VAL B 85 333.602 9.456 -4.675 1.00 0.00 C ATOM 2631 O VAL B 85 334.308 9.299 -3.679 1.00 0.00 O ATOM 2632 CB VAL B 85 331.530 10.181 -3.517 1.00 0.00 C ATOM 2633 CG1 VAL B 85 331.948 11.635 -3.749 1.00 0.00 C ATOM 2634 CG2 VAL B 85 330.029 10.074 -3.449 1.00 0.00 C ATOM 0 H VAL B 85 331.875 7.620 -3.286 1.00 0.00 H new ATOM 0 HA VAL B 85 331.623 9.446 -5.555 1.00 0.00 H new ATOM 0 HB VAL B 85 331.951 9.866 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL B 85 331.525 12.265 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL B 85 333.035 11.709 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL B 85 331.582 11.968 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL B 85 329.650 10.750 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL B 85 329.601 10.344 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL B 85 329.748 9.050 -3.201 1.00 0.00 H new ATOM 2644 N PHE B 86 334.087 9.867 -5.831 1.00 0.00 N ATOM 2645 CA PHE B 86 335.502 10.159 -5.977 1.00 0.00 C ATOM 2646 C PHE B 86 335.651 11.493 -6.669 1.00 0.00 C ATOM 2647 O PHE B 86 335.423 11.611 -7.869 1.00 0.00 O ATOM 2648 CB PHE B 86 336.206 9.074 -6.789 1.00 0.00 C ATOM 2649 CG PHE B 86 336.256 7.735 -6.107 1.00 0.00 C ATOM 2650 CD1 PHE B 86 336.463 7.643 -4.740 1.00 0.00 C ATOM 2651 CD2 PHE B 86 336.098 6.568 -6.838 1.00 0.00 C ATOM 2652 CE1 PHE B 86 336.510 6.411 -4.114 1.00 0.00 C ATOM 2653 CE2 PHE B 86 336.145 5.334 -6.217 1.00 0.00 C ATOM 2654 CZ PHE B 86 336.351 5.256 -4.854 1.00 0.00 C ATOM 0 H PHE B 86 333.530 10.005 -6.674 1.00 0.00 H new ATOM 0 HA PHE B 86 335.962 10.190 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE B 86 335.697 8.964 -7.747 1.00 0.00 H new ATOM 0 HB3 PHE B 86 337.224 9.399 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE B 86 336.589 8.543 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE B 86 335.936 6.623 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE B 86 336.671 6.352 -3.048 1.00 0.00 H new ATOM 0 HE2 PHE B 86 336.021 4.432 -6.797 1.00 0.00 H new ATOM 0 HZ PHE B 86 336.388 4.293 -4.367 1.00 0.00 H new ATOM 2664 N GLN B 87 336.022 12.493 -5.899 1.00 0.00 N ATOM 2665 CA GLN B 87 336.183 13.833 -6.424 1.00 0.00 C ATOM 2666 C GLN B 87 337.311 14.565 -5.704 1.00 0.00 C ATOM 2667 O GLN B 87 337.224 14.827 -4.504 1.00 0.00 O ATOM 2668 CB GLN B 87 334.848 14.575 -6.304 1.00 0.00 C ATOM 2669 CG GLN B 87 334.649 15.659 -7.344 1.00 0.00 C ATOM 2670 CD GLN B 87 334.513 17.044 -6.727 1.00 0.00 C ATOM 2671 OE1 GLN B 87 333.410 17.286 -6.005 1.00 0.00 O flip ATOM 2672 NE2 GLN B 87 335.389 17.892 -6.893 1.00 0.00 N flip ATOM 0 H GLN B 87 336.219 12.403 -4.902 1.00 0.00 H new ATOM 0 HA GLN B 87 336.463 13.788 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN B 87 334.035 13.854 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN B 87 334.780 15.021 -5.312 1.00 0.00 H new ATOM 0 HG2 GLN B 87 335.492 15.654 -8.035 1.00 0.00 H new ATOM 0 HG3 GLN B 87 333.757 15.437 -7.929 1.00 0.00 H new ATOM 0 HE21 GLN B 87 336.215 17.670 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN B 87 335.290 18.817 -6.474 1.00 0.00 H new ATOM 2681 N GLN B 88 338.372 14.885 -6.436 1.00 0.00 N ATOM 2682 CA GLN B 88 339.518 15.576 -5.856 1.00 0.00 C ATOM 2683 C GLN B 88 339.158 17.001 -5.452 1.00 0.00 C ATOM 2684 O GLN B 88 338.158 17.555 -5.908 1.00 0.00 O ATOM 2685 CB GLN B 88 340.682 15.592 -6.844 1.00 0.00 C ATOM 2686 CG GLN B 88 341.343 14.235 -7.024 1.00 0.00 C ATOM 2687 CD GLN B 88 342.107 13.792 -5.792 1.00 0.00 C ATOM 2688 OE1 GLN B 88 341.610 13.000 -4.990 1.00 0.00 O ATOM 2689 NE2 GLN B 88 343.323 14.301 -5.634 1.00 0.00 N ATOM 0 H GLN B 88 338.463 14.678 -7.431 1.00 0.00 H new ATOM 0 HA GLN B 88 339.817 15.033 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN B 88 340.323 15.943 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN B 88 341.429 16.309 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN B 88 340.581 13.492 -7.261 1.00 0.00 H new ATOM 0 HG3 GLN B 88 342.024 14.276 -7.874 1.00 0.00 H new ATOM 0 HE21 GLN B 88 343.696 14.954 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN B 88 343.884 14.039 -4.824 1.00 0.00 H new