USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 936 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -9.11! C(o=-41!,f=-50!) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -15.8! C(o=-42!,f=-41!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -14! C(o=-42!,f=-41!) USER MOD Set 1.4: A 109 TYR OH : rot -179:sc= -1.63! USER MOD Set 2.1: A 13 LYS NZ :NH3+ -142:sc= 0.041 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0.0914 USER MOD Set 3.1: A 44 CYS SG : rot -140:sc= -4.64! USER MOD Set 3.2: A 69 SER OG : rot -139:sc= -2.93! USER MOD Single : A 1 VAL N :NH3+ 163:sc= -0.395 (180deg=-1.64) USER MOD Single : A 4 SER OG : rot 133:sc= -0.484 USER MOD Single : A 5 LYS NZ :NH3+ -142:sc= -0.407 (180deg=-1.91!) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00908) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.78! USER MOD Single : A 15 THR OG1 : rot 180:sc= -3.89! USER MOD Single : A 19 GLN :FLIP amide:sc= -0.764 F(o=-1.6,f=-0.76) USER MOD Single : A 25 ASN : amide:sc= -6.34! C(o=-6.3!,f=-11!) USER MOD Single : A 26 MET CE :methyl 169:sc= -13.8! (180deg=-14!) USER MOD Single : A 28 MET CE :methyl 160:sc= -10.3! (180deg=-12!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -168:sc= -1.45! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -9.11! C(o=-9.1!,f=-22!) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 TYR OH : rot -40:sc= -1.3 USER MOD Single : A 49 SER OG : rot -19:sc= 0.723 USER MOD Single : A 50 THR OG1 : rot -96:sc= 0.578 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0869 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -160:sc= -0.397 USER MOD Single : A 63 TYR OH : rot 160:sc= -3.87! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -6.81! C(o=-8.6!,f=-6.8!) USER MOD Single : A 70 SER OG : rot 84:sc= 0.763 USER MOD Single : A 71 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.05! C(o=-3!,f=-3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -3.63! USER MOD Single : A 82 THR OG1 : rot 82:sc= 0.373 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -123:sc= -2.94 (180deg=-4.89!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.244 F(o=-1.3,f=-0.24) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.272 F(o=-1.7,f=-0.27) USER MOD Single : A 103 SER OG : rot 154:sc= -0.696 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot 5:sc= -1.68! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.000 -17.381 -27.315 1.00 0.00 N ATOM 2 CA VAL A 1 13.485 -17.337 -27.196 1.00 0.00 C ATOM 3 C VAL A 1 13.993 -15.966 -27.644 1.00 0.00 C ATOM 4 O VAL A 1 13.377 -15.299 -28.452 1.00 0.00 O ATOM 5 CB VAL A 1 14.100 -18.421 -28.084 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.116 -19.753 -27.332 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.264 -18.566 -29.358 1.00 0.00 C ATOM 0 H1 VAL A 1 11.679 -18.370 -27.293 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.573 -16.861 -26.522 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.711 -16.943 -28.213 1.00 0.00 H new ATOM 0 HA VAL A 1 13.771 -17.510 -26.158 1.00 0.00 H new ATOM 0 HB VAL A 1 15.121 -18.141 -28.345 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.554 -20.524 -27.966 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.709 -19.651 -26.423 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.096 -20.035 -27.070 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.699 -19.338 -29.993 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.244 -18.846 -29.094 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.252 -17.618 -29.895 1.00 0.00 H new ATOM 19 N GLU A 2 15.114 -15.540 -27.126 1.00 0.00 N ATOM 20 CA GLU A 2 15.663 -14.214 -27.523 1.00 0.00 C ATOM 21 C GLU A 2 14.532 -13.183 -27.562 1.00 0.00 C ATOM 22 O GLU A 2 14.264 -12.580 -28.582 1.00 0.00 O ATOM 23 CB GLU A 2 16.306 -14.322 -28.907 1.00 0.00 C ATOM 24 CG GLU A 2 17.539 -15.224 -28.827 1.00 0.00 C ATOM 25 CD GLU A 2 18.790 -14.413 -29.172 1.00 0.00 C ATOM 26 OE1 GLU A 2 19.210 -13.627 -28.339 1.00 0.00 O ATOM 27 OE2 GLU A 2 19.306 -14.591 -30.263 1.00 0.00 O ATOM 0 H GLU A 2 15.672 -16.054 -26.445 1.00 0.00 H new ATOM 0 HA GLU A 2 16.414 -13.900 -26.798 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.590 -14.729 -29.622 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.589 -13.333 -29.267 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.630 -15.644 -27.826 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.435 -16.062 -29.516 1.00 0.00 H new ATOM 34 N LEU A 3 13.864 -12.979 -26.459 1.00 0.00 N ATOM 35 CA LEU A 3 12.751 -11.990 -26.433 1.00 0.00 C ATOM 36 C LEU A 3 13.302 -10.586 -26.697 1.00 0.00 C ATOM 37 O LEU A 3 12.564 -9.662 -26.966 1.00 0.00 O ATOM 38 CB LEU A 3 12.034 -12.057 -25.067 1.00 0.00 C ATOM 39 CG LEU A 3 12.613 -11.047 -24.054 1.00 0.00 C ATOM 40 CD1 LEU A 3 14.143 -11.065 -24.082 1.00 0.00 C ATOM 41 CD2 LEU A 3 12.108 -9.639 -24.382 1.00 0.00 C ATOM 0 H LEU A 3 14.042 -13.455 -25.575 1.00 0.00 H new ATOM 0 HA LEU A 3 12.028 -12.225 -27.214 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.971 -11.860 -25.207 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.121 -13.065 -24.662 1.00 0.00 H new ATOM 0 HG LEU A 3 12.282 -11.331 -23.055 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.529 -10.345 -23.360 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.500 -12.063 -23.826 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.492 -10.800 -25.080 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.519 -8.929 -23.665 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.426 -9.364 -25.388 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.020 -9.621 -24.328 1.00 0.00 H new ATOM 53 N SER A 4 14.593 -10.418 -26.619 1.00 0.00 N ATOM 54 CA SER A 4 15.184 -9.071 -26.857 1.00 0.00 C ATOM 55 C SER A 4 15.242 -8.789 -28.359 1.00 0.00 C ATOM 56 O SER A 4 15.044 -9.669 -29.171 1.00 0.00 O ATOM 57 CB SER A 4 16.599 -9.027 -26.276 1.00 0.00 C ATOM 58 OG SER A 4 17.426 -8.232 -27.114 1.00 0.00 O ATOM 0 H SER A 4 15.264 -11.155 -26.401 1.00 0.00 H new ATOM 0 HA SER A 4 14.565 -8.316 -26.373 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.578 -8.613 -25.268 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.004 -10.036 -26.198 1.00 0.00 H new ATOM 0 HG SER A 4 17.944 -7.607 -26.565 1.00 0.00 H new ATOM 64 N LYS A 5 15.515 -7.563 -28.725 1.00 0.00 N ATOM 65 CA LYS A 5 15.595 -7.203 -30.173 1.00 0.00 C ATOM 66 C LYS A 5 14.188 -6.972 -30.731 1.00 0.00 C ATOM 67 O LYS A 5 13.817 -5.862 -31.061 1.00 0.00 O ATOM 68 CB LYS A 5 16.276 -8.333 -30.950 1.00 0.00 C ATOM 69 CG LYS A 5 16.877 -7.774 -32.242 1.00 0.00 C ATOM 70 CD LYS A 5 17.574 -8.900 -33.008 1.00 0.00 C ATOM 71 CE LYS A 5 19.090 -8.756 -32.865 1.00 0.00 C ATOM 72 NZ LYS A 5 19.503 -7.394 -33.308 1.00 0.00 N ATOM 0 H LYS A 5 15.687 -6.792 -28.080 1.00 0.00 H new ATOM 0 HA LYS A 5 16.178 -6.288 -30.280 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.057 -8.789 -30.341 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.554 -9.116 -31.181 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.094 -7.331 -32.858 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.589 -6.981 -32.012 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.253 -9.868 -32.624 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.293 -8.866 -34.061 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.385 -8.918 -31.828 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.596 -9.514 -33.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.408 -7.454 -33.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.777 -6.999 -33.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.613 -6.777 -32.478 1.00 0.00 H new ATOM 86 N LYS A 6 13.404 -8.008 -30.852 1.00 0.00 N ATOM 87 CA LYS A 6 12.028 -7.841 -31.399 1.00 0.00 C ATOM 88 C LYS A 6 11.069 -7.408 -30.288 1.00 0.00 C ATOM 89 O LYS A 6 9.866 -7.427 -30.455 1.00 0.00 O ATOM 90 CB LYS A 6 11.554 -9.169 -31.993 1.00 0.00 C ATOM 91 CG LYS A 6 12.392 -9.506 -33.228 1.00 0.00 C ATOM 92 CD LYS A 6 12.368 -11.017 -33.465 1.00 0.00 C ATOM 93 CE LYS A 6 12.772 -11.314 -34.911 1.00 0.00 C ATOM 94 NZ LYS A 6 11.596 -11.124 -35.807 1.00 0.00 N ATOM 0 H LYS A 6 13.657 -8.962 -30.596 1.00 0.00 H new ATOM 0 HA LYS A 6 12.042 -7.075 -32.174 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.644 -9.963 -31.252 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.500 -9.103 -32.263 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.999 -8.984 -34.101 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.418 -9.165 -33.088 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.051 -11.515 -32.776 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.371 -11.411 -33.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.584 -10.654 -35.215 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.143 -12.335 -34.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.843 -11.423 -36.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.799 -11.696 -35.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.324 -10.120 -35.815 1.00 0.00 H new ATOM 108 N VAL A 7 11.585 -7.013 -29.155 1.00 0.00 N ATOM 109 CA VAL A 7 10.688 -6.579 -28.045 1.00 0.00 C ATOM 110 C VAL A 7 11.352 -5.446 -27.258 1.00 0.00 C ATOM 111 O VAL A 7 11.013 -4.289 -27.416 1.00 0.00 O ATOM 112 CB VAL A 7 10.418 -7.757 -27.106 1.00 0.00 C ATOM 113 CG1 VAL A 7 9.387 -7.345 -26.055 1.00 0.00 C ATOM 114 CG2 VAL A 7 9.879 -8.944 -27.910 1.00 0.00 C ATOM 0 H VAL A 7 12.583 -6.972 -28.951 1.00 0.00 H new ATOM 0 HA VAL A 7 9.746 -6.227 -28.466 1.00 0.00 H new ATOM 0 HB VAL A 7 11.346 -8.046 -26.613 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.194 -8.184 -25.386 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.771 -6.503 -25.480 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.460 -7.055 -26.549 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.688 -9.781 -27.239 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.952 -8.657 -28.405 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.614 -9.240 -28.659 1.00 0.00 H new ATOM 124 N THR A 8 12.296 -5.772 -26.412 1.00 0.00 N ATOM 125 CA THR A 8 12.987 -4.726 -25.604 1.00 0.00 C ATOM 126 C THR A 8 13.239 -3.484 -26.463 1.00 0.00 C ATOM 127 O THR A 8 13.309 -2.378 -25.964 1.00 0.00 O ATOM 128 CB THR A 8 14.327 -5.275 -25.106 1.00 0.00 C ATOM 129 OG1 THR A 8 15.148 -5.592 -26.220 1.00 0.00 O ATOM 130 CG2 THR A 8 14.090 -6.533 -24.268 1.00 0.00 C ATOM 0 H THR A 8 12.619 -6.725 -26.246 1.00 0.00 H new ATOM 0 HA THR A 8 12.358 -4.455 -24.756 1.00 0.00 H new ATOM 0 HB THR A 8 14.821 -4.523 -24.491 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.007 -5.942 -25.904 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.046 -6.921 -23.915 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.460 -6.287 -23.413 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.595 -7.289 -24.878 1.00 0.00 H new ATOM 138 N GLY A 9 13.379 -3.657 -27.749 1.00 0.00 N ATOM 139 CA GLY A 9 13.628 -2.489 -28.640 1.00 0.00 C ATOM 140 C GLY A 9 12.738 -1.316 -28.223 1.00 0.00 C ATOM 141 O GLY A 9 13.218 -0.252 -27.885 1.00 0.00 O ATOM 0 H GLY A 9 13.331 -4.559 -28.222 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.677 -2.197 -28.587 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.424 -2.761 -29.676 1.00 0.00 H new ATOM 145 N LYS A 10 11.444 -1.497 -28.248 1.00 0.00 N ATOM 146 CA LYS A 10 10.535 -0.380 -27.858 1.00 0.00 C ATOM 147 C LYS A 10 9.467 -0.883 -26.879 1.00 0.00 C ATOM 148 O LYS A 10 8.968 -0.135 -26.062 1.00 0.00 O ATOM 149 CB LYS A 10 9.847 0.181 -29.105 1.00 0.00 C ATOM 150 CG LYS A 10 10.774 0.042 -30.314 1.00 0.00 C ATOM 151 CD LYS A 10 9.997 0.363 -31.592 1.00 0.00 C ATOM 152 CE LYS A 10 8.721 -0.479 -31.639 1.00 0.00 C ATOM 153 NZ LYS A 10 8.377 -0.782 -33.057 1.00 0.00 N ATOM 0 H LYS A 10 10.980 -2.364 -28.520 1.00 0.00 H new ATOM 0 HA LYS A 10 11.125 0.400 -27.377 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.914 -0.352 -29.287 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.591 1.229 -28.950 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.624 0.717 -30.213 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.175 -0.970 -30.364 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.747 1.423 -31.621 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.614 0.157 -32.467 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.863 -1.405 -31.082 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.901 0.057 -31.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.509 -1.355 -33.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.225 0.107 -33.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.157 -1.310 -33.498 1.00 0.00 H new ATOM 167 N LEU A 11 9.099 -2.134 -26.962 1.00 0.00 N ATOM 168 CA LEU A 11 8.051 -2.663 -26.040 1.00 0.00 C ATOM 169 C LEU A 11 6.716 -1.970 -26.344 1.00 0.00 C ATOM 170 O LEU A 11 5.751 -2.112 -25.622 1.00 0.00 O ATOM 171 CB LEU A 11 8.466 -2.398 -24.588 1.00 0.00 C ATOM 172 CG LEU A 11 9.146 -3.645 -24.005 1.00 0.00 C ATOM 173 CD1 LEU A 11 10.097 -4.255 -25.035 1.00 0.00 C ATOM 174 CD2 LEU A 11 9.940 -3.254 -22.757 1.00 0.00 C ATOM 0 H LEU A 11 9.477 -2.810 -27.625 1.00 0.00 H new ATOM 0 HA LEU A 11 7.938 -3.738 -26.184 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.146 -1.548 -24.544 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.591 -2.137 -23.992 1.00 0.00 H new ATOM 0 HG LEU A 11 8.382 -4.377 -23.745 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.574 -5.139 -24.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.536 -4.537 -25.926 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.860 -3.524 -25.303 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.424 -4.138 -22.342 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.698 -2.518 -23.024 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.265 -2.827 -22.015 1.00 0.00 H new ATOM 186 N ASP A 12 6.656 -1.231 -27.424 1.00 0.00 N ATOM 187 CA ASP A 12 5.390 -0.538 -27.802 1.00 0.00 C ATOM 188 C ASP A 12 4.986 0.482 -26.733 1.00 0.00 C ATOM 189 O ASP A 12 4.895 0.171 -25.562 1.00 0.00 O ATOM 190 CB ASP A 12 4.273 -1.572 -27.958 1.00 0.00 C ATOM 191 CG ASP A 12 4.830 -2.828 -28.632 1.00 0.00 C ATOM 192 OD1 ASP A 12 5.362 -2.703 -29.723 1.00 0.00 O ATOM 193 OD2 ASP A 12 4.714 -3.892 -28.046 1.00 0.00 O ATOM 0 H ASP A 12 7.436 -1.078 -28.063 1.00 0.00 H new ATOM 0 HA ASP A 12 5.551 -0.012 -28.743 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.857 -1.824 -26.982 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.460 -1.157 -28.553 1.00 0.00 H new ATOM 198 N LYS A 13 4.720 1.697 -27.139 1.00 0.00 N ATOM 199 CA LYS A 13 4.293 2.743 -26.164 1.00 0.00 C ATOM 200 C LYS A 13 2.765 2.814 -26.180 1.00 0.00 C ATOM 201 O LYS A 13 2.127 2.224 -27.030 1.00 0.00 O ATOM 202 CB LYS A 13 4.875 4.097 -26.573 1.00 0.00 C ATOM 203 CG LYS A 13 6.358 3.935 -26.918 1.00 0.00 C ATOM 204 CD LYS A 13 7.205 4.227 -25.679 1.00 0.00 C ATOM 205 CE LYS A 13 8.384 3.254 -25.625 1.00 0.00 C ATOM 206 NZ LYS A 13 9.596 3.970 -25.139 1.00 0.00 N ATOM 0 H LYS A 13 4.781 2.010 -28.108 1.00 0.00 H new ATOM 0 HA LYS A 13 4.650 2.495 -25.164 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.333 4.493 -27.432 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.756 4.815 -25.762 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.551 2.923 -27.273 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.631 4.614 -27.726 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.569 5.254 -25.708 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.598 4.129 -24.779 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.151 2.420 -24.963 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.569 2.834 -26.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.432 3.627 -25.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.484 4.991 -25.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.720 3.792 -24.122 1.00 0.00 H new ATOM 220 N THR A 14 2.157 3.505 -25.252 1.00 0.00 N ATOM 221 CA THR A 14 0.670 3.554 -25.254 1.00 0.00 C ATOM 222 C THR A 14 0.140 4.278 -24.021 1.00 0.00 C ATOM 223 O THR A 14 -0.188 5.446 -24.046 1.00 0.00 O ATOM 224 CB THR A 14 0.140 2.116 -25.263 1.00 0.00 C ATOM 225 OG1 THR A 14 -1.112 2.070 -24.593 1.00 0.00 O ATOM 226 CG2 THR A 14 1.142 1.204 -24.548 1.00 0.00 C ATOM 0 H THR A 14 2.617 4.028 -24.507 1.00 0.00 H new ATOM 0 HA THR A 14 0.334 4.099 -26.136 1.00 0.00 H new ATOM 0 HB THR A 14 0.011 1.778 -26.291 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.453 1.151 -24.600 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.769 0.180 -24.552 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.102 1.243 -25.064 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.269 1.540 -23.519 1.00 0.00 H new ATOM 234 N THR A 15 0.034 3.559 -22.962 1.00 0.00 N ATOM 235 CA THR A 15 -0.502 4.116 -21.690 1.00 0.00 C ATOM 236 C THR A 15 -0.079 3.175 -20.542 1.00 0.00 C ATOM 237 O THR A 15 0.665 2.243 -20.777 1.00 0.00 O ATOM 238 CB THR A 15 -2.035 4.218 -21.836 1.00 0.00 C ATOM 239 OG1 THR A 15 -2.505 5.388 -21.181 1.00 0.00 O ATOM 240 CG2 THR A 15 -2.734 2.974 -21.267 1.00 0.00 C ATOM 0 H THR A 15 0.302 2.576 -22.912 1.00 0.00 H new ATOM 0 HA THR A 15 -0.113 5.110 -21.468 1.00 0.00 H new ATOM 0 HB THR A 15 -2.273 4.278 -22.898 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.478 5.449 -21.278 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.813 3.077 -21.385 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.393 2.088 -21.803 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.493 2.873 -20.209 1.00 0.00 H new ATOM 248 N PRO A 16 -0.536 3.433 -19.337 1.00 0.00 N ATOM 249 CA PRO A 16 -0.172 2.601 -18.177 1.00 0.00 C ATOM 250 C PRO A 16 -0.952 1.282 -18.172 1.00 0.00 C ATOM 251 O PRO A 16 -2.145 1.247 -17.946 1.00 0.00 O ATOM 252 CB PRO A 16 -0.536 3.476 -16.975 1.00 0.00 C ATOM 253 CG PRO A 16 -1.579 4.500 -17.477 1.00 0.00 C ATOM 254 CD PRO A 16 -1.446 4.550 -19.012 1.00 0.00 C ATOM 0 HA PRO A 16 0.878 2.310 -18.178 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.944 2.872 -16.165 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.346 3.982 -16.582 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.586 4.202 -17.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.398 5.482 -17.041 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.414 4.429 -19.499 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.039 5.505 -19.345 1.00 0.00 H new ATOM 262 N GLY A 17 -0.269 0.195 -18.416 1.00 0.00 N ATOM 263 CA GLY A 17 -0.930 -1.143 -18.426 1.00 0.00 C ATOM 264 C GLY A 17 0.150 -2.217 -18.273 1.00 0.00 C ATOM 265 O GLY A 17 1.214 -1.955 -17.751 1.00 0.00 O ATOM 0 H GLY A 17 0.732 0.177 -18.611 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.654 -1.215 -17.614 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.479 -1.288 -19.356 1.00 0.00 H new ATOM 269 N ILE A 18 -0.095 -3.418 -18.722 1.00 0.00 N ATOM 270 CA ILE A 18 0.954 -4.470 -18.589 1.00 0.00 C ATOM 271 C ILE A 18 0.684 -5.624 -19.561 1.00 0.00 C ATOM 272 O ILE A 18 -0.436 -5.887 -19.949 1.00 0.00 O ATOM 273 CB ILE A 18 1.013 -4.983 -17.130 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.254 -6.498 -17.079 1.00 0.00 C ATOM 275 CG2 ILE A 18 -0.287 -4.664 -16.394 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.041 -7.248 -17.406 1.00 0.00 C ATOM 0 H ILE A 18 -0.963 -3.714 -19.169 1.00 0.00 H new ATOM 0 HA ILE A 18 1.921 -4.034 -18.841 1.00 0.00 H new ATOM 0 HB ILE A 18 1.846 -4.475 -16.644 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.033 -6.774 -17.790 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.609 -6.784 -16.089 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.225 -5.033 -15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.443 -3.585 -16.382 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.121 -5.146 -16.904 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.141 -8.322 -17.367 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.808 -6.983 -16.679 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.378 -6.973 -18.405 1.00 0.00 H new ATOM 288 N GLN A 19 1.722 -6.325 -19.926 1.00 0.00 N ATOM 289 CA GLN A 19 1.581 -7.488 -20.841 1.00 0.00 C ATOM 290 C GLN A 19 2.395 -8.641 -20.254 1.00 0.00 C ATOM 291 O GLN A 19 2.826 -8.581 -19.119 1.00 0.00 O ATOM 292 CB GLN A 19 2.123 -7.127 -22.226 1.00 0.00 C ATOM 293 CG GLN A 19 1.725 -5.690 -22.573 1.00 0.00 C ATOM 294 CD GLN A 19 2.840 -4.734 -22.144 1.00 0.00 C ATOM 295 OE1 GLN A 19 4.075 -5.006 -22.464 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 2.584 -3.729 -21.512 1.00 0.00 N flip ATOM 0 H GLN A 19 2.677 -6.136 -19.622 1.00 0.00 H new ATOM 0 HA GLN A 19 0.533 -7.770 -20.942 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.208 -7.229 -22.241 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.728 -7.815 -22.973 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.546 -5.600 -23.644 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.794 -5.428 -22.071 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.618 -3.516 -21.262 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.335 -3.098 -21.232 1.00 0.00 H new ATOM 305 N ILE A 20 2.618 -9.690 -20.994 1.00 0.00 N ATOM 306 CA ILE A 20 3.415 -10.815 -20.426 1.00 0.00 C ATOM 307 C ILE A 20 4.055 -11.628 -21.545 1.00 0.00 C ATOM 308 O ILE A 20 3.661 -11.547 -22.683 1.00 0.00 O ATOM 309 CB ILE A 20 2.500 -11.741 -19.621 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.810 -10.948 -18.513 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.327 -12.868 -18.994 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.925 -11.894 -17.705 1.00 0.00 C ATOM 0 H ILE A 20 2.290 -9.818 -21.951 1.00 0.00 H new ATOM 0 HA ILE A 20 4.191 -10.397 -19.784 1.00 0.00 H new ATOM 0 HB ILE A 20 1.749 -12.166 -20.287 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.552 -10.481 -17.866 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.210 -10.145 -18.942 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.672 -13.525 -18.422 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.817 -13.441 -19.781 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.081 -12.441 -18.332 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.427 -11.337 -16.911 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.176 -12.340 -18.360 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.539 -12.681 -17.267 1.00 0.00 H new ATOM 324 N TRP A 21 5.014 -12.444 -21.215 1.00 0.00 N ATOM 325 CA TRP A 21 5.649 -13.308 -22.244 1.00 0.00 C ATOM 326 C TRP A 21 5.525 -14.747 -21.747 1.00 0.00 C ATOM 327 O TRP A 21 5.987 -15.085 -20.676 1.00 0.00 O ATOM 328 CB TRP A 21 7.118 -12.929 -22.437 1.00 0.00 C ATOM 329 CG TRP A 21 7.202 -11.735 -23.338 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.341 -11.774 -24.687 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.150 -10.327 -22.972 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.373 -10.472 -25.168 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.258 -9.546 -24.145 1.00 0.00 C ATOM 334 CE3 TRP A 21 7.019 -9.665 -21.744 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.233 -8.146 -24.093 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.996 -8.265 -21.688 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.101 -7.506 -22.859 1.00 0.00 C ATOM 0 H TRP A 21 5.387 -12.550 -20.272 1.00 0.00 H new ATOM 0 HA TRP A 21 5.159 -13.186 -23.210 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.579 -12.707 -21.474 1.00 0.00 H new ATOM 0 HB3 TRP A 21 7.668 -13.765 -22.868 1.00 0.00 H new ATOM 0 HD1 TRP A 21 7.415 -12.669 -25.287 1.00 0.00 H new ATOM 0 HE1 TRP A 21 7.469 -10.228 -26.154 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.935 -10.239 -20.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 7.315 -7.566 -25.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.897 -7.768 -20.734 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.080 -6.427 -22.808 1.00 0.00 H new ATOM 348 N ARG A 22 4.853 -15.582 -22.484 1.00 0.00 N ATOM 349 CA ARG A 22 4.640 -16.978 -22.016 1.00 0.00 C ATOM 350 C ARG A 22 5.855 -17.866 -22.278 1.00 0.00 C ATOM 351 O ARG A 22 6.123 -18.261 -23.395 1.00 0.00 O ATOM 352 CB ARG A 22 3.426 -17.567 -22.739 1.00 0.00 C ATOM 353 CG ARG A 22 3.315 -19.060 -22.420 1.00 0.00 C ATOM 354 CD ARG A 22 1.980 -19.594 -22.940 1.00 0.00 C ATOM 355 NE ARG A 22 2.077 -19.830 -24.408 1.00 0.00 N ATOM 356 CZ ARG A 22 1.313 -19.163 -25.228 1.00 0.00 C ATOM 357 NH1 ARG A 22 1.190 -17.870 -25.099 1.00 0.00 N ATOM 358 NH2 ARG A 22 0.672 -19.786 -26.178 1.00 0.00 N ATOM 0 H ARG A 22 4.442 -15.359 -23.390 1.00 0.00 H new ATOM 0 HA ARG A 22 4.476 -16.947 -20.939 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.518 -17.050 -22.428 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.524 -17.421 -23.815 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.140 -19.603 -22.880 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.389 -19.219 -21.344 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.723 -20.521 -22.428 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.183 -18.881 -22.727 1.00 0.00 H new ATOM 0 HE ARG A 22 2.741 -20.513 -24.772 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.691 -17.382 -24.357 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.593 -17.348 -25.740 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.768 -20.796 -26.280 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.075 -19.263 -26.818 1.00 0.00 H new ATOM 372 N ILE A 23 6.554 -18.233 -21.238 1.00 0.00 N ATOM 373 CA ILE A 23 7.707 -19.156 -21.405 1.00 0.00 C ATOM 374 C ILE A 23 7.135 -20.565 -21.346 1.00 0.00 C ATOM 375 O ILE A 23 6.957 -21.106 -20.283 1.00 0.00 O ATOM 376 CB ILE A 23 8.727 -18.959 -20.266 1.00 0.00 C ATOM 377 CG1 ILE A 23 9.677 -17.813 -20.621 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.550 -20.243 -20.049 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.269 -16.558 -19.856 1.00 0.00 C ATOM 0 H ILE A 23 6.374 -17.932 -20.280 1.00 0.00 H new ATOM 0 HA ILE A 23 8.225 -18.969 -22.346 1.00 0.00 H new ATOM 0 HB ILE A 23 8.183 -18.725 -19.351 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.702 -18.086 -20.372 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.649 -17.623 -21.694 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.265 -20.085 -19.241 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.882 -21.063 -19.787 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.087 -20.490 -20.965 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.946 -15.742 -20.109 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.250 -16.282 -20.127 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.319 -16.752 -18.785 1.00 0.00 H new ATOM 391 N GLU A 24 6.817 -21.138 -22.476 1.00 0.00 N ATOM 392 CA GLU A 24 6.221 -22.515 -22.496 1.00 0.00 C ATOM 393 C GLU A 24 7.157 -23.487 -21.781 1.00 0.00 C ATOM 394 O GLU A 24 7.907 -24.211 -22.405 1.00 0.00 O ATOM 395 CB GLU A 24 6.029 -22.964 -23.945 1.00 0.00 C ATOM 396 CG GLU A 24 7.307 -22.683 -24.740 1.00 0.00 C ATOM 397 CD GLU A 24 6.993 -21.724 -25.889 1.00 0.00 C ATOM 398 OE1 GLU A 24 6.574 -20.613 -25.609 1.00 0.00 O ATOM 399 OE2 GLU A 24 7.177 -22.117 -27.029 1.00 0.00 O ATOM 0 H GLU A 24 6.944 -20.712 -23.394 1.00 0.00 H new ATOM 0 HA GLU A 24 5.257 -22.501 -21.988 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.793 -24.028 -23.979 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.186 -22.436 -24.392 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.066 -22.250 -24.088 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.717 -23.614 -25.131 1.00 0.00 H new ATOM 406 N ASN A 25 7.119 -23.500 -20.474 1.00 0.00 N ATOM 407 CA ASN A 25 8.005 -24.398 -19.676 1.00 0.00 C ATOM 408 C ASN A 25 9.428 -24.447 -20.260 1.00 0.00 C ATOM 409 O ASN A 25 10.200 -25.308 -19.892 1.00 0.00 O ATOM 410 CB ASN A 25 7.429 -25.822 -19.652 1.00 0.00 C ATOM 411 CG ASN A 25 6.530 -26.049 -20.869 1.00 0.00 C ATOM 412 OD1 ASN A 25 5.547 -25.358 -21.052 1.00 0.00 O ATOM 413 ND2 ASN A 25 6.826 -26.997 -21.717 1.00 0.00 N ATOM 0 H ASN A 25 6.498 -22.914 -19.916 1.00 0.00 H new ATOM 0 HA ASN A 25 8.054 -23.996 -18.664 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.240 -26.550 -19.649 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.859 -25.976 -18.736 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.233 -27.156 -22.531 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.651 -27.578 -21.565 1.00 0.00 H new ATOM 420 N MET A 26 9.804 -23.556 -21.158 1.00 0.00 N ATOM 421 CA MET A 26 11.186 -23.626 -21.723 1.00 0.00 C ATOM 422 C MET A 26 11.623 -22.265 -22.290 1.00 0.00 C ATOM 423 O MET A 26 12.425 -21.569 -21.700 1.00 0.00 O ATOM 424 CB MET A 26 11.270 -24.659 -22.879 1.00 0.00 C ATOM 425 CG MET A 26 10.653 -26.024 -22.515 1.00 0.00 C ATOM 426 SD MET A 26 11.923 -27.129 -21.836 1.00 0.00 S ATOM 427 CE MET A 26 12.862 -25.906 -20.887 1.00 0.00 C ATOM 0 H MET A 26 9.221 -22.799 -21.515 1.00 0.00 H new ATOM 0 HA MET A 26 11.840 -23.923 -20.903 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.760 -24.258 -23.755 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.315 -24.801 -23.156 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.854 -25.887 -21.787 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.204 -26.475 -23.400 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.573 -26.417 -20.238 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.402 -25.251 -21.571 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.178 -25.313 -20.280 1.00 0.00 H new ATOM 437 N GLU A 27 11.136 -21.903 -23.451 1.00 0.00 N ATOM 438 CA GLU A 27 11.562 -20.615 -24.078 1.00 0.00 C ATOM 439 C GLU A 27 10.652 -19.470 -23.636 1.00 0.00 C ATOM 440 O GLU A 27 10.167 -19.451 -22.525 1.00 0.00 O ATOM 441 CB GLU A 27 11.498 -20.755 -25.600 1.00 0.00 C ATOM 442 CG GLU A 27 11.901 -22.175 -26.000 1.00 0.00 C ATOM 443 CD GLU A 27 10.662 -22.950 -26.452 1.00 0.00 C ATOM 444 OE1 GLU A 27 9.759 -22.326 -26.986 1.00 0.00 O ATOM 445 OE2 GLU A 27 10.635 -24.153 -26.256 1.00 0.00 O ATOM 0 H GLU A 27 10.461 -22.445 -23.992 1.00 0.00 H new ATOM 0 HA GLU A 27 12.581 -20.390 -23.762 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.490 -20.539 -25.953 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.163 -20.031 -26.071 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.636 -22.143 -26.804 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.372 -22.681 -25.158 1.00 0.00 H new ATOM 452 N MET A 28 10.431 -18.510 -24.500 1.00 0.00 N ATOM 453 CA MET A 28 9.565 -17.353 -24.135 1.00 0.00 C ATOM 454 C MET A 28 8.756 -16.903 -25.353 1.00 0.00 C ATOM 455 O MET A 28 9.205 -16.982 -26.479 1.00 0.00 O ATOM 456 CB MET A 28 10.442 -16.199 -23.649 1.00 0.00 C ATOM 457 CG MET A 28 9.577 -14.957 -23.439 1.00 0.00 C ATOM 458 SD MET A 28 9.811 -14.337 -21.755 1.00 0.00 S ATOM 459 CE MET A 28 10.248 -12.641 -22.203 1.00 0.00 C ATOM 0 H MET A 28 10.815 -18.480 -25.444 1.00 0.00 H new ATOM 0 HA MET A 28 8.879 -17.652 -23.342 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.938 -16.472 -22.717 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.225 -15.991 -24.378 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.846 -14.187 -24.162 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.527 -15.199 -23.606 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.094 -11.987 -21.345 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.295 -12.603 -22.505 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.619 -12.310 -23.029 1.00 0.00 H new ATOM 469 N VAL A 29 7.560 -16.434 -25.126 1.00 0.00 N ATOM 470 CA VAL A 29 6.699 -15.976 -26.251 1.00 0.00 C ATOM 471 C VAL A 29 5.958 -14.711 -25.812 1.00 0.00 C ATOM 472 O VAL A 29 5.821 -14.462 -24.635 1.00 0.00 O ATOM 473 CB VAL A 29 5.733 -17.126 -26.612 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.298 -16.645 -26.909 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.281 -17.835 -27.846 1.00 0.00 C ATOM 0 H VAL A 29 7.139 -16.348 -24.201 1.00 0.00 H new ATOM 0 HA VAL A 29 7.282 -15.729 -27.138 1.00 0.00 H new ATOM 0 HB VAL A 29 5.672 -17.790 -25.750 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.671 -17.502 -27.155 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.894 -16.140 -26.031 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.313 -15.952 -27.751 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.615 -18.653 -28.121 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.348 -17.127 -28.672 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.272 -18.232 -27.627 1.00 0.00 H new ATOM 485 N PRO A 30 5.508 -13.945 -26.773 1.00 0.00 N ATOM 486 CA PRO A 30 4.776 -12.693 -26.506 1.00 0.00 C ATOM 487 C PRO A 30 3.340 -12.978 -26.047 1.00 0.00 C ATOM 488 O PRO A 30 2.658 -13.830 -26.582 1.00 0.00 O ATOM 489 CB PRO A 30 4.794 -11.971 -27.856 1.00 0.00 C ATOM 490 CG PRO A 30 5.028 -13.059 -28.929 1.00 0.00 C ATOM 491 CD PRO A 30 5.689 -14.249 -28.208 1.00 0.00 C ATOM 0 HA PRO A 30 5.224 -12.103 -25.706 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.853 -11.450 -28.030 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.584 -11.221 -27.885 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.087 -13.359 -29.389 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.669 -12.685 -29.728 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.215 -15.193 -28.479 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.744 -14.336 -28.467 1.00 0.00 H new ATOM 499 N VAL A 31 2.884 -12.255 -25.060 1.00 0.00 N ATOM 500 CA VAL A 31 1.494 -12.450 -24.546 1.00 0.00 C ATOM 501 C VAL A 31 0.748 -11.113 -24.623 1.00 0.00 C ATOM 502 O VAL A 31 0.898 -10.276 -23.752 1.00 0.00 O ATOM 503 CB VAL A 31 1.522 -12.909 -23.081 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.199 -13.589 -22.731 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.659 -13.903 -22.855 1.00 0.00 C ATOM 0 H VAL A 31 3.419 -11.530 -24.582 1.00 0.00 H new ATOM 0 HA VAL A 31 0.996 -13.209 -25.150 1.00 0.00 H new ATOM 0 HB VAL A 31 1.675 -12.035 -22.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.221 -13.914 -21.691 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.621 -12.885 -22.874 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.052 -14.454 -23.378 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.665 -14.218 -21.812 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.515 -14.773 -23.496 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.610 -13.429 -23.096 1.00 0.00 H new ATOM 515 N PRO A 32 -0.033 -10.950 -25.661 1.00 0.00 N ATOM 516 CA PRO A 32 -0.817 -9.721 -25.875 1.00 0.00 C ATOM 517 C PRO A 32 -2.041 -9.708 -24.954 1.00 0.00 C ATOM 518 O PRO A 32 -2.064 -10.362 -23.932 1.00 0.00 O ATOM 519 CB PRO A 32 -1.228 -9.811 -27.348 1.00 0.00 C ATOM 520 CG PRO A 32 -1.150 -11.308 -27.733 1.00 0.00 C ATOM 521 CD PRO A 32 -0.209 -11.973 -26.712 1.00 0.00 C ATOM 0 HA PRO A 32 -0.264 -8.808 -25.653 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.237 -9.425 -27.494 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.564 -9.214 -27.974 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.138 -11.767 -27.707 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.769 -11.428 -28.747 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.642 -12.888 -26.308 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.744 -12.245 -27.167 1.00 0.00 H new ATOM 529 N THR A 33 -3.058 -8.968 -25.304 1.00 0.00 N ATOM 530 CA THR A 33 -4.274 -8.923 -24.440 1.00 0.00 C ATOM 531 C THR A 33 -5.160 -10.122 -24.762 1.00 0.00 C ATOM 532 O THR A 33 -5.981 -10.533 -23.969 1.00 0.00 O ATOM 533 CB THR A 33 -5.067 -7.632 -24.698 1.00 0.00 C ATOM 534 OG1 THR A 33 -6.167 -7.914 -25.554 1.00 0.00 O ATOM 535 CG2 THR A 33 -4.173 -6.587 -25.360 1.00 0.00 C ATOM 0 H THR A 33 -3.100 -8.395 -26.147 1.00 0.00 H new ATOM 0 HA THR A 33 -3.966 -8.949 -23.395 1.00 0.00 H new ATOM 0 HB THR A 33 -5.427 -7.244 -23.745 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.674 -7.091 -25.717 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.747 -5.677 -25.537 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.330 -6.363 -24.706 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.803 -6.974 -26.310 1.00 0.00 H new ATOM 543 N LYS A 34 -5.008 -10.679 -25.930 1.00 0.00 N ATOM 544 CA LYS A 34 -5.853 -11.841 -26.306 1.00 0.00 C ATOM 545 C LYS A 34 -5.210 -13.137 -25.803 1.00 0.00 C ATOM 546 O LYS A 34 -5.719 -14.217 -26.026 1.00 0.00 O ATOM 547 CB LYS A 34 -5.992 -11.899 -27.828 1.00 0.00 C ATOM 548 CG LYS A 34 -6.500 -10.551 -28.346 1.00 0.00 C ATOM 549 CD LYS A 34 -6.039 -10.352 -29.792 1.00 0.00 C ATOM 550 CE LYS A 34 -6.593 -11.480 -30.665 1.00 0.00 C ATOM 551 NZ LYS A 34 -6.116 -11.304 -32.065 1.00 0.00 N ATOM 0 H LYS A 34 -4.337 -10.380 -26.637 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.838 -11.730 -25.852 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.030 -12.136 -28.283 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.683 -12.693 -28.111 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.588 -10.516 -28.292 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.123 -9.743 -27.719 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.383 -9.387 -30.165 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.950 -10.342 -29.840 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.269 -12.446 -30.278 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.683 -11.474 -30.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.492 -12.070 -32.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.446 -10.388 -32.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.076 -11.330 -32.083 1.00 0.00 H new ATOM 565 N SER A 35 -4.091 -13.042 -25.134 1.00 0.00 N ATOM 566 CA SER A 35 -3.423 -14.279 -24.631 1.00 0.00 C ATOM 567 C SER A 35 -3.051 -14.121 -23.154 1.00 0.00 C ATOM 568 O SER A 35 -2.928 -15.092 -22.434 1.00 0.00 O ATOM 569 CB SER A 35 -2.157 -14.535 -25.447 1.00 0.00 C ATOM 570 OG SER A 35 -2.343 -14.049 -26.770 1.00 0.00 O ATOM 0 H SER A 35 -3.613 -12.168 -24.915 1.00 0.00 H new ATOM 0 HA SER A 35 -4.110 -15.119 -24.734 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.305 -14.040 -24.982 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.933 -15.602 -25.467 1.00 0.00 H new ATOM 0 HG SER A 35 -1.619 -14.376 -27.343 1.00 0.00 H new ATOM 576 N TYR A 36 -2.862 -12.914 -22.692 1.00 0.00 N ATOM 577 CA TYR A 36 -2.489 -12.720 -21.261 1.00 0.00 C ATOM 578 C TYR A 36 -3.674 -13.087 -20.361 1.00 0.00 C ATOM 579 O TYR A 36 -3.562 -13.109 -19.152 1.00 0.00 O ATOM 580 CB TYR A 36 -2.081 -11.257 -21.027 1.00 0.00 C ATOM 581 CG TYR A 36 -3.307 -10.378 -20.892 1.00 0.00 C ATOM 582 CD1 TYR A 36 -4.483 -10.692 -21.585 1.00 0.00 C ATOM 583 CD2 TYR A 36 -3.263 -9.248 -20.067 1.00 0.00 C ATOM 584 CE1 TYR A 36 -5.612 -9.876 -21.454 1.00 0.00 C ATOM 585 CE2 TYR A 36 -4.394 -8.432 -19.936 1.00 0.00 C ATOM 586 CZ TYR A 36 -5.568 -8.746 -20.630 1.00 0.00 C ATOM 587 OH TYR A 36 -6.681 -7.941 -20.500 1.00 0.00 O ATOM 0 H TYR A 36 -2.949 -12.058 -23.240 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.647 -13.367 -21.017 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.473 -11.183 -20.126 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.466 -10.908 -21.856 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.518 -11.564 -22.221 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.357 -9.005 -19.531 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.518 -10.119 -21.989 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.360 -7.560 -19.299 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.480 -7.201 -19.890 1.00 0.00 H new ATOM 597 N GLY A 37 -4.806 -13.379 -20.940 1.00 0.00 N ATOM 598 CA GLY A 37 -5.989 -13.747 -20.113 1.00 0.00 C ATOM 599 C GLY A 37 -5.949 -15.243 -19.799 1.00 0.00 C ATOM 600 O GLY A 37 -6.773 -15.755 -19.068 1.00 0.00 O ATOM 0 H GLY A 37 -4.963 -13.379 -21.948 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.992 -13.171 -19.188 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.908 -13.501 -20.645 1.00 0.00 H new ATOM 604 N ASN A 38 -4.997 -15.952 -20.345 1.00 0.00 N ATOM 605 CA ASN A 38 -4.910 -17.413 -20.076 1.00 0.00 C ATOM 606 C ASN A 38 -3.461 -17.878 -20.235 1.00 0.00 C ATOM 607 O ASN A 38 -2.971 -18.046 -21.334 1.00 0.00 O ATOM 608 CB ASN A 38 -5.795 -18.164 -21.074 1.00 0.00 C ATOM 609 CG ASN A 38 -7.164 -17.490 -21.152 1.00 0.00 C ATOM 610 OD1 ASN A 38 -7.995 -17.670 -20.283 1.00 0.00 O ATOM 611 ND2 ASN A 38 -7.438 -16.711 -22.164 1.00 0.00 N ATOM 0 H ASN A 38 -4.277 -15.581 -20.965 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.247 -17.616 -19.059 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.326 -18.172 -22.058 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.907 -19.204 -20.766 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.348 -16.255 -22.224 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.742 -16.559 -22.894 1.00 0.00 H new ATOM 618 N PHE A 39 -2.769 -18.095 -19.148 1.00 0.00 N ATOM 619 CA PHE A 39 -1.355 -18.554 -19.251 1.00 0.00 C ATOM 620 C PHE A 39 -1.185 -19.868 -18.486 1.00 0.00 C ATOM 621 O PHE A 39 -1.618 -20.003 -17.360 1.00 0.00 O ATOM 622 CB PHE A 39 -0.404 -17.494 -18.675 1.00 0.00 C ATOM 623 CG PHE A 39 -1.150 -16.557 -17.752 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.790 -17.056 -16.611 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.191 -15.187 -18.036 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.473 -16.183 -15.755 1.00 0.00 C ATOM 627 CE2 PHE A 39 -1.872 -14.315 -17.180 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.513 -14.812 -16.041 1.00 0.00 C ATOM 0 H PHE A 39 -3.120 -17.975 -18.198 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.112 -18.709 -20.302 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.406 -17.981 -18.131 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.052 -16.927 -19.487 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.757 -18.113 -16.391 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.697 -14.803 -18.916 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.968 -16.566 -14.875 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.903 -13.258 -17.399 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.039 -14.138 -15.381 1.00 0.00 H new ATOM 638 N TYR A 40 -0.566 -20.841 -19.102 1.00 0.00 N ATOM 639 CA TYR A 40 -0.371 -22.165 -18.437 1.00 0.00 C ATOM 640 C TYR A 40 -0.030 -21.967 -16.958 1.00 0.00 C ATOM 641 O TYR A 40 0.529 -20.962 -16.568 1.00 0.00 O ATOM 642 CB TYR A 40 0.783 -22.911 -19.120 1.00 0.00 C ATOM 643 CG TYR A 40 0.467 -23.148 -20.584 1.00 0.00 C ATOM 644 CD1 TYR A 40 -0.743 -22.701 -21.132 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.389 -23.823 -21.393 1.00 0.00 C ATOM 646 CE1 TYR A 40 -1.030 -22.929 -22.481 1.00 0.00 C ATOM 647 CE2 TYR A 40 1.100 -24.052 -22.744 1.00 0.00 C ATOM 648 CZ TYR A 40 -0.109 -23.605 -23.289 1.00 0.00 C ATOM 649 OH TYR A 40 -0.392 -23.830 -24.620 1.00 0.00 O ATOM 0 H TYR A 40 -0.184 -20.775 -20.045 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.292 -22.742 -18.520 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.702 -22.333 -19.029 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.955 -23.864 -18.620 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.456 -22.179 -20.510 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.323 -24.167 -20.975 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.963 -22.583 -22.900 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.811 -24.574 -23.366 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.965 -23.111 -24.959 1.00 0.00 H new ATOM 659 N GLU A 41 -0.359 -22.924 -16.132 1.00 0.00 N ATOM 660 CA GLU A 41 -0.049 -22.797 -14.679 1.00 0.00 C ATOM 661 C GLU A 41 1.334 -23.373 -14.409 1.00 0.00 C ATOM 662 O GLU A 41 2.137 -22.789 -13.710 1.00 0.00 O ATOM 663 CB GLU A 41 -1.082 -23.570 -13.856 1.00 0.00 C ATOM 664 CG GLU A 41 -0.879 -25.073 -14.067 1.00 0.00 C ATOM 665 CD GLU A 41 -2.029 -25.840 -13.413 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.921 -26.138 -12.234 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.997 -26.119 -14.100 1.00 0.00 O ATOM 0 H GLU A 41 -0.829 -23.788 -16.401 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.077 -21.744 -14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.980 -23.323 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.090 -23.283 -14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.837 -25.299 -15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.072 -25.386 -13.637 1.00 0.00 H new ATOM 674 N GLY A 42 1.617 -24.514 -14.961 1.00 0.00 N ATOM 675 CA GLY A 42 2.949 -25.129 -14.741 1.00 0.00 C ATOM 676 C GLY A 42 3.953 -24.510 -15.711 1.00 0.00 C ATOM 677 O GLY A 42 4.408 -25.154 -16.636 1.00 0.00 O ATOM 0 H GLY A 42 0.983 -25.048 -15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.272 -24.968 -13.712 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.895 -26.207 -14.893 1.00 0.00 H new ATOM 681 N ASP A 43 4.305 -23.266 -15.522 1.00 0.00 N ATOM 682 CA ASP A 43 5.280 -22.642 -16.462 1.00 0.00 C ATOM 683 C ASP A 43 5.848 -21.338 -15.884 1.00 0.00 C ATOM 684 O ASP A 43 5.694 -21.038 -14.718 1.00 0.00 O ATOM 685 CB ASP A 43 4.568 -22.351 -17.787 1.00 0.00 C ATOM 686 CG ASP A 43 4.627 -23.589 -18.681 1.00 0.00 C ATOM 687 OD1 ASP A 43 5.638 -24.269 -18.651 1.00 0.00 O ATOM 688 OD2 ASP A 43 3.659 -23.837 -19.382 1.00 0.00 O ATOM 0 H ASP A 43 3.967 -22.664 -14.771 1.00 0.00 H new ATOM 0 HA ASP A 43 6.110 -23.331 -16.619 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.531 -22.073 -17.601 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.040 -21.505 -18.287 1.00 0.00 H new ATOM 693 N CYS A 44 6.495 -20.562 -16.717 1.00 0.00 N ATOM 694 CA CYS A 44 7.079 -19.262 -16.273 1.00 0.00 C ATOM 695 C CYS A 44 6.582 -18.164 -17.212 1.00 0.00 C ATOM 696 O CYS A 44 6.196 -18.424 -18.332 1.00 0.00 O ATOM 697 CB CYS A 44 8.604 -19.342 -16.360 1.00 0.00 C ATOM 698 SG CYS A 44 9.276 -19.924 -14.784 1.00 0.00 S ATOM 0 H CYS A 44 6.645 -20.779 -17.702 1.00 0.00 H new ATOM 0 HA CYS A 44 6.782 -19.045 -15.247 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.897 -20.018 -17.163 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.016 -18.362 -16.602 1.00 0.00 H new ATOM 0 HG CYS A 44 10.361 -19.265 -14.505 1.00 0.00 H new ATOM 704 N TYR A 45 6.580 -16.941 -16.764 1.00 0.00 N ATOM 705 CA TYR A 45 6.099 -15.832 -17.634 1.00 0.00 C ATOM 706 C TYR A 45 6.886 -14.561 -17.309 1.00 0.00 C ATOM 707 O TYR A 45 7.586 -14.490 -16.320 1.00 0.00 O ATOM 708 CB TYR A 45 4.612 -15.589 -17.365 1.00 0.00 C ATOM 709 CG TYR A 45 3.791 -16.645 -18.069 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.773 -17.959 -17.586 1.00 0.00 C ATOM 711 CD2 TYR A 45 3.046 -16.308 -19.204 1.00 0.00 C ATOM 712 CE1 TYR A 45 3.013 -18.935 -18.236 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.285 -17.286 -19.855 1.00 0.00 C ATOM 714 CZ TYR A 45 2.268 -18.599 -19.372 1.00 0.00 C ATOM 715 OH TYR A 45 1.518 -19.561 -20.015 1.00 0.00 O ATOM 0 H TYR A 45 6.890 -16.661 -15.834 1.00 0.00 H new ATOM 0 HA TYR A 45 6.244 -16.096 -18.682 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.417 -15.617 -16.293 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.326 -14.597 -17.716 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.348 -18.219 -16.709 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.058 -15.295 -19.577 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.001 -19.948 -17.862 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.710 -17.027 -20.732 1.00 0.00 H new ATOM 0 HH TYR A 45 2.018 -20.403 -20.040 1.00 0.00 H new ATOM 725 N VAL A 46 6.772 -13.556 -18.128 1.00 0.00 N ATOM 726 CA VAL A 46 7.504 -12.287 -17.859 1.00 0.00 C ATOM 727 C VAL A 46 6.530 -11.122 -18.024 1.00 0.00 C ATOM 728 O VAL A 46 6.048 -10.859 -19.101 1.00 0.00 O ATOM 729 CB VAL A 46 8.663 -12.137 -18.844 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.386 -10.814 -18.584 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.645 -13.296 -18.655 1.00 0.00 C ATOM 0 H VAL A 46 6.203 -13.557 -18.974 1.00 0.00 H new ATOM 0 HA VAL A 46 7.907 -12.297 -16.846 1.00 0.00 H new ATOM 0 HB VAL A 46 8.276 -12.147 -19.863 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.213 -10.707 -19.286 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.689 -9.986 -18.715 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.772 -10.805 -17.565 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.472 -13.190 -19.357 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.030 -13.284 -17.636 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.133 -14.241 -18.838 1.00 0.00 H new ATOM 741 N LEU A 47 6.222 -10.437 -16.960 1.00 0.00 N ATOM 742 CA LEU A 47 5.258 -9.302 -17.051 1.00 0.00 C ATOM 743 C LEU A 47 6.004 -7.998 -17.346 1.00 0.00 C ATOM 744 O LEU A 47 7.166 -7.846 -17.030 1.00 0.00 O ATOM 745 CB LEU A 47 4.532 -9.175 -15.712 1.00 0.00 C ATOM 746 CG LEU A 47 3.355 -8.212 -15.832 1.00 0.00 C ATOM 747 CD1 LEU A 47 2.059 -8.933 -15.455 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.579 -7.042 -14.874 1.00 0.00 C ATOM 0 H LEU A 47 6.596 -10.613 -16.028 1.00 0.00 H new ATOM 0 HA LEU A 47 4.547 -9.490 -17.855 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.177 -10.154 -15.390 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.224 -8.820 -14.949 1.00 0.00 H new ATOM 0 HG LEU A 47 3.278 -7.849 -16.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.220 -8.243 -15.542 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.904 -9.778 -16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.128 -9.293 -14.428 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.744 -6.345 -14.949 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.648 -7.416 -13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.505 -6.529 -15.136 1.00 0.00 H new ATOM 760 N LEU A 48 5.330 -7.046 -17.934 1.00 0.00 N ATOM 761 CA LEU A 48 5.978 -5.739 -18.233 1.00 0.00 C ATOM 762 C LEU A 48 4.925 -4.639 -18.104 1.00 0.00 C ATOM 763 O LEU A 48 4.287 -4.255 -19.064 1.00 0.00 O ATOM 764 CB LEU A 48 6.559 -5.744 -19.652 1.00 0.00 C ATOM 765 CG LEU A 48 6.924 -4.316 -20.060 1.00 0.00 C ATOM 766 CD1 LEU A 48 7.990 -3.769 -19.110 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.470 -4.320 -21.490 1.00 0.00 C ATOM 0 H LEU A 48 4.354 -7.119 -18.221 1.00 0.00 H new ATOM 0 HA LEU A 48 6.794 -5.563 -17.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.442 -6.382 -19.692 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.834 -6.159 -20.352 1.00 0.00 H new ATOM 0 HG LEU A 48 6.036 -3.686 -20.010 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.250 -2.751 -19.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.603 -3.767 -18.091 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.879 -4.398 -19.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.731 -3.303 -21.783 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.358 -4.951 -21.539 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.711 -4.709 -22.168 1.00 0.00 H new ATOM 779 N SER A 49 4.724 -4.143 -16.914 1.00 0.00 N ATOM 780 CA SER A 49 3.701 -3.081 -16.712 1.00 0.00 C ATOM 781 C SER A 49 4.320 -1.716 -16.952 1.00 0.00 C ATOM 782 O SER A 49 5.227 -1.287 -16.266 1.00 0.00 O ATOM 783 CB SER A 49 3.149 -3.156 -15.287 1.00 0.00 C ATOM 784 OG SER A 49 1.803 -2.701 -15.283 1.00 0.00 O ATOM 0 H SER A 49 5.225 -4.428 -16.073 1.00 0.00 H new ATOM 0 HA SER A 49 2.886 -3.233 -17.420 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.200 -4.180 -14.918 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.754 -2.545 -14.617 1.00 0.00 H new ATOM 0 HG SER A 49 1.634 -2.172 -16.091 1.00 0.00 H new ATOM 790 N THR A 50 3.819 -1.039 -17.933 1.00 0.00 N ATOM 791 CA THR A 50 4.330 0.304 -18.273 1.00 0.00 C ATOM 792 C THR A 50 3.408 1.353 -17.641 1.00 0.00 C ATOM 793 O THR A 50 2.267 1.075 -17.326 1.00 0.00 O ATOM 794 CB THR A 50 4.320 0.414 -19.795 1.00 0.00 C ATOM 795 OG1 THR A 50 5.500 -0.178 -20.317 1.00 0.00 O ATOM 796 CG2 THR A 50 4.249 1.876 -20.228 1.00 0.00 C ATOM 0 H THR A 50 3.058 -1.368 -18.528 1.00 0.00 H new ATOM 0 HA THR A 50 5.340 0.466 -17.897 1.00 0.00 H new ATOM 0 HB THR A 50 3.442 -0.106 -20.179 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.173 0.517 -20.473 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.243 1.933 -21.316 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.338 2.328 -19.836 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.115 2.412 -19.841 1.00 0.00 H new ATOM 804 N ARG A 51 3.884 2.552 -17.446 1.00 0.00 N ATOM 805 CA ARG A 51 3.018 3.599 -16.828 1.00 0.00 C ATOM 806 C ARG A 51 3.582 4.987 -17.134 1.00 0.00 C ATOM 807 O ARG A 51 4.678 5.325 -16.734 1.00 0.00 O ATOM 808 CB ARG A 51 2.960 3.394 -15.311 1.00 0.00 C ATOM 809 CG ARG A 51 4.251 2.727 -14.828 1.00 0.00 C ATOM 810 CD ARG A 51 4.514 3.118 -13.372 1.00 0.00 C ATOM 811 NE ARG A 51 3.642 2.310 -12.475 1.00 0.00 N ATOM 812 CZ ARG A 51 2.906 2.902 -11.576 1.00 0.00 C ATOM 813 NH1 ARG A 51 3.338 3.982 -10.984 1.00 0.00 N ATOM 814 NH2 ARG A 51 1.736 2.412 -11.265 1.00 0.00 N ATOM 0 H ARG A 51 4.829 2.852 -17.686 1.00 0.00 H new ATOM 0 HA ARG A 51 2.013 3.519 -17.243 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.826 4.353 -14.810 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.101 2.776 -15.051 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.168 1.644 -14.915 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.088 3.034 -15.455 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.562 2.952 -13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.317 4.180 -13.228 1.00 0.00 H new ATOM 0 HE ARG A 51 3.620 1.294 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.253 4.364 -11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.761 4.444 -10.281 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.398 1.567 -11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.160 2.875 -10.562 1.00 0.00 H new ATOM 828 N LYS A 52 2.838 5.797 -17.836 1.00 0.00 N ATOM 829 CA LYS A 52 3.330 7.164 -18.160 1.00 0.00 C ATOM 830 C LYS A 52 3.900 7.809 -16.894 1.00 0.00 C ATOM 831 O LYS A 52 3.781 7.275 -15.810 1.00 0.00 O ATOM 832 CB LYS A 52 2.173 8.014 -18.691 1.00 0.00 C ATOM 833 CG LYS A 52 1.051 8.057 -17.652 1.00 0.00 C ATOM 834 CD LYS A 52 -0.008 9.072 -18.088 1.00 0.00 C ATOM 835 CE LYS A 52 -0.379 9.964 -16.904 1.00 0.00 C ATOM 836 NZ LYS A 52 -1.832 9.820 -16.608 1.00 0.00 N ATOM 0 H LYS A 52 1.912 5.571 -18.198 1.00 0.00 H new ATOM 0 HA LYS A 52 4.108 7.101 -18.920 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.520 9.024 -18.909 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.801 7.596 -19.626 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.602 7.070 -17.545 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.454 8.331 -16.677 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.372 9.680 -18.909 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.893 8.554 -18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.210 9.689 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.145 11.004 -17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.084 10.427 -15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.386 10.103 -17.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.042 8.829 -16.373 1.00 0.00 H new ATOM 850 N THR A 53 4.515 8.953 -17.021 1.00 0.00 N ATOM 851 CA THR A 53 5.090 9.626 -15.822 1.00 0.00 C ATOM 852 C THR A 53 5.474 11.064 -16.180 1.00 0.00 C ATOM 853 O THR A 53 5.419 11.464 -17.325 1.00 0.00 O ATOM 854 CB THR A 53 6.338 8.870 -15.358 1.00 0.00 C ATOM 855 OG1 THR A 53 7.040 8.380 -16.492 1.00 0.00 O ATOM 856 CG2 THR A 53 5.927 7.699 -14.465 1.00 0.00 C ATOM 0 H THR A 53 4.644 9.450 -17.902 1.00 0.00 H new ATOM 0 HA THR A 53 4.350 9.632 -15.022 1.00 0.00 H new ATOM 0 HB THR A 53 6.982 9.544 -14.793 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.840 7.897 -16.198 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.817 7.162 -14.136 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.388 8.076 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.282 7.023 -15.026 1.00 0.00 H new ATOM 864 N GLY A 54 5.864 11.844 -15.208 1.00 0.00 N ATOM 865 CA GLY A 54 6.252 13.253 -15.494 1.00 0.00 C ATOM 866 C GLY A 54 7.408 13.268 -16.496 1.00 0.00 C ATOM 867 O GLY A 54 7.674 14.265 -17.137 1.00 0.00 O ATOM 0 H GLY A 54 5.930 11.565 -14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.400 13.802 -15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.548 13.754 -14.573 1.00 0.00 H new ATOM 871 N SER A 55 8.095 12.168 -16.637 1.00 0.00 N ATOM 872 CA SER A 55 9.233 12.116 -17.597 1.00 0.00 C ATOM 873 C SER A 55 8.772 11.448 -18.895 1.00 0.00 C ATOM 874 O SER A 55 8.944 11.980 -19.973 1.00 0.00 O ATOM 875 CB SER A 55 10.378 11.309 -16.988 1.00 0.00 C ATOM 876 OG SER A 55 10.470 11.597 -15.598 1.00 0.00 O ATOM 0 H SER A 55 7.917 11.302 -16.128 1.00 0.00 H new ATOM 0 HA SER A 55 9.576 13.128 -17.810 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.208 10.243 -17.140 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.316 11.556 -17.485 1.00 0.00 H new ATOM 0 HG SER A 55 11.203 11.079 -15.204 1.00 0.00 H new ATOM 882 N GLY A 56 8.186 10.287 -18.797 1.00 0.00 N ATOM 883 CA GLY A 56 7.713 9.584 -20.024 1.00 0.00 C ATOM 884 C GLY A 56 6.980 8.300 -19.629 1.00 0.00 C ATOM 885 O GLY A 56 5.829 8.326 -19.243 1.00 0.00 O ATOM 0 H GLY A 56 8.014 9.794 -17.921 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.049 10.233 -20.594 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.559 9.348 -20.669 1.00 0.00 H new ATOM 889 N PHE A 57 7.638 7.178 -19.723 1.00 0.00 N ATOM 890 CA PHE A 57 6.979 5.893 -19.354 1.00 0.00 C ATOM 891 C PHE A 57 7.716 5.244 -18.180 1.00 0.00 C ATOM 892 O PHE A 57 8.873 5.514 -17.925 1.00 0.00 O ATOM 893 CB PHE A 57 7.006 4.938 -20.553 1.00 0.00 C ATOM 894 CG PHE A 57 5.656 4.914 -21.236 1.00 0.00 C ATOM 895 CD1 PHE A 57 4.761 5.981 -21.081 1.00 0.00 C ATOM 896 CD2 PHE A 57 5.294 3.810 -22.018 1.00 0.00 C ATOM 897 CE1 PHE A 57 3.508 5.940 -21.705 1.00 0.00 C ATOM 898 CE2 PHE A 57 4.043 3.773 -22.644 1.00 0.00 C ATOM 899 CZ PHE A 57 3.151 4.834 -22.487 1.00 0.00 C ATOM 0 H PHE A 57 8.604 7.095 -20.040 1.00 0.00 H new ATOM 0 HA PHE A 57 5.947 6.096 -19.066 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.773 5.253 -21.260 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.271 3.934 -20.221 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.038 6.835 -20.480 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.982 2.986 -22.138 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.817 6.761 -21.583 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.768 2.922 -23.249 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.185 4.803 -22.969 1.00 0.00 H new ATOM 909 N SER A 58 7.046 4.375 -17.476 1.00 0.00 N ATOM 910 CA SER A 58 7.679 3.673 -16.323 1.00 0.00 C ATOM 911 C SER A 58 7.401 2.178 -16.474 1.00 0.00 C ATOM 912 O SER A 58 6.267 1.764 -16.602 1.00 0.00 O ATOM 913 CB SER A 58 7.077 4.182 -15.012 1.00 0.00 C ATOM 914 OG SER A 58 7.965 5.122 -14.422 1.00 0.00 O ATOM 0 H SER A 58 6.075 4.118 -17.652 1.00 0.00 H new ATOM 0 HA SER A 58 8.753 3.861 -16.307 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.109 4.647 -15.199 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.905 3.349 -14.330 1.00 0.00 H new ATOM 0 HG SER A 58 7.760 5.211 -13.468 1.00 0.00 H new ATOM 920 N TYR A 59 8.417 1.363 -16.502 1.00 0.00 N ATOM 921 CA TYR A 59 8.177 -0.095 -16.697 1.00 0.00 C ATOM 922 C TYR A 59 8.353 -0.878 -15.394 1.00 0.00 C ATOM 923 O TYR A 59 9.084 -0.493 -14.502 1.00 0.00 O ATOM 924 CB TYR A 59 9.155 -0.620 -17.746 1.00 0.00 C ATOM 925 CG TYR A 59 9.255 0.379 -18.873 1.00 0.00 C ATOM 926 CD1 TYR A 59 8.094 0.834 -19.506 1.00 0.00 C ATOM 927 CD2 TYR A 59 10.507 0.851 -19.284 1.00 0.00 C ATOM 928 CE1 TYR A 59 8.181 1.761 -20.550 1.00 0.00 C ATOM 929 CE2 TYR A 59 10.596 1.779 -20.328 1.00 0.00 C ATOM 930 CZ TYR A 59 9.433 2.234 -20.961 1.00 0.00 C ATOM 931 OH TYR A 59 9.520 3.149 -21.992 1.00 0.00 O ATOM 0 H TYR A 59 9.394 1.638 -16.400 1.00 0.00 H new ATOM 0 HA TYR A 59 7.148 -0.233 -17.029 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.136 -0.781 -17.298 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.816 -1.584 -18.127 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.128 0.469 -19.188 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.404 0.499 -18.796 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.284 2.111 -21.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.562 2.144 -20.645 1.00 0.00 H new ATOM 0 HH TYR A 59 10.460 3.374 -22.151 1.00 0.00 H new ATOM 941 N ASN A 60 7.680 -1.992 -15.307 1.00 0.00 N ATOM 942 CA ASN A 60 7.763 -2.869 -14.105 1.00 0.00 C ATOM 943 C ASN A 60 7.849 -4.313 -14.600 1.00 0.00 C ATOM 944 O ASN A 60 6.852 -4.929 -14.913 1.00 0.00 O ATOM 945 CB ASN A 60 6.500 -2.687 -13.261 1.00 0.00 C ATOM 946 CG ASN A 60 6.788 -1.734 -12.100 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.795 -1.859 -11.431 1.00 0.00 O ATOM 948 ND2 ASN A 60 5.940 -0.780 -11.830 1.00 0.00 N ATOM 0 H ASN A 60 7.060 -2.340 -16.038 1.00 0.00 H new ATOM 0 HA ASN A 60 8.632 -2.619 -13.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.693 -2.291 -13.878 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.165 -3.651 -12.878 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.122 -0.139 -11.058 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.095 -0.675 -12.391 1.00 0.00 H new ATOM 955 N ILE A 61 9.033 -4.842 -14.716 1.00 0.00 N ATOM 956 CA ILE A 61 9.179 -6.230 -15.238 1.00 0.00 C ATOM 957 C ILE A 61 9.080 -7.256 -14.111 1.00 0.00 C ATOM 958 O ILE A 61 9.839 -7.235 -13.163 1.00 0.00 O ATOM 959 CB ILE A 61 10.536 -6.368 -15.920 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.735 -5.212 -16.902 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.590 -7.693 -16.674 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.231 -4.933 -17.067 1.00 0.00 C ATOM 0 H ILE A 61 9.906 -4.375 -14.472 1.00 0.00 H new ATOM 0 HA ILE A 61 8.374 -6.417 -15.948 1.00 0.00 H new ATOM 0 HB ILE A 61 11.326 -6.344 -15.169 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.292 -5.460 -17.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.226 -4.320 -16.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.559 -7.794 -17.163 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.449 -8.516 -15.974 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.801 -7.717 -17.425 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.372 -4.109 -17.767 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.660 -4.666 -16.101 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.727 -5.824 -17.451 1.00 0.00 H new ATOM 974 N HIS A 62 8.154 -8.170 -14.224 1.00 0.00 N ATOM 975 CA HIS A 62 7.997 -9.222 -13.182 1.00 0.00 C ATOM 976 C HIS A 62 8.422 -10.560 -13.757 1.00 0.00 C ATOM 977 O HIS A 62 8.573 -10.715 -14.952 1.00 0.00 O ATOM 978 CB HIS A 62 6.527 -9.362 -12.795 1.00 0.00 C ATOM 979 CG HIS A 62 6.018 -8.076 -12.214 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.965 -6.805 -12.726 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.463 -7.999 -10.946 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.385 -5.948 -11.795 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.102 -6.719 -10.741 1.00 0.00 N flip ATOM 0 H HIS A 62 7.495 -8.232 -15.000 1.00 0.00 H new ATOM 0 HA HIS A 62 8.601 -8.943 -12.319 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.937 -9.632 -13.671 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.410 -10.168 -12.071 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.300 -6.529 -13.649 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.342 -8.816 -10.250 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.203 -4.889 -11.902 1.00 0.00 H new ATOM 991 N TYR A 63 8.555 -11.549 -12.927 1.00 0.00 N ATOM 992 CA TYR A 63 8.899 -12.884 -13.459 1.00 0.00 C ATOM 993 C TYR A 63 8.085 -13.943 -12.714 1.00 0.00 C ATOM 994 O TYR A 63 8.288 -14.204 -11.545 1.00 0.00 O ATOM 995 CB TYR A 63 10.408 -13.154 -13.367 1.00 0.00 C ATOM 996 CG TYR A 63 10.870 -13.239 -11.930 1.00 0.00 C ATOM 997 CD1 TYR A 63 10.821 -14.460 -11.249 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.376 -12.102 -11.290 1.00 0.00 C ATOM 999 CE1 TYR A 63 11.277 -14.545 -9.928 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.829 -12.186 -9.968 1.00 0.00 C ATOM 1001 CZ TYR A 63 11.780 -13.409 -9.287 1.00 0.00 C ATOM 1002 OH TYR A 63 12.237 -13.496 -7.987 1.00 0.00 O ATOM 0 H TYR A 63 8.442 -11.491 -11.915 1.00 0.00 H new ATOM 0 HA TYR A 63 8.645 -12.925 -14.518 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.644 -14.085 -13.882 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.952 -12.360 -13.879 1.00 0.00 H new ATOM 0 HD1 TYR A 63 10.431 -15.338 -11.743 1.00 0.00 H new ATOM 0 HD2 TYR A 63 11.417 -11.160 -11.816 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.240 -15.489 -9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.216 -11.308 -9.473 1.00 0.00 H new ATOM 0 HH TYR A 63 12.831 -12.740 -7.798 1.00 0.00 H new ATOM 1012 N TRP A 64 7.139 -14.530 -13.398 1.00 0.00 N ATOM 1013 CA TRP A 64 6.261 -15.555 -12.770 1.00 0.00 C ATOM 1014 C TRP A 64 6.926 -16.921 -12.859 1.00 0.00 C ATOM 1015 O TRP A 64 7.479 -17.288 -13.876 1.00 0.00 O ATOM 1016 CB TRP A 64 4.928 -15.575 -13.513 1.00 0.00 C ATOM 1017 CG TRP A 64 3.896 -16.279 -12.701 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.526 -15.960 -11.438 1.00 0.00 C ATOM 1019 CD2 TRP A 64 3.084 -17.416 -13.090 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.537 -16.840 -11.032 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.232 -17.756 -12.019 1.00 0.00 C ATOM 1022 CE3 TRP A 64 3.015 -18.174 -14.265 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.334 -18.819 -12.112 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 2.114 -19.245 -14.368 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.276 -19.566 -13.292 1.00 0.00 C ATOM 0 H TRP A 64 6.936 -14.338 -14.379 1.00 0.00 H new ATOM 0 HA TRP A 64 6.095 -15.314 -11.720 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.604 -14.555 -13.721 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.047 -16.074 -14.475 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.934 -15.154 -10.846 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.089 -16.815 -10.116 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.659 -17.933 -15.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 0.690 -19.063 -11.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.066 -19.823 -15.279 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.584 -20.391 -13.374 1.00 0.00 H new ATOM 1036 N LEU A 65 6.897 -17.668 -11.791 1.00 0.00 N ATOM 1037 CA LEU A 65 7.555 -18.999 -11.804 1.00 0.00 C ATOM 1038 C LEU A 65 6.544 -20.111 -11.521 1.00 0.00 C ATOM 1039 O LEU A 65 6.687 -20.834 -10.560 1.00 0.00 O ATOM 1040 CB LEU A 65 8.635 -19.032 -10.713 1.00 0.00 C ATOM 1041 CG LEU A 65 9.942 -18.344 -11.158 1.00 0.00 C ATOM 1042 CD1 LEU A 65 10.979 -19.408 -11.512 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.727 -17.436 -12.374 1.00 0.00 C ATOM 0 H LEU A 65 6.446 -17.413 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 65 7.992 -19.160 -12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.257 -18.542 -9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.846 -20.067 -10.445 1.00 0.00 H new ATOM 0 HG LEU A 65 10.289 -17.726 -10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.904 -18.924 -11.827 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.174 -20.031 -10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.600 -20.030 -12.323 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.673 -16.972 -12.653 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.353 -18.029 -13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.002 -16.661 -12.126 1.00 0.00 H new ATOM 1055 N GLY A 66 5.546 -20.275 -12.352 1.00 0.00 N ATOM 1056 CA GLY A 66 4.560 -21.379 -12.125 1.00 0.00 C ATOM 1057 C GLY A 66 5.344 -22.682 -11.946 1.00 0.00 C ATOM 1058 O GLY A 66 5.644 -23.369 -12.907 1.00 0.00 O ATOM 0 H GLY A 66 5.370 -19.697 -13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.954 -21.174 -11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.876 -21.459 -12.970 1.00 0.00 H new ATOM 1062 N LYS A 67 5.698 -22.983 -10.716 1.00 0.00 N ATOM 1063 CA LYS A 67 6.514 -24.185 -10.380 1.00 0.00 C ATOM 1064 C LYS A 67 6.131 -25.401 -11.207 1.00 0.00 C ATOM 1065 O LYS A 67 5.278 -26.187 -10.843 1.00 0.00 O ATOM 1066 CB LYS A 67 6.341 -24.506 -8.897 1.00 0.00 C ATOM 1067 CG LYS A 67 7.599 -25.203 -8.375 1.00 0.00 C ATOM 1068 CD LYS A 67 8.806 -24.281 -8.560 1.00 0.00 C ATOM 1069 CE LYS A 67 9.404 -23.941 -7.194 1.00 0.00 C ATOM 1070 NZ LYS A 67 10.890 -23.901 -7.299 1.00 0.00 N ATOM 0 H LYS A 67 5.442 -22.419 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 67 7.554 -23.952 -10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.160 -23.590 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.471 -25.146 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.478 -25.454 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.758 -26.139 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.555 -24.766 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.504 -23.368 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.027 -22.978 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.101 -24.684 -6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.298 -23.670 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.241 -24.829 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.170 -23.176 -7.990 1.00 0.00 H new ATOM 1084 N ASN A 68 6.796 -25.569 -12.304 1.00 0.00 N ATOM 1085 CA ASN A 68 6.538 -26.742 -13.175 1.00 0.00 C ATOM 1086 C ASN A 68 7.716 -26.913 -14.128 1.00 0.00 C ATOM 1087 O ASN A 68 8.223 -28.001 -14.321 1.00 0.00 O ATOM 1088 CB ASN A 68 5.261 -26.509 -13.957 1.00 0.00 C ATOM 1089 CG ASN A 68 4.114 -27.274 -13.293 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.416 -26.694 -12.354 1.00 0.00 O flip ATOM 1091 ND2 ASN A 68 3.850 -28.411 -13.631 1.00 0.00 N flip ATOM 0 H ASN A 68 7.520 -24.935 -12.642 1.00 0.00 H new ATOM 0 HA ASN A 68 6.425 -27.645 -12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.031 -25.444 -13.991 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.386 -26.841 -14.988 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.395 -28.865 -14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.084 -28.912 -13.181 1.00 0.00 H new ATOM 1098 N SER A 69 8.160 -25.839 -14.721 1.00 0.00 N ATOM 1099 CA SER A 69 9.313 -25.932 -15.660 1.00 0.00 C ATOM 1100 C SER A 69 10.540 -26.449 -14.904 1.00 0.00 C ATOM 1101 O SER A 69 10.422 -27.091 -13.879 1.00 0.00 O ATOM 1102 CB SER A 69 9.615 -24.549 -16.237 1.00 0.00 C ATOM 1103 OG SER A 69 10.406 -23.817 -15.311 1.00 0.00 O ATOM 0 H SER A 69 7.775 -24.903 -14.596 1.00 0.00 H new ATOM 0 HA SER A 69 9.068 -26.617 -16.472 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.142 -24.645 -17.186 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.686 -24.016 -16.440 1.00 0.00 H new ATOM 0 HG SER A 69 10.096 -22.888 -15.279 1.00 0.00 H new ATOM 1109 N SER A 70 11.715 -26.176 -15.399 1.00 0.00 N ATOM 1110 CA SER A 70 12.946 -26.654 -14.705 1.00 0.00 C ATOM 1111 C SER A 70 13.637 -25.474 -14.017 1.00 0.00 C ATOM 1112 O SER A 70 13.388 -24.327 -14.332 1.00 0.00 O ATOM 1113 CB SER A 70 13.899 -27.276 -15.727 1.00 0.00 C ATOM 1114 OG SER A 70 13.840 -26.531 -16.937 1.00 0.00 O ATOM 0 H SER A 70 11.877 -25.643 -16.253 1.00 0.00 H new ATOM 0 HA SER A 70 12.674 -27.401 -13.959 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.917 -27.279 -15.337 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.625 -28.315 -15.912 1.00 0.00 H new ATOM 0 HG SER A 70 14.436 -25.756 -16.873 1.00 0.00 H new ATOM 1120 N GLN A 71 14.504 -25.747 -13.079 1.00 0.00 N ATOM 1121 CA GLN A 71 15.211 -24.640 -12.373 1.00 0.00 C ATOM 1122 C GLN A 71 15.808 -23.680 -13.402 1.00 0.00 C ATOM 1123 O GLN A 71 15.624 -22.479 -13.328 1.00 0.00 O ATOM 1124 CB GLN A 71 16.330 -25.220 -11.506 1.00 0.00 C ATOM 1125 CG GLN A 71 15.721 -26.023 -10.354 1.00 0.00 C ATOM 1126 CD GLN A 71 15.941 -25.276 -9.038 1.00 0.00 C ATOM 1127 OE1 GLN A 71 16.391 -25.851 -8.067 1.00 0.00 O ATOM 1128 NE2 GLN A 71 15.641 -24.008 -8.963 1.00 0.00 N ATOM 0 H GLN A 71 14.753 -26.687 -12.772 1.00 0.00 H new ATOM 0 HA GLN A 71 14.505 -24.102 -11.741 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.976 -25.860 -12.108 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.953 -24.417 -11.113 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.655 -26.173 -10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.178 -27.011 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.263 -23.524 -9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.784 -23.501 -8.090 1.00 0.00 H new ATOM 1137 N ASP A 72 16.521 -24.195 -14.366 1.00 0.00 N ATOM 1138 CA ASP A 72 17.121 -23.305 -15.397 1.00 0.00 C ATOM 1139 C ASP A 72 16.018 -22.450 -16.015 1.00 0.00 C ATOM 1140 O ASP A 72 16.202 -21.277 -16.271 1.00 0.00 O ATOM 1141 CB ASP A 72 17.788 -24.151 -16.483 1.00 0.00 C ATOM 1142 CG ASP A 72 16.744 -25.057 -17.139 1.00 0.00 C ATOM 1143 OD1 ASP A 72 16.119 -25.821 -16.423 1.00 0.00 O ATOM 1144 OD2 ASP A 72 16.590 -24.971 -18.346 1.00 0.00 O ATOM 0 H ASP A 72 16.713 -25.190 -14.483 1.00 0.00 H new ATOM 0 HA ASP A 72 17.872 -22.662 -14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 72 18.246 -23.505 -17.232 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.587 -24.753 -16.050 1.00 0.00 H new ATOM 1149 N GLU A 73 14.867 -23.020 -16.245 1.00 0.00 N ATOM 1150 CA GLU A 73 13.759 -22.221 -16.830 1.00 0.00 C ATOM 1151 C GLU A 73 13.522 -21.009 -15.939 1.00 0.00 C ATOM 1152 O GLU A 73 13.296 -19.917 -16.414 1.00 0.00 O ATOM 1153 CB GLU A 73 12.489 -23.072 -16.908 1.00 0.00 C ATOM 1154 CG GLU A 73 12.120 -23.303 -18.376 1.00 0.00 C ATOM 1155 CD GLU A 73 13.371 -23.699 -19.165 1.00 0.00 C ATOM 1156 OE1 GLU A 73 14.036 -24.634 -18.753 1.00 0.00 O ATOM 1157 OE2 GLU A 73 13.641 -23.059 -20.169 1.00 0.00 O ATOM 0 H GLU A 73 14.649 -23.998 -16.054 1.00 0.00 H new ATOM 0 HA GLU A 73 14.019 -21.898 -17.838 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.647 -24.027 -16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.671 -22.572 -16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.366 -24.087 -18.453 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.683 -22.398 -18.798 1.00 0.00 H new ATOM 1164 N GLN A 74 13.601 -21.182 -14.649 1.00 0.00 N ATOM 1165 CA GLN A 74 13.409 -20.020 -13.744 1.00 0.00 C ATOM 1166 C GLN A 74 14.479 -18.985 -14.086 1.00 0.00 C ATOM 1167 O GLN A 74 14.233 -17.795 -14.087 1.00 0.00 O ATOM 1168 CB GLN A 74 13.560 -20.466 -12.286 1.00 0.00 C ATOM 1169 CG GLN A 74 13.795 -19.245 -11.391 1.00 0.00 C ATOM 1170 CD GLN A 74 15.291 -18.928 -11.343 1.00 0.00 C ATOM 1171 OE1 GLN A 74 15.693 -17.805 -11.571 1.00 0.00 O ATOM 1172 NE2 GLN A 74 16.138 -19.878 -11.055 1.00 0.00 N ATOM 0 H GLN A 74 13.789 -22.072 -14.187 1.00 0.00 H new ATOM 0 HA GLN A 74 12.413 -19.595 -13.871 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.664 -20.997 -11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.394 -21.162 -12.194 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.243 -18.387 -11.775 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.421 -19.440 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.801 -20.821 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 74 17.137 -19.677 -11.021 1.00 0.00 H new ATOM 1181 N GLY A 75 15.668 -19.437 -14.393 1.00 0.00 N ATOM 1182 CA GLY A 75 16.752 -18.485 -14.754 1.00 0.00 C ATOM 1183 C GLY A 75 16.431 -17.857 -16.111 1.00 0.00 C ATOM 1184 O GLY A 75 16.868 -16.767 -16.421 1.00 0.00 O ATOM 0 H GLY A 75 15.931 -20.422 -14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.842 -17.710 -13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.710 -19.003 -14.796 1.00 0.00 H new ATOM 1188 N ALA A 76 15.664 -18.537 -16.923 1.00 0.00 N ATOM 1189 CA ALA A 76 15.307 -17.981 -18.258 1.00 0.00 C ATOM 1190 C ALA A 76 14.297 -16.850 -18.078 1.00 0.00 C ATOM 1191 O ALA A 76 14.543 -15.727 -18.456 1.00 0.00 O ATOM 1192 CB ALA A 76 14.692 -19.083 -19.125 1.00 0.00 C ATOM 0 H ALA A 76 15.270 -19.455 -16.717 1.00 0.00 H new ATOM 0 HA ALA A 76 16.203 -17.597 -18.745 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.431 -18.675 -20.101 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.412 -19.892 -19.250 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.794 -19.468 -18.641 1.00 0.00 H new ATOM 1198 N ALA A 77 13.165 -17.132 -17.498 1.00 0.00 N ATOM 1199 CA ALA A 77 12.153 -16.059 -17.292 1.00 0.00 C ATOM 1200 C ALA A 77 12.836 -14.848 -16.652 1.00 0.00 C ATOM 1201 O ALA A 77 12.533 -13.713 -16.963 1.00 0.00 O ATOM 1202 CB ALA A 77 11.046 -16.569 -16.367 1.00 0.00 C ATOM 0 H ALA A 77 12.897 -18.056 -17.158 1.00 0.00 H new ATOM 0 HA ALA A 77 11.717 -15.775 -18.250 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.306 -15.783 -16.217 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.566 -17.438 -16.818 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.476 -16.851 -15.406 1.00 0.00 H new ATOM 1208 N ALA A 78 13.762 -15.084 -15.762 1.00 0.00 N ATOM 1209 CA ALA A 78 14.470 -13.952 -15.103 1.00 0.00 C ATOM 1210 C ALA A 78 15.424 -13.298 -16.106 1.00 0.00 C ATOM 1211 O ALA A 78 15.629 -12.101 -16.091 1.00 0.00 O ATOM 1212 CB ALA A 78 15.269 -14.474 -13.907 1.00 0.00 C ATOM 0 H ALA A 78 14.058 -16.013 -15.463 1.00 0.00 H new ATOM 0 HA ALA A 78 13.741 -13.218 -14.759 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.787 -13.645 -13.425 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.591 -14.942 -13.193 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.999 -15.208 -14.249 1.00 0.00 H new ATOM 1218 N ILE A 79 16.008 -14.076 -16.978 1.00 0.00 N ATOM 1219 CA ILE A 79 16.945 -13.497 -17.981 1.00 0.00 C ATOM 1220 C ILE A 79 16.182 -12.534 -18.894 1.00 0.00 C ATOM 1221 O ILE A 79 16.600 -11.415 -19.114 1.00 0.00 O ATOM 1222 CB ILE A 79 17.562 -14.621 -18.817 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.594 -15.374 -17.974 1.00 0.00 C ATOM 1224 CG2 ILE A 79 18.253 -14.024 -20.045 1.00 0.00 C ATOM 1225 CD1 ILE A 79 18.658 -16.834 -18.426 1.00 0.00 C ATOM 0 H ILE A 79 15.876 -15.086 -17.038 1.00 0.00 H new ATOM 0 HA ILE A 79 17.739 -12.956 -17.467 1.00 0.00 H new ATOM 0 HB ILE A 79 16.778 -15.307 -19.137 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.574 -14.907 -18.078 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.326 -15.321 -16.919 1.00 0.00 H new ATOM 0 HG21 ILE A 79 18.692 -14.824 -20.640 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.522 -13.483 -20.647 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.037 -13.338 -19.724 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.393 -17.369 -17.825 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.679 -17.297 -18.300 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.947 -16.877 -19.476 1.00 0.00 H new ATOM 1237 N TYR A 80 15.062 -12.952 -19.424 1.00 0.00 N ATOM 1238 CA TYR A 80 14.283 -12.044 -20.309 1.00 0.00 C ATOM 1239 C TYR A 80 13.927 -10.783 -19.523 1.00 0.00 C ATOM 1240 O TYR A 80 13.997 -9.680 -20.028 1.00 0.00 O ATOM 1241 CB TYR A 80 13.000 -12.744 -20.760 1.00 0.00 C ATOM 1242 CG TYR A 80 13.348 -14.040 -21.455 1.00 0.00 C ATOM 1243 CD1 TYR A 80 14.291 -14.048 -22.490 1.00 0.00 C ATOM 1244 CD2 TYR A 80 12.726 -15.232 -21.065 1.00 0.00 C ATOM 1245 CE1 TYR A 80 14.612 -15.249 -23.135 1.00 0.00 C ATOM 1246 CE2 TYR A 80 13.048 -16.433 -21.709 1.00 0.00 C ATOM 1247 CZ TYR A 80 13.991 -16.442 -22.744 1.00 0.00 C ATOM 1248 OH TYR A 80 14.308 -17.625 -23.379 1.00 0.00 O ATOM 0 H TYR A 80 14.657 -13.877 -19.282 1.00 0.00 H new ATOM 0 HA TYR A 80 14.874 -11.783 -21.187 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.360 -12.941 -19.900 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.438 -12.097 -21.434 1.00 0.00 H new ATOM 0 HD1 TYR A 80 14.771 -13.128 -22.791 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.998 -15.225 -20.267 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.339 -15.255 -23.934 1.00 0.00 H new ATOM 0 HE2 TYR A 80 12.569 -17.353 -21.407 1.00 0.00 H new ATOM 0 HH TYR A 80 13.788 -18.357 -22.986 1.00 0.00 H new ATOM 1258 N THR A 81 13.555 -10.941 -18.282 1.00 0.00 N ATOM 1259 CA THR A 81 13.204 -9.759 -17.449 1.00 0.00 C ATOM 1260 C THR A 81 14.476 -8.960 -17.162 1.00 0.00 C ATOM 1261 O THR A 81 14.435 -7.784 -16.865 1.00 0.00 O ATOM 1262 CB THR A 81 12.591 -10.238 -16.131 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.275 -10.717 -16.370 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.542 -9.081 -15.131 1.00 0.00 C ATOM 0 H THR A 81 13.479 -11.841 -17.809 1.00 0.00 H new ATOM 0 HA THR A 81 12.486 -9.130 -17.975 1.00 0.00 H new ATOM 0 HB THR A 81 13.203 -11.041 -15.719 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.171 -11.603 -15.965 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.105 -9.428 -14.195 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.553 -8.716 -14.947 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.934 -8.273 -15.538 1.00 0.00 H new ATOM 1272 N THR A 82 15.606 -9.603 -17.253 1.00 0.00 N ATOM 1273 CA THR A 82 16.895 -8.904 -16.991 1.00 0.00 C ATOM 1274 C THR A 82 17.379 -8.234 -18.280 1.00 0.00 C ATOM 1275 O THR A 82 18.210 -7.348 -18.256 1.00 0.00 O ATOM 1276 CB THR A 82 17.933 -9.929 -16.516 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.697 -10.237 -15.149 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.345 -9.363 -16.675 1.00 0.00 C ATOM 0 H THR A 82 15.693 -10.589 -17.499 1.00 0.00 H new ATOM 0 HA THR A 82 16.757 -8.144 -16.222 1.00 0.00 H new ATOM 0 HB THR A 82 17.844 -10.833 -17.119 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.982 -10.904 -15.083 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.073 -10.100 -16.335 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.528 -9.130 -17.724 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.442 -8.455 -16.080 1.00 0.00 H new ATOM 1286 N GLN A 83 16.867 -8.651 -19.405 1.00 0.00 N ATOM 1287 CA GLN A 83 17.302 -8.040 -20.693 1.00 0.00 C ATOM 1288 C GLN A 83 16.406 -6.845 -21.021 1.00 0.00 C ATOM 1289 O GLN A 83 16.852 -5.856 -21.567 1.00 0.00 O ATOM 1290 CB GLN A 83 17.198 -9.078 -21.812 1.00 0.00 C ATOM 1291 CG GLN A 83 18.395 -10.028 -21.738 1.00 0.00 C ATOM 1292 CD GLN A 83 19.219 -9.914 -23.023 1.00 0.00 C ATOM 1293 OE1 GLN A 83 20.235 -9.248 -23.048 1.00 0.00 O ATOM 1294 NE2 GLN A 83 18.821 -10.538 -24.096 1.00 0.00 N ATOM 0 H GLN A 83 16.167 -9.388 -19.488 1.00 0.00 H new ATOM 0 HA GLN A 83 18.335 -7.705 -20.604 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.268 -9.639 -21.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.173 -8.582 -22.782 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.013 -9.784 -20.874 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.051 -11.054 -21.604 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.968 -11.097 -24.074 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.363 -10.467 -24.957 1.00 0.00 H new ATOM 1303 N MET A 84 15.146 -6.925 -20.693 1.00 0.00 N ATOM 1304 CA MET A 84 14.227 -5.788 -20.990 1.00 0.00 C ATOM 1305 C MET A 84 14.355 -4.729 -19.894 1.00 0.00 C ATOM 1306 O MET A 84 13.880 -3.619 -20.030 1.00 0.00 O ATOM 1307 CB MET A 84 12.783 -6.294 -21.049 1.00 0.00 C ATOM 1308 CG MET A 84 12.408 -6.948 -19.719 1.00 0.00 C ATOM 1309 SD MET A 84 11.294 -8.340 -20.026 1.00 0.00 S ATOM 1310 CE MET A 84 10.012 -7.418 -20.909 1.00 0.00 C ATOM 0 H MET A 84 14.713 -7.726 -20.233 1.00 0.00 H new ATOM 0 HA MET A 84 14.494 -5.349 -21.952 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.106 -5.466 -21.261 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.673 -7.012 -21.862 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.305 -7.293 -19.205 1.00 0.00 H new ATOM 0 HG3 MET A 84 11.927 -6.220 -19.066 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.056 -7.547 -20.401 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.273 -6.360 -20.929 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.933 -7.791 -21.930 1.00 0.00 H new ATOM 1320 N ASP A 85 15.000 -5.060 -18.808 1.00 0.00 N ATOM 1321 CA ASP A 85 15.162 -4.070 -17.707 1.00 0.00 C ATOM 1322 C ASP A 85 16.304 -3.111 -18.052 1.00 0.00 C ATOM 1323 O ASP A 85 16.244 -1.931 -17.769 1.00 0.00 O ATOM 1324 CB ASP A 85 15.487 -4.803 -16.403 1.00 0.00 C ATOM 1325 CG ASP A 85 15.271 -3.858 -15.220 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.865 -2.792 -15.223 1.00 0.00 O ATOM 1327 OD2 ASP A 85 14.517 -4.217 -14.330 1.00 0.00 O ATOM 0 H ASP A 85 15.421 -5.973 -18.637 1.00 0.00 H new ATOM 0 HA ASP A 85 14.237 -3.507 -17.584 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.852 -5.683 -16.300 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.519 -5.154 -16.418 1.00 0.00 H new ATOM 1332 N GLU A 86 17.343 -3.609 -18.665 1.00 0.00 N ATOM 1333 CA GLU A 86 18.486 -2.726 -19.033 1.00 0.00 C ATOM 1334 C GLU A 86 18.249 -2.150 -20.429 1.00 0.00 C ATOM 1335 O GLU A 86 18.695 -1.067 -20.750 1.00 0.00 O ATOM 1336 CB GLU A 86 19.783 -3.539 -19.028 1.00 0.00 C ATOM 1337 CG GLU A 86 20.695 -3.039 -17.906 1.00 0.00 C ATOM 1338 CD GLU A 86 22.029 -3.785 -17.961 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.068 -4.847 -18.560 1.00 0.00 O ATOM 1340 OE2 GLU A 86 22.991 -3.281 -17.402 1.00 0.00 O ATOM 0 H GLU A 86 17.450 -4.589 -18.927 1.00 0.00 H new ATOM 0 HA GLU A 86 18.567 -1.913 -18.311 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.561 -4.597 -18.886 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.287 -3.445 -19.990 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.862 -1.967 -18.009 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.218 -3.196 -16.938 1.00 0.00 H new ATOM 1347 N TYR A 87 17.545 -2.866 -21.263 1.00 0.00 N ATOM 1348 CA TYR A 87 17.273 -2.362 -22.638 1.00 0.00 C ATOM 1349 C TYR A 87 16.187 -1.287 -22.575 1.00 0.00 C ATOM 1350 O TYR A 87 16.145 -0.383 -23.387 1.00 0.00 O ATOM 1351 CB TYR A 87 16.787 -3.513 -23.519 1.00 0.00 C ATOM 1352 CG TYR A 87 17.937 -4.049 -24.335 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.637 -3.199 -25.198 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.300 -5.397 -24.230 1.00 0.00 C ATOM 1355 CE1 TYR A 87 19.701 -3.697 -25.958 1.00 0.00 C ATOM 1356 CE2 TYR A 87 19.365 -5.895 -24.989 1.00 0.00 C ATOM 1357 CZ TYR A 87 20.066 -5.045 -25.855 1.00 0.00 C ATOM 1358 OH TYR A 87 21.116 -5.535 -26.604 1.00 0.00 O ATOM 0 H TYR A 87 17.146 -3.780 -21.050 1.00 0.00 H new ATOM 0 HA TYR A 87 18.187 -1.942 -23.058 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.367 -4.306 -22.900 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.990 -3.168 -24.178 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.356 -2.159 -25.278 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.758 -6.052 -23.564 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.241 -3.041 -26.625 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.647 -6.934 -24.907 1.00 0.00 H new ATOM 0 HH TYR A 87 21.238 -6.488 -26.412 1.00 0.00 H new ATOM 1368 N LEU A 88 15.305 -1.384 -21.619 1.00 0.00 N ATOM 1369 CA LEU A 88 14.217 -0.375 -21.504 1.00 0.00 C ATOM 1370 C LEU A 88 14.793 0.954 -21.008 1.00 0.00 C ATOM 1371 O LEU A 88 14.092 1.940 -20.893 1.00 0.00 O ATOM 1372 CB LEU A 88 13.163 -0.881 -20.518 1.00 0.00 C ATOM 1373 CG LEU A 88 12.131 -1.726 -21.269 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.469 -2.712 -20.304 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.068 -0.804 -21.868 1.00 0.00 C ATOM 0 H LEU A 88 15.291 -2.119 -20.912 1.00 0.00 H new ATOM 0 HA LEU A 88 13.759 -0.221 -22.481 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.636 -1.475 -19.736 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.673 -0.039 -20.028 1.00 0.00 H new ATOM 0 HG LEU A 88 12.626 -2.283 -22.065 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.735 -3.311 -20.843 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.228 -3.367 -19.875 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.972 -2.161 -19.505 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.330 -1.400 -22.404 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.576 -0.249 -21.069 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.540 -0.104 -22.558 1.00 0.00 H new ATOM 1387 N GLY A 89 16.064 0.991 -20.714 1.00 0.00 N ATOM 1388 CA GLY A 89 16.680 2.259 -20.228 1.00 0.00 C ATOM 1389 C GLY A 89 16.879 2.185 -18.714 1.00 0.00 C ATOM 1390 O GLY A 89 16.933 3.191 -18.035 1.00 0.00 O ATOM 0 H GLY A 89 16.702 0.199 -20.789 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.637 2.423 -20.723 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.041 3.105 -20.480 1.00 0.00 H new ATOM 1394 N SER A 90 16.986 1.000 -18.178 1.00 0.00 N ATOM 1395 CA SER A 90 17.180 0.864 -16.707 1.00 0.00 C ATOM 1396 C SER A 90 16.039 1.576 -15.978 1.00 0.00 C ATOM 1397 O SER A 90 16.132 1.879 -14.804 1.00 0.00 O ATOM 1398 CB SER A 90 18.515 1.494 -16.309 1.00 0.00 C ATOM 1399 OG SER A 90 19.186 0.632 -15.398 1.00 0.00 O ATOM 0 H SER A 90 16.948 0.121 -18.695 1.00 0.00 H new ATOM 0 HA SER A 90 17.183 -0.191 -16.434 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.131 1.659 -17.193 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.348 2.469 -15.850 1.00 0.00 H new ATOM 0 HG SER A 90 20.043 1.031 -15.141 1.00 0.00 H new ATOM 1405 N VAL A 91 14.962 1.844 -16.663 1.00 0.00 N ATOM 1406 CA VAL A 91 13.813 2.533 -16.012 1.00 0.00 C ATOM 1407 C VAL A 91 12.788 1.491 -15.565 1.00 0.00 C ATOM 1408 O VAL A 91 11.898 1.771 -14.788 1.00 0.00 O ATOM 1409 CB VAL A 91 13.163 3.493 -17.009 1.00 0.00 C ATOM 1410 CG1 VAL A 91 14.082 4.695 -17.234 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.939 2.769 -18.338 1.00 0.00 C ATOM 0 H VAL A 91 14.828 1.615 -17.648 1.00 0.00 H new ATOM 0 HA VAL A 91 14.165 3.094 -15.147 1.00 0.00 H new ATOM 0 HB VAL A 91 12.207 3.836 -16.614 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.619 5.379 -17.945 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.245 5.210 -16.288 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.038 4.353 -17.630 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.476 3.451 -19.051 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.896 2.428 -18.732 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.285 1.911 -18.179 1.00 0.00 H new ATOM 1421 N ALA A 92 12.907 0.287 -16.055 1.00 0.00 N ATOM 1422 CA ALA A 92 11.942 -0.777 -15.664 1.00 0.00 C ATOM 1423 C ALA A 92 12.286 -1.286 -14.264 1.00 0.00 C ATOM 1424 O ALA A 92 13.363 -1.051 -13.753 1.00 0.00 O ATOM 1425 CB ALA A 92 12.028 -1.934 -16.660 1.00 0.00 C ATOM 0 H ALA A 92 13.632 -0.005 -16.710 1.00 0.00 H new ATOM 0 HA ALA A 92 10.931 -0.369 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.322 -2.713 -16.374 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.785 -1.573 -17.659 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.039 -2.342 -16.658 1.00 0.00 H new ATOM 1431 N VAL A 93 11.378 -1.985 -13.646 1.00 0.00 N ATOM 1432 CA VAL A 93 11.645 -2.515 -12.281 1.00 0.00 C ATOM 1433 C VAL A 93 11.706 -4.039 -12.338 1.00 0.00 C ATOM 1434 O VAL A 93 11.565 -4.637 -13.386 1.00 0.00 O ATOM 1435 CB VAL A 93 10.512 -2.097 -11.345 1.00 0.00 C ATOM 1436 CG1 VAL A 93 10.997 -2.168 -9.897 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.081 -0.667 -11.673 1.00 0.00 C ATOM 0 H VAL A 93 10.460 -2.213 -14.028 1.00 0.00 H new ATOM 0 HA VAL A 93 12.592 -2.119 -11.914 1.00 0.00 H new ATOM 0 HB VAL A 93 9.664 -2.769 -11.476 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.190 -1.870 -9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.302 -3.188 -9.665 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.845 -1.496 -9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.273 -0.368 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.927 0.007 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.735 -0.619 -12.706 1.00 0.00 H new ATOM 1447 N GLN A 94 11.904 -4.677 -11.220 1.00 0.00 N ATOM 1448 CA GLN A 94 11.955 -6.160 -11.222 1.00 0.00 C ATOM 1449 C GLN A 94 11.075 -6.691 -10.091 1.00 0.00 C ATOM 1450 O GLN A 94 11.088 -6.180 -8.988 1.00 0.00 O ATOM 1451 CB GLN A 94 13.397 -6.629 -11.021 1.00 0.00 C ATOM 1452 CG GLN A 94 13.583 -8.000 -11.673 1.00 0.00 C ATOM 1453 CD GLN A 94 14.932 -8.588 -11.254 1.00 0.00 C ATOM 1454 OE1 GLN A 94 15.007 -9.363 -10.322 1.00 0.00 O ATOM 1455 NE2 GLN A 94 16.009 -8.248 -11.909 1.00 0.00 N ATOM 0 H GLN A 94 12.032 -4.236 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 94 11.591 -6.538 -12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.089 -5.909 -11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.627 -6.686 -9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.775 -8.668 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.536 -7.907 -12.758 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.946 -7.597 -12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.914 -8.633 -11.638 1.00 0.00 H new ATOM 1464 N HIS A 95 10.301 -7.706 -10.356 1.00 0.00 N ATOM 1465 CA HIS A 95 9.411 -8.258 -9.296 1.00 0.00 C ATOM 1466 C HIS A 95 9.445 -9.788 -9.349 1.00 0.00 C ATOM 1467 O HIS A 95 9.714 -10.377 -10.376 1.00 0.00 O ATOM 1468 CB HIS A 95 7.988 -7.758 -9.536 1.00 0.00 C ATOM 1469 CG HIS A 95 8.043 -6.334 -10.027 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.143 -5.811 -11.288 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.013 -5.244 -9.168 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.178 -4.423 -11.225 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.097 -4.131 -9.927 1.00 0.00 N flip ATOM 0 H HIS A 95 10.246 -8.177 -11.259 1.00 0.00 H new ATOM 0 HA HIS A 95 9.751 -7.930 -8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.486 -8.390 -10.269 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.408 -7.816 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.937 -5.280 -8.091 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.254 -3.730 -12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.098 -3.182 -9.553 1.00 0.00 H new ATOM 1481 N ARG A 96 9.188 -10.436 -8.243 1.00 0.00 N ATOM 1482 CA ARG A 96 9.227 -11.927 -8.230 1.00 0.00 C ATOM 1483 C ARG A 96 7.824 -12.502 -8.031 1.00 0.00 C ATOM 1484 O ARG A 96 7.017 -11.967 -7.296 1.00 0.00 O ATOM 1485 CB ARG A 96 10.124 -12.392 -7.082 1.00 0.00 C ATOM 1486 CG ARG A 96 9.453 -12.067 -5.746 1.00 0.00 C ATOM 1487 CD ARG A 96 10.316 -12.594 -4.599 1.00 0.00 C ATOM 1488 NE ARG A 96 10.413 -14.078 -4.693 1.00 0.00 N ATOM 1489 CZ ARG A 96 11.285 -14.722 -3.964 1.00 0.00 C ATOM 1490 NH1 ARG A 96 10.978 -15.089 -2.751 1.00 0.00 N ATOM 1491 NH2 ARG A 96 12.464 -14.999 -4.451 1.00 0.00 N ATOM 0 H ARG A 96 8.954 -9.999 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 96 9.618 -12.277 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.305 -13.464 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.095 -11.900 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.317 -10.990 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.462 -12.518 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.310 -12.150 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.882 -12.307 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 96 9.799 -14.591 -5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.056 -14.873 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.659 -15.592 -2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.704 -14.713 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.145 -15.502 -3.882 1.00 0.00 H new ATOM 1505 N GLU A 97 7.537 -13.606 -8.669 1.00 0.00 N ATOM 1506 CA GLU A 97 6.200 -14.243 -8.512 1.00 0.00 C ATOM 1507 C GLU A 97 6.341 -15.755 -8.706 1.00 0.00 C ATOM 1508 O GLU A 97 7.340 -16.235 -9.204 1.00 0.00 O ATOM 1509 CB GLU A 97 5.224 -13.685 -9.548 1.00 0.00 C ATOM 1510 CG GLU A 97 5.191 -12.158 -9.456 1.00 0.00 C ATOM 1511 CD GLU A 97 4.590 -11.741 -8.112 1.00 0.00 C ATOM 1512 OE1 GLU A 97 4.277 -12.621 -7.327 1.00 0.00 O ATOM 1513 OE2 GLU A 97 4.453 -10.548 -7.891 1.00 0.00 O ATOM 0 H GLU A 97 8.176 -14.095 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 97 5.815 -14.029 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.527 -13.992 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.227 -14.091 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.199 -11.755 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.600 -11.746 -10.274 1.00 0.00 H new ATOM 1520 N VAL A 98 5.357 -16.511 -8.301 1.00 0.00 N ATOM 1521 CA VAL A 98 5.443 -17.991 -8.444 1.00 0.00 C ATOM 1522 C VAL A 98 4.023 -18.570 -8.514 1.00 0.00 C ATOM 1523 O VAL A 98 3.060 -17.843 -8.642 1.00 0.00 O ATOM 1524 CB VAL A 98 6.172 -18.548 -7.220 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.760 -19.918 -7.542 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.306 -17.598 -6.825 1.00 0.00 C ATOM 0 H VAL A 98 4.496 -16.166 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 98 5.983 -18.260 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 98 5.463 -18.642 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.277 -20.307 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.958 -20.601 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.465 -19.826 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.826 -17.995 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.008 -17.504 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.893 -16.618 -6.587 1.00 0.00 H new ATOM 1536 N GLN A 99 3.877 -19.869 -8.426 1.00 0.00 N ATOM 1537 CA GLN A 99 2.509 -20.469 -8.490 1.00 0.00 C ATOM 1538 C GLN A 99 1.746 -20.189 -7.194 1.00 0.00 C ATOM 1539 O GLN A 99 0.611 -20.588 -7.026 1.00 0.00 O ATOM 1540 CB GLN A 99 2.619 -21.980 -8.708 1.00 0.00 C ATOM 1541 CG GLN A 99 3.224 -22.633 -7.463 1.00 0.00 C ATOM 1542 CD GLN A 99 3.047 -24.150 -7.546 1.00 0.00 C ATOM 1543 OE1 GLN A 99 3.101 -24.739 -8.709 1.00 0.00 O flip ATOM 1544 NE2 GLN A 99 2.859 -24.807 -6.541 1.00 0.00 N flip ATOM 0 H GLN A 99 4.641 -20.536 -8.313 1.00 0.00 H new ATOM 0 HA GLN A 99 1.966 -20.021 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.634 -22.401 -8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.240 -22.188 -9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.282 -22.383 -7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.740 -22.248 -6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.817 -24.347 -5.632 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.744 -25.818 -6.607 1.00 0.00 H new ATOM 1553 N GLY A 100 2.360 -19.494 -6.290 1.00 0.00 N ATOM 1554 CA GLY A 100 1.693 -19.156 -5.002 1.00 0.00 C ATOM 1555 C GLY A 100 2.244 -17.816 -4.515 1.00 0.00 C ATOM 1556 O GLY A 100 2.158 -17.478 -3.351 1.00 0.00 O ATOM 0 H GLY A 100 3.311 -19.138 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.613 -19.096 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.879 -19.935 -4.262 1.00 0.00 H new ATOM 1560 N HIS A 101 2.822 -17.060 -5.408 1.00 0.00 N ATOM 1561 CA HIS A 101 3.402 -15.745 -5.026 1.00 0.00 C ATOM 1562 C HIS A 101 2.806 -14.640 -5.905 1.00 0.00 C ATOM 1563 O HIS A 101 2.931 -13.467 -5.615 1.00 0.00 O ATOM 1564 CB HIS A 101 4.916 -15.800 -5.239 1.00 0.00 C ATOM 1565 CG HIS A 101 5.569 -16.447 -4.049 1.00 0.00 C ATOM 1566 ND1 HIS A 101 6.188 -17.663 -3.891 1.00 0.00 N flip ATOM 1567 CD2 HIS A 101 5.635 -15.825 -2.812 1.00 0.00 C flip ATOM 1568 CE1 HIS A 101 6.632 -17.795 -2.578 1.00 0.00 C flip ATOM 1569 NE2 HIS A 101 6.273 -16.660 -1.972 1.00 0.00 N flip ATOM 0 H HIS A 101 2.917 -17.301 -6.395 1.00 0.00 H new ATOM 0 HA HIS A 101 3.175 -15.530 -3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.146 -16.363 -6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.310 -14.794 -5.381 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.245 -14.848 -2.567 1.00 0.00 H new ATOM 0 HE1 HIS A 101 7.154 -18.634 -2.143 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.460 -16.452 -0.991 1.00 0.00 H new ATOM 1577 N GLU A 102 2.168 -15.007 -6.984 1.00 0.00 N ATOM 1578 CA GLU A 102 1.575 -13.983 -7.889 1.00 0.00 C ATOM 1579 C GLU A 102 0.131 -13.685 -7.459 1.00 0.00 C ATOM 1580 O GLU A 102 -0.709 -13.347 -8.267 1.00 0.00 O ATOM 1581 CB GLU A 102 1.607 -14.521 -9.328 1.00 0.00 C ATOM 1582 CG GLU A 102 0.359 -15.372 -9.618 1.00 0.00 C ATOM 1583 CD GLU A 102 0.090 -16.311 -8.441 1.00 0.00 C ATOM 1584 OE1 GLU A 102 0.824 -17.273 -8.294 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -0.848 -16.051 -7.705 1.00 0.00 O ATOM 0 H GLU A 102 2.032 -15.974 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 102 2.147 -13.057 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.658 -13.690 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.505 -15.121 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.503 -14.726 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.505 -15.950 -10.531 1.00 0.00 H new ATOM 1592 N SER A 103 -0.160 -13.824 -6.194 1.00 0.00 N ATOM 1593 CA SER A 103 -1.547 -13.577 -5.696 1.00 0.00 C ATOM 1594 C SER A 103 -2.028 -12.161 -6.070 1.00 0.00 C ATOM 1595 O SER A 103 -1.929 -11.740 -7.204 1.00 0.00 O ATOM 1596 CB SER A 103 -1.562 -13.752 -4.176 1.00 0.00 C ATOM 1597 OG SER A 103 -0.855 -12.676 -3.573 1.00 0.00 O ATOM 0 H SER A 103 0.510 -14.101 -5.476 1.00 0.00 H new ATOM 0 HA SER A 103 -2.225 -14.291 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.589 -13.777 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.103 -14.702 -3.903 1.00 0.00 H new ATOM 0 HG SER A 103 -1.195 -12.529 -2.666 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.571 -11.429 -5.128 1.00 0.00 N ATOM 1604 CA GLU A 104 -3.080 -10.057 -5.429 1.00 0.00 C ATOM 1605 C GLU A 104 -2.136 -9.316 -6.382 1.00 0.00 C ATOM 1606 O GLU A 104 -2.543 -8.406 -7.074 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.198 -9.267 -4.123 1.00 0.00 C ATOM 1608 CG GLU A 104 -1.822 -9.170 -3.459 1.00 0.00 C ATOM 1609 CD GLU A 104 -1.766 -10.119 -2.261 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -2.749 -10.194 -1.542 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -0.739 -10.755 -2.082 1.00 0.00 O ATOM 0 H GLU A 104 -2.683 -11.726 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.055 -10.147 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.588 -8.269 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.904 -9.757 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.042 -9.426 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.634 -8.146 -3.135 1.00 0.00 H new ATOM 1618 N THR A 105 -0.884 -9.675 -6.419 1.00 0.00 N ATOM 1619 CA THR A 105 0.066 -8.963 -7.323 1.00 0.00 C ATOM 1620 C THR A 105 -0.283 -9.232 -8.792 1.00 0.00 C ATOM 1621 O THR A 105 -0.622 -8.327 -9.534 1.00 0.00 O ATOM 1622 CB THR A 105 1.491 -9.444 -7.045 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.646 -9.677 -5.651 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.489 -8.378 -7.500 1.00 0.00 C ATOM 0 H THR A 105 -0.476 -10.428 -5.865 1.00 0.00 H new ATOM 0 HA THR A 105 -0.009 -7.892 -7.134 1.00 0.00 H new ATOM 0 HB THR A 105 1.677 -10.369 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.558 -9.987 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.504 -8.722 -7.301 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.369 -8.199 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.306 -7.452 -6.955 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.191 -10.459 -9.233 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.505 -10.747 -10.661 1.00 0.00 C ATOM 1634 C PHE A 106 -1.931 -10.270 -10.943 1.00 0.00 C ATOM 1635 O PHE A 106 -2.193 -9.588 -11.916 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.401 -12.253 -10.918 1.00 0.00 C ATOM 1637 CG PHE A 106 0.354 -12.496 -12.209 1.00 0.00 C ATOM 1638 CD1 PHE A 106 0.345 -11.533 -13.227 1.00 0.00 C ATOM 1639 CD2 PHE A 106 1.088 -13.678 -12.376 1.00 0.00 C ATOM 1640 CE1 PHE A 106 1.066 -11.757 -14.408 1.00 0.00 C ATOM 1641 CE2 PHE A 106 1.813 -13.896 -13.552 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.801 -12.939 -14.567 1.00 0.00 C ATOM 0 H PHE A 106 0.085 -11.265 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 106 0.199 -10.231 -11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.111 -12.740 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.397 -12.692 -10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.217 -10.619 -13.102 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.094 -14.423 -11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.055 -11.018 -15.196 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.382 -14.806 -13.674 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.359 -13.109 -15.476 1.00 0.00 H new ATOM 1652 N ARG A 107 -2.853 -10.609 -10.083 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.257 -10.161 -10.283 1.00 0.00 C ATOM 1654 C ARG A 107 -4.282 -8.633 -10.306 1.00 0.00 C ATOM 1655 O ARG A 107 -5.123 -8.023 -10.935 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.130 -10.673 -9.137 1.00 0.00 C ATOM 1657 CG ARG A 107 -5.858 -11.945 -9.578 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.184 -12.062 -8.824 1.00 0.00 C ATOM 1659 NE ARG A 107 -6.913 -12.269 -7.374 1.00 0.00 N ATOM 1660 CZ ARG A 107 -7.905 -12.356 -6.531 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -8.672 -13.413 -6.532 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -8.132 -11.387 -5.686 1.00 0.00 N ATOM 0 H ARG A 107 -2.693 -11.177 -9.251 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.643 -10.555 -11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.515 -10.879 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.852 -9.910 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.040 -11.919 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.237 -12.819 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.778 -11.160 -8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.767 -12.894 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.952 -12.343 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.496 -14.171 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.448 -13.481 -5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.534 -10.561 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.908 -11.456 -5.027 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.352 -8.010 -9.634 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.310 -6.523 -9.630 1.00 0.00 C ATOM 1678 C ALA A 108 -3.141 -6.049 -11.071 1.00 0.00 C ATOM 1679 O ALA A 108 -3.805 -5.137 -11.523 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.127 -6.037 -8.788 1.00 0.00 C ATOM 0 H ALA A 108 -2.621 -8.467 -9.089 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.230 -6.123 -9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.103 -4.947 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.237 -6.396 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.198 -6.421 -9.209 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.260 -6.679 -11.797 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.046 -6.290 -13.218 1.00 0.00 C ATOM 1688 C TYR A 109 -3.196 -6.839 -14.064 1.00 0.00 C ATOM 1689 O TYR A 109 -3.374 -6.467 -15.208 1.00 0.00 O ATOM 1690 CB TYR A 109 -0.720 -6.875 -13.708 1.00 0.00 C ATOM 1691 CG TYR A 109 0.410 -6.296 -12.893 1.00 0.00 C ATOM 1692 CD1 TYR A 109 0.688 -4.925 -12.955 1.00 0.00 C ATOM 1693 CD2 TYR A 109 1.178 -7.129 -12.071 1.00 0.00 C ATOM 1694 CE1 TYR A 109 1.734 -4.387 -12.196 1.00 0.00 C ATOM 1695 CE2 TYR A 109 2.225 -6.591 -11.312 1.00 0.00 C ATOM 1696 CZ TYR A 109 2.502 -5.220 -11.374 1.00 0.00 C ATOM 1697 OH TYR A 109 3.532 -4.689 -10.624 1.00 0.00 O ATOM 0 H TYR A 109 -1.678 -7.448 -11.466 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.015 -5.204 -13.306 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.732 -7.961 -13.615 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.576 -6.647 -14.764 1.00 0.00 H new ATOM 0 HD1 TYR A 109 0.095 -4.282 -13.589 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.963 -8.186 -12.022 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.948 -3.330 -12.245 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.819 -7.234 -10.679 1.00 0.00 H new ATOM 0 HH TYR A 109 3.974 -5.405 -10.121 1.00 0.00 H new ATOM 1707 N PHE A 110 -3.980 -7.724 -13.508 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.121 -8.300 -14.274 1.00 0.00 C ATOM 1709 C PHE A 110 -6.415 -8.119 -13.482 1.00 0.00 C ATOM 1710 O PHE A 110 -6.659 -8.800 -12.507 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.879 -9.789 -14.496 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.759 -9.978 -15.489 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.450 -9.618 -15.147 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -4.030 -10.516 -16.753 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.412 -9.795 -16.070 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -2.993 -10.693 -17.674 1.00 0.00 C ATOM 1717 CZ PHE A 110 -1.684 -10.333 -17.333 1.00 0.00 C ATOM 0 H PHE A 110 -3.878 -8.073 -12.555 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.205 -7.790 -15.234 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.626 -10.271 -13.552 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.788 -10.265 -14.864 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.241 -9.204 -14.172 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.040 -10.794 -17.016 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.402 -9.517 -15.807 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.202 -11.108 -18.649 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.884 -10.470 -18.045 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.245 -7.206 -13.894 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.523 -6.978 -13.165 1.00 0.00 C ATOM 1729 C LYS A 111 -9.628 -7.866 -13.748 1.00 0.00 C ATOM 1730 O LYS A 111 -10.796 -7.544 -13.663 1.00 0.00 O ATOM 1731 CB LYS A 111 -8.929 -5.509 -13.298 1.00 0.00 C ATOM 1732 CG LYS A 111 -9.267 -5.204 -14.758 1.00 0.00 C ATOM 1733 CD LYS A 111 -8.828 -3.778 -15.096 1.00 0.00 C ATOM 1734 CE LYS A 111 -9.620 -2.784 -14.245 1.00 0.00 C ATOM 1735 NZ LYS A 111 -9.896 -1.555 -15.042 1.00 0.00 N ATOM 0 H LYS A 111 -7.095 -6.606 -14.705 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.382 -7.228 -12.113 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.790 -5.300 -12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.118 -4.864 -12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.766 -5.915 -15.415 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.338 -5.315 -14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.760 -3.661 -14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.991 -3.577 -16.155 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.556 -3.235 -13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.057 -2.529 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.435 -0.879 -14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.997 -1.121 -15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.449 -1.806 -15.886 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.280 -8.983 -14.334 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.332 -9.872 -14.909 1.00 0.00 C ATOM 1751 C GLN A 112 -9.704 -10.908 -15.847 1.00 0.00 C ATOM 1752 O GLN A 112 -9.682 -10.736 -17.050 1.00 0.00 O ATOM 1753 CB GLN A 112 -11.337 -9.026 -15.696 1.00 0.00 C ATOM 1754 CG GLN A 112 -10.594 -7.934 -16.466 1.00 0.00 C ATOM 1755 CD GLN A 112 -11.374 -7.580 -17.733 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -12.252 -6.741 -17.705 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -11.090 -8.190 -18.852 1.00 0.00 N ATOM 0 H GLN A 112 -8.321 -9.315 -14.438 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.836 -10.391 -14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.896 -9.656 -16.387 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.062 -8.577 -15.016 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.476 -7.049 -15.840 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.592 -8.276 -16.727 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.353 -8.895 -18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.605 -7.962 -19.702 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.202 -11.987 -15.310 1.00 0.00 N ATOM 1767 CA GLY A 113 -8.588 -13.036 -16.176 1.00 0.00 C ATOM 1768 C GLY A 113 -7.800 -14.020 -15.310 1.00 0.00 C ATOM 1769 O GLY A 113 -8.331 -14.623 -14.398 1.00 0.00 O ATOM 0 H GLY A 113 -9.190 -12.188 -14.310 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.364 -13.564 -16.730 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -7.929 -12.575 -16.911 1.00 0.00 H new ATOM 1773 N LEU A 114 -6.534 -14.179 -15.589 1.00 0.00 N ATOM 1774 CA LEU A 114 -5.687 -15.109 -14.786 1.00 0.00 C ATOM 1775 C LEU A 114 -6.142 -16.557 -14.970 1.00 0.00 C ATOM 1776 O LEU A 114 -6.308 -17.291 -14.017 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.763 -14.720 -13.304 1.00 0.00 C ATOM 1778 CG LEU A 114 -4.941 -13.444 -13.028 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.537 -13.822 -12.568 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -4.820 -12.568 -14.283 1.00 0.00 C ATOM 0 H LEU A 114 -6.046 -13.700 -16.346 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.657 -15.030 -15.133 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.802 -14.557 -13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.389 -15.539 -12.689 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.462 -12.881 -12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.961 -12.917 -12.375 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.600 -14.414 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.044 -14.406 -13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.235 -11.678 -14.051 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.325 -13.132 -15.074 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.814 -12.271 -14.617 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.307 -16.987 -16.190 1.00 0.00 N ATOM 1793 CA ILE A 115 -6.705 -18.401 -16.424 1.00 0.00 C ATOM 1794 C ILE A 115 -5.418 -19.229 -16.486 1.00 0.00 C ATOM 1795 O ILE A 115 -4.335 -18.689 -16.583 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.508 -18.506 -17.741 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -8.962 -18.867 -17.405 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -6.917 -19.582 -18.669 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.674 -19.398 -18.654 1.00 0.00 C ATOM 0 H ILE A 115 -6.184 -16.423 -17.031 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.345 -18.773 -15.624 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.460 -17.548 -18.258 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.985 -19.619 -16.616 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.484 -17.989 -17.024 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.503 -19.633 -19.587 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.885 -19.327 -18.911 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.944 -20.550 -18.168 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.705 -19.651 -18.405 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.666 -18.633 -19.430 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.159 -20.288 -19.016 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.514 -20.526 -16.430 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.272 -21.340 -16.487 1.00 0.00 C ATOM 1813 C TYR A 116 -4.516 -22.627 -17.272 1.00 0.00 C ATOM 1814 O TYR A 116 -5.376 -23.420 -16.942 1.00 0.00 O ATOM 1815 CB TYR A 116 -3.816 -21.682 -15.069 1.00 0.00 C ATOM 1816 CG TYR A 116 -4.079 -20.510 -14.154 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -3.139 -19.478 -14.051 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -5.261 -20.457 -13.405 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -3.379 -18.393 -13.200 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -5.502 -19.371 -12.554 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.561 -18.339 -12.451 1.00 0.00 C ATOM 1822 OH TYR A 116 -4.799 -17.269 -11.612 1.00 0.00 O ATOM 0 H TYR A 116 -6.385 -21.051 -16.348 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.496 -20.763 -16.990 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.346 -22.563 -14.709 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -2.754 -21.926 -15.067 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.227 -19.519 -14.629 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -5.986 -21.253 -13.484 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -2.653 -17.598 -13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.414 -19.329 -11.977 1.00 0.00 H new ATOM 0 HH TYR A 116 -4.086 -16.605 -11.718 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.753 -22.842 -18.308 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.918 -24.076 -19.120 1.00 0.00 C ATOM 1834 C LYS A 117 -2.804 -25.065 -18.756 1.00 0.00 C ATOM 1835 O LYS A 117 -2.154 -24.926 -17.738 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.839 -23.719 -20.605 1.00 0.00 C ATOM 1837 CG LYS A 117 -5.116 -22.989 -21.022 1.00 0.00 C ATOM 1838 CD LYS A 117 -5.463 -23.349 -22.468 1.00 0.00 C ATOM 1839 CE LYS A 117 -6.966 -23.610 -22.583 1.00 0.00 C ATOM 1840 NZ LYS A 117 -7.230 -25.069 -22.429 1.00 0.00 N ATOM 0 H LYS A 117 -3.018 -22.211 -18.627 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.887 -24.532 -18.916 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.969 -23.089 -20.793 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.713 -24.623 -21.201 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.937 -23.265 -20.361 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.979 -21.912 -20.928 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.172 -22.538 -23.136 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.905 -24.233 -22.778 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.503 -23.050 -21.818 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.333 -23.263 -23.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.252 -25.247 -22.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.729 -25.593 -23.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.894 -25.386 -21.497 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.577 -26.064 -19.566 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.506 -27.053 -19.243 1.00 0.00 C ATOM 1856 C GLN A 118 -0.174 -26.606 -19.853 1.00 0.00 C ATOM 1857 O GLN A 118 -0.133 -25.788 -20.750 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.890 -28.423 -19.807 1.00 0.00 C ATOM 1859 CG GLN A 118 -2.408 -28.258 -21.237 1.00 0.00 C ATOM 1860 CD GLN A 118 -3.921 -28.484 -21.262 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -4.647 -27.750 -21.903 1.00 0.00 O ATOM 1862 NE2 GLN A 118 -4.431 -29.478 -20.587 1.00 0.00 N ATOM 0 H GLN A 118 -3.084 -26.238 -20.434 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.397 -27.118 -18.160 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -1.026 -29.088 -19.796 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.655 -28.884 -19.182 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.173 -27.260 -21.607 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.913 -28.969 -21.899 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.822 -30.095 -20.049 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.438 -29.638 -20.598 1.00 0.00 H new ATOM 1871 N GLY A 119 0.918 -27.141 -19.367 1.00 0.00 N ATOM 1872 CA GLY A 119 2.253 -26.755 -19.911 1.00 0.00 C ATOM 1873 C GLY A 119 2.391 -27.267 -21.347 1.00 0.00 C ATOM 1874 O GLY A 119 1.415 -27.590 -21.994 1.00 0.00 O ATOM 0 H GLY A 119 0.941 -27.830 -18.615 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.366 -25.671 -19.888 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.045 -27.171 -19.288 1.00 0.00 H new ATOM 1878 N GLY A 120 3.595 -27.346 -21.854 1.00 0.00 N ATOM 1879 CA GLY A 120 3.777 -27.838 -23.248 1.00 0.00 C ATOM 1880 C GLY A 120 2.997 -26.940 -24.208 1.00 0.00 C ATOM 1881 O GLY A 120 1.782 -26.913 -24.198 1.00 0.00 O ATOM 0 H GLY A 120 4.453 -27.092 -21.365 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.835 -27.838 -23.510 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.428 -28.867 -23.331 1.00 0.00 H new ATOM 1885 N VAL A 121 3.683 -26.205 -25.037 1.00 0.00 N ATOM 1886 CA VAL A 121 2.991 -25.313 -25.994 1.00 0.00 C ATOM 1887 C VAL A 121 2.740 -26.088 -27.295 1.00 0.00 C ATOM 1888 O VAL A 121 2.513 -27.282 -27.276 1.00 0.00 O ATOM 1889 CB VAL A 121 3.876 -24.078 -26.226 1.00 0.00 C ATOM 1890 CG1 VAL A 121 5.023 -24.416 -27.181 1.00 0.00 C ATOM 1891 CG2 VAL A 121 3.037 -22.927 -26.790 1.00 0.00 C ATOM 0 H VAL A 121 4.701 -26.187 -25.089 1.00 0.00 H new ATOM 0 HA VAL A 121 2.027 -24.980 -25.609 1.00 0.00 H new ATOM 0 HB VAL A 121 4.300 -23.768 -25.271 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.641 -23.531 -27.335 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.631 -25.213 -26.752 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.616 -24.745 -28.137 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.674 -22.057 -26.951 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.592 -23.231 -27.738 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.247 -22.673 -26.084 1.00 0.00 H new