USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1058 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 35 TYR OH : rot 30:sc= -2.25! USER MOD Set 1.2: A 38 HIS : no HD1:sc= -4.92! C(o=-7.2!,f=-6.7!) USER MOD Set 2.1: A 14 GLN :FLIP amide:sc= -1.51! C(o=-6.7!,f=-5.8!) USER MOD Set 2.2: A 15 MET CE :methyl 176:sc= -4.26! (180deg=-4.35!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -173:sc= -0.0292 (180deg=-0.0778) USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.0211 USER MOD Single : A 4 TYR OH : rot -149:sc= -4.41! USER MOD Single : A 5 HIS :FLIP no HD1:sc= -3.95! C(o=-4.9!,f=-3.9!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.618 USER MOD Single : A 13 GLN : amide:sc= -1.83! C(o=-1.8!,f=-5!) USER MOD Single : A 17 SER OG : rot 56:sc= 0.742 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc=-0.00195 (180deg=-0.00195) USER MOD Single : A 24 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -109:sc= -3.11! (180deg=-8.82!) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.138) USER MOD Single : A 55 GLN : amide:sc= -0.988 K(o=-0.99,f=-7.7!) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.236 F(o=-1,f=-0.24) USER MOD Single : A 58 HIS : no HD1:sc= -0.094 X(o=-0.094,f=0.0038) USER MOD Single : A 63 TYR OH : rot -167:sc= 0.271 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.6!) USER MOD Single : A 75 ASN : amide:sc= -2.02! C(o=-2!,f=-6.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 160:sc= -1.84 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -0.227 F(o=-0.75,f=-0.23) USER MOD Single : A 106 SER OG : rot -115:sc= -1.09! USER MOD Single : A 107 SER OG : rot 82:sc= 0.279 USER MOD Single : A 108 SER OG : rot 170:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.042) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.98) USER MOD Single : A 118 SER OG : rot 26:sc= 0.515! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.432 K(o=-0.43,f=-2.7!) USER MOD Single : A 134 THR OG1 : rot 43:sc= -0.939 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.811 0.512 13.240 1.00 0.00 N ATOM 2 CA ALA A 1 -20.060 -0.629 12.313 1.00 0.00 C ATOM 3 C ALA A 1 -20.880 -0.144 11.115 1.00 0.00 C ATOM 4 O ALA A 1 -22.076 0.045 11.206 1.00 0.00 O ATOM 5 CB ALA A 1 -20.833 -1.725 13.048 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.254 0.183 14.054 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.286 1.257 12.740 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.719 0.893 13.574 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.107 -1.027 11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.015 -2.559 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.250 -2.072 13.901 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.786 -1.327 13.397 1.00 0.00 H new ATOM 13 N MET A 2 -20.247 0.054 9.992 1.00 0.00 N ATOM 14 CA MET A 2 -20.993 0.524 8.790 1.00 0.00 C ATOM 15 C MET A 2 -20.235 0.120 7.524 1.00 0.00 C ATOM 16 O MET A 2 -19.788 0.956 6.764 1.00 0.00 O ATOM 17 CB MET A 2 -21.136 2.047 8.835 1.00 0.00 C ATOM 18 CG MET A 2 -22.223 2.487 7.852 1.00 0.00 C ATOM 19 SD MET A 2 -21.457 3.347 6.455 1.00 0.00 S ATOM 20 CE MET A 2 -22.420 2.553 5.143 1.00 0.00 C ATOM 0 H MET A 2 -19.247 -0.089 9.854 1.00 0.00 H new ATOM 0 HA MET A 2 -21.983 0.068 8.781 1.00 0.00 H new ATOM 0 HB2 MET A 2 -21.392 2.369 9.844 1.00 0.00 H new ATOM 0 HB3 MET A 2 -20.187 2.520 8.580 1.00 0.00 H new ATOM 0 HG2 MET A 2 -22.781 1.620 7.498 1.00 0.00 H new ATOM 0 HG3 MET A 2 -22.936 3.143 8.351 1.00 0.00 H new ATOM 0 HE1 MET A 2 -22.024 2.848 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 2 -22.355 1.470 5.248 1.00 0.00 H new ATOM 0 HE3 MET A 2 -23.462 2.862 5.219 1.00 0.00 H new ATOM 30 N THR A 3 -20.092 -1.157 7.291 1.00 0.00 N ATOM 31 CA THR A 3 -19.369 -1.620 6.072 1.00 0.00 C ATOM 32 C THR A 3 -19.791 -0.776 4.877 1.00 0.00 C ATOM 33 O THR A 3 -20.957 -0.667 4.556 1.00 0.00 O ATOM 34 CB THR A 3 -19.723 -3.082 5.794 1.00 0.00 C ATOM 35 OG1 THR A 3 -21.097 -3.298 6.082 1.00 0.00 O ATOM 36 CG2 THR A 3 -18.865 -3.989 6.669 1.00 0.00 C ATOM 0 H THR A 3 -20.445 -1.900 7.893 1.00 0.00 H new ATOM 0 HA THR A 3 -18.295 -1.522 6.233 1.00 0.00 H new ATOM 0 HB THR A 3 -19.534 -3.310 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 3 -21.624 -2.541 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 3 -19.117 -5.031 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.812 -3.822 6.444 1.00 0.00 H new ATOM 0 HG23 THR A 3 -19.052 -3.764 7.719 1.00 0.00 H new ATOM 44 N TYR A 4 -18.845 -0.192 4.213 1.00 0.00 N ATOM 45 CA TYR A 4 -19.170 0.638 3.026 1.00 0.00 C ATOM 46 C TYR A 4 -18.490 0.017 1.807 1.00 0.00 C ATOM 47 O TYR A 4 -17.944 -1.064 1.878 1.00 0.00 O ATOM 48 CB TYR A 4 -18.653 2.062 3.240 1.00 0.00 C ATOM 49 CG TYR A 4 -17.163 2.022 3.467 1.00 0.00 C ATOM 50 CD1 TYR A 4 -16.298 1.858 2.380 1.00 0.00 C ATOM 51 CD2 TYR A 4 -16.644 2.146 4.763 1.00 0.00 C ATOM 52 CE1 TYR A 4 -14.918 1.817 2.584 1.00 0.00 C ATOM 53 CE2 TYR A 4 -15.260 2.099 4.969 1.00 0.00 C ATOM 54 CZ TYR A 4 -14.396 1.935 3.877 1.00 0.00 C ATOM 55 OH TYR A 4 -13.031 1.876 4.073 1.00 0.00 O ATOM 0 H TYR A 4 -17.853 -0.252 4.441 1.00 0.00 H new ATOM 0 HA TYR A 4 -20.249 0.676 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -18.884 2.679 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -19.151 2.517 4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.699 1.763 1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -17.311 2.278 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -14.252 1.694 1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.858 2.189 5.968 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.843 1.493 4.955 1.00 0.00 H new ATOM 65 N HIS A 5 -18.513 0.684 0.692 1.00 0.00 N ATOM 66 CA HIS A 5 -17.860 0.118 -0.518 1.00 0.00 C ATOM 67 C HIS A 5 -16.637 0.969 -0.871 1.00 0.00 C ATOM 68 O HIS A 5 -16.626 2.166 -0.676 1.00 0.00 O ATOM 69 CB HIS A 5 -18.869 0.110 -1.682 1.00 0.00 C ATOM 70 CG HIS A 5 -18.147 0.253 -2.996 1.00 0.00 C ATOM 71 ND1 HIS A 5 -17.409 1.283 -3.514 1.00 0.00 N flip ATOM 72 CD2 HIS A 5 -18.113 -0.754 -3.946 1.00 0.00 C flip ATOM 73 CE1 HIS A 5 -16.919 0.930 -4.764 1.00 0.00 C flip ATOM 74 NE2 HIS A 5 -17.371 -0.307 -4.976 1.00 0.00 N flip ATOM 0 H HIS A 5 -18.954 1.595 0.565 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.535 -0.905 -0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -19.440 -0.818 -1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.583 0.925 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.593 -1.719 -3.874 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.305 1.527 -5.422 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -17.177 -0.849 -5.818 1.00 0.00 H new ATOM 82 N LEU A 6 -15.614 0.368 -1.411 1.00 0.00 N ATOM 83 CA LEU A 6 -14.426 1.169 -1.792 1.00 0.00 C ATOM 84 C LEU A 6 -13.931 0.710 -3.166 1.00 0.00 C ATOM 85 O LEU A 6 -14.277 -0.356 -3.635 1.00 0.00 O ATOM 86 CB LEU A 6 -13.324 1.031 -0.728 1.00 0.00 C ATOM 87 CG LEU A 6 -12.415 -0.137 -1.065 1.00 0.00 C ATOM 88 CD1 LEU A 6 -11.402 0.303 -2.122 1.00 0.00 C ATOM 89 CD2 LEU A 6 -11.676 -0.597 0.185 1.00 0.00 C ATOM 0 H LEU A 6 -15.552 -0.632 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 6 -14.696 2.223 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.742 1.951 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -13.773 0.881 0.254 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.015 -0.962 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.746 -0.532 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.930 0.626 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.807 1.129 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.026 -1.435 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.075 0.224 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.397 -0.910 0.940 1.00 0.00 H new ATOM 101 N ASP A 7 -13.127 1.504 -3.815 1.00 0.00 N ATOM 102 CA ASP A 7 -12.620 1.098 -5.156 1.00 0.00 C ATOM 103 C ASP A 7 -11.287 1.789 -5.449 1.00 0.00 C ATOM 104 O ASP A 7 -11.248 2.917 -5.897 1.00 0.00 O ATOM 105 CB ASP A 7 -13.641 1.488 -6.227 1.00 0.00 C ATOM 106 CG ASP A 7 -13.384 0.670 -7.494 1.00 0.00 C ATOM 107 OD1 ASP A 7 -12.235 0.575 -7.890 1.00 0.00 O ATOM 108 OD2 ASP A 7 -14.341 0.153 -8.047 1.00 0.00 O ATOM 0 H ASP A 7 -12.800 2.410 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.470 0.018 -5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.653 1.308 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.566 2.553 -6.447 1.00 0.00 H new ATOM 113 N VAL A 8 -10.193 1.117 -5.210 1.00 0.00 N ATOM 114 CA VAL A 8 -8.865 1.732 -5.487 1.00 0.00 C ATOM 115 C VAL A 8 -8.229 1.031 -6.691 1.00 0.00 C ATOM 116 O VAL A 8 -7.872 -0.128 -6.629 1.00 0.00 O ATOM 117 CB VAL A 8 -7.963 1.570 -4.262 1.00 0.00 C ATOM 118 CG1 VAL A 8 -8.001 0.117 -3.784 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.528 1.945 -4.635 1.00 0.00 C ATOM 0 H VAL A 8 -10.163 0.169 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.988 2.793 -5.705 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.316 2.223 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.358 0.004 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.023 -0.152 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.649 -0.538 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.884 1.830 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.177 1.292 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.499 2.981 -4.974 1.00 0.00 H new ATOM 129 N VAL A 9 -8.091 1.721 -7.792 1.00 0.00 N ATOM 130 CA VAL A 9 -7.486 1.082 -8.995 1.00 0.00 C ATOM 131 C VAL A 9 -6.273 1.891 -9.461 1.00 0.00 C ATOM 132 O VAL A 9 -6.051 3.005 -9.027 1.00 0.00 O ATOM 133 CB VAL A 9 -8.525 1.021 -10.117 1.00 0.00 C ATOM 134 CG1 VAL A 9 -9.855 0.516 -9.554 1.00 0.00 C ATOM 135 CG2 VAL A 9 -8.723 2.419 -10.710 1.00 0.00 C ATOM 0 H VAL A 9 -8.370 2.695 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.164 0.072 -8.741 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.176 0.342 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.595 0.472 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.717 -0.480 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.202 1.195 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.463 2.374 -11.509 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.070 3.099 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.777 2.781 -11.112 1.00 0.00 H new ATOM 145 N SER A 10 -5.489 1.337 -10.343 1.00 0.00 N ATOM 146 CA SER A 10 -4.290 2.067 -10.843 1.00 0.00 C ATOM 147 C SER A 10 -3.560 1.202 -11.873 1.00 0.00 C ATOM 148 O SER A 10 -2.769 0.346 -11.528 1.00 0.00 O ATOM 149 CB SER A 10 -3.351 2.366 -9.674 1.00 0.00 C ATOM 150 OG SER A 10 -3.697 1.541 -8.571 1.00 0.00 O ATOM 0 H SER A 10 -5.627 0.408 -10.740 1.00 0.00 H new ATOM 0 HA SER A 10 -4.602 3.002 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.317 2.185 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.424 3.417 -9.394 1.00 0.00 H new ATOM 0 HG SER A 10 -3.096 1.729 -7.820 1.00 0.00 H new ATOM 156 N ALA A 11 -3.819 1.416 -13.133 1.00 0.00 N ATOM 157 CA ALA A 11 -3.138 0.603 -14.179 1.00 0.00 C ATOM 158 C ALA A 11 -3.592 -0.854 -14.067 1.00 0.00 C ATOM 159 O ALA A 11 -3.251 -1.549 -13.131 1.00 0.00 O ATOM 160 CB ALA A 11 -1.623 0.680 -13.977 1.00 0.00 C ATOM 0 H ALA A 11 -4.472 2.117 -13.483 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.395 0.990 -15.165 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.123 0.085 -14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.298 1.718 -14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.367 0.292 -12.991 1.00 0.00 H new ATOM 166 N GLU A 12 -4.356 -1.322 -15.015 1.00 0.00 N ATOM 167 CA GLU A 12 -4.829 -2.734 -14.964 1.00 0.00 C ATOM 168 C GLU A 12 -5.697 -2.940 -13.721 1.00 0.00 C ATOM 169 O GLU A 12 -5.253 -3.468 -12.721 1.00 0.00 O ATOM 170 CB GLU A 12 -3.623 -3.674 -14.906 1.00 0.00 C ATOM 171 CG GLU A 12 -2.802 -3.530 -16.189 1.00 0.00 C ATOM 172 CD GLU A 12 -3.364 -4.464 -17.262 1.00 0.00 C ATOM 173 OE1 GLU A 12 -4.477 -4.932 -17.089 1.00 0.00 O ATOM 174 OE2 GLU A 12 -2.671 -4.695 -18.240 1.00 0.00 O ATOM 0 H GLU A 12 -4.673 -0.787 -15.823 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.417 -2.951 -15.856 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.006 -3.439 -14.039 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.957 -4.705 -14.789 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.832 -2.498 -16.538 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.757 -3.770 -15.994 1.00 0.00 H new ATOM 181 N GLN A 13 -6.936 -2.529 -13.779 1.00 0.00 N ATOM 182 CA GLN A 13 -7.835 -2.703 -12.605 1.00 0.00 C ATOM 183 C GLN A 13 -7.646 -4.106 -12.021 1.00 0.00 C ATOM 184 O GLN A 13 -7.993 -5.096 -12.633 1.00 0.00 O ATOM 185 CB GLN A 13 -9.289 -2.526 -13.047 1.00 0.00 C ATOM 186 CG GLN A 13 -9.440 -1.196 -13.788 1.00 0.00 C ATOM 187 CD GLN A 13 -9.413 -1.446 -15.298 1.00 0.00 C ATOM 188 OE1 GLN A 13 -9.537 -2.572 -15.740 1.00 0.00 O ATOM 189 NE2 GLN A 13 -9.256 -0.439 -16.112 1.00 0.00 N ATOM 0 H GLN A 13 -7.363 -2.080 -14.590 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.592 -1.958 -11.847 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.586 -3.351 -13.695 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.949 -2.548 -12.180 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.376 -0.714 -13.505 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.635 -0.517 -13.507 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.152 0.505 -15.741 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.237 -0.596 -17.120 1.00 0.00 H new ATOM 198 N GLN A 14 -7.096 -4.197 -10.841 1.00 0.00 N ATOM 199 CA GLN A 14 -6.883 -5.535 -10.218 1.00 0.00 C ATOM 200 C GLN A 14 -6.426 -5.352 -8.770 1.00 0.00 C ATOM 201 O GLN A 14 -5.410 -5.877 -8.358 1.00 0.00 O ATOM 202 CB GLN A 14 -5.810 -6.297 -11.000 1.00 0.00 C ATOM 203 CG GLN A 14 -4.449 -5.629 -10.787 1.00 0.00 C ATOM 204 CD GLN A 14 -3.490 -6.619 -10.123 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.931 -7.551 -10.844 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -3.246 -6.544 -8.935 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.785 -3.403 -10.281 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.815 -6.100 -10.238 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.773 -7.335 -10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.059 -6.309 -12.061 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.042 -5.298 -11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.561 -4.742 -10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.682 -5.816 -8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.605 -7.209 -8.503 1.00 0.00 H new ATOM 215 N MET A 15 -7.166 -4.609 -7.993 1.00 0.00 N ATOM 216 CA MET A 15 -6.770 -4.393 -6.572 1.00 0.00 C ATOM 217 C MET A 15 -7.988 -4.585 -5.664 1.00 0.00 C ATOM 218 O MET A 15 -8.244 -5.668 -5.176 1.00 0.00 O ATOM 219 CB MET A 15 -6.221 -2.972 -6.412 1.00 0.00 C ATOM 220 CG MET A 15 -4.965 -2.812 -7.271 1.00 0.00 C ATOM 221 SD MET A 15 -3.600 -2.215 -6.243 1.00 0.00 S ATOM 222 CE MET A 15 -2.350 -3.388 -6.823 1.00 0.00 C ATOM 0 H MET A 15 -8.027 -4.143 -8.280 1.00 0.00 H new ATOM 0 HA MET A 15 -6.001 -5.113 -6.292 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.975 -2.243 -6.711 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.986 -2.777 -5.366 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.700 -3.766 -7.727 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.155 -2.111 -8.084 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.390 -3.154 -6.363 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.646 -4.401 -6.549 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.260 -3.317 -7.907 1.00 0.00 H new ATOM 232 N PHE A 16 -8.744 -3.545 -5.431 1.00 0.00 N ATOM 233 CA PHE A 16 -9.942 -3.677 -4.555 1.00 0.00 C ATOM 234 C PHE A 16 -11.094 -2.861 -5.145 1.00 0.00 C ATOM 235 O PHE A 16 -10.961 -1.683 -5.410 1.00 0.00 O ATOM 236 CB PHE A 16 -9.612 -3.155 -3.155 1.00 0.00 C ATOM 237 CG PHE A 16 -10.668 -3.621 -2.179 1.00 0.00 C ATOM 238 CD1 PHE A 16 -10.521 -4.841 -1.510 1.00 0.00 C ATOM 239 CD2 PHE A 16 -11.796 -2.832 -1.946 1.00 0.00 C ATOM 240 CE1 PHE A 16 -11.505 -5.265 -0.607 1.00 0.00 C ATOM 241 CE2 PHE A 16 -12.776 -3.251 -1.049 1.00 0.00 C ATOM 242 CZ PHE A 16 -12.634 -4.470 -0.377 1.00 0.00 C ATOM 0 H PHE A 16 -8.583 -2.612 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.233 -4.726 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.631 -3.514 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.565 -2.066 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.651 -5.455 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.909 -1.891 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.392 -6.206 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.645 -2.635 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.394 -4.797 0.318 1.00 0.00 H new ATOM 252 N SER A 17 -12.225 -3.476 -5.353 1.00 0.00 N ATOM 253 CA SER A 17 -13.383 -2.733 -5.924 1.00 0.00 C ATOM 254 C SER A 17 -14.673 -3.488 -5.604 1.00 0.00 C ATOM 255 O SER A 17 -15.185 -4.233 -6.415 1.00 0.00 O ATOM 256 CB SER A 17 -13.219 -2.621 -7.440 1.00 0.00 C ATOM 257 OG SER A 17 -13.061 -3.921 -7.993 1.00 0.00 O ATOM 0 H SER A 17 -12.397 -4.461 -5.152 1.00 0.00 H new ATOM 0 HA SER A 17 -13.427 -1.734 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.090 -2.131 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.353 -2.004 -7.679 1.00 0.00 H new ATOM 0 HG SER A 17 -13.825 -4.480 -7.739 1.00 0.00 H new ATOM 263 N GLY A 18 -15.199 -3.303 -4.426 1.00 0.00 N ATOM 264 CA GLY A 18 -16.453 -4.013 -4.049 1.00 0.00 C ATOM 265 C GLY A 18 -16.831 -3.650 -2.614 1.00 0.00 C ATOM 266 O GLY A 18 -16.625 -2.538 -2.169 1.00 0.00 O ATOM 0 H GLY A 18 -14.815 -2.690 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.259 -3.737 -4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.315 -5.090 -4.139 1.00 0.00 H new ATOM 270 N LEU A 19 -17.386 -4.578 -1.887 1.00 0.00 N ATOM 271 CA LEU A 19 -17.780 -4.285 -0.482 1.00 0.00 C ATOM 272 C LEU A 19 -16.531 -4.121 0.375 1.00 0.00 C ATOM 273 O LEU A 19 -15.453 -4.544 0.006 1.00 0.00 O ATOM 274 CB LEU A 19 -18.650 -5.425 0.044 1.00 0.00 C ATOM 275 CG LEU A 19 -19.836 -5.630 -0.906 1.00 0.00 C ATOM 276 CD1 LEU A 19 -20.934 -6.416 -0.189 1.00 0.00 C ATOM 277 CD2 LEU A 19 -20.390 -4.268 -1.350 1.00 0.00 C ATOM 0 H LEU A 19 -17.584 -5.527 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 19 -18.351 -3.358 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.065 -6.341 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.007 -5.193 1.047 1.00 0.00 H new ATOM 0 HG LEU A 19 -19.501 -6.185 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -21.777 -6.562 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -20.545 -7.386 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -21.264 -5.861 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -21.232 -4.420 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -20.722 -3.708 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.609 -3.708 -1.865 1.00 0.00 H new ATOM 289 N VAL A 20 -16.655 -3.475 1.499 1.00 0.00 N ATOM 290 CA VAL A 20 -15.458 -3.250 2.354 1.00 0.00 C ATOM 291 C VAL A 20 -15.889 -2.562 3.657 1.00 0.00 C ATOM 292 O VAL A 20 -16.981 -2.041 3.759 1.00 0.00 O ATOM 293 CB VAL A 20 -14.456 -2.374 1.567 1.00 0.00 C ATOM 294 CG1 VAL A 20 -15.191 -1.605 0.469 1.00 0.00 C ATOM 295 CG2 VAL A 20 -13.766 -1.358 2.478 1.00 0.00 C ATOM 0 H VAL A 20 -17.529 -3.094 1.862 1.00 0.00 H new ATOM 0 HA VAL A 20 -14.980 -4.195 2.611 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.706 -3.039 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.480 -0.989 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.666 -2.310 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.951 -0.967 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.069 -0.759 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.514 -0.706 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.222 -1.884 3.263 1.00 0.00 H new ATOM 305 N GLU A 21 -15.042 -2.556 4.653 1.00 0.00 N ATOM 306 CA GLU A 21 -15.420 -1.899 5.936 1.00 0.00 C ATOM 307 C GLU A 21 -14.233 -1.121 6.501 1.00 0.00 C ATOM 308 O GLU A 21 -14.324 0.063 6.755 1.00 0.00 O ATOM 309 CB GLU A 21 -15.846 -2.964 6.945 1.00 0.00 C ATOM 310 CG GLU A 21 -16.443 -2.287 8.181 1.00 0.00 C ATOM 311 CD GLU A 21 -16.659 -3.330 9.279 1.00 0.00 C ATOM 312 OE1 GLU A 21 -17.012 -4.449 8.944 1.00 0.00 O ATOM 313 OE2 GLU A 21 -16.466 -2.993 10.435 1.00 0.00 O ATOM 0 H GLU A 21 -14.112 -2.975 4.633 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.244 -1.210 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.578 -3.634 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.989 -3.574 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.776 -1.502 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.389 -1.810 7.926 1.00 0.00 H new ATOM 320 N LYS A 22 -13.125 -1.772 6.719 1.00 0.00 N ATOM 321 CA LYS A 22 -11.956 -1.051 7.290 1.00 0.00 C ATOM 322 C LYS A 22 -10.694 -1.334 6.473 1.00 0.00 C ATOM 323 O LYS A 22 -10.163 -2.425 6.494 1.00 0.00 O ATOM 324 CB LYS A 22 -11.737 -1.514 8.732 1.00 0.00 C ATOM 325 CG LYS A 22 -11.893 -0.326 9.683 1.00 0.00 C ATOM 326 CD LYS A 22 -10.698 -0.280 10.638 1.00 0.00 C ATOM 327 CE LYS A 22 -10.686 1.059 11.378 1.00 0.00 C ATOM 328 NZ LYS A 22 -11.580 0.976 12.567 1.00 0.00 N ATOM 0 H LYS A 22 -12.979 -2.763 6.528 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.157 0.020 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.455 -2.293 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.743 -1.949 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.955 0.603 9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.821 -0.417 10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.758 -1.101 11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.769 -0.408 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.671 1.306 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.019 1.857 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.573 1.886 13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.549 0.759 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.243 0.225 13.203 1.00 0.00 H new ATOM 342 N ILE A 23 -10.192 -0.346 5.777 1.00 0.00 N ATOM 343 CA ILE A 23 -8.945 -0.545 4.985 1.00 0.00 C ATOM 344 C ILE A 23 -7.772 0.012 5.794 1.00 0.00 C ATOM 345 O ILE A 23 -7.881 0.213 6.988 1.00 0.00 O ATOM 346 CB ILE A 23 -9.058 0.188 3.641 1.00 0.00 C ATOM 347 CG1 ILE A 23 -8.965 1.699 3.858 1.00 0.00 C ATOM 348 CG2 ILE A 23 -10.401 -0.143 2.992 1.00 0.00 C ATOM 349 CD1 ILE A 23 -7.813 2.265 3.026 1.00 0.00 C ATOM 0 H ILE A 23 -10.594 0.590 5.724 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.789 -1.605 4.784 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.243 -0.134 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.902 2.176 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.806 1.916 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.482 0.377 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.470 -1.218 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.211 0.175 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.747 3.342 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.878 1.796 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.992 2.061 1.970 1.00 0.00 H new ATOM 361 N GLN A 24 -6.654 0.264 5.176 1.00 0.00 N ATOM 362 CA GLN A 24 -5.499 0.806 5.949 1.00 0.00 C ATOM 363 C GLN A 24 -4.434 1.336 4.990 1.00 0.00 C ATOM 364 O GLN A 24 -4.384 0.967 3.836 1.00 0.00 O ATOM 365 CB GLN A 24 -4.899 -0.306 6.815 1.00 0.00 C ATOM 366 CG GLN A 24 -4.543 0.255 8.193 1.00 0.00 C ATOM 367 CD GLN A 24 -3.408 -0.570 8.803 1.00 0.00 C ATOM 368 OE1 GLN A 24 -2.626 -1.168 8.090 1.00 0.00 O ATOM 369 NE2 GLN A 24 -3.281 -0.627 10.101 1.00 0.00 N ATOM 0 H GLN A 24 -6.488 0.121 4.180 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.844 1.621 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.610 -1.126 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.009 -0.714 6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.242 1.299 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.416 0.229 8.845 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.937 -0.125 10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.526 -1.173 10.516 1.00 0.00 H new ATOM 378 N VAL A 25 -3.579 2.198 5.460 1.00 0.00 N ATOM 379 CA VAL A 25 -2.513 2.746 4.579 1.00 0.00 C ATOM 380 C VAL A 25 -1.331 3.184 5.439 1.00 0.00 C ATOM 381 O VAL A 25 -1.438 4.080 6.252 1.00 0.00 O ATOM 382 CB VAL A 25 -3.042 3.951 3.801 1.00 0.00 C ATOM 383 CG1 VAL A 25 -2.312 4.054 2.461 1.00 0.00 C ATOM 384 CG2 VAL A 25 -4.542 3.782 3.549 1.00 0.00 C ATOM 0 H VAL A 25 -3.572 2.548 6.418 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.199 1.976 3.874 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.871 4.858 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.689 4.913 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.243 4.177 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.482 3.146 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.917 4.642 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.714 2.874 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.065 3.709 4.502 1.00 0.00 H new ATOM 394 N THR A 26 -0.206 2.558 5.264 1.00 0.00 N ATOM 395 CA THR A 26 0.987 2.935 6.068 1.00 0.00 C ATOM 396 C THR A 26 2.024 3.584 5.155 1.00 0.00 C ATOM 397 O THR A 26 2.621 2.935 4.316 1.00 0.00 O ATOM 398 CB THR A 26 1.583 1.684 6.716 1.00 0.00 C ATOM 399 OG1 THR A 26 0.633 1.119 7.609 1.00 0.00 O ATOM 400 CG2 THR A 26 2.849 2.061 7.487 1.00 0.00 C ATOM 0 H THR A 26 -0.059 1.800 4.598 1.00 0.00 H new ATOM 0 HA THR A 26 0.696 3.639 6.847 1.00 0.00 H new ATOM 0 HB THR A 26 1.834 0.957 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.012 0.316 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.273 1.169 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.576 2.496 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.601 2.787 8.261 1.00 0.00 H new ATOM 408 N GLY A 27 2.242 4.862 5.309 1.00 0.00 N ATOM 409 CA GLY A 27 3.240 5.557 4.449 1.00 0.00 C ATOM 410 C GLY A 27 3.769 6.793 5.177 1.00 0.00 C ATOM 411 O GLY A 27 3.872 7.863 4.612 1.00 0.00 O ATOM 0 H GLY A 27 1.772 5.454 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.063 4.883 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.782 5.847 3.504 1.00 0.00 H new ATOM 415 N SER A 28 4.107 6.654 6.431 1.00 0.00 N ATOM 416 CA SER A 28 4.630 7.821 7.194 1.00 0.00 C ATOM 417 C SER A 28 3.601 8.954 7.166 1.00 0.00 C ATOM 418 O SER A 28 2.633 8.908 6.433 1.00 0.00 O ATOM 419 CB SER A 28 5.934 8.303 6.558 1.00 0.00 C ATOM 420 OG SER A 28 7.026 7.942 7.393 1.00 0.00 O ATOM 0 H SER A 28 4.043 5.783 6.958 1.00 0.00 H new ATOM 0 HA SER A 28 4.816 7.525 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.055 7.860 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.908 9.384 6.422 1.00 0.00 H new ATOM 0 HG SER A 28 7.864 8.248 6.987 1.00 0.00 H new ATOM 426 N GLU A 29 3.802 9.970 7.960 1.00 0.00 N ATOM 427 CA GLU A 29 2.834 11.103 7.977 1.00 0.00 C ATOM 428 C GLU A 29 1.426 10.562 8.223 1.00 0.00 C ATOM 429 O GLU A 29 0.474 10.969 7.589 1.00 0.00 O ATOM 430 CB GLU A 29 2.875 11.827 6.630 1.00 0.00 C ATOM 431 CG GLU A 29 4.303 11.809 6.085 1.00 0.00 C ATOM 432 CD GLU A 29 4.698 13.220 5.644 1.00 0.00 C ATOM 433 OE1 GLU A 29 4.694 14.105 6.484 1.00 0.00 O ATOM 434 OE2 GLU A 29 4.997 13.392 4.474 1.00 0.00 O ATOM 0 H GLU A 29 4.593 10.064 8.597 1.00 0.00 H new ATOM 0 HA GLU A 29 3.100 11.800 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.199 11.344 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.532 12.855 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.991 11.449 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.374 11.120 5.243 1.00 0.00 H new ATOM 441 N GLY A 30 1.287 9.644 9.141 1.00 0.00 N ATOM 442 CA GLY A 30 -0.060 9.075 9.426 1.00 0.00 C ATOM 443 C GLY A 30 -0.114 7.627 8.938 1.00 0.00 C ATOM 444 O GLY A 30 0.749 7.172 8.214 1.00 0.00 O ATOM 0 H GLY A 30 2.047 9.264 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.266 9.118 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.829 9.667 8.929 1.00 0.00 H new ATOM 448 N GLU A 31 -1.122 6.896 9.328 1.00 0.00 N ATOM 449 CA GLU A 31 -1.228 5.478 8.887 1.00 0.00 C ATOM 450 C GLU A 31 -2.646 4.970 9.149 1.00 0.00 C ATOM 451 O GLU A 31 -2.860 4.092 9.962 1.00 0.00 O ATOM 452 CB GLU A 31 -0.227 4.625 9.669 1.00 0.00 C ATOM 453 CG GLU A 31 -0.405 4.875 11.169 1.00 0.00 C ATOM 454 CD GLU A 31 -0.425 3.538 11.913 1.00 0.00 C ATOM 455 OE1 GLU A 31 0.135 2.585 11.395 1.00 0.00 O ATOM 456 OE2 GLU A 31 -1.000 3.489 12.988 1.00 0.00 O ATOM 0 H GLU A 31 -1.876 7.220 9.933 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.008 5.410 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.380 3.569 9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.791 4.871 9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.407 5.499 11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.333 5.417 11.350 1.00 0.00 H new ATOM 463 N LEU A 32 -3.617 5.511 8.465 1.00 0.00 N ATOM 464 CA LEU A 32 -5.021 5.053 8.678 1.00 0.00 C ATOM 465 C LEU A 32 -5.680 4.767 7.336 1.00 0.00 C ATOM 466 O LEU A 32 -5.412 5.418 6.346 1.00 0.00 O ATOM 467 CB LEU A 32 -5.829 6.138 9.397 1.00 0.00 C ATOM 468 CG LEU A 32 -5.941 5.786 10.880 1.00 0.00 C ATOM 469 CD1 LEU A 32 -6.598 6.943 11.634 1.00 0.00 C ATOM 470 CD2 LEU A 32 -6.794 4.525 11.038 1.00 0.00 C ATOM 0 H LEU A 32 -3.500 6.248 7.770 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.000 4.148 9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.345 7.107 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.822 6.221 8.955 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.946 5.608 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.677 6.690 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.992 7.842 11.520 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.594 7.123 11.229 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.876 4.271 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.789 4.705 10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.326 3.700 10.502 1.00 0.00 H new ATOM 482 N GLY A 33 -6.562 3.812 7.301 1.00 0.00 N ATOM 483 CA GLY A 33 -7.263 3.496 6.033 1.00 0.00 C ATOM 484 C GLY A 33 -8.639 4.151 6.071 1.00 0.00 C ATOM 485 O GLY A 33 -8.769 5.346 5.902 1.00 0.00 O ATOM 0 H GLY A 33 -6.828 3.235 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.691 3.863 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.359 2.417 5.911 1.00 0.00 H new ATOM 489 N ILE A 34 -9.663 3.389 6.320 1.00 0.00 N ATOM 490 CA ILE A 34 -11.019 3.988 6.394 1.00 0.00 C ATOM 491 C ILE A 34 -11.894 3.124 7.294 1.00 0.00 C ATOM 492 O ILE A 34 -11.606 1.974 7.544 1.00 0.00 O ATOM 493 CB ILE A 34 -11.623 4.110 4.986 1.00 0.00 C ATOM 494 CG1 ILE A 34 -11.120 5.400 4.358 1.00 0.00 C ATOM 495 CG2 ILE A 34 -13.149 4.189 5.071 1.00 0.00 C ATOM 496 CD1 ILE A 34 -11.541 6.550 5.266 1.00 0.00 C ATOM 0 H ILE A 34 -9.620 2.382 6.475 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.959 4.991 6.816 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.334 3.241 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.036 5.375 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.538 5.528 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.565 4.275 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.534 3.287 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.436 5.061 5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.195 7.493 4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.628 6.568 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.102 6.413 6.254 1.00 0.00 H new ATOM 508 N TYR A 35 -12.947 3.690 7.805 1.00 0.00 N ATOM 509 CA TYR A 35 -13.837 2.928 8.721 1.00 0.00 C ATOM 510 C TYR A 35 -15.260 3.479 8.606 1.00 0.00 C ATOM 511 O TYR A 35 -15.484 4.465 7.934 1.00 0.00 O ATOM 512 CB TYR A 35 -13.348 3.091 10.169 1.00 0.00 C ATOM 513 CG TYR A 35 -12.319 4.206 10.261 1.00 0.00 C ATOM 514 CD1 TYR A 35 -11.021 4.012 9.768 1.00 0.00 C ATOM 515 CD2 TYR A 35 -12.670 5.436 10.831 1.00 0.00 C ATOM 516 CE1 TYR A 35 -10.079 5.043 9.843 1.00 0.00 C ATOM 517 CE2 TYR A 35 -11.727 6.468 10.909 1.00 0.00 C ATOM 518 CZ TYR A 35 -10.431 6.272 10.414 1.00 0.00 C ATOM 519 OH TYR A 35 -9.501 7.289 10.487 1.00 0.00 O ATOM 0 H TYR A 35 -13.232 4.653 7.627 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.823 1.872 8.450 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.193 3.313 10.821 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.912 2.156 10.519 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.748 3.064 9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.669 5.589 11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.080 4.891 9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.999 7.415 11.351 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.873 7.212 9.739 1.00 0.00 H new ATOM 529 N PRO A 36 -16.179 2.835 9.277 1.00 0.00 N ATOM 530 CA PRO A 36 -17.591 3.256 9.276 1.00 0.00 C ATOM 531 C PRO A 36 -17.766 4.500 10.152 1.00 0.00 C ATOM 532 O PRO A 36 -18.241 4.427 11.268 1.00 0.00 O ATOM 533 CB PRO A 36 -18.329 2.048 9.860 1.00 0.00 C ATOM 534 CG PRO A 36 -17.282 1.241 10.662 1.00 0.00 C ATOM 535 CD PRO A 36 -15.903 1.635 10.098 1.00 0.00 C ATOM 0 HA PRO A 36 -17.966 3.527 8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.149 2.368 10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -18.765 1.439 9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.346 1.471 11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.453 0.170 10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.193 1.853 10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.473 0.832 9.499 1.00 0.00 H new ATOM 543 N GLY A 37 -17.379 5.641 9.649 1.00 0.00 N ATOM 544 CA GLY A 37 -17.512 6.896 10.442 1.00 0.00 C ATOM 545 C GLY A 37 -16.244 7.737 10.271 1.00 0.00 C ATOM 546 O GLY A 37 -15.656 8.194 11.231 1.00 0.00 O ATOM 0 H GLY A 37 -16.975 5.758 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -18.384 7.459 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -17.667 6.660 11.495 1.00 0.00 H new ATOM 550 N HIS A 38 -15.814 7.941 9.054 1.00 0.00 N ATOM 551 CA HIS A 38 -14.581 8.747 8.821 1.00 0.00 C ATOM 552 C HIS A 38 -14.952 10.091 8.190 1.00 0.00 C ATOM 553 O HIS A 38 -14.095 10.890 7.866 1.00 0.00 O ATOM 554 CB HIS A 38 -13.646 7.986 7.879 1.00 0.00 C ATOM 555 CG HIS A 38 -12.304 8.663 7.849 1.00 0.00 C ATOM 556 ND1 HIS A 38 -11.722 9.099 6.669 1.00 0.00 N ATOM 557 CD2 HIS A 38 -11.417 8.987 8.846 1.00 0.00 C ATOM 558 CE1 HIS A 38 -10.536 9.654 6.983 1.00 0.00 C ATOM 559 NE2 HIS A 38 -10.302 9.612 8.297 1.00 0.00 N ATOM 0 H HIS A 38 -16.264 7.584 8.211 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.081 8.921 9.773 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.537 6.954 8.213 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.071 7.953 6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.563 8.787 9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.857 10.081 6.260 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.482 9.963 8.792 1.00 0.00 H new ATOM 567 N ALA A 39 -16.218 10.349 8.008 1.00 0.00 N ATOM 568 CA ALA A 39 -16.633 11.643 7.393 1.00 0.00 C ATOM 569 C ALA A 39 -16.171 11.685 5.933 1.00 0.00 C ATOM 570 O ALA A 39 -15.232 11.009 5.562 1.00 0.00 O ATOM 571 CB ALA A 39 -16.000 12.804 8.162 1.00 0.00 C ATOM 0 H ALA A 39 -16.982 9.721 8.258 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.719 11.732 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.305 13.748 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.329 12.775 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.914 12.717 8.123 1.00 0.00 H new ATOM 577 N PRO A 40 -16.851 12.480 5.147 1.00 0.00 N ATOM 578 CA PRO A 40 -16.541 12.639 3.715 1.00 0.00 C ATOM 579 C PRO A 40 -15.334 13.560 3.523 1.00 0.00 C ATOM 580 O PRO A 40 -15.474 14.756 3.354 1.00 0.00 O ATOM 581 CB PRO A 40 -17.807 13.281 3.144 1.00 0.00 C ATOM 582 CG PRO A 40 -18.522 13.968 4.333 1.00 0.00 C ATOM 583 CD PRO A 40 -17.992 13.295 5.612 1.00 0.00 C ATOM 0 HA PRO A 40 -16.285 11.698 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.559 14.006 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -18.450 12.530 2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -18.315 15.038 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -19.603 13.853 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.679 14.033 6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.757 12.677 6.083 1.00 0.00 H new ATOM 591 N LEU A 41 -14.147 13.017 3.545 1.00 0.00 N ATOM 592 CA LEU A 41 -12.937 13.866 3.360 1.00 0.00 C ATOM 593 C LEU A 41 -12.460 13.765 1.910 1.00 0.00 C ATOM 594 O LEU A 41 -12.450 12.701 1.319 1.00 0.00 O ATOM 595 CB LEU A 41 -11.825 13.386 4.295 1.00 0.00 C ATOM 596 CG LEU A 41 -12.422 13.009 5.651 1.00 0.00 C ATOM 597 CD1 LEU A 41 -11.295 12.769 6.656 1.00 0.00 C ATOM 598 CD2 LEU A 41 -13.315 14.147 6.149 1.00 0.00 C ATOM 0 H LEU A 41 -13.964 12.023 3.683 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.184 14.902 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.315 12.527 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.078 14.170 4.420 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.015 12.100 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.721 12.500 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.658 11.958 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.701 13.677 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.741 13.879 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.722 15.056 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.119 14.318 5.433 1.00 0.00 H new ATOM 610 N LEU A 42 -12.064 14.866 1.330 1.00 0.00 N ATOM 611 CA LEU A 42 -11.586 14.838 -0.079 1.00 0.00 C ATOM 612 C LEU A 42 -10.138 15.329 -0.131 1.00 0.00 C ATOM 613 O LEU A 42 -9.874 16.497 -0.337 1.00 0.00 O ATOM 614 CB LEU A 42 -12.466 15.750 -0.938 1.00 0.00 C ATOM 615 CG LEU A 42 -13.927 15.318 -0.808 1.00 0.00 C ATOM 616 CD1 LEU A 42 -14.806 16.226 -1.671 1.00 0.00 C ATOM 617 CD2 LEU A 42 -14.072 13.869 -1.279 1.00 0.00 C ATOM 0 H LEU A 42 -12.052 15.784 1.774 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.641 13.819 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.353 16.787 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.152 15.699 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.239 15.395 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.848 15.919 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.701 17.258 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.496 16.149 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.113 13.559 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.761 13.792 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.445 13.222 -0.665 1.00 0.00 H new ATOM 629 N THR A 43 -9.196 14.445 0.058 1.00 0.00 N ATOM 630 CA THR A 43 -7.766 14.861 0.023 1.00 0.00 C ATOM 631 C THR A 43 -6.982 13.910 -0.884 1.00 0.00 C ATOM 632 O THR A 43 -7.532 13.294 -1.775 1.00 0.00 O ATOM 633 CB THR A 43 -7.187 14.809 1.439 1.00 0.00 C ATOM 634 OG1 THR A 43 -6.966 13.455 1.809 1.00 0.00 O ATOM 635 CG2 THR A 43 -8.171 15.453 2.419 1.00 0.00 C ATOM 0 H THR A 43 -9.355 13.453 0.235 1.00 0.00 H new ATOM 0 HA THR A 43 -7.691 15.877 -0.364 1.00 0.00 H new ATOM 0 HB THR A 43 -6.243 15.353 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.594 13.420 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.758 15.415 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.340 16.492 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.116 14.911 2.394 1.00 0.00 H new ATOM 643 N ALA A 44 -5.702 13.785 -0.667 1.00 0.00 N ATOM 644 CA ALA A 44 -4.887 12.874 -1.519 1.00 0.00 C ATOM 645 C ALA A 44 -4.654 11.556 -0.776 1.00 0.00 C ATOM 646 O ALA A 44 -4.977 11.422 0.387 1.00 0.00 O ATOM 647 CB ALA A 44 -3.540 13.531 -1.830 1.00 0.00 C ATOM 0 H ALA A 44 -5.185 14.274 0.064 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.417 12.678 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.945 12.864 -2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.706 14.469 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.008 13.729 -0.899 1.00 0.00 H new ATOM 653 N ILE A 45 -4.099 10.579 -1.441 1.00 0.00 N ATOM 654 CA ILE A 45 -3.849 9.270 -0.772 1.00 0.00 C ATOM 655 C ILE A 45 -2.379 9.182 -0.353 1.00 0.00 C ATOM 656 O ILE A 45 -1.565 10.000 -0.733 1.00 0.00 O ATOM 657 CB ILE A 45 -4.176 8.132 -1.741 1.00 0.00 C ATOM 658 CG1 ILE A 45 -4.257 6.813 -0.968 1.00 0.00 C ATOM 659 CG2 ILE A 45 -3.082 8.029 -2.806 1.00 0.00 C ATOM 660 CD1 ILE A 45 -5.365 5.942 -1.562 1.00 0.00 C ATOM 0 H ILE A 45 -3.808 10.630 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.482 9.186 0.112 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.132 8.334 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.302 6.290 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.458 7.008 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.319 7.217 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.022 8.967 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.124 7.829 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.423 5.003 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.318 6.465 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.144 5.736 -2.609 1.00 0.00 H new ATOM 672 N LYS A 46 -2.032 8.193 0.424 1.00 0.00 N ATOM 673 CA LYS A 46 -0.615 8.053 0.861 1.00 0.00 C ATOM 674 C LYS A 46 -0.031 6.758 0.284 1.00 0.00 C ATOM 675 O LYS A 46 -0.715 5.758 0.202 1.00 0.00 O ATOM 676 CB LYS A 46 -0.555 8.001 2.390 1.00 0.00 C ATOM 677 CG LYS A 46 -1.019 9.342 2.964 1.00 0.00 C ATOM 678 CD LYS A 46 -0.280 10.482 2.263 1.00 0.00 C ATOM 679 CE LYS A 46 -0.517 11.788 3.023 1.00 0.00 C ATOM 680 NZ LYS A 46 -1.294 12.728 2.168 1.00 0.00 N ATOM 0 H LYS A 46 -2.668 7.477 0.775 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.038 8.906 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.188 7.195 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.462 7.785 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.095 9.455 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.828 9.376 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.787 10.264 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.630 10.578 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.058 11.589 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.436 12.237 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.455 13.616 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.761 12.926 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.209 12.299 1.924 1.00 0.00 H new ATOM 694 N PRO A 47 1.219 6.817 -0.101 1.00 0.00 N ATOM 695 CA PRO A 47 1.926 5.659 -0.678 1.00 0.00 C ATOM 696 C PRO A 47 2.359 4.695 0.430 1.00 0.00 C ATOM 697 O PRO A 47 2.696 5.103 1.524 1.00 0.00 O ATOM 698 CB PRO A 47 3.145 6.286 -1.359 1.00 0.00 C ATOM 699 CG PRO A 47 3.377 7.651 -0.669 1.00 0.00 C ATOM 700 CD PRO A 47 2.044 8.038 0.002 1.00 0.00 C ATOM 0 HA PRO A 47 1.311 5.079 -1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.020 5.645 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.969 6.416 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.176 7.581 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.679 8.406 -1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.192 8.332 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.573 8.881 -0.504 1.00 0.00 H new ATOM 708 N GLY A 48 2.359 3.419 0.155 1.00 0.00 N ATOM 709 CA GLY A 48 2.775 2.436 1.195 1.00 0.00 C ATOM 710 C GLY A 48 1.942 1.159 1.063 1.00 0.00 C ATOM 711 O GLY A 48 1.534 0.779 -0.017 1.00 0.00 O ATOM 0 H GLY A 48 2.090 3.016 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.834 2.203 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.644 2.866 2.188 1.00 0.00 H new ATOM 715 N MET A 49 1.686 0.494 2.157 1.00 0.00 N ATOM 716 CA MET A 49 0.879 -0.760 2.098 1.00 0.00 C ATOM 717 C MET A 49 -0.553 -0.461 2.543 1.00 0.00 C ATOM 718 O MET A 49 -0.860 0.635 2.971 1.00 0.00 O ATOM 719 CB MET A 49 1.495 -1.807 3.029 1.00 0.00 C ATOM 720 CG MET A 49 1.407 -1.319 4.475 1.00 0.00 C ATOM 721 SD MET A 49 -0.123 -1.929 5.226 1.00 0.00 S ATOM 722 CE MET A 49 0.331 -3.680 5.270 1.00 0.00 C ATOM 0 H MET A 49 2.000 0.764 3.089 1.00 0.00 H new ATOM 0 HA MET A 49 0.872 -1.142 1.077 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.971 -2.757 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.535 -1.984 2.757 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.269 -1.671 5.042 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.430 -0.230 4.504 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.258 -4.227 4.534 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.391 -3.787 5.039 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.134 -4.082 6.264 1.00 0.00 H new ATOM 732 N ILE A 50 -1.438 -1.419 2.449 1.00 0.00 N ATOM 733 CA ILE A 50 -2.842 -1.163 2.874 1.00 0.00 C ATOM 734 C ILE A 50 -3.462 -2.448 3.420 1.00 0.00 C ATOM 735 O ILE A 50 -3.116 -3.537 3.017 1.00 0.00 O ATOM 736 CB ILE A 50 -3.661 -0.663 1.670 1.00 0.00 C ATOM 737 CG1 ILE A 50 -5.157 -0.932 1.894 1.00 0.00 C ATOM 738 CG2 ILE A 50 -3.210 -1.393 0.405 1.00 0.00 C ATOM 739 CD1 ILE A 50 -5.948 -0.507 0.657 1.00 0.00 C ATOM 0 H ILE A 50 -1.250 -2.359 2.099 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.848 -0.404 3.657 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.500 0.409 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.320 -1.991 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.508 -0.384 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.791 -1.038 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.152 -1.197 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.365 -2.465 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.009 -0.699 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.796 0.557 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.605 -1.075 -0.207 1.00 0.00 H new ATOM 751 N ARG A 51 -4.396 -2.318 4.319 1.00 0.00 N ATOM 752 CA ARG A 51 -5.074 -3.516 4.885 1.00 0.00 C ATOM 753 C ARG A 51 -6.570 -3.387 4.593 1.00 0.00 C ATOM 754 O ARG A 51 -7.016 -2.370 4.105 1.00 0.00 O ATOM 755 CB ARG A 51 -4.842 -3.577 6.398 1.00 0.00 C ATOM 756 CG ARG A 51 -4.742 -5.038 6.842 1.00 0.00 C ATOM 757 CD ARG A 51 -4.614 -5.104 8.365 1.00 0.00 C ATOM 758 NE ARG A 51 -3.513 -6.038 8.733 1.00 0.00 N ATOM 759 CZ ARG A 51 -3.520 -6.630 9.896 1.00 0.00 C ATOM 760 NH1 ARG A 51 -3.120 -5.986 10.959 1.00 0.00 N ATOM 761 NH2 ARG A 51 -3.923 -7.867 9.997 1.00 0.00 N ATOM 0 H ARG A 51 -4.721 -1.425 4.689 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.676 -4.427 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.928 -3.044 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.660 -3.082 6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.625 -5.589 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.880 -5.513 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.412 -4.111 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.553 -5.441 8.805 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.753 -6.215 8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.802 -5.020 10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.126 -6.449 11.868 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.233 -8.372 9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.928 -8.329 10.906 1.00 0.00 H new ATOM 775 N ILE A 52 -7.351 -4.397 4.870 1.00 0.00 N ATOM 776 CA ILE A 52 -8.811 -4.284 4.583 1.00 0.00 C ATOM 777 C ILE A 52 -9.583 -5.380 5.322 1.00 0.00 C ATOM 778 O ILE A 52 -9.114 -6.489 5.488 1.00 0.00 O ATOM 779 CB ILE A 52 -9.022 -4.365 3.058 1.00 0.00 C ATOM 780 CG1 ILE A 52 -9.684 -3.079 2.565 1.00 0.00 C ATOM 781 CG2 ILE A 52 -9.901 -5.559 2.664 1.00 0.00 C ATOM 782 CD1 ILE A 52 -9.035 -2.664 1.245 1.00 0.00 C ATOM 0 H ILE A 52 -7.048 -5.282 5.276 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.193 -3.327 4.939 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.043 -4.495 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.754 -3.235 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.570 -2.288 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.024 -5.579 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.427 -6.484 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.878 -5.464 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.500 -1.747 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.970 -2.494 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.172 -3.455 0.508 1.00 0.00 H new ATOM 794 N VAL A 53 -10.767 -5.064 5.768 1.00 0.00 N ATOM 795 CA VAL A 53 -11.587 -6.065 6.500 1.00 0.00 C ATOM 796 C VAL A 53 -13.020 -6.037 5.961 1.00 0.00 C ATOM 797 O VAL A 53 -13.699 -5.032 6.053 1.00 0.00 O ATOM 798 CB VAL A 53 -11.590 -5.718 7.991 1.00 0.00 C ATOM 799 CG1 VAL A 53 -12.701 -6.496 8.698 1.00 0.00 C ATOM 800 CG2 VAL A 53 -10.238 -6.093 8.602 1.00 0.00 C ATOM 0 H VAL A 53 -11.203 -4.149 5.655 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.168 -7.061 6.359 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.763 -4.649 8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.701 -6.247 9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.665 -6.230 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.530 -7.566 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.238 -5.847 9.664 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.066 -7.162 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.445 -5.537 8.101 1.00 0.00 H new ATOM 810 N LYS A 54 -13.465 -7.143 5.405 1.00 0.00 N ATOM 811 CA LYS A 54 -14.851 -7.253 4.840 1.00 0.00 C ATOM 812 C LYS A 54 -14.785 -8.051 3.536 1.00 0.00 C ATOM 813 O LYS A 54 -14.955 -9.253 3.528 1.00 0.00 O ATOM 814 CB LYS A 54 -15.444 -5.871 4.553 1.00 0.00 C ATOM 815 CG LYS A 54 -16.722 -6.014 3.720 1.00 0.00 C ATOM 816 CD LYS A 54 -17.821 -6.649 4.574 1.00 0.00 C ATOM 817 CE LYS A 54 -18.184 -8.020 4.003 1.00 0.00 C ATOM 818 NZ LYS A 54 -18.020 -9.059 5.059 1.00 0.00 N ATOM 0 H LYS A 54 -12.910 -7.995 5.318 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.488 -7.753 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.665 -5.359 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.718 -5.258 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.045 -5.037 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.529 -6.629 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.482 -6.751 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.701 -6.006 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.212 -8.014 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.547 -8.250 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.498 -9.934 4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.008 -9.250 5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.439 -8.719 5.948 1.00 0.00 H new ATOM 832 N GLN A 55 -14.533 -7.390 2.434 1.00 0.00 N ATOM 833 CA GLN A 55 -14.452 -8.109 1.128 1.00 0.00 C ATOM 834 C GLN A 55 -15.565 -9.159 1.048 1.00 0.00 C ATOM 835 O GLN A 55 -16.681 -8.864 0.669 1.00 0.00 O ATOM 836 CB GLN A 55 -13.086 -8.793 1.009 1.00 0.00 C ATOM 837 CG GLN A 55 -13.049 -9.648 -0.260 1.00 0.00 C ATOM 838 CD GLN A 55 -12.369 -10.985 0.044 1.00 0.00 C ATOM 839 OE1 GLN A 55 -12.996 -11.901 0.539 1.00 0.00 O ATOM 840 NE2 GLN A 55 -11.103 -11.137 -0.235 1.00 0.00 N ATOM 0 H GLN A 55 -14.380 -6.383 2.383 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.573 -7.397 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.294 -8.044 0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.902 -9.416 1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.061 -9.818 -0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.509 -9.124 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.576 -10.369 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.640 -12.024 -0.038 1.00 0.00 H new ATOM 849 N HIS A 56 -15.272 -10.380 1.405 1.00 0.00 N ATOM 850 CA HIS A 56 -16.314 -11.442 1.351 1.00 0.00 C ATOM 851 C HIS A 56 -16.311 -12.225 2.666 1.00 0.00 C ATOM 852 O HIS A 56 -17.343 -12.633 3.160 1.00 0.00 O ATOM 853 CB HIS A 56 -16.011 -12.395 0.192 1.00 0.00 C ATOM 854 CG HIS A 56 -17.028 -13.503 0.179 1.00 0.00 C ATOM 855 ND1 HIS A 56 -18.301 -13.583 0.685 1.00 0.00 N flip ATOM 856 CD2 HIS A 56 -16.777 -14.729 -0.416 1.00 0.00 C flip ATOM 857 CE1 HIS A 56 -18.834 -14.839 0.411 1.00 0.00 C flip ATOM 858 NE2 HIS A 56 -17.876 -15.490 -0.253 1.00 0.00 N flip ATOM 0 H HIS A 56 -14.356 -10.687 1.732 1.00 0.00 H new ATOM 0 HA HIS A 56 -17.292 -10.985 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -16.034 -11.854 -0.754 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -15.008 -12.808 0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -15.867 -15.021 -0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -19.813 -15.208 0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -17.966 -16.447 -0.595 1.00 0.00 H new ATOM 866 N GLY A 57 -15.157 -12.437 3.238 1.00 0.00 N ATOM 867 CA GLY A 57 -15.088 -13.193 4.520 1.00 0.00 C ATOM 868 C GLY A 57 -13.633 -13.281 4.981 1.00 0.00 C ATOM 869 O GLY A 57 -13.175 -14.312 5.435 1.00 0.00 O ATOM 0 H GLY A 57 -14.259 -12.119 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.692 -12.698 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.500 -14.193 4.387 1.00 0.00 H new ATOM 873 N HIS A 58 -12.901 -12.207 4.867 1.00 0.00 N ATOM 874 CA HIS A 58 -11.474 -12.224 5.295 1.00 0.00 C ATOM 875 C HIS A 58 -10.880 -10.824 5.133 1.00 0.00 C ATOM 876 O HIS A 58 -11.576 -9.876 4.823 1.00 0.00 O ATOM 877 CB HIS A 58 -10.695 -13.211 4.423 1.00 0.00 C ATOM 878 CG HIS A 58 -9.924 -14.160 5.299 1.00 0.00 C ATOM 879 ND1 HIS A 58 -8.544 -14.274 5.229 1.00 0.00 N ATOM 880 CD2 HIS A 58 -10.324 -15.049 6.266 1.00 0.00 C ATOM 881 CE1 HIS A 58 -8.168 -15.202 6.129 1.00 0.00 C ATOM 882 NE2 HIS A 58 -9.214 -15.706 6.789 1.00 0.00 N ATOM 0 H HIS A 58 -13.231 -11.316 4.495 1.00 0.00 H new ATOM 0 HA HIS A 58 -11.409 -12.530 6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.381 -13.767 3.784 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.013 -12.671 3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.346 -15.214 6.574 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -7.144 -15.503 6.297 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.202 -16.419 7.519 1.00 0.00 H new ATOM 890 N GLU A 59 -9.600 -10.685 5.336 1.00 0.00 N ATOM 891 CA GLU A 59 -8.965 -9.345 5.189 1.00 0.00 C ATOM 892 C GLU A 59 -7.781 -9.455 4.227 1.00 0.00 C ATOM 893 O GLU A 59 -7.099 -10.459 4.180 1.00 0.00 O ATOM 894 CB GLU A 59 -8.475 -8.853 6.552 1.00 0.00 C ATOM 895 CG GLU A 59 -7.719 -9.977 7.261 1.00 0.00 C ATOM 896 CD GLU A 59 -7.528 -9.612 8.734 1.00 0.00 C ATOM 897 OE1 GLU A 59 -7.712 -8.453 9.065 1.00 0.00 O ATOM 898 OE2 GLU A 59 -7.203 -10.500 9.506 1.00 0.00 O ATOM 0 H GLU A 59 -8.966 -11.440 5.597 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.694 -8.637 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.825 -7.987 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.321 -8.530 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.272 -10.912 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.751 -10.135 6.786 1.00 0.00 H new ATOM 905 N GLU A 60 -7.532 -8.432 3.456 1.00 0.00 N ATOM 906 CA GLU A 60 -6.396 -8.487 2.496 1.00 0.00 C ATOM 907 C GLU A 60 -5.636 -7.162 2.524 1.00 0.00 C ATOM 908 O GLU A 60 -6.092 -6.184 3.083 1.00 0.00 O ATOM 909 CB GLU A 60 -6.934 -8.730 1.085 1.00 0.00 C ATOM 910 CG GLU A 60 -6.948 -10.231 0.795 1.00 0.00 C ATOM 911 CD GLU A 60 -7.478 -10.473 -0.619 1.00 0.00 C ATOM 912 OE1 GLU A 60 -7.201 -9.655 -1.481 1.00 0.00 O ATOM 913 OE2 GLU A 60 -8.152 -11.470 -0.817 1.00 0.00 O ATOM 0 H GLU A 60 -8.065 -7.563 3.450 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.724 -9.298 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.941 -8.322 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.312 -8.213 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.943 -10.640 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.574 -10.747 1.523 1.00 0.00 H new ATOM 920 N PHE A 61 -4.477 -7.126 1.926 1.00 0.00 N ATOM 921 CA PHE A 61 -3.684 -5.871 1.915 1.00 0.00 C ATOM 922 C PHE A 61 -3.153 -5.608 0.505 1.00 0.00 C ATOM 923 O PHE A 61 -2.669 -6.498 -0.164 1.00 0.00 O ATOM 924 CB PHE A 61 -2.505 -6.003 2.882 1.00 0.00 C ATOM 925 CG PHE A 61 -2.072 -7.444 2.977 1.00 0.00 C ATOM 926 CD1 PHE A 61 -1.249 -7.989 1.988 1.00 0.00 C ATOM 927 CD2 PHE A 61 -2.492 -8.233 4.055 1.00 0.00 C ATOM 928 CE1 PHE A 61 -0.843 -9.327 2.075 1.00 0.00 C ATOM 929 CE2 PHE A 61 -2.086 -9.569 4.143 1.00 0.00 C ATOM 930 CZ PHE A 61 -1.261 -10.117 3.153 1.00 0.00 C ATOM 0 H PHE A 61 -4.046 -7.915 1.444 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.321 -5.042 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.673 -5.387 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.790 -5.635 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.926 -7.379 1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.129 -7.810 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.208 -9.749 1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.409 -10.178 4.975 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.947 -11.148 3.221 1.00 0.00 H new ATOM 940 N ILE A 62 -3.232 -4.386 0.051 1.00 0.00 N ATOM 941 CA ILE A 62 -2.725 -4.062 -1.314 1.00 0.00 C ATOM 942 C ILE A 62 -1.452 -3.218 -1.187 1.00 0.00 C ATOM 943 O ILE A 62 -0.778 -3.245 -0.176 1.00 0.00 O ATOM 944 CB ILE A 62 -3.785 -3.274 -2.098 1.00 0.00 C ATOM 945 CG1 ILE A 62 -5.174 -3.522 -1.500 1.00 0.00 C ATOM 946 CG2 ILE A 62 -3.781 -3.731 -3.558 1.00 0.00 C ATOM 947 CD1 ILE A 62 -6.190 -2.592 -2.166 1.00 0.00 C ATOM 0 H ILE A 62 -3.625 -3.598 0.566 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.507 -4.987 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.552 -2.211 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.465 -4.562 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.155 -3.347 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.533 -3.173 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.798 -3.551 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.009 -4.796 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.178 -2.768 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.901 -1.555 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.216 -2.789 -3.238 1.00 0.00 H new ATOM 959 N TYR A 63 -1.118 -2.470 -2.202 1.00 0.00 N ATOM 960 CA TYR A 63 0.110 -1.628 -2.140 1.00 0.00 C ATOM 961 C TYR A 63 0.162 -0.724 -3.374 1.00 0.00 C ATOM 962 O TYR A 63 0.029 -1.178 -4.493 1.00 0.00 O ATOM 963 CB TYR A 63 1.347 -2.535 -2.102 1.00 0.00 C ATOM 964 CG TYR A 63 2.583 -1.742 -2.468 1.00 0.00 C ATOM 965 CD1 TYR A 63 2.885 -1.507 -3.814 1.00 0.00 C ATOM 966 CD2 TYR A 63 3.424 -1.247 -1.464 1.00 0.00 C ATOM 967 CE1 TYR A 63 4.029 -0.777 -4.158 1.00 0.00 C ATOM 968 CE2 TYR A 63 4.567 -0.516 -1.809 1.00 0.00 C ATOM 969 CZ TYR A 63 4.870 -0.281 -3.155 1.00 0.00 C ATOM 970 OH TYR A 63 5.997 0.440 -3.494 1.00 0.00 O ATOM 0 H TYR A 63 -1.644 -2.405 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 63 0.092 -1.011 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.462 -2.965 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.220 -3.366 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.235 -1.889 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.191 -1.429 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.263 -0.597 -5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.216 -0.133 -1.035 1.00 0.00 H new ATOM 0 HH TYR A 63 6.575 0.533 -2.708 1.00 0.00 H new ATOM 980 N LEU A 64 0.355 0.552 -3.181 1.00 0.00 N ATOM 981 CA LEU A 64 0.414 1.480 -4.344 1.00 0.00 C ATOM 982 C LEU A 64 1.331 2.659 -4.014 1.00 0.00 C ATOM 983 O LEU A 64 2.098 2.616 -3.073 1.00 0.00 O ATOM 984 CB LEU A 64 -0.991 2.000 -4.658 1.00 0.00 C ATOM 985 CG LEU A 64 -1.559 2.705 -3.425 1.00 0.00 C ATOM 986 CD1 LEU A 64 -2.356 3.937 -3.861 1.00 0.00 C ATOM 987 CD2 LEU A 64 -2.482 1.745 -2.672 1.00 0.00 C ATOM 0 H LEU A 64 0.474 0.991 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 64 0.806 0.947 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.955 2.690 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.640 1.174 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.741 3.013 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.760 4.439 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.701 4.622 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.175 3.629 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.888 2.245 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.299 1.439 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.917 0.866 -2.361 1.00 0.00 H new ATOM 999 N SER A 65 1.256 3.712 -4.781 1.00 0.00 N ATOM 1000 CA SER A 65 2.124 4.894 -4.512 1.00 0.00 C ATOM 1001 C SER A 65 1.603 6.100 -5.296 1.00 0.00 C ATOM 1002 O SER A 65 1.351 6.019 -6.482 1.00 0.00 O ATOM 1003 CB SER A 65 3.556 4.581 -4.947 1.00 0.00 C ATOM 1004 OG SER A 65 4.411 4.627 -3.812 1.00 0.00 O ATOM 0 H SER A 65 0.632 3.805 -5.582 1.00 0.00 H new ATOM 0 HA SER A 65 2.109 5.122 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.601 3.596 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.887 5.301 -5.696 1.00 0.00 H new ATOM 0 HG SER A 65 5.330 4.425 -4.086 1.00 0.00 H new ATOM 1010 N GLY A 66 1.442 7.220 -4.646 1.00 0.00 N ATOM 1011 CA GLY A 66 0.936 8.429 -5.357 1.00 0.00 C ATOM 1012 C GLY A 66 -0.545 8.243 -5.690 1.00 0.00 C ATOM 1013 O GLY A 66 -1.044 7.137 -5.744 1.00 0.00 O ATOM 0 H GLY A 66 1.639 7.351 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.071 9.313 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.507 8.592 -6.271 1.00 0.00 H new ATOM 1017 N GLY A 67 -1.252 9.317 -5.915 1.00 0.00 N ATOM 1018 CA GLY A 67 -2.701 9.199 -6.245 1.00 0.00 C ATOM 1019 C GLY A 67 -3.520 10.068 -5.288 1.00 0.00 C ATOM 1020 O GLY A 67 -2.989 10.688 -4.388 1.00 0.00 O ATOM 0 H GLY A 67 -0.889 10.270 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.876 9.511 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.018 8.159 -6.169 1.00 0.00 H new ATOM 1024 N ILE A 68 -4.811 10.116 -5.475 1.00 0.00 N ATOM 1025 CA ILE A 68 -5.666 10.940 -4.573 1.00 0.00 C ATOM 1026 C ILE A 68 -6.732 10.050 -3.935 1.00 0.00 C ATOM 1027 O ILE A 68 -7.256 9.149 -4.558 1.00 0.00 O ATOM 1028 CB ILE A 68 -6.345 12.050 -5.380 1.00 0.00 C ATOM 1029 CG1 ILE A 68 -5.288 13.035 -5.886 1.00 0.00 C ATOM 1030 CG2 ILE A 68 -7.344 12.791 -4.487 1.00 0.00 C ATOM 1031 CD1 ILE A 68 -5.973 14.200 -6.603 1.00 0.00 C ATOM 0 H ILE A 68 -5.311 9.620 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.048 11.387 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.869 11.612 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.694 13.407 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.601 12.530 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.828 13.582 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.098 12.091 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.818 13.228 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.219 14.900 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.547 13.820 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.642 14.711 -5.910 1.00 0.00 H new ATOM 1043 N LEU A 69 -7.055 10.293 -2.695 1.00 0.00 N ATOM 1044 CA LEU A 69 -8.084 9.459 -2.018 1.00 0.00 C ATOM 1045 C LEU A 69 -9.379 10.266 -1.870 1.00 0.00 C ATOM 1046 O LEU A 69 -9.371 11.404 -1.444 1.00 0.00 O ATOM 1047 CB LEU A 69 -7.563 9.044 -0.635 1.00 0.00 C ATOM 1048 CG LEU A 69 -8.730 8.611 0.255 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -8.252 7.547 1.244 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -9.251 9.826 1.025 1.00 0.00 C ATOM 0 H LEU A 69 -6.650 11.033 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.288 8.567 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.849 8.226 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.031 9.876 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.528 8.197 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.084 7.239 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.875 6.684 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.456 7.959 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.083 9.524 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.452 10.235 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.590 10.585 0.320 1.00 0.00 H new ATOM 1062 N GLU A 70 -10.492 9.676 -2.215 1.00 0.00 N ATOM 1063 CA GLU A 70 -11.792 10.394 -2.094 1.00 0.00 C ATOM 1064 C GLU A 70 -12.816 9.459 -1.449 1.00 0.00 C ATOM 1065 O GLU A 70 -13.209 8.465 -2.027 1.00 0.00 O ATOM 1066 CB GLU A 70 -12.281 10.805 -3.485 1.00 0.00 C ATOM 1067 CG GLU A 70 -13.557 11.638 -3.355 1.00 0.00 C ATOM 1068 CD GLU A 70 -14.696 10.951 -4.111 1.00 0.00 C ATOM 1069 OE1 GLU A 70 -14.612 9.749 -4.302 1.00 0.00 O ATOM 1070 OE2 GLU A 70 -15.631 11.637 -4.485 1.00 0.00 O ATOM 0 H GLU A 70 -10.556 8.724 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.666 11.286 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.510 11.380 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.473 9.919 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.822 11.754 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.393 12.639 -3.755 1.00 0.00 H new ATOM 1077 N VAL A 71 -13.247 9.757 -0.253 1.00 0.00 N ATOM 1078 CA VAL A 71 -14.237 8.866 0.418 1.00 0.00 C ATOM 1079 C VAL A 71 -15.646 9.450 0.276 1.00 0.00 C ATOM 1080 O VAL A 71 -15.822 10.630 0.048 1.00 0.00 O ATOM 1081 CB VAL A 71 -13.878 8.730 1.902 1.00 0.00 C ATOM 1082 CG1 VAL A 71 -14.331 9.975 2.667 1.00 0.00 C ATOM 1083 CG2 VAL A 71 -14.577 7.499 2.482 1.00 0.00 C ATOM 0 H VAL A 71 -12.959 10.574 0.286 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.213 7.883 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.798 8.623 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.072 9.869 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.834 10.854 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -15.411 10.090 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.323 7.400 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.656 7.610 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.250 6.608 1.945 1.00 0.00 H new ATOM 1093 N GLN A 72 -16.649 8.626 0.411 1.00 0.00 N ATOM 1094 CA GLN A 72 -18.048 9.122 0.288 1.00 0.00 C ATOM 1095 C GLN A 72 -18.921 8.444 1.348 1.00 0.00 C ATOM 1096 O GLN A 72 -18.496 7.506 1.993 1.00 0.00 O ATOM 1097 CB GLN A 72 -18.585 8.794 -1.106 1.00 0.00 C ATOM 1098 CG GLN A 72 -18.725 10.086 -1.914 1.00 0.00 C ATOM 1099 CD GLN A 72 -17.801 10.032 -3.130 1.00 0.00 C ATOM 1100 OE1 GLN A 72 -16.795 9.351 -3.114 1.00 0.00 O ATOM 1101 NE2 GLN A 72 -18.100 10.726 -4.194 1.00 0.00 N ATOM 0 H GLN A 72 -16.559 7.628 0.602 1.00 0.00 H new ATOM 0 HA GLN A 72 -18.068 10.202 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -17.911 8.105 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -19.551 8.295 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -19.758 10.216 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -18.474 10.945 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -18.944 11.298 -4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -17.489 10.696 -5.011 1.00 0.00 H new ATOM 1110 N PRO A 73 -20.120 8.945 1.498 1.00 0.00 N ATOM 1111 CA PRO A 73 -21.088 8.415 2.475 1.00 0.00 C ATOM 1112 C PRO A 73 -21.736 7.130 1.948 1.00 0.00 C ATOM 1113 O PRO A 73 -22.886 7.119 1.559 1.00 0.00 O ATOM 1114 CB PRO A 73 -22.122 9.538 2.599 1.00 0.00 C ATOM 1115 CG PRO A 73 -22.012 10.376 1.303 1.00 0.00 C ATOM 1116 CD PRO A 73 -20.623 10.086 0.706 1.00 0.00 C ATOM 0 HA PRO A 73 -20.633 8.153 3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -23.126 9.131 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.925 10.153 3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -22.800 10.106 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -22.127 11.438 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.689 9.838 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.965 10.951 0.790 1.00 0.00 H new ATOM 1124 N GLY A 74 -21.007 6.048 1.937 1.00 0.00 N ATOM 1125 CA GLY A 74 -21.584 4.766 1.439 1.00 0.00 C ATOM 1126 C GLY A 74 -20.609 4.110 0.460 1.00 0.00 C ATOM 1127 O GLY A 74 -20.734 2.948 0.130 1.00 0.00 O ATOM 0 H GLY A 74 -20.038 5.995 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.782 4.095 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -22.539 4.952 0.947 1.00 0.00 H new ATOM 1131 N ASN A 75 -19.639 4.845 -0.007 1.00 0.00 N ATOM 1132 CA ASN A 75 -18.659 4.260 -0.964 1.00 0.00 C ATOM 1133 C ASN A 75 -17.443 5.183 -1.074 1.00 0.00 C ATOM 1134 O ASN A 75 -17.474 6.316 -0.641 1.00 0.00 O ATOM 1135 CB ASN A 75 -19.313 4.110 -2.339 1.00 0.00 C ATOM 1136 CG ASN A 75 -19.525 5.493 -2.957 1.00 0.00 C ATOM 1137 OD1 ASN A 75 -18.589 6.251 -3.116 1.00 0.00 O ATOM 1138 ND2 ASN A 75 -20.727 5.857 -3.316 1.00 0.00 N ATOM 0 H ASN A 75 -19.482 5.824 0.232 1.00 0.00 H new ATOM 0 HA ASN A 75 -18.342 3.281 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -18.683 3.502 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.267 3.592 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -20.879 6.777 -3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -21.513 5.221 -3.183 1.00 0.00 H new ATOM 1145 N VAL A 76 -16.369 4.707 -1.645 1.00 0.00 N ATOM 1146 CA VAL A 76 -15.156 5.558 -1.774 1.00 0.00 C ATOM 1147 C VAL A 76 -14.330 5.085 -2.975 1.00 0.00 C ATOM 1148 O VAL A 76 -14.268 3.911 -3.275 1.00 0.00 O ATOM 1149 CB VAL A 76 -14.330 5.441 -0.488 1.00 0.00 C ATOM 1150 CG1 VAL A 76 -14.312 3.986 -0.027 1.00 0.00 C ATOM 1151 CG2 VAL A 76 -12.896 5.907 -0.745 1.00 0.00 C ATOM 0 H VAL A 76 -16.281 3.765 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.441 6.599 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.779 6.067 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.725 3.901 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.332 3.652 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.866 3.364 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.315 5.821 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.445 5.286 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.904 6.947 -1.073 1.00 0.00 H new ATOM 1161 N THR A 77 -13.689 5.995 -3.660 1.00 0.00 N ATOM 1162 CA THR A 77 -12.863 5.603 -4.836 1.00 0.00 C ATOM 1163 C THR A 77 -11.549 6.389 -4.811 1.00 0.00 C ATOM 1164 O THR A 77 -11.515 7.549 -4.452 1.00 0.00 O ATOM 1165 CB THR A 77 -13.624 5.922 -6.125 1.00 0.00 C ATOM 1166 OG1 THR A 77 -14.986 5.546 -5.973 1.00 0.00 O ATOM 1167 CG2 THR A 77 -13.006 5.147 -7.289 1.00 0.00 C ATOM 0 H THR A 77 -13.703 6.994 -3.454 1.00 0.00 H new ATOM 0 HA THR A 77 -12.653 4.534 -4.796 1.00 0.00 H new ATOM 0 HB THR A 77 -13.562 6.991 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.476 5.751 -6.797 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.549 5.375 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.961 5.435 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.067 4.078 -7.087 1.00 0.00 H new ATOM 1175 N VAL A 78 -10.466 5.767 -5.190 1.00 0.00 N ATOM 1176 CA VAL A 78 -9.158 6.478 -5.187 1.00 0.00 C ATOM 1177 C VAL A 78 -8.337 6.029 -6.400 1.00 0.00 C ATOM 1178 O VAL A 78 -8.376 4.880 -6.794 1.00 0.00 O ATOM 1179 CB VAL A 78 -8.403 6.150 -3.894 1.00 0.00 C ATOM 1180 CG1 VAL A 78 -9.377 6.182 -2.715 1.00 0.00 C ATOM 1181 CG2 VAL A 78 -7.781 4.753 -3.996 1.00 0.00 C ATOM 0 H VAL A 78 -10.431 4.796 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.322 7.554 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.615 6.887 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.842 5.949 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.820 7.175 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.164 5.445 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.246 4.525 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.568 4.015 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.087 4.724 -4.836 1.00 0.00 H new ATOM 1191 N LEU A 79 -7.597 6.922 -6.998 1.00 0.00 N ATOM 1192 CA LEU A 79 -6.782 6.536 -8.185 1.00 0.00 C ATOM 1193 C LEU A 79 -5.296 6.718 -7.871 1.00 0.00 C ATOM 1194 O LEU A 79 -4.909 7.604 -7.135 1.00 0.00 O ATOM 1195 CB LEU A 79 -7.159 7.422 -9.375 1.00 0.00 C ATOM 1196 CG LEU A 79 -8.439 6.894 -10.023 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -9.651 7.565 -9.374 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -8.421 7.215 -11.519 1.00 0.00 C ATOM 0 H LEU A 79 -7.521 7.900 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.977 5.492 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.305 8.450 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.349 7.434 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.501 5.815 -9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.565 7.190 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.664 7.340 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.589 8.644 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.333 6.839 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.361 8.294 -11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.556 6.740 -11.983 1.00 0.00 H new ATOM 1210 N ALA A 80 -4.459 5.887 -8.429 1.00 0.00 N ATOM 1211 CA ALA A 80 -2.998 6.011 -8.171 1.00 0.00 C ATOM 1212 C ALA A 80 -2.234 5.790 -9.479 1.00 0.00 C ATOM 1213 O ALA A 80 -2.821 5.658 -10.534 1.00 0.00 O ATOM 1214 CB ALA A 80 -2.568 4.964 -7.143 1.00 0.00 C ATOM 0 H ALA A 80 -4.725 5.126 -9.054 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.779 7.006 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.498 5.056 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.114 5.121 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.784 3.967 -7.527 1.00 0.00 H new ATOM 1220 N ASP A 81 -0.932 5.751 -9.420 1.00 0.00 N ATOM 1221 CA ASP A 81 -0.138 5.541 -10.663 1.00 0.00 C ATOM 1222 C ASP A 81 0.408 4.113 -10.687 1.00 0.00 C ATOM 1223 O ASP A 81 0.322 3.422 -11.684 1.00 0.00 O ATOM 1224 CB ASP A 81 1.026 6.533 -10.699 1.00 0.00 C ATOM 1225 CG ASP A 81 1.975 6.168 -11.842 1.00 0.00 C ATOM 1226 OD1 ASP A 81 1.515 6.108 -12.971 1.00 0.00 O ATOM 1227 OD2 ASP A 81 3.145 5.955 -11.569 1.00 0.00 O ATOM 0 H ASP A 81 -0.384 5.855 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.777 5.699 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.649 7.547 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.561 6.517 -9.749 1.00 0.00 H new ATOM 1232 N THR A 82 0.972 3.663 -9.600 1.00 0.00 N ATOM 1233 CA THR A 82 1.523 2.280 -9.567 1.00 0.00 C ATOM 1234 C THR A 82 0.534 1.349 -8.861 1.00 0.00 C ATOM 1235 O THR A 82 -0.551 1.749 -8.489 1.00 0.00 O ATOM 1236 CB THR A 82 2.857 2.280 -8.814 1.00 0.00 C ATOM 1237 OG1 THR A 82 3.533 1.052 -9.050 1.00 0.00 O ATOM 1238 CG2 THR A 82 2.603 2.444 -7.314 1.00 0.00 C ATOM 0 H THR A 82 1.075 4.193 -8.735 1.00 0.00 H new ATOM 0 HA THR A 82 1.682 1.929 -10.587 1.00 0.00 H new ATOM 0 HB THR A 82 3.471 3.108 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.487 1.161 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.554 2.444 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.087 3.387 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.987 1.619 -6.957 1.00 0.00 H new ATOM 1246 N ALA A 83 0.900 0.109 -8.677 1.00 0.00 N ATOM 1247 CA ALA A 83 -0.019 -0.847 -7.995 1.00 0.00 C ATOM 1248 C ALA A 83 0.660 -2.213 -7.886 1.00 0.00 C ATOM 1249 O ALA A 83 0.363 -3.127 -8.630 1.00 0.00 O ATOM 1250 CB ALA A 83 -1.309 -0.981 -8.808 1.00 0.00 C ATOM 0 H ALA A 83 1.795 -0.283 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.256 -0.478 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.982 -1.680 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.792 -0.007 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.074 -1.352 -9.806 1.00 0.00 H new ATOM 1256 N ILE A 84 1.573 -2.358 -6.965 1.00 0.00 N ATOM 1257 CA ILE A 84 2.273 -3.664 -6.812 1.00 0.00 C ATOM 1258 C ILE A 84 1.762 -4.381 -5.560 1.00 0.00 C ATOM 1259 O ILE A 84 2.420 -4.408 -4.539 1.00 0.00 O ATOM 1260 CB ILE A 84 3.777 -3.422 -6.683 1.00 0.00 C ATOM 1261 CG1 ILE A 84 4.331 -2.941 -8.026 1.00 0.00 C ATOM 1262 CG2 ILE A 84 4.471 -4.724 -6.283 1.00 0.00 C ATOM 1263 CD1 ILE A 84 4.133 -1.429 -8.147 1.00 0.00 C ATOM 0 H ILE A 84 1.864 -1.630 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 84 2.076 -4.284 -7.687 1.00 0.00 H new ATOM 0 HB ILE A 84 3.960 -2.665 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.390 -3.187 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.824 -3.452 -8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.543 -4.551 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.076 -5.068 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.290 -5.482 -7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.527 -1.086 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.070 -1.195 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.660 -0.927 -7.336 1.00 0.00 H new ATOM 1275 N ARG A 85 0.598 -4.967 -5.632 1.00 0.00 N ATOM 1276 CA ARG A 85 0.052 -5.686 -4.446 1.00 0.00 C ATOM 1277 C ARG A 85 1.152 -6.559 -3.837 1.00 0.00 C ATOM 1278 O ARG A 85 2.054 -6.997 -4.522 1.00 0.00 O ATOM 1279 CB ARG A 85 -1.119 -6.570 -4.886 1.00 0.00 C ATOM 1280 CG ARG A 85 -1.879 -7.069 -3.655 1.00 0.00 C ATOM 1281 CD ARG A 85 -2.162 -8.565 -3.804 1.00 0.00 C ATOM 1282 NE ARG A 85 -3.330 -8.936 -2.958 1.00 0.00 N ATOM 1283 CZ ARG A 85 -3.142 -9.410 -1.756 1.00 0.00 C ATOM 1284 NH1 ARG A 85 -2.176 -10.259 -1.533 1.00 0.00 N ATOM 1285 NH2 ARG A 85 -3.920 -9.035 -0.778 1.00 0.00 N ATOM 0 H ARG A 85 0.002 -4.979 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.295 -4.966 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.789 -6.006 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.751 -7.416 -5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.294 -6.886 -2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.814 -6.520 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.364 -8.806 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.287 -9.143 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.277 -8.820 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.568 -10.552 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.029 -10.629 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.675 -8.372 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.773 -9.405 0.161 1.00 0.00 H new ATOM 1299 N GLY A 86 1.088 -6.815 -2.556 1.00 0.00 N ATOM 1300 CA GLY A 86 2.135 -7.659 -1.910 1.00 0.00 C ATOM 1301 C GLY A 86 2.466 -8.848 -2.813 1.00 0.00 C ATOM 1302 O GLY A 86 3.616 -9.170 -3.036 1.00 0.00 O ATOM 0 H GLY A 86 0.357 -6.476 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.032 -7.067 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.784 -8.013 -0.940 1.00 0.00 H new ATOM 1306 N GLN A 87 1.469 -9.503 -3.342 1.00 0.00 N ATOM 1307 CA GLN A 87 1.734 -10.667 -4.233 1.00 0.00 C ATOM 1308 C GLN A 87 2.501 -10.194 -5.468 1.00 0.00 C ATOM 1309 O GLN A 87 3.688 -10.419 -5.600 1.00 0.00 O ATOM 1310 CB GLN A 87 0.406 -11.289 -4.669 1.00 0.00 C ATOM 1311 CG GLN A 87 0.314 -12.718 -4.134 1.00 0.00 C ATOM 1312 CD GLN A 87 -0.205 -13.644 -5.235 1.00 0.00 C ATOM 1313 OE1 GLN A 87 0.519 -14.488 -5.725 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -1.437 -13.522 -5.647 1.00 0.00 N ATOM 0 H GLN A 87 0.484 -9.283 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 87 2.325 -11.409 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.427 -10.694 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.332 -11.291 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.294 -13.054 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.352 -12.752 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.045 -12.813 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.793 -14.135 -6.380 1.00 0.00 H new ATOM 1323 N ASP A 88 1.830 -9.536 -6.372 1.00 0.00 N ATOM 1324 CA ASP A 88 2.513 -9.043 -7.600 1.00 0.00 C ATOM 1325 C ASP A 88 3.308 -10.184 -8.237 1.00 0.00 C ATOM 1326 O ASP A 88 4.401 -9.991 -8.731 1.00 0.00 O ATOM 1327 CB ASP A 88 3.461 -7.901 -7.232 1.00 0.00 C ATOM 1328 CG ASP A 88 3.880 -7.157 -8.502 1.00 0.00 C ATOM 1329 OD1 ASP A 88 3.000 -6.718 -9.224 1.00 0.00 O ATOM 1330 OD2 ASP A 88 5.072 -7.037 -8.729 1.00 0.00 O ATOM 0 H ASP A 88 0.835 -9.318 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 88 1.768 -8.682 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.971 -7.215 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.340 -8.294 -6.721 1.00 0.00 H new ATOM 1335 N LEU A 89 2.768 -11.370 -8.232 1.00 0.00 N ATOM 1336 CA LEU A 89 3.493 -12.519 -8.841 1.00 0.00 C ATOM 1337 C LEU A 89 4.835 -12.714 -8.131 1.00 0.00 C ATOM 1338 O LEU A 89 5.415 -11.779 -7.614 1.00 0.00 O ATOM 1339 CB LEU A 89 3.739 -12.235 -10.324 1.00 0.00 C ATOM 1340 CG LEU A 89 3.746 -13.550 -11.104 1.00 0.00 C ATOM 1341 CD1 LEU A 89 2.423 -13.705 -11.856 1.00 0.00 C ATOM 1342 CD2 LEU A 89 4.902 -13.537 -12.106 1.00 0.00 C ATOM 0 H LEU A 89 1.856 -11.593 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 89 2.893 -13.423 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.963 -11.575 -10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.690 -11.719 -10.453 1.00 0.00 H new ATOM 0 HG LEU A 89 3.870 -14.384 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.428 -14.643 -12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.598 -13.710 -11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.299 -12.873 -12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.910 -14.473 -12.664 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.775 -12.704 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.845 -13.425 -11.572 1.00 0.00 H new ATOM 1354 N ASP A 90 5.332 -13.919 -8.104 1.00 0.00 N ATOM 1355 CA ASP A 90 6.636 -14.172 -7.429 1.00 0.00 C ATOM 1356 C ASP A 90 6.510 -13.863 -5.936 1.00 0.00 C ATOM 1357 O ASP A 90 5.424 -13.708 -5.413 1.00 0.00 O ATOM 1358 CB ASP A 90 7.715 -13.277 -8.046 1.00 0.00 C ATOM 1359 CG ASP A 90 8.671 -14.131 -8.880 1.00 0.00 C ATOM 1360 OD1 ASP A 90 8.733 -15.324 -8.637 1.00 0.00 O ATOM 1361 OD2 ASP A 90 9.326 -13.576 -9.747 1.00 0.00 O ATOM 0 H ASP A 90 4.892 -14.740 -8.520 1.00 0.00 H new ATOM 0 HA ASP A 90 6.913 -15.218 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.254 -12.512 -8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.265 -12.758 -7.261 1.00 0.00 H new ATOM 1366 N GLU A 91 7.614 -13.770 -5.249 1.00 0.00 N ATOM 1367 CA GLU A 91 7.567 -13.469 -3.790 1.00 0.00 C ATOM 1368 C GLU A 91 8.995 -13.346 -3.257 1.00 0.00 C ATOM 1369 O GLU A 91 9.348 -12.377 -2.616 1.00 0.00 O ATOM 1370 CB GLU A 91 6.844 -14.600 -3.056 1.00 0.00 C ATOM 1371 CG GLU A 91 7.356 -15.949 -3.564 1.00 0.00 C ATOM 1372 CD GLU A 91 6.338 -17.041 -3.228 1.00 0.00 C ATOM 1373 OE1 GLU A 91 5.589 -16.855 -2.282 1.00 0.00 O ATOM 1374 OE2 GLU A 91 6.324 -18.045 -3.921 1.00 0.00 O ATOM 0 H GLU A 91 8.550 -13.890 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 91 7.032 -12.534 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.012 -14.516 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.769 -14.523 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.517 -15.906 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.318 -16.181 -3.107 1.00 0.00 H new ATOM 1381 N ALA A 92 9.820 -14.322 -3.523 1.00 0.00 N ATOM 1382 CA ALA A 92 11.226 -14.262 -3.039 1.00 0.00 C ATOM 1383 C ALA A 92 12.016 -13.282 -3.909 1.00 0.00 C ATOM 1384 O ALA A 92 12.969 -12.673 -3.466 1.00 0.00 O ATOM 1385 CB ALA A 92 11.858 -15.653 -3.130 1.00 0.00 C ATOM 0 H ALA A 92 9.580 -15.158 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 92 11.243 -13.926 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.888 -15.609 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.292 -16.351 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.845 -15.991 -4.166 1.00 0.00 H new ATOM 1391 N ARG A 93 11.623 -13.121 -5.143 1.00 0.00 N ATOM 1392 CA ARG A 93 12.347 -12.177 -6.039 1.00 0.00 C ATOM 1393 C ARG A 93 12.087 -10.739 -5.583 1.00 0.00 C ATOM 1394 O ARG A 93 12.672 -9.801 -6.088 1.00 0.00 O ATOM 1395 CB ARG A 93 11.850 -12.354 -7.476 1.00 0.00 C ATOM 1396 CG ARG A 93 12.118 -13.788 -7.938 1.00 0.00 C ATOM 1397 CD ARG A 93 12.595 -13.777 -9.392 1.00 0.00 C ATOM 1398 NE ARG A 93 13.254 -15.075 -9.710 1.00 0.00 N ATOM 1399 CZ ARG A 93 14.496 -15.096 -10.110 1.00 0.00 C ATOM 1400 NH1 ARG A 93 15.419 -14.507 -9.402 1.00 0.00 N ATOM 1401 NH2 ARG A 93 14.814 -15.709 -11.218 1.00 0.00 N ATOM 0 H ARG A 93 10.831 -13.603 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 93 13.416 -12.384 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.783 -12.136 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.355 -11.648 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.871 -14.251 -7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.211 -14.386 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.751 -13.612 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.293 -12.955 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 93 12.734 -15.947 -9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.170 -14.030 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.390 -14.523 -9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.092 -16.171 -11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.785 -15.726 -11.531 1.00 0.00 H new ATOM 1415 N ALA A 94 11.216 -10.558 -4.626 1.00 0.00 N ATOM 1416 CA ALA A 94 10.926 -9.182 -4.134 1.00 0.00 C ATOM 1417 C ALA A 94 11.894 -8.852 -3.002 1.00 0.00 C ATOM 1418 O ALA A 94 12.156 -7.703 -2.704 1.00 0.00 O ATOM 1419 CB ALA A 94 9.488 -9.117 -3.614 1.00 0.00 C ATOM 0 H ALA A 94 10.694 -11.303 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 94 11.045 -8.464 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.276 -8.110 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.798 -9.367 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.364 -9.828 -2.797 1.00 0.00 H new ATOM 1425 N MET A 95 12.433 -9.859 -2.374 1.00 0.00 N ATOM 1426 CA MET A 95 13.393 -9.622 -1.265 1.00 0.00 C ATOM 1427 C MET A 95 14.776 -9.338 -1.854 1.00 0.00 C ATOM 1428 O MET A 95 15.571 -8.620 -1.282 1.00 0.00 O ATOM 1429 CB MET A 95 13.455 -10.869 -0.382 1.00 0.00 C ATOM 1430 CG MET A 95 12.642 -10.634 0.892 1.00 0.00 C ATOM 1431 SD MET A 95 13.394 -11.538 2.266 1.00 0.00 S ATOM 1432 CE MET A 95 12.385 -10.824 3.587 1.00 0.00 C ATOM 0 H MET A 95 12.248 -10.840 -2.583 1.00 0.00 H new ATOM 0 HA MET A 95 13.071 -8.770 -0.667 1.00 0.00 H new ATOM 0 HB2 MET A 95 13.062 -11.730 -0.923 1.00 0.00 H new ATOM 0 HB3 MET A 95 14.490 -11.097 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 95 12.605 -9.569 1.121 1.00 0.00 H new ATOM 0 HG3 MET A 95 11.614 -10.964 0.745 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.685 -11.249 4.545 1.00 0.00 H new ATOM 0 HE2 MET A 95 12.527 -9.743 3.610 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.334 -11.048 3.404 1.00 0.00 H new ATOM 1442 N GLU A 96 15.063 -9.896 -2.998 1.00 0.00 N ATOM 1443 CA GLU A 96 16.389 -9.661 -3.634 1.00 0.00 C ATOM 1444 C GLU A 96 16.514 -8.186 -4.018 1.00 0.00 C ATOM 1445 O GLU A 96 17.587 -7.617 -3.994 1.00 0.00 O ATOM 1446 CB GLU A 96 16.511 -10.525 -4.891 1.00 0.00 C ATOM 1447 CG GLU A 96 17.860 -11.246 -4.887 1.00 0.00 C ATOM 1448 CD GLU A 96 17.639 -12.739 -5.129 1.00 0.00 C ATOM 1449 OE1 GLU A 96 17.333 -13.097 -6.254 1.00 0.00 O ATOM 1450 OE2 GLU A 96 17.781 -13.500 -4.186 1.00 0.00 O ATOM 0 H GLU A 96 14.434 -10.506 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 96 17.181 -9.924 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 96 15.699 -11.251 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.422 -9.904 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 96 18.508 -10.833 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 96 18.364 -11.092 -3.933 1.00 0.00 H new ATOM 1457 N ALA A 97 15.424 -7.562 -4.374 1.00 0.00 N ATOM 1458 CA ALA A 97 15.480 -6.123 -4.759 1.00 0.00 C ATOM 1459 C ALA A 97 16.065 -5.311 -3.602 1.00 0.00 C ATOM 1460 O ALA A 97 17.118 -4.717 -3.718 1.00 0.00 O ATOM 1461 CB ALA A 97 14.068 -5.624 -5.070 1.00 0.00 C ATOM 0 H ALA A 97 14.497 -7.986 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 97 16.109 -6.005 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.108 -4.572 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.650 -6.204 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.439 -5.740 -4.188 1.00 0.00 H new ATOM 1467 N LYS A 98 15.389 -5.281 -2.484 1.00 0.00 N ATOM 1468 CA LYS A 98 15.907 -4.510 -1.319 1.00 0.00 C ATOM 1469 C LYS A 98 17.298 -5.028 -0.946 1.00 0.00 C ATOM 1470 O LYS A 98 18.127 -4.298 -0.441 1.00 0.00 O ATOM 1471 CB LYS A 98 14.959 -4.688 -0.131 1.00 0.00 C ATOM 1472 CG LYS A 98 15.437 -3.822 1.037 1.00 0.00 C ATOM 1473 CD LYS A 98 14.732 -4.263 2.321 1.00 0.00 C ATOM 1474 CE LYS A 98 15.510 -5.415 2.959 1.00 0.00 C ATOM 1475 NZ LYS A 98 14.557 -6.456 3.436 1.00 0.00 N ATOM 0 H LYS A 98 14.501 -5.757 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 98 15.970 -3.453 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.945 -4.406 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.927 -5.736 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 98 16.517 -3.913 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 98 15.225 -2.772 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.664 -3.427 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.712 -4.577 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 98 16.202 -5.845 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.109 -5.046 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.087 -7.239 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.914 -6.041 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.004 -6.816 2.632 1.00 0.00 H new ATOM 1489 N ARG A 99 17.560 -6.282 -1.192 1.00 0.00 N ATOM 1490 CA ARG A 99 18.898 -6.844 -0.851 1.00 0.00 C ATOM 1491 C ARG A 99 19.964 -6.191 -1.733 1.00 0.00 C ATOM 1492 O ARG A 99 21.091 -5.998 -1.322 1.00 0.00 O ATOM 1493 CB ARG A 99 18.893 -8.356 -1.091 1.00 0.00 C ATOM 1494 CG ARG A 99 20.295 -8.915 -0.835 1.00 0.00 C ATOM 1495 CD ARG A 99 20.187 -10.280 -0.151 1.00 0.00 C ATOM 1496 NE ARG A 99 19.933 -10.089 1.306 1.00 0.00 N ATOM 1497 CZ ARG A 99 20.833 -9.513 2.056 1.00 0.00 C ATOM 1498 NH1 ARG A 99 22.004 -10.067 2.215 1.00 0.00 N ATOM 1499 NH2 ARG A 99 20.561 -8.383 2.649 1.00 0.00 N ATOM 0 H ARG A 99 16.906 -6.942 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 99 19.120 -6.644 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 99 18.171 -8.838 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 99 18.584 -8.572 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 99 20.837 -9.010 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 99 20.863 -8.227 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 99 19.380 -10.860 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 99 21.106 -10.846 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 99 19.056 -10.409 1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 99 22.217 -10.951 1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 99 22.706 -9.616 2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 99 19.646 -7.950 2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 99 21.264 -7.933 3.235 1.00 0.00 H new ATOM 1513 N LYS A 100 19.617 -5.846 -2.943 1.00 0.00 N ATOM 1514 CA LYS A 100 20.611 -5.206 -3.848 1.00 0.00 C ATOM 1515 C LYS A 100 20.674 -3.705 -3.556 1.00 0.00 C ATOM 1516 O LYS A 100 21.653 -3.047 -3.846 1.00 0.00 O ATOM 1517 CB LYS A 100 20.192 -5.427 -5.303 1.00 0.00 C ATOM 1518 CG LYS A 100 19.717 -6.870 -5.482 1.00 0.00 C ATOM 1519 CD LYS A 100 20.602 -7.575 -6.513 1.00 0.00 C ATOM 1520 CE LYS A 100 19.912 -7.554 -7.879 1.00 0.00 C ATOM 1521 NZ LYS A 100 19.304 -8.887 -8.149 1.00 0.00 N ATOM 0 H LYS A 100 18.688 -5.980 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 100 21.593 -5.649 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 100 19.395 -4.734 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 100 21.030 -5.223 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 100 19.758 -7.398 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 100 18.677 -6.884 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 100 21.571 -7.079 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 100 20.789 -8.603 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 100 19.143 -6.781 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 100 20.633 -7.306 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.835 -8.873 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 20.047 -9.614 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.605 -9.105 -7.411 1.00 0.00 H new ATOM 1535 N ALA A 101 19.639 -3.160 -2.976 1.00 0.00 N ATOM 1536 CA ALA A 101 19.647 -1.704 -2.658 1.00 0.00 C ATOM 1537 C ALA A 101 20.326 -1.496 -1.305 1.00 0.00 C ATOM 1538 O ALA A 101 20.713 -0.399 -0.953 1.00 0.00 O ATOM 1539 CB ALA A 101 18.208 -1.186 -2.595 1.00 0.00 C ATOM 0 H ALA A 101 18.790 -3.659 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 101 20.190 -1.160 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 101 18.214 -0.121 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.722 -1.344 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.661 -1.723 -1.820 1.00 0.00 H new ATOM 1545 N GLU A 102 20.478 -2.545 -0.547 1.00 0.00 N ATOM 1546 CA GLU A 102 21.136 -2.421 0.783 1.00 0.00 C ATOM 1547 C GLU A 102 22.637 -2.198 0.581 1.00 0.00 C ATOM 1548 O GLU A 102 23.339 -1.759 1.471 1.00 0.00 O ATOM 1549 CB GLU A 102 20.907 -3.708 1.580 1.00 0.00 C ATOM 1550 CG GLU A 102 21.682 -3.646 2.898 1.00 0.00 C ATOM 1551 CD GLU A 102 20.699 -3.720 4.069 1.00 0.00 C ATOM 1552 OE1 GLU A 102 19.867 -2.834 4.175 1.00 0.00 O ATOM 1553 OE2 GLU A 102 20.798 -4.659 4.841 1.00 0.00 O ATOM 0 H GLU A 102 20.174 -3.487 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 102 20.714 -1.578 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.843 -3.839 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.231 -4.570 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.394 -4.470 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.259 -2.723 2.951 1.00 0.00 H new ATOM 1560 N GLU A 103 23.133 -2.494 -0.589 1.00 0.00 N ATOM 1561 CA GLU A 103 24.586 -2.299 -0.857 1.00 0.00 C ATOM 1562 C GLU A 103 24.828 -0.868 -1.339 1.00 0.00 C ATOM 1563 O GLU A 103 25.844 -0.269 -1.049 1.00 0.00 O ATOM 1564 CB GLU A 103 25.038 -3.281 -1.938 1.00 0.00 C ATOM 1565 CG GLU A 103 25.729 -4.479 -1.284 1.00 0.00 C ATOM 1566 CD GLU A 103 25.001 -5.764 -1.680 1.00 0.00 C ATOM 1567 OE1 GLU A 103 23.792 -5.809 -1.527 1.00 0.00 O ATOM 1568 OE2 GLU A 103 25.666 -6.683 -2.130 1.00 0.00 O ATOM 0 H GLU A 103 22.594 -2.863 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 103 25.152 -2.476 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 103 24.180 -3.616 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 103 25.720 -2.787 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 103 26.772 -4.527 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 103 25.727 -4.366 -0.200 1.00 0.00 H new ATOM 1575 N HIS A 104 23.902 -0.316 -2.075 1.00 0.00 N ATOM 1576 CA HIS A 104 24.080 1.075 -2.577 1.00 0.00 C ATOM 1577 C HIS A 104 24.014 2.055 -1.404 1.00 0.00 C ATOM 1578 O HIS A 104 24.744 3.024 -1.351 1.00 0.00 O ATOM 1579 CB HIS A 104 22.969 1.403 -3.577 1.00 0.00 C ATOM 1580 CG HIS A 104 22.928 0.346 -4.648 1.00 0.00 C ATOM 1581 ND1 HIS A 104 23.788 -0.677 -4.962 1.00 0.00 N flip ATOM 1582 CD2 HIS A 104 21.890 0.263 -5.565 1.00 0.00 C flip ATOM 1583 CE1 HIS A 104 23.295 -1.385 -6.054 1.00 0.00 C flip ATOM 1584 NE2 HIS A 104 22.150 -0.777 -6.378 1.00 0.00 N flip ATOM 0 H HIS A 104 23.030 -0.769 -2.350 1.00 0.00 H new ATOM 0 HA HIS A 104 25.049 1.161 -3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 104 22.008 1.454 -3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 104 23.145 2.382 -4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 104 21.030 0.914 -5.617 1.00 0.00 H new ATOM 0 HE1 HIS A 104 23.742 -2.242 -6.536 1.00 0.00 H new ATOM 0 HE2 HIS A 104 21.547 -1.066 -7.148 1.00 0.00 H new ATOM 1592 N ILE A 105 23.141 1.811 -0.464 1.00 0.00 N ATOM 1593 CA ILE A 105 23.027 2.730 0.703 1.00 0.00 C ATOM 1594 C ILE A 105 24.229 2.533 1.630 1.00 0.00 C ATOM 1595 O ILE A 105 24.517 3.362 2.470 1.00 0.00 O ATOM 1596 CB ILE A 105 21.738 2.422 1.464 1.00 0.00 C ATOM 1597 CG1 ILE A 105 20.534 2.723 0.568 1.00 0.00 C ATOM 1598 CG2 ILE A 105 21.669 3.293 2.720 1.00 0.00 C ATOM 1599 CD1 ILE A 105 19.270 2.126 1.191 1.00 0.00 C ATOM 0 H ILE A 105 22.503 1.015 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 105 23.007 3.762 0.354 1.00 0.00 H new ATOM 0 HB ILE A 105 21.725 1.370 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 105 20.418 3.800 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 105 20.694 2.306 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 105 20.750 3.075 3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 105 22.527 3.081 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 105 21.680 4.345 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 105 18.413 2.341 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 105 19.388 1.047 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 105 19.108 2.565 2.176 1.00 0.00 H new ATOM 1611 N SER A 106 24.931 1.444 1.484 1.00 0.00 N ATOM 1612 CA SER A 106 26.112 1.199 2.356 1.00 0.00 C ATOM 1613 C SER A 106 27.367 1.758 1.683 1.00 0.00 C ATOM 1614 O SER A 106 28.470 1.322 1.946 1.00 0.00 O ATOM 1615 CB SER A 106 26.279 -0.306 2.577 1.00 0.00 C ATOM 1616 OG SER A 106 25.732 -1.006 1.467 1.00 0.00 O ATOM 0 H SER A 106 24.738 0.714 0.799 1.00 0.00 H new ATOM 0 HA SER A 106 25.964 1.693 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 106 27.334 -0.553 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 106 25.777 -0.608 3.496 1.00 0.00 H new ATOM 0 HG SER A 106 24.956 -1.528 1.760 1.00 0.00 H new ATOM 1622 N SER A 107 27.208 2.720 0.815 1.00 0.00 N ATOM 1623 CA SER A 107 28.393 3.304 0.126 1.00 0.00 C ATOM 1624 C SER A 107 28.115 4.767 -0.229 1.00 0.00 C ATOM 1625 O SER A 107 27.044 5.285 0.017 1.00 0.00 O ATOM 1626 CB SER A 107 28.676 2.515 -1.153 1.00 0.00 C ATOM 1627 OG SER A 107 28.272 1.164 -0.970 1.00 0.00 O ATOM 0 H SER A 107 26.310 3.126 0.554 1.00 0.00 H new ATOM 0 HA SER A 107 29.258 3.252 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 107 28.139 2.957 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 107 29.738 2.560 -1.394 1.00 0.00 H new ATOM 0 HG SER A 107 27.307 1.088 -1.120 1.00 0.00 H new ATOM 1633 N SER A 108 29.075 5.437 -0.808 1.00 0.00 N ATOM 1634 CA SER A 108 28.875 6.866 -1.182 1.00 0.00 C ATOM 1635 C SER A 108 28.961 7.739 0.072 1.00 0.00 C ATOM 1636 O SER A 108 29.086 7.248 1.175 1.00 0.00 O ATOM 1637 CB SER A 108 27.501 7.038 -1.831 1.00 0.00 C ATOM 1638 OG SER A 108 27.646 7.752 -3.053 1.00 0.00 O ATOM 0 H SER A 108 29.992 5.054 -1.039 1.00 0.00 H new ATOM 0 HA SER A 108 29.649 7.167 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.049 6.064 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 108 26.833 7.576 -1.159 1.00 0.00 H new ATOM 0 HG SER A 108 26.802 7.725 -3.550 1.00 0.00 H new ATOM 1644 N HIS A 109 28.895 9.033 -0.091 1.00 0.00 N ATOM 1645 CA HIS A 109 28.973 9.938 1.091 1.00 0.00 C ATOM 1646 C HIS A 109 28.273 11.260 0.766 1.00 0.00 C ATOM 1647 O HIS A 109 27.537 11.363 -0.195 1.00 0.00 O ATOM 1648 CB HIS A 109 30.439 10.206 1.433 1.00 0.00 C ATOM 1649 CG HIS A 109 31.138 10.788 0.235 1.00 0.00 C ATOM 1650 ND1 HIS A 109 31.531 12.116 0.180 1.00 0.00 N ATOM 1651 CD2 HIS A 109 31.520 10.234 -0.963 1.00 0.00 C ATOM 1652 CE1 HIS A 109 32.122 12.315 -1.013 1.00 0.00 C ATOM 1653 NE2 HIS A 109 32.142 11.200 -1.748 1.00 0.00 N ATOM 0 H HIS A 109 28.791 9.502 -0.991 1.00 0.00 H new ATOM 0 HA HIS A 109 28.483 9.467 1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 109 30.506 10.894 2.276 1.00 0.00 H new ATOM 0 HB3 HIS A 109 30.927 9.280 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 109 31.362 9.205 -1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 109 32.530 13.261 -1.336 1.00 0.00 H new ATOM 0 HE2 HIS A 109 32.530 11.082 -2.684 1.00 0.00 H new ATOM 1661 N GLY A 110 28.496 12.271 1.561 1.00 0.00 N ATOM 1662 CA GLY A 110 27.842 13.584 1.296 1.00 0.00 C ATOM 1663 C GLY A 110 26.685 13.787 2.277 1.00 0.00 C ATOM 1664 O GLY A 110 26.400 12.938 3.099 1.00 0.00 O ATOM 0 H GLY A 110 29.102 12.245 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 110 28.567 14.391 1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 110 27.473 13.618 0.271 1.00 0.00 H new ATOM 1668 N ASP A 111 26.018 14.904 2.200 1.00 0.00 N ATOM 1669 CA ASP A 111 24.881 15.160 3.130 1.00 0.00 C ATOM 1670 C ASP A 111 23.578 14.689 2.483 1.00 0.00 C ATOM 1671 O ASP A 111 22.848 13.895 3.042 1.00 0.00 O ATOM 1672 CB ASP A 111 24.793 16.657 3.429 1.00 0.00 C ATOM 1673 CG ASP A 111 23.953 16.876 4.689 1.00 0.00 C ATOM 1674 OD1 ASP A 111 24.353 16.393 5.735 1.00 0.00 O ATOM 1675 OD2 ASP A 111 22.924 17.525 4.586 1.00 0.00 O ATOM 0 H ASP A 111 26.210 15.652 1.533 1.00 0.00 H new ATOM 0 HA ASP A 111 25.042 14.615 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 111 25.792 17.070 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 111 24.346 17.182 2.585 1.00 0.00 H new ATOM 1680 N VAL A 112 23.279 15.171 1.308 1.00 0.00 N ATOM 1681 CA VAL A 112 22.024 14.748 0.628 1.00 0.00 C ATOM 1682 C VAL A 112 22.365 14.061 -0.694 1.00 0.00 C ATOM 1683 O VAL A 112 21.501 13.778 -1.500 1.00 0.00 O ATOM 1684 CB VAL A 112 21.146 15.973 0.361 1.00 0.00 C ATOM 1685 CG1 VAL A 112 20.959 16.760 1.660 1.00 0.00 C ATOM 1686 CG2 VAL A 112 21.820 16.865 -0.683 1.00 0.00 C ATOM 0 H VAL A 112 23.850 15.839 0.790 1.00 0.00 H new ATOM 0 HA VAL A 112 21.483 14.051 1.268 1.00 0.00 H new ATOM 0 HB VAL A 112 20.174 15.649 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 112 20.334 17.632 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 112 20.479 16.125 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 112 21.931 17.084 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 112 21.195 17.738 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 112 22.792 17.189 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 112 21.953 16.305 -1.609 1.00 0.00 H new ATOM 1696 N ASP A 113 23.619 13.785 -0.922 1.00 0.00 N ATOM 1697 CA ASP A 113 24.014 13.109 -2.189 1.00 0.00 C ATOM 1698 C ASP A 113 23.278 11.770 -2.290 1.00 0.00 C ATOM 1699 O ASP A 113 22.123 11.717 -2.664 1.00 0.00 O ATOM 1700 CB ASP A 113 25.525 12.873 -2.182 1.00 0.00 C ATOM 1701 CG ASP A 113 25.919 12.041 -3.403 1.00 0.00 C ATOM 1702 OD1 ASP A 113 25.074 11.847 -4.262 1.00 0.00 O ATOM 1703 OD2 ASP A 113 27.058 11.609 -3.458 1.00 0.00 O ATOM 0 H ASP A 113 24.387 13.998 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 113 23.752 13.732 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 113 26.052 13.827 -2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 113 25.819 12.357 -1.268 1.00 0.00 H new ATOM 1708 N TYR A 114 23.924 10.687 -1.944 1.00 0.00 N ATOM 1709 CA TYR A 114 23.234 9.370 -2.008 1.00 0.00 C ATOM 1710 C TYR A 114 22.130 9.359 -0.952 1.00 0.00 C ATOM 1711 O TYR A 114 21.193 8.588 -1.016 1.00 0.00 O ATOM 1712 CB TYR A 114 24.239 8.244 -1.731 1.00 0.00 C ATOM 1713 CG TYR A 114 24.544 8.179 -0.252 1.00 0.00 C ATOM 1714 CD1 TYR A 114 25.488 9.049 0.307 1.00 0.00 C ATOM 1715 CD2 TYR A 114 23.882 7.248 0.557 1.00 0.00 C ATOM 1716 CE1 TYR A 114 25.768 8.988 1.678 1.00 0.00 C ATOM 1717 CE2 TYR A 114 24.163 7.187 1.927 1.00 0.00 C ATOM 1718 CZ TYR A 114 25.105 8.056 2.488 1.00 0.00 C ATOM 1719 OH TYR A 114 25.381 7.995 3.837 1.00 0.00 O ATOM 0 H TYR A 114 24.892 10.659 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 114 22.805 9.214 -2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 114 23.833 7.291 -2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 114 25.157 8.417 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 114 25.999 9.766 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 114 23.155 6.577 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 114 26.495 9.659 2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 114 23.652 6.469 2.551 1.00 0.00 H new ATOM 0 HH TYR A 114 24.834 7.295 4.251 1.00 0.00 H new ATOM 1729 N ALA A 115 22.239 10.227 0.016 1.00 0.00 N ATOM 1730 CA ALA A 115 21.207 10.299 1.082 1.00 0.00 C ATOM 1731 C ALA A 115 19.842 10.531 0.435 1.00 0.00 C ATOM 1732 O ALA A 115 18.815 10.160 0.968 1.00 0.00 O ATOM 1733 CB ALA A 115 21.538 11.465 2.016 1.00 0.00 C ATOM 0 H ALA A 115 23.005 10.893 0.113 1.00 0.00 H new ATOM 0 HA ALA A 115 21.188 9.370 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 115 20.786 11.526 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 115 22.519 11.305 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 115 21.546 12.395 1.448 1.00 0.00 H new ATOM 1739 N GLN A 116 19.827 11.141 -0.718 1.00 0.00 N ATOM 1740 CA GLN A 116 18.537 11.399 -1.413 1.00 0.00 C ATOM 1741 C GLN A 116 18.065 10.115 -2.097 1.00 0.00 C ATOM 1742 O GLN A 116 16.884 9.867 -2.230 1.00 0.00 O ATOM 1743 CB GLN A 116 18.737 12.495 -2.463 1.00 0.00 C ATOM 1744 CG GLN A 116 18.192 13.820 -1.926 1.00 0.00 C ATOM 1745 CD GLN A 116 17.674 14.668 -3.088 1.00 0.00 C ATOM 1746 OE1 GLN A 116 17.039 14.160 -3.991 1.00 0.00 O ATOM 1747 NE2 GLN A 116 17.922 15.950 -3.105 1.00 0.00 N ATOM 0 H GLN A 116 20.657 11.473 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 116 17.788 11.722 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 116 19.796 12.595 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 116 18.225 12.226 -3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 116 17.389 13.633 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 116 18.975 14.357 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 116 18.455 16.376 -2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 116 17.583 16.525 -3.876 1.00 0.00 H new ATOM 1756 N ALA A 117 18.981 9.292 -2.530 1.00 0.00 N ATOM 1757 CA ALA A 117 18.589 8.022 -3.202 1.00 0.00 C ATOM 1758 C ALA A 117 18.104 7.020 -2.153 1.00 0.00 C ATOM 1759 O ALA A 117 17.348 6.115 -2.446 1.00 0.00 O ATOM 1760 CB ALA A 117 19.797 7.441 -3.940 1.00 0.00 C ATOM 0 H ALA A 117 19.986 9.445 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 117 17.788 8.220 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 117 19.510 6.511 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 117 20.145 8.155 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 117 20.598 7.242 -3.228 1.00 0.00 H new ATOM 1766 N SER A 118 18.534 7.174 -0.930 1.00 0.00 N ATOM 1767 CA SER A 118 18.100 6.232 0.139 1.00 0.00 C ATOM 1768 C SER A 118 16.654 6.537 0.538 1.00 0.00 C ATOM 1769 O SER A 118 16.063 5.844 1.343 1.00 0.00 O ATOM 1770 CB SER A 118 19.012 6.393 1.357 1.00 0.00 C ATOM 1771 OG SER A 118 18.233 6.304 2.545 1.00 0.00 O ATOM 0 H SER A 118 19.168 7.913 -0.625 1.00 0.00 H new ATOM 0 HA SER A 118 18.162 5.209 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 118 19.781 5.620 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.525 7.354 1.316 1.00 0.00 H new ATOM 0 HG SER A 118 17.425 5.779 2.368 1.00 0.00 H new ATOM 1777 N ALA A 119 16.078 7.568 -0.017 1.00 0.00 N ATOM 1778 CA ALA A 119 14.672 7.914 0.334 1.00 0.00 C ATOM 1779 C ALA A 119 13.714 7.027 -0.464 1.00 0.00 C ATOM 1780 O ALA A 119 12.697 6.588 0.037 1.00 0.00 O ATOM 1781 CB ALA A 119 14.407 9.382 -0.004 1.00 0.00 C ATOM 0 H ALA A 119 16.520 8.185 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 119 14.515 7.753 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 119 13.378 9.635 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.089 10.015 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 119 14.565 9.544 -1.070 1.00 0.00 H new ATOM 1787 N GLU A 120 14.029 6.758 -1.702 1.00 0.00 N ATOM 1788 CA GLU A 120 13.134 5.898 -2.528 1.00 0.00 C ATOM 1789 C GLU A 120 13.447 4.423 -2.261 1.00 0.00 C ATOM 1790 O GLU A 120 12.849 3.539 -2.840 1.00 0.00 O ATOM 1791 CB GLU A 120 13.349 6.213 -4.012 1.00 0.00 C ATOM 1792 CG GLU A 120 14.663 5.589 -4.490 1.00 0.00 C ATOM 1793 CD GLU A 120 14.372 4.251 -5.172 1.00 0.00 C ATOM 1794 OE1 GLU A 120 13.556 4.235 -6.079 1.00 0.00 O ATOM 1795 OE2 GLU A 120 14.971 3.264 -4.777 1.00 0.00 O ATOM 0 H GLU A 120 14.866 7.096 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 120 12.095 6.097 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.517 5.825 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.372 7.292 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.166 6.262 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.336 5.440 -3.646 1.00 0.00 H new ATOM 1802 N LEU A 121 14.381 4.152 -1.391 1.00 0.00 N ATOM 1803 CA LEU A 121 14.728 2.734 -1.091 1.00 0.00 C ATOM 1804 C LEU A 121 13.694 2.149 -0.128 1.00 0.00 C ATOM 1805 O LEU A 121 13.191 1.061 -0.328 1.00 0.00 O ATOM 1806 CB LEU A 121 16.114 2.673 -0.446 1.00 0.00 C ATOM 1807 CG LEU A 121 16.898 1.502 -1.039 1.00 0.00 C ATOM 1808 CD1 LEU A 121 16.082 0.216 -0.895 1.00 0.00 C ATOM 1809 CD2 LEU A 121 17.169 1.770 -2.521 1.00 0.00 C ATOM 0 H LEU A 121 14.918 4.850 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 121 14.731 2.158 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.649 3.607 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.020 2.553 0.633 1.00 0.00 H new ATOM 0 HG LEU A 121 17.844 1.393 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.641 -0.619 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.887 0.025 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.136 0.324 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 121 17.728 0.936 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 121 16.222 1.879 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 121 17.750 2.686 -2.625 1.00 0.00 H new ATOM 1821 N ALA A 122 13.371 2.863 0.915 1.00 0.00 N ATOM 1822 CA ALA A 122 12.371 2.348 1.891 1.00 0.00 C ATOM 1823 C ALA A 122 10.998 2.263 1.220 1.00 0.00 C ATOM 1824 O ALA A 122 10.062 1.716 1.769 1.00 0.00 O ATOM 1825 CB ALA A 122 12.298 3.293 3.091 1.00 0.00 C ATOM 0 H ALA A 122 13.757 3.782 1.133 1.00 0.00 H new ATOM 0 HA ALA A 122 12.670 1.356 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.566 2.917 3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 122 13.276 3.351 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.000 4.286 2.755 1.00 0.00 H new ATOM 1831 N LYS A 123 10.868 2.801 0.038 1.00 0.00 N ATOM 1832 CA LYS A 123 9.554 2.750 -0.664 1.00 0.00 C ATOM 1833 C LYS A 123 9.278 1.321 -1.135 1.00 0.00 C ATOM 1834 O LYS A 123 8.146 0.936 -1.353 1.00 0.00 O ATOM 1835 CB LYS A 123 9.583 3.688 -1.873 1.00 0.00 C ATOM 1836 CG LYS A 123 8.156 3.939 -2.360 1.00 0.00 C ATOM 1837 CD LYS A 123 7.880 5.442 -2.386 1.00 0.00 C ATOM 1838 CE LYS A 123 8.159 5.990 -3.788 1.00 0.00 C ATOM 1839 NZ LYS A 123 7.869 7.452 -3.816 1.00 0.00 N ATOM 0 H LYS A 123 11.615 3.273 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 123 8.767 3.064 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 123 10.057 4.631 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.179 3.249 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.021 3.517 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.444 3.440 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.844 5.637 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 123 8.508 5.950 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.199 5.809 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.542 5.472 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.058 7.825 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 6.871 7.613 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.476 7.940 -3.126 1.00 0.00 H new ATOM 1853 N ALA A 124 10.304 0.530 -1.297 1.00 0.00 N ATOM 1854 CA ALA A 124 10.096 -0.873 -1.755 1.00 0.00 C ATOM 1855 C ALA A 124 9.890 -1.786 -0.543 1.00 0.00 C ATOM 1856 O ALA A 124 9.637 -2.967 -0.681 1.00 0.00 O ATOM 1857 CB ALA A 124 11.322 -1.340 -2.541 1.00 0.00 C ATOM 0 H ALA A 124 11.275 0.794 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 124 9.214 -0.916 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 124 11.170 -2.366 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.467 -0.693 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 124 12.203 -1.294 -1.901 1.00 0.00 H new ATOM 1863 N ILE A 125 9.994 -1.250 0.642 1.00 0.00 N ATOM 1864 CA ILE A 125 9.801 -2.091 1.858 1.00 0.00 C ATOM 1865 C ILE A 125 8.321 -2.082 2.252 1.00 0.00 C ATOM 1866 O ILE A 125 7.894 -2.823 3.116 1.00 0.00 O ATOM 1867 CB ILE A 125 10.656 -1.531 3.002 1.00 0.00 C ATOM 1868 CG1 ILE A 125 12.114 -1.968 2.812 1.00 0.00 C ATOM 1869 CG2 ILE A 125 10.144 -2.060 4.345 1.00 0.00 C ATOM 1870 CD1 ILE A 125 12.533 -1.766 1.354 1.00 0.00 C ATOM 0 H ILE A 125 10.204 -0.268 0.821 1.00 0.00 H new ATOM 0 HA ILE A 125 10.108 -3.117 1.652 1.00 0.00 H new ATOM 0 HB ILE A 125 10.592 -0.443 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 125 12.764 -1.391 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 125 12.228 -3.016 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.756 -1.658 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.108 -1.751 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.202 -3.148 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 125 13.569 -2.078 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 125 11.892 -2.363 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 125 12.437 -0.713 1.090 1.00 0.00 H new ATOM 1882 N ALA A 126 7.532 -1.250 1.627 1.00 0.00 N ATOM 1883 CA ALA A 126 6.083 -1.201 1.967 1.00 0.00 C ATOM 1884 C ALA A 126 5.386 -2.434 1.387 1.00 0.00 C ATOM 1885 O ALA A 126 4.485 -2.989 1.985 1.00 0.00 O ATOM 1886 CB ALA A 126 5.460 0.064 1.373 1.00 0.00 C ATOM 0 H ALA A 126 7.829 -0.603 0.896 1.00 0.00 H new ATOM 0 HA ALA A 126 5.963 -1.188 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 126 4.399 0.099 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 126 5.958 0.942 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 126 5.578 0.053 0.289 1.00 0.00 H new ATOM 1892 N GLN A 127 5.799 -2.870 0.228 1.00 0.00 N ATOM 1893 CA GLN A 127 5.162 -4.068 -0.387 1.00 0.00 C ATOM 1894 C GLN A 127 5.907 -5.330 0.056 1.00 0.00 C ATOM 1895 O GLN A 127 5.578 -6.429 -0.344 1.00 0.00 O ATOM 1896 CB GLN A 127 5.224 -3.951 -1.913 1.00 0.00 C ATOM 1897 CG GLN A 127 6.678 -4.063 -2.376 1.00 0.00 C ATOM 1898 CD GLN A 127 6.809 -5.220 -3.367 1.00 0.00 C ATOM 1899 OE1 GLN A 127 5.974 -6.103 -3.403 1.00 0.00 O ATOM 1900 NE2 GLN A 127 7.829 -5.255 -4.180 1.00 0.00 N ATOM 0 H GLN A 127 6.550 -2.448 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 127 4.122 -4.129 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.624 -4.736 -2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 127 4.802 -2.998 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.995 -3.131 -2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.332 -4.228 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.530 -4.515 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 127 7.925 -6.023 -4.845 1.00 0.00 H new ATOM 1909 N LEU A 128 6.909 -5.183 0.882 1.00 0.00 N ATOM 1910 CA LEU A 128 7.673 -6.376 1.347 1.00 0.00 C ATOM 1911 C LEU A 128 7.038 -6.926 2.626 1.00 0.00 C ATOM 1912 O LEU A 128 7.150 -8.097 2.932 1.00 0.00 O ATOM 1913 CB LEU A 128 9.122 -5.971 1.632 1.00 0.00 C ATOM 1914 CG LEU A 128 10.073 -6.885 0.858 1.00 0.00 C ATOM 1915 CD1 LEU A 128 10.158 -6.422 -0.596 1.00 0.00 C ATOM 1916 CD2 LEU A 128 11.465 -6.824 1.493 1.00 0.00 C ATOM 0 H LEU A 128 7.231 -4.289 1.254 1.00 0.00 H new ATOM 0 HA LEU A 128 7.652 -7.144 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 128 9.283 -4.933 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.326 -6.039 2.701 1.00 0.00 H new ATOM 0 HG LEU A 128 9.700 -7.909 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.836 -7.074 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.168 -6.463 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.531 -5.398 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 128 12.145 -7.475 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 128 11.836 -5.800 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 128 11.407 -7.154 2.530 1.00 0.00 H new ATOM 1928 N ARG A 129 6.375 -6.090 3.379 1.00 0.00 N ATOM 1929 CA ARG A 129 5.738 -6.566 4.640 1.00 0.00 C ATOM 1930 C ARG A 129 4.379 -7.195 4.327 1.00 0.00 C ATOM 1931 O ARG A 129 3.854 -7.975 5.097 1.00 0.00 O ATOM 1932 CB ARG A 129 5.543 -5.381 5.589 1.00 0.00 C ATOM 1933 CG ARG A 129 6.855 -5.089 6.318 1.00 0.00 C ATOM 1934 CD ARG A 129 6.553 -4.472 7.686 1.00 0.00 C ATOM 1935 NE ARG A 129 6.736 -5.503 8.746 1.00 0.00 N ATOM 1936 CZ ARG A 129 6.066 -6.621 8.693 1.00 0.00 C ATOM 1937 NH1 ARG A 129 4.824 -6.658 9.093 1.00 0.00 N ATOM 1938 NH2 ARG A 129 6.638 -7.702 8.238 1.00 0.00 N ATOM 0 H ARG A 129 6.247 -5.099 3.175 1.00 0.00 H new ATOM 0 HA ARG A 129 6.380 -7.311 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.222 -4.502 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 129 4.756 -5.604 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 129 7.428 -6.008 6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 129 7.468 -4.408 5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.214 -3.625 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 129 5.532 -4.090 7.707 1.00 0.00 H new ATOM 0 HE ARG A 129 7.386 -5.334 9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.377 -5.812 9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.301 -7.532 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.608 -7.672 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.115 -8.577 8.196 1.00 0.00 H new ATOM 1952 N VAL A 130 3.803 -6.863 3.206 1.00 0.00 N ATOM 1953 CA VAL A 130 2.477 -7.441 2.850 1.00 0.00 C ATOM 1954 C VAL A 130 2.678 -8.763 2.107 1.00 0.00 C ATOM 1955 O VAL A 130 1.848 -9.650 2.162 1.00 0.00 O ATOM 1956 CB VAL A 130 1.722 -6.462 1.952 1.00 0.00 C ATOM 1957 CG1 VAL A 130 1.408 -5.187 2.737 1.00 0.00 C ATOM 1958 CG2 VAL A 130 2.589 -6.113 0.740 1.00 0.00 C ATOM 0 H VAL A 130 4.193 -6.216 2.520 1.00 0.00 H new ATOM 0 HA VAL A 130 1.903 -7.620 3.759 1.00 0.00 H new ATOM 0 HB VAL A 130 0.792 -6.920 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.869 -4.489 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 130 0.793 -5.435 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 130 2.338 -4.728 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 130 2.052 -5.415 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 130 3.519 -5.655 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 130 2.814 -7.021 0.180 1.00 0.00 H new ATOM 1968 N ILE A 131 3.770 -8.900 1.410 1.00 0.00 N ATOM 1969 CA ILE A 131 4.025 -10.162 0.660 1.00 0.00 C ATOM 1970 C ILE A 131 4.746 -11.160 1.569 1.00 0.00 C ATOM 1971 O ILE A 131 4.844 -12.332 1.266 1.00 0.00 O ATOM 1972 CB ILE A 131 4.895 -9.849 -0.561 1.00 0.00 C ATOM 1973 CG1 ILE A 131 4.991 -11.091 -1.462 1.00 0.00 C ATOM 1974 CG2 ILE A 131 6.292 -9.416 -0.102 1.00 0.00 C ATOM 1975 CD1 ILE A 131 6.087 -12.040 -0.961 1.00 0.00 C ATOM 0 H ILE A 131 4.499 -8.192 1.327 1.00 0.00 H new ATOM 0 HA ILE A 131 3.080 -10.597 0.333 1.00 0.00 H new ATOM 0 HB ILE A 131 4.443 -9.036 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 131 4.033 -11.610 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 131 5.206 -10.788 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.909 -9.194 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 131 6.210 -8.526 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.752 -10.220 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.139 -12.912 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 131 7.047 -11.524 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 131 5.855 -12.359 0.055 1.00 0.00 H new ATOM 1987 N GLU A 132 5.254 -10.705 2.681 1.00 0.00 N ATOM 1988 CA GLU A 132 5.973 -11.627 3.603 1.00 0.00 C ATOM 1989 C GLU A 132 4.967 -12.400 4.461 1.00 0.00 C ATOM 1990 O GLU A 132 5.190 -13.542 4.812 1.00 0.00 O ATOM 1991 CB GLU A 132 6.900 -10.817 4.512 1.00 0.00 C ATOM 1992 CG GLU A 132 8.353 -11.192 4.218 1.00 0.00 C ATOM 1993 CD GLU A 132 8.815 -12.264 5.205 1.00 0.00 C ATOM 1994 OE1 GLU A 132 8.615 -13.433 4.916 1.00 0.00 O ATOM 1995 OE2 GLU A 132 9.358 -11.899 6.234 1.00 0.00 O ATOM 0 H GLU A 132 5.202 -9.735 2.991 1.00 0.00 H new ATOM 0 HA GLU A 132 6.559 -12.334 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.748 -9.750 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 132 6.666 -11.015 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.445 -11.560 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.990 -10.311 4.298 1.00 0.00 H new ATOM 2002 N LEU A 133 3.864 -11.794 4.806 1.00 0.00 N ATOM 2003 CA LEU A 133 2.861 -12.511 5.644 1.00 0.00 C ATOM 2004 C LEU A 133 1.962 -13.368 4.748 1.00 0.00 C ATOM 2005 O LEU A 133 1.055 -14.029 5.214 1.00 0.00 O ATOM 2006 CB LEU A 133 2.017 -11.492 6.421 1.00 0.00 C ATOM 2007 CG LEU A 133 0.929 -10.906 5.517 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -0.364 -11.701 5.702 1.00 0.00 C ATOM 2009 CD2 LEU A 133 0.686 -9.443 5.899 1.00 0.00 C ATOM 0 H LEU A 133 3.615 -10.840 4.546 1.00 0.00 H new ATOM 0 HA LEU A 133 3.375 -13.159 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 133 1.561 -11.972 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 133 2.655 -10.693 6.799 1.00 0.00 H new ATOM 0 HG LEU A 133 1.247 -10.963 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -1.141 -11.286 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.191 -12.744 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -0.683 -11.640 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -0.088 -9.023 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 133 0.365 -9.387 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.608 -8.876 5.773 1.00 0.00 H new ATOM 2021 N THR A 134 2.208 -13.367 3.465 1.00 0.00 N ATOM 2022 CA THR A 134 1.370 -14.185 2.544 1.00 0.00 C ATOM 2023 C THR A 134 1.972 -15.587 2.427 1.00 0.00 C ATOM 2024 O THR A 134 1.266 -16.570 2.315 1.00 0.00 O ATOM 2025 CB THR A 134 1.333 -13.526 1.163 1.00 0.00 C ATOM 2026 OG1 THR A 134 2.528 -12.781 0.963 1.00 0.00 O ATOM 2027 CG2 THR A 134 0.126 -12.591 1.074 1.00 0.00 C ATOM 0 H THR A 134 2.953 -12.835 3.016 1.00 0.00 H new ATOM 0 HA THR A 134 0.355 -14.254 2.937 1.00 0.00 H new ATOM 0 HB THR A 134 1.251 -14.295 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 134 3.294 -13.298 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 134 0.101 -12.122 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 134 -0.789 -13.163 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 134 0.205 -11.821 1.841 1.00 0.00 H new ATOM 2035 N LYS A 135 3.273 -15.688 2.456 1.00 0.00 N ATOM 2036 CA LYS A 135 3.920 -17.025 2.353 1.00 0.00 C ATOM 2037 C LYS A 135 3.852 -17.724 3.711 1.00 0.00 C ATOM 2038 O LYS A 135 3.925 -18.933 3.806 1.00 0.00 O ATOM 2039 CB LYS A 135 5.385 -16.851 1.944 1.00 0.00 C ATOM 2040 CG LYS A 135 6.108 -16.010 2.997 1.00 0.00 C ATOM 2041 CD LYS A 135 7.617 -16.232 2.883 1.00 0.00 C ATOM 2042 CE LYS A 135 8.191 -16.562 4.262 1.00 0.00 C ATOM 2043 NZ LYS A 135 9.674 -16.680 4.167 1.00 0.00 N ATOM 0 H LYS A 135 3.916 -14.901 2.547 1.00 0.00 H new ATOM 0 HA LYS A 135 3.402 -17.626 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 135 5.865 -17.825 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.447 -16.366 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.874 -14.955 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.764 -16.284 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 135 7.824 -17.045 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 135 8.097 -15.339 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 135 7.922 -15.783 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 135 7.764 -17.494 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 10.065 -16.904 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 9.920 -17.438 3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 10.073 -15.780 3.832 1.00 0.00 H new ATOM 2057 N LYS A 136 3.708 -16.967 4.766 1.00 0.00 N ATOM 2058 CA LYS A 136 3.632 -17.582 6.121 1.00 0.00 C ATOM 2059 C LYS A 136 2.171 -17.888 6.459 1.00 0.00 C ATOM 2060 O LYS A 136 1.873 -18.508 7.460 1.00 0.00 O ATOM 2061 CB LYS A 136 4.199 -16.606 7.155 1.00 0.00 C ATOM 2062 CG LYS A 136 5.379 -17.254 7.880 1.00 0.00 C ATOM 2063 CD LYS A 136 6.604 -16.344 7.774 1.00 0.00 C ATOM 2064 CE LYS A 136 6.733 -15.509 9.048 1.00 0.00 C ATOM 2065 NZ LYS A 136 8.015 -14.751 9.017 1.00 0.00 N ATOM 0 H LYS A 136 3.640 -15.949 4.747 1.00 0.00 H new ATOM 0 HA LYS A 136 4.211 -18.505 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 136 4.521 -15.687 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 136 3.426 -16.330 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.128 -17.423 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.598 -18.228 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.503 -16.943 7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.511 -15.691 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.893 -14.820 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.702 -16.156 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.103 -14.183 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.811 -15.418 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.027 -14.123 8.188 1.00 0.00 H new ATOM 2079 N ALA A 137 1.256 -17.459 5.633 1.00 0.00 N ATOM 2080 CA ALA A 137 -0.182 -17.725 5.910 1.00 0.00 C ATOM 2081 C ALA A 137 -0.596 -19.043 5.251 1.00 0.00 C ATOM 2082 O ALA A 137 -1.745 -19.437 5.298 1.00 0.00 O ATOM 2083 CB ALA A 137 -1.029 -16.582 5.346 1.00 0.00 C ATOM 0 H ALA A 137 1.444 -16.935 4.778 1.00 0.00 H new ATOM 0 HA ALA A 137 -0.337 -17.796 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -2.082 -16.776 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -0.735 -15.644 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -0.873 -16.511 4.270 1.00 0.00 H new ATOM 2089 N MET A 138 0.328 -19.729 4.637 1.00 0.00 N ATOM 2090 CA MET A 138 -0.015 -21.019 3.978 1.00 0.00 C ATOM 2091 C MET A 138 0.208 -22.170 4.961 1.00 0.00 C ATOM 2092 O MET A 138 1.229 -22.829 4.850 1.00 0.00 O ATOM 2093 CB MET A 138 0.875 -21.215 2.751 1.00 0.00 C ATOM 2094 CG MET A 138 0.126 -22.041 1.706 1.00 0.00 C ATOM 2095 SD MET A 138 0.067 -21.132 0.143 1.00 0.00 S ATOM 2096 CE MET A 138 1.347 -22.079 -0.718 1.00 0.00 C ATOM 2097 OXT MET A 138 -0.646 -22.373 5.809 1.00 0.00 O ATOM 0 H MET A 138 1.307 -19.451 4.563 1.00 0.00 H new ATOM 0 HA MET A 138 -1.060 -21.004 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 138 1.155 -20.248 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.799 -21.719 3.035 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.623 -23.001 1.562 1.00 0.00 H new ATOM 0 HG3 MET A 138 -0.885 -22.254 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 138 1.479 -21.681 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 138 2.287 -22.002 -0.171 1.00 0.00 H new ATOM 0 HE3 MET A 138 1.047 -23.125 -0.778 1.00 0.00 H new TER 2107 MET A 138