USER MOD reduce.3.24.130724 H: found=0, std=0, add=1806, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 1802 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 3 HIS : no HD1:sc= -0.0734 X(o=-2.5,f=-2.4) USER MOD Set 1.2: B 43 ASN : amide:sc= -2.41! C(o=-2.5!,f=-2.4!) USER MOD Set 2.1: B 35 THR OG1 : rot -22:sc= 0.0969 USER MOD Set 2.2: B 51 SER OG : rot -82:sc= 0.258 USER MOD Set 2.3: B 53 HIS : no HE2:sc= -0.239 X(o=0.12,f=-0.3) USER MOD Set 3.1: B 17 SER OG : rot -114:sc= 0.297 USER MOD Set 3.2: B 21 TYR OH : rot 67:sc= -1.83! USER MOD Set 3.3: B 113 HIS : no HE2:sc= -1.98 K(o=-3.5,f=-5.5) USER MOD Set 4.1: B 18 THR OG1 : rot 77:sc= 2.28 USER MOD Set 4.2: B 37 SER OG : rot 145:sc= 1.2 USER MOD Set 5.1: A 81 THR OG1 : rot 83:sc= 0.94 USER MOD Set 5.2: B 1 MET CE :methyl -155:sc= -1.42 (180deg=-2.87!) USER MOD Set 5.3: B 2 THR OG1 : rot -155:sc= 0.136 USER MOD Set 6.1: A 118 TYR OH : rot -50:sc= 0.829 USER MOD Set 6.2: B 46 LYS NZ :NH3+ -158:sc= 0.579 (180deg=0) USER MOD Set 7.1: A 21 TYR OH : rot -130:sc= -1.59! USER MOD Set 7.2: A 113 HIS : no HE2:sc= -2.57 K(o=-4.2,f=-6.6!) USER MOD Set 8.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: B 118 TYR OH : rot -61:sc= 0.794 USER MOD Set 9.1: A 18 THR OG1 : rot 73:sc= 2.28 USER MOD Set 9.2: A 37 SER OG : rot 152:sc= 1.13 USER MOD Set10.1: A 35 THR OG1 : rot -27:sc= 0.202 USER MOD Set10.2: A 51 SER OG : rot -84:sc= 0.44 USER MOD Set10.3: A 53 HIS : no HD1:sc= -0.0355 X(o=0.61,f=0.54) USER MOD Set11.1: A 19 GLN : amide:sc=-0.00872 K(o=0.84,f=-2.6) USER MOD Set11.2: A 22 LYS NZ :NH3+ 156:sc= 0.845 (180deg=0) USER MOD Set12.1: A 7 THR OG1 : rot -140:sc= 0.76 USER MOD Set12.2: B 7 THR OG1 : rot 160:sc= 0.831 USER MOD Set13.1: A 1 MET CE :methyl -137:sc= -1.01 (180deg=-2.37) USER MOD Set13.2: A 2 THR OG1 : rot -157:sc= 0.147 USER MOD Set13.3: B 81 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.696 (180deg=-0.727) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.744 USER MOD Single : A 13 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 17 SER OG : rot -28:sc= 0.668 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -179:sc= -0.045 USER MOD Single : A 43 ASN : amide:sc= -2.36 X(o=-2.4,f=-2.7!) USER MOD Single : A 45 MET CE :methyl 159:sc= -0.328 (180deg=-1.34) USER MOD Single : A 54 THR OG1 : rot -43:sc= 0.254 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc=-0.000156 (180deg=-0.0187) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 39:sc= 0.00178 USER MOD Single : A 74 ASN : amide:sc= -1.38! C(o=-1.4!,f=-3.4!) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.254) USER MOD Single : A 88 SER OG : rot -41:sc= 0.703 USER MOD Single : A 92 MET CE :methyl -134:sc= -0.84 (180deg=-3.86!) USER MOD Single : A 94 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.2!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 98 LYS NZ :NH3+ -126:sc= -0.0838 (180deg=-0.629) USER MOD Single : A 99 MET CE :methyl 162:sc= -0.325 (180deg=-1.75) USER MOD Single : A 103 TYR OH : rot -70:sc= 0.455 USER MOD Single : A 104 THR OG1 : rot -170:sc= 0.477 USER MOD Single : A 106 THR OG1 : rot 147:sc= 0.865 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -107:sc= 0.544 (180deg=-0.441) USER MOD Single : B 3 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : B 10 TYR OH : rot 180:sc= -0.59 USER MOD Single : B 13 ASN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 156:sc= 0.351 USER MOD Single : B 45 MET CE :methyl 157:sc= -0.348 (180deg=-1.59) USER MOD Single : B 54 THR OG1 : rot -44:sc= 0.211 USER MOD Single : B 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0102) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 ASN : amide:sc= -1.45! C(o=-1.5!,f=-3.1!) USER MOD Single : B 77 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 88 SER OG : rot -30:sc= 0.487 USER MOD Single : B 92 MET CE :methyl -125:sc= -1.09 (180deg=-4.15!) USER MOD Single : B 94 GLN : amide:sc= -1.78! C(o=-1.8!,f=-5.9!) USER MOD Single : B 95 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 98 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0968) USER MOD Single : B 99 MET CE :methyl 156:sc= -0.492 (180deg=-2.45) USER MOD Single : B 103 TYR OH : rot -66:sc= 0.582 USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot 152:sc= 0.244 USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.600 17.255 -1.438 1.00 0.00 N ATOM 2 CA MET A 1 3.550 17.902 -2.769 1.00 0.00 C ATOM 3 C MET A 1 3.551 16.839 -3.884 1.00 0.00 C ATOM 4 O MET A 1 2.871 16.997 -4.910 1.00 0.00 O ATOM 5 CB MET A 1 4.727 18.906 -2.934 1.00 0.00 C ATOM 6 CG MET A 1 6.137 18.282 -2.935 1.00 0.00 C ATOM 7 SD MET A 1 6.527 17.400 -1.407 1.00 0.00 S ATOM 8 CE MET A 1 8.200 16.844 -1.749 1.00 0.00 C ATOM 0 H1 MET A 1 2.934 17.730 -0.796 1.00 0.00 H new ATOM 0 H2 MET A 1 3.338 16.253 -1.529 1.00 0.00 H new ATOM 0 H3 MET A 1 4.563 17.327 -1.053 1.00 0.00 H new ATOM 0 HA MET A 1 2.622 18.467 -2.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.589 19.450 -3.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.673 19.638 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.222 17.594 -3.776 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.875 19.069 -3.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.315 15.811 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.393 16.907 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.910 17.476 -1.215 1.00 0.00 H new ATOM 18 N THR A 2 4.305 15.746 -3.671 1.00 0.00 N ATOM 19 CA THR A 2 4.401 14.642 -4.630 1.00 0.00 C ATOM 20 C THR A 2 3.234 13.663 -4.396 1.00 0.00 C ATOM 21 O THR A 2 2.925 13.327 -3.249 1.00 0.00 O ATOM 22 CB THR A 2 5.776 13.917 -4.495 1.00 0.00 C ATOM 23 OG1 THR A 2 6.829 14.896 -4.478 1.00 0.00 O ATOM 24 CG2 THR A 2 6.030 12.917 -5.640 1.00 0.00 C ATOM 0 H THR A 2 4.863 15.608 -2.828 1.00 0.00 H new ATOM 0 HA THR A 2 4.335 15.036 -5.644 1.00 0.00 H new ATOM 0 HB THR A 2 5.758 13.351 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.669 14.478 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.000 12.440 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.249 12.157 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.022 13.446 -6.593 1.00 0.00 H new ATOM 32 N HIS A 3 2.584 13.235 -5.486 1.00 0.00 N ATOM 33 CA HIS A 3 1.369 12.398 -5.443 1.00 0.00 C ATOM 34 C HIS A 3 1.728 10.900 -5.533 1.00 0.00 C ATOM 35 O HIS A 3 2.301 10.464 -6.537 1.00 0.00 O ATOM 36 CB HIS A 3 0.423 12.802 -6.600 1.00 0.00 C ATOM 37 CG HIS A 3 -0.232 14.147 -6.413 1.00 0.00 C ATOM 38 ND1 HIS A 3 0.478 15.323 -6.273 1.00 0.00 N ATOM 39 CD2 HIS A 3 -1.542 14.490 -6.316 1.00 0.00 C ATOM 40 CE1 HIS A 3 -0.364 16.321 -6.102 1.00 0.00 C ATOM 41 NE2 HIS A 3 -1.593 15.844 -6.124 1.00 0.00 N ATOM 0 H HIS A 3 2.887 13.460 -6.434 1.00 0.00 H new ATOM 0 HA HIS A 3 0.862 12.561 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.988 12.811 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.352 12.043 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.386 13.819 -6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.093 17.358 -5.966 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.444 16.395 -6.015 1.00 0.00 H new ATOM 50 N PRO A 4 1.433 10.091 -4.465 1.00 0.00 N ATOM 51 CA PRO A 4 1.531 8.630 -4.523 1.00 0.00 C ATOM 52 C PRO A 4 0.164 7.955 -4.801 1.00 0.00 C ATOM 53 O PRO A 4 -0.652 7.763 -3.896 1.00 0.00 O ATOM 54 CB PRO A 4 2.072 8.304 -3.114 1.00 0.00 C ATOM 55 CG PRO A 4 1.418 9.323 -2.214 1.00 0.00 C ATOM 56 CD PRO A 4 1.057 10.526 -3.089 1.00 0.00 C ATOM 0 HA PRO A 4 2.159 8.262 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.815 7.288 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.159 8.382 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.527 8.907 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.094 9.619 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.004 10.766 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 4 1.605 11.419 -2.788 1.00 0.00 H new ATOM 64 N ASP A 5 -0.094 7.633 -6.075 1.00 0.00 N ATOM 65 CA ASP A 5 -1.250 6.791 -6.470 1.00 0.00 C ATOM 66 C ASP A 5 -0.833 5.316 -6.570 1.00 0.00 C ATOM 67 O ASP A 5 -1.586 4.469 -7.056 1.00 0.00 O ATOM 68 CB ASP A 5 -1.862 7.286 -7.803 1.00 0.00 C ATOM 69 CG ASP A 5 -0.859 7.298 -8.959 1.00 0.00 C ATOM 70 OD1 ASP A 5 -0.134 8.311 -9.113 1.00 0.00 O ATOM 71 OD2 ASP A 5 -0.780 6.305 -9.720 1.00 0.00 O ATOM 0 H ASP A 5 0.481 7.941 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.016 6.876 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.704 6.647 -8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.257 8.292 -7.663 1.00 0.00 H new ATOM 76 N PHE A 6 0.354 5.030 -6.025 1.00 0.00 N ATOM 77 CA PHE A 6 1.011 3.737 -6.112 1.00 0.00 C ATOM 78 C PHE A 6 1.364 3.295 -4.685 1.00 0.00 C ATOM 79 O PHE A 6 2.126 3.959 -3.982 1.00 0.00 O ATOM 80 CB PHE A 6 2.272 3.850 -7.022 1.00 0.00 C ATOM 81 CG PHE A 6 3.059 2.558 -7.315 1.00 0.00 C ATOM 82 CD1 PHE A 6 2.609 1.296 -6.936 1.00 0.00 C ATOM 83 CD2 PHE A 6 4.275 2.630 -7.984 1.00 0.00 C ATOM 84 CE1 PHE A 6 3.347 0.172 -7.214 1.00 0.00 C ATOM 85 CE2 PHE A 6 5.013 1.499 -8.262 1.00 0.00 C ATOM 86 CZ PHE A 6 4.550 0.273 -7.875 1.00 0.00 C ATOM 0 H PHE A 6 0.893 5.717 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 6 0.360 2.988 -6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.961 4.277 -7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.956 4.563 -6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.667 1.200 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.651 3.594 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.981 -0.798 -6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.955 1.582 -8.784 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.127 -0.615 -8.087 1.00 0.00 H new ATOM 96 N THR A 7 0.739 2.197 -4.266 1.00 0.00 N ATOM 97 CA THR A 7 1.043 1.503 -3.015 1.00 0.00 C ATOM 98 C THR A 7 1.712 0.169 -3.345 1.00 0.00 C ATOM 99 O THR A 7 1.423 -0.434 -4.368 1.00 0.00 O ATOM 100 CB THR A 7 -0.242 1.245 -2.171 1.00 0.00 C ATOM 101 OG1 THR A 7 0.102 0.567 -0.948 1.00 0.00 O ATOM 102 CG2 THR A 7 -1.307 0.423 -2.931 1.00 0.00 C ATOM 0 H THR A 7 -0.010 1.754 -4.798 1.00 0.00 H new ATOM 0 HA THR A 7 1.707 2.133 -2.423 1.00 0.00 H new ATOM 0 HB THR A 7 -0.678 2.221 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.575 -0.113 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.178 0.276 -2.292 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.605 0.958 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.891 -0.546 -3.205 1.00 0.00 H new ATOM 110 N ILE A 8 2.629 -0.257 -2.482 1.00 0.00 N ATOM 111 CA ILE A 8 3.325 -1.543 -2.592 1.00 0.00 C ATOM 112 C ILE A 8 3.086 -2.351 -1.314 1.00 0.00 C ATOM 113 O ILE A 8 3.116 -1.801 -0.212 1.00 0.00 O ATOM 114 CB ILE A 8 4.875 -1.338 -2.814 1.00 0.00 C ATOM 115 CG1 ILE A 8 5.137 -0.480 -4.094 1.00 0.00 C ATOM 116 CG2 ILE A 8 5.618 -2.694 -2.894 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.599 -0.237 -4.423 1.00 0.00 C ATOM 0 H ILE A 8 2.917 0.289 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 8 2.932 -2.080 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 8 5.269 -0.799 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.667 -0.973 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.644 0.484 -3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.683 -2.517 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.472 -3.244 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.224 -3.276 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.673 0.367 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.076 0.288 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.100 -1.192 -4.583 1.00 0.00 H new ATOM 129 N LEU A 9 2.826 -3.652 -1.467 1.00 0.00 N ATOM 130 CA LEU A 9 2.824 -4.599 -0.344 1.00 0.00 C ATOM 131 C LEU A 9 4.236 -5.169 -0.245 1.00 0.00 C ATOM 132 O LEU A 9 4.780 -5.715 -1.215 1.00 0.00 O ATOM 133 CB LEU A 9 1.748 -5.705 -0.540 1.00 0.00 C ATOM 134 CG LEU A 9 0.300 -5.330 -0.092 1.00 0.00 C ATOM 135 CD1 LEU A 9 0.206 -5.192 1.443 1.00 0.00 C ATOM 136 CD2 LEU A 9 -0.206 -4.061 -0.812 1.00 0.00 C ATOM 0 H LEU A 9 2.612 -4.079 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 9 2.559 -4.102 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.723 -5.978 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.061 -6.592 0.011 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.357 -6.148 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.814 -4.930 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.480 -6.138 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.887 -4.410 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.217 -3.830 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.453 -3.224 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.212 -4.232 -1.889 1.00 0.00 H new ATOM 148 N TYR A 10 4.811 -4.995 0.941 1.00 0.00 N ATOM 149 CA TYR A 10 6.104 -5.546 1.320 1.00 0.00 C ATOM 150 C TYR A 10 5.893 -7.036 1.679 1.00 0.00 C ATOM 151 O TYR A 10 5.287 -7.355 2.711 1.00 0.00 O ATOM 152 CB TYR A 10 6.623 -4.707 2.507 1.00 0.00 C ATOM 153 CG TYR A 10 8.060 -4.962 2.941 1.00 0.00 C ATOM 154 CD1 TYR A 10 9.122 -4.348 2.285 1.00 0.00 C ATOM 155 CD2 TYR A 10 8.358 -5.784 4.025 1.00 0.00 C ATOM 156 CE1 TYR A 10 10.416 -4.548 2.692 1.00 0.00 C ATOM 157 CE2 TYR A 10 9.659 -5.978 4.431 1.00 0.00 C ATOM 158 CZ TYR A 10 10.679 -5.361 3.766 1.00 0.00 C ATOM 159 OH TYR A 10 11.974 -5.567 4.169 1.00 0.00 O ATOM 0 H TYR A 10 4.376 -4.450 1.686 1.00 0.00 H new ATOM 0 HA TYR A 10 6.845 -5.502 0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.527 -3.653 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.971 -4.886 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.924 -3.703 1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.556 -6.277 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.228 -4.066 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.872 -6.618 5.275 1.00 0.00 H new ATOM 0 HH TYR A 10 11.984 -6.167 4.944 1.00 0.00 H new ATOM 169 N VAL A 11 6.353 -7.928 0.782 1.00 0.00 N ATOM 170 CA VAL A 11 6.101 -9.388 0.852 1.00 0.00 C ATOM 171 C VAL A 11 7.437 -10.147 0.933 1.00 0.00 C ATOM 172 O VAL A 11 8.509 -9.536 0.897 1.00 0.00 O ATOM 173 CB VAL A 11 5.269 -9.881 -0.412 1.00 0.00 C ATOM 174 CG1 VAL A 11 3.968 -9.070 -0.577 1.00 0.00 C ATOM 175 CG2 VAL A 11 6.100 -9.856 -1.726 1.00 0.00 C ATOM 0 H VAL A 11 6.917 -7.656 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 11 5.515 -9.594 1.748 1.00 0.00 H new ATOM 0 HB VAL A 11 5.008 -10.922 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.422 -9.431 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.350 -9.189 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.211 -8.016 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.482 -10.202 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.436 -8.838 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.966 -10.510 -1.621 1.00 0.00 H new ATOM 185 N ASP A 12 7.361 -11.478 1.092 1.00 0.00 N ATOM 186 CA ASP A 12 8.540 -12.364 1.131 1.00 0.00 C ATOM 187 C ASP A 12 8.649 -13.144 -0.188 1.00 0.00 C ATOM 188 O ASP A 12 9.642 -13.020 -0.911 1.00 0.00 O ATOM 189 CB ASP A 12 8.436 -13.340 2.334 1.00 0.00 C ATOM 190 CG ASP A 12 9.557 -14.405 2.373 1.00 0.00 C ATOM 191 OD1 ASP A 12 10.659 -14.108 2.872 1.00 0.00 O ATOM 192 OD2 ASP A 12 9.340 -15.541 1.913 1.00 0.00 O ATOM 0 H ASP A 12 6.476 -11.974 1.198 1.00 0.00 H new ATOM 0 HA ASP A 12 9.438 -11.759 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.462 -12.765 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.470 -13.844 2.299 1.00 0.00 H new ATOM 197 N ASN A 13 7.613 -13.959 -0.478 1.00 0.00 N ATOM 198 CA ASN A 13 7.564 -14.833 -1.666 1.00 0.00 C ATOM 199 C ASN A 13 6.980 -14.065 -2.863 1.00 0.00 C ATOM 200 O ASN A 13 5.784 -13.748 -2.842 1.00 0.00 O ATOM 201 CB ASN A 13 6.686 -16.083 -1.384 1.00 0.00 C ATOM 202 CG ASN A 13 7.203 -16.938 -0.227 1.00 0.00 C ATOM 203 OD1 ASN A 13 8.017 -17.844 -0.423 1.00 0.00 O ATOM 204 ND2 ASN A 13 6.734 -16.670 0.980 1.00 0.00 N ATOM 0 H ASN A 13 6.783 -14.028 0.110 1.00 0.00 H new ATOM 0 HA ASN A 13 8.580 -15.153 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.669 -15.761 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.637 -16.695 -2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.045 -17.219 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.062 -15.914 1.110 1.00 0.00 H new ATOM 211 N PRO A 14 7.803 -13.739 -3.916 1.00 0.00 N ATOM 212 CA PRO A 14 7.308 -13.035 -5.117 1.00 0.00 C ATOM 213 C PRO A 14 6.163 -13.800 -5.866 1.00 0.00 C ATOM 214 O PRO A 14 5.040 -13.310 -5.824 1.00 0.00 O ATOM 215 CB PRO A 14 8.579 -12.803 -5.985 1.00 0.00 C ATOM 216 CG PRO A 14 9.731 -12.987 -5.038 1.00 0.00 C ATOM 217 CD PRO A 14 9.271 -13.988 -4.003 1.00 0.00 C ATOM 0 HA PRO A 14 6.822 -12.094 -4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.629 -13.513 -6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.582 -11.805 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.614 -13.350 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.005 -12.041 -4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.488 -15.012 -4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.764 -13.830 -3.044 1.00 0.00 H new ATOM 225 N PRO A 15 6.362 -15.047 -6.474 1.00 0.00 N ATOM 226 CA PRO A 15 5.327 -15.671 -7.354 1.00 0.00 C ATOM 227 C PRO A 15 4.048 -15.992 -6.566 1.00 0.00 C ATOM 228 O PRO A 15 2.932 -15.852 -7.081 1.00 0.00 O ATOM 229 CB PRO A 15 6.002 -16.969 -7.886 1.00 0.00 C ATOM 230 CG PRO A 15 7.453 -16.823 -7.548 1.00 0.00 C ATOM 231 CD PRO A 15 7.500 -15.986 -6.292 1.00 0.00 C ATOM 0 HA PRO A 15 5.016 -15.007 -8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.576 -17.856 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.857 -17.076 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.917 -17.796 -7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.997 -16.341 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.381 -16.595 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.448 -15.457 -6.194 1.00 0.00 H new ATOM 239 N ALA A 16 4.243 -16.454 -5.319 1.00 0.00 N ATOM 240 CA ALA A 16 3.152 -16.905 -4.454 1.00 0.00 C ATOM 241 C ALA A 16 2.218 -15.748 -4.087 1.00 0.00 C ATOM 242 O ALA A 16 0.991 -15.904 -4.133 1.00 0.00 O ATOM 243 CB ALA A 16 3.710 -17.589 -3.203 1.00 0.00 C ATOM 0 H ALA A 16 5.164 -16.523 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 16 2.560 -17.635 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.886 -17.918 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.309 -18.451 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.333 -16.885 -2.651 1.00 0.00 H new ATOM 249 N SER A 17 2.795 -14.564 -3.785 1.00 0.00 N ATOM 250 CA SER A 17 1.994 -13.358 -3.513 1.00 0.00 C ATOM 251 C SER A 17 1.353 -12.871 -4.828 1.00 0.00 C ATOM 252 O SER A 17 0.235 -12.363 -4.810 1.00 0.00 O ATOM 253 CB SER A 17 2.854 -12.235 -2.876 1.00 0.00 C ATOM 254 OG SER A 17 3.868 -11.780 -3.758 1.00 0.00 O ATOM 0 H SER A 17 3.803 -14.422 -3.725 1.00 0.00 H new ATOM 0 HA SER A 17 1.213 -13.611 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.212 -11.399 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.311 -12.604 -1.958 1.00 0.00 H new ATOM 0 HG SER A 17 4.116 -12.503 -4.371 1.00 0.00 H new ATOM 260 N THR A 18 2.077 -13.021 -5.959 1.00 0.00 N ATOM 261 CA THR A 18 1.623 -12.559 -7.285 1.00 0.00 C ATOM 262 C THR A 18 0.294 -13.149 -7.774 1.00 0.00 C ATOM 263 O THR A 18 -0.653 -12.423 -8.082 1.00 0.00 O ATOM 264 CB THR A 18 2.716 -12.809 -8.378 1.00 0.00 C ATOM 265 OG1 THR A 18 3.940 -12.195 -7.970 1.00 0.00 O ATOM 266 CG2 THR A 18 2.313 -12.263 -9.768 1.00 0.00 C ATOM 0 H THR A 18 2.994 -13.467 -5.976 1.00 0.00 H new ATOM 0 HA THR A 18 1.450 -11.493 -7.138 1.00 0.00 H new ATOM 0 HB THR A 18 2.833 -13.888 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.336 -12.711 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.110 -12.466 -10.484 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.396 -12.750 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.149 -11.187 -9.703 1.00 0.00 H new ATOM 274 N GLN A 19 0.246 -14.505 -7.755 1.00 0.00 N ATOM 275 CA GLN A 19 -0.938 -15.289 -8.172 1.00 0.00 C ATOM 276 C GLN A 19 -2.064 -15.075 -7.164 1.00 0.00 C ATOM 277 O GLN A 19 -3.251 -14.997 -7.536 1.00 0.00 O ATOM 278 CB GLN A 19 -0.606 -16.805 -8.280 1.00 0.00 C ATOM 279 CG GLN A 19 0.638 -17.167 -9.125 1.00 0.00 C ATOM 280 CD GLN A 19 0.707 -16.453 -10.478 1.00 0.00 C ATOM 281 OE1 GLN A 19 0.137 -16.902 -11.475 1.00 0.00 O ATOM 282 NE2 GLN A 19 1.445 -15.356 -10.532 1.00 0.00 N ATOM 0 H GLN A 19 1.029 -15.083 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.250 -14.945 -9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.464 -17.198 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.470 -17.317 -8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.534 -16.926 -8.553 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.648 -18.244 -9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.905 -15.009 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.554 -14.858 -11.415 1.00 0.00 H new ATOM 291 N PHE A 20 -1.659 -14.976 -5.885 1.00 0.00 N ATOM 292 CA PHE A 20 -2.573 -14.738 -4.775 1.00 0.00 C ATOM 293 C PHE A 20 -3.318 -13.409 -4.990 1.00 0.00 C ATOM 294 O PHE A 20 -4.535 -13.383 -4.866 1.00 0.00 O ATOM 295 CB PHE A 20 -1.788 -14.724 -3.437 1.00 0.00 C ATOM 296 CG PHE A 20 -2.625 -14.401 -2.203 1.00 0.00 C ATOM 297 CD1 PHE A 20 -3.567 -15.306 -1.731 1.00 0.00 C ATOM 298 CD2 PHE A 20 -2.479 -13.192 -1.527 1.00 0.00 C ATOM 299 CE1 PHE A 20 -4.332 -15.011 -0.629 1.00 0.00 C ATOM 300 CE2 PHE A 20 -3.245 -12.900 -0.423 1.00 0.00 C ATOM 301 CZ PHE A 20 -4.177 -13.808 0.023 1.00 0.00 C ATOM 0 H PHE A 20 -0.683 -15.060 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.308 -15.542 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.322 -15.699 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.983 -13.993 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.699 -16.252 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.753 -12.473 -1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.059 -15.726 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.115 -11.960 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.787 -13.578 0.884 1.00 0.00 H new ATOM 311 N TYR A 21 -2.586 -12.352 -5.408 1.00 0.00 N ATOM 312 CA TYR A 21 -3.170 -11.028 -5.725 1.00 0.00 C ATOM 313 C TYR A 21 -3.944 -11.079 -7.046 1.00 0.00 C ATOM 314 O TYR A 21 -4.872 -10.292 -7.218 1.00 0.00 O ATOM 315 CB TYR A 21 -2.083 -9.909 -5.705 1.00 0.00 C ATOM 316 CG TYR A 21 -1.773 -9.400 -4.287 1.00 0.00 C ATOM 317 CD1 TYR A 21 -1.462 -10.297 -3.272 1.00 0.00 C ATOM 318 CD2 TYR A 21 -1.848 -8.047 -3.951 1.00 0.00 C ATOM 319 CE1 TYR A 21 -1.229 -9.879 -1.989 1.00 0.00 C ATOM 320 CE2 TYR A 21 -1.620 -7.626 -2.654 1.00 0.00 C ATOM 321 CZ TYR A 21 -1.311 -8.552 -1.678 1.00 0.00 C ATOM 322 OH TYR A 21 -1.101 -8.152 -0.378 1.00 0.00 O ATOM 0 H TYR A 21 -1.575 -12.392 -5.535 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.888 -10.771 -4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.167 -10.291 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.417 -9.074 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.403 -11.351 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.087 -7.320 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.980 -10.599 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.683 -6.577 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.833 -7.566 -0.094 1.00 0.00 H new ATOM 332 N LYS A 22 -3.568 -11.964 -7.987 1.00 0.00 N ATOM 333 CA LYS A 22 -4.262 -12.048 -9.288 1.00 0.00 C ATOM 334 C LYS A 22 -5.773 -12.298 -9.122 1.00 0.00 C ATOM 335 O LYS A 22 -6.598 -11.564 -9.673 1.00 0.00 O ATOM 336 CB LYS A 22 -3.603 -13.100 -10.213 1.00 0.00 C ATOM 337 CG LYS A 22 -2.282 -12.630 -10.851 1.00 0.00 C ATOM 338 CD LYS A 22 -1.522 -13.758 -11.579 1.00 0.00 C ATOM 339 CE LYS A 22 -2.331 -14.426 -12.705 1.00 0.00 C ATOM 340 NZ LYS A 22 -1.565 -15.494 -13.398 1.00 0.00 N ATOM 0 H LYS A 22 -2.798 -12.624 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.157 -11.077 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.415 -14.007 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.304 -13.363 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.493 -11.828 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.641 -12.211 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.601 -13.352 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.234 -14.517 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.245 -14.850 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.632 -13.670 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.226 -16.166 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.965 -15.069 -14.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.967 -15.995 -12.710 1.00 0.00 H new ATOM 354 N ALA A 23 -6.113 -13.318 -8.322 1.00 0.00 N ATOM 355 CA ALA A 23 -7.524 -13.632 -7.991 1.00 0.00 C ATOM 356 C ALA A 23 -8.098 -12.677 -6.907 1.00 0.00 C ATOM 357 O ALA A 23 -9.287 -12.330 -6.940 1.00 0.00 O ATOM 358 CB ALA A 23 -7.647 -15.093 -7.551 1.00 0.00 C ATOM 0 H ALA A 23 -5.435 -13.944 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.118 -13.480 -8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.687 -15.314 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.315 -15.745 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.027 -15.261 -6.671 1.00 0.00 H new ATOM 364 N LEU A 24 -7.229 -12.264 -5.962 1.00 0.00 N ATOM 365 CA LEU A 24 -7.595 -11.437 -4.777 1.00 0.00 C ATOM 366 C LEU A 24 -8.168 -10.062 -5.186 1.00 0.00 C ATOM 367 O LEU A 24 -9.277 -9.684 -4.786 1.00 0.00 O ATOM 368 CB LEU A 24 -6.318 -11.206 -3.926 1.00 0.00 C ATOM 369 CG LEU A 24 -6.473 -10.553 -2.529 1.00 0.00 C ATOM 370 CD1 LEU A 24 -7.111 -11.540 -1.542 1.00 0.00 C ATOM 371 CD2 LEU A 24 -5.117 -10.019 -2.003 1.00 0.00 C ATOM 0 H LEU A 24 -6.236 -12.495 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.362 -11.969 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.831 -12.171 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.638 -10.585 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.139 -9.696 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.212 -11.065 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.095 -11.834 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.479 -12.424 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.260 -9.567 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.408 -10.843 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.728 -9.271 -2.694 1.00 0.00 H new ATOM 383 N LEU A 25 -7.394 -9.353 -6.017 1.00 0.00 N ATOM 384 CA LEU A 25 -7.792 -8.066 -6.608 1.00 0.00 C ATOM 385 C LEU A 25 -8.784 -8.374 -7.748 1.00 0.00 C ATOM 386 O LEU A 25 -9.899 -7.838 -7.792 1.00 0.00 O ATOM 387 CB LEU A 25 -6.528 -7.312 -7.128 1.00 0.00 C ATOM 388 CG LEU A 25 -5.247 -7.392 -6.217 1.00 0.00 C ATOM 389 CD1 LEU A 25 -4.027 -6.733 -6.900 1.00 0.00 C ATOM 390 CD2 LEU A 25 -5.484 -6.805 -4.816 1.00 0.00 C ATOM 0 H LEU A 25 -6.464 -9.659 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.271 -7.418 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.274 -7.707 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.787 -6.262 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.027 -8.451 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.160 -6.806 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.816 -7.244 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.244 -5.684 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.569 -6.885 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.768 -5.756 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.283 -7.357 -4.321 1.00 0.00 H new ATOM 402 N GLY A 26 -8.363 -9.286 -8.651 1.00 0.00 N ATOM 403 CA GLY A 26 -9.125 -9.634 -9.855 1.00 0.00 C ATOM 404 C GLY A 26 -8.481 -9.086 -11.125 1.00 0.00 C ATOM 405 O GLY A 26 -9.163 -8.864 -12.130 1.00 0.00 O ATOM 0 H GLY A 26 -7.485 -9.797 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.207 -10.718 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.139 -9.243 -9.766 1.00 0.00 H new ATOM 409 N VAL A 27 -7.151 -8.874 -11.073 1.00 0.00 N ATOM 410 CA VAL A 27 -6.346 -8.322 -12.192 1.00 0.00 C ATOM 411 C VAL A 27 -5.095 -9.193 -12.424 1.00 0.00 C ATOM 412 O VAL A 27 -4.863 -10.152 -11.689 1.00 0.00 O ATOM 413 CB VAL A 27 -5.921 -6.823 -11.916 1.00 0.00 C ATOM 414 CG1 VAL A 27 -7.149 -5.878 -11.919 1.00 0.00 C ATOM 415 CG2 VAL A 27 -5.135 -6.694 -10.591 1.00 0.00 C ATOM 0 H VAL A 27 -6.594 -9.082 -10.244 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.966 -8.334 -13.088 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.261 -6.520 -12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.822 -4.856 -11.726 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.642 -5.925 -12.890 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.848 -6.188 -11.142 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.858 -5.652 -10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.758 -7.034 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.234 -7.305 -10.642 1.00 0.00 H new ATOM 425 N ASP A 28 -4.306 -8.865 -13.457 1.00 0.00 N ATOM 426 CA ASP A 28 -3.018 -9.541 -13.751 1.00 0.00 C ATOM 427 C ASP A 28 -1.871 -8.526 -13.584 1.00 0.00 C ATOM 428 O ASP A 28 -2.117 -7.318 -13.672 1.00 0.00 O ATOM 429 CB ASP A 28 -3.032 -10.133 -15.194 1.00 0.00 C ATOM 430 CG ASP A 28 -2.990 -9.068 -16.308 1.00 0.00 C ATOM 431 OD1 ASP A 28 -4.053 -8.517 -16.656 1.00 0.00 O ATOM 432 OD2 ASP A 28 -1.897 -8.780 -16.847 1.00 0.00 O ATOM 0 H ASP A 28 -4.536 -8.123 -14.118 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.869 -10.367 -13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.178 -10.800 -15.311 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.929 -10.739 -15.318 1.00 0.00 H new ATOM 437 N PRO A 29 -0.606 -8.975 -13.315 1.00 0.00 N ATOM 438 CA PRO A 29 0.543 -8.056 -13.266 1.00 0.00 C ATOM 439 C PRO A 29 0.939 -7.607 -14.689 1.00 0.00 C ATOM 440 O PRO A 29 1.378 -8.426 -15.507 1.00 0.00 O ATOM 441 CB PRO A 29 1.648 -8.894 -12.576 1.00 0.00 C ATOM 442 CG PRO A 29 1.321 -10.317 -12.933 1.00 0.00 C ATOM 443 CD PRO A 29 -0.196 -10.383 -13.033 1.00 0.00 C ATOM 0 HA PRO A 29 0.343 -7.130 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.639 -8.613 -12.932 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.643 -8.745 -11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.787 -10.600 -13.877 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.693 -11.006 -12.174 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.514 -11.057 -13.828 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.641 -10.750 -12.108 1.00 0.00 H new ATOM 451 N VAL A 30 0.737 -6.310 -14.984 1.00 0.00 N ATOM 452 CA VAL A 30 1.094 -5.719 -16.291 1.00 0.00 C ATOM 453 C VAL A 30 2.623 -5.778 -16.502 1.00 0.00 C ATOM 454 O VAL A 30 3.099 -6.060 -17.608 1.00 0.00 O ATOM 455 CB VAL A 30 0.539 -4.250 -16.428 1.00 0.00 C ATOM 456 CG1 VAL A 30 1.043 -3.327 -15.292 1.00 0.00 C ATOM 457 CG2 VAL A 30 0.829 -3.642 -17.824 1.00 0.00 C ATOM 0 H VAL A 30 0.325 -5.645 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 30 0.622 -6.307 -17.078 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.544 -4.321 -16.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.635 -2.326 -15.429 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.718 -3.723 -14.330 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.132 -3.281 -15.316 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.428 -2.630 -17.870 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.906 -3.614 -17.992 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.358 -4.255 -18.593 1.00 0.00 H new ATOM 467 N GLU A 31 3.374 -5.562 -15.404 1.00 0.00 N ATOM 468 CA GLU A 31 4.827 -5.771 -15.348 1.00 0.00 C ATOM 469 C GLU A 31 5.092 -6.962 -14.423 1.00 0.00 C ATOM 470 O GLU A 31 4.505 -7.041 -13.336 1.00 0.00 O ATOM 471 CB GLU A 31 5.545 -4.502 -14.817 1.00 0.00 C ATOM 472 CG GLU A 31 5.218 -3.210 -15.581 1.00 0.00 C ATOM 473 CD GLU A 31 5.685 -3.213 -17.042 1.00 0.00 C ATOM 474 OE1 GLU A 31 6.853 -2.859 -17.298 1.00 0.00 O ATOM 475 OE2 GLU A 31 4.889 -3.555 -17.942 1.00 0.00 O ATOM 0 H GLU A 31 2.980 -5.234 -14.522 1.00 0.00 H new ATOM 0 HA GLU A 31 5.215 -5.971 -16.347 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.281 -4.364 -13.768 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.622 -4.668 -14.856 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.140 -3.048 -15.555 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.679 -2.368 -15.065 1.00 0.00 H new ATOM 482 N SER A 32 5.966 -7.882 -14.843 1.00 0.00 N ATOM 483 CA SER A 32 6.238 -9.117 -14.096 1.00 0.00 C ATOM 484 C SER A 32 7.726 -9.497 -14.196 1.00 0.00 C ATOM 485 O SER A 32 8.317 -9.480 -15.283 1.00 0.00 O ATOM 486 CB SER A 32 5.324 -10.254 -14.613 1.00 0.00 C ATOM 487 OG SER A 32 5.421 -10.405 -16.024 1.00 0.00 O ATOM 0 H SER A 32 6.503 -7.794 -15.706 1.00 0.00 H new ATOM 0 HA SER A 32 6.016 -8.954 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.597 -11.191 -14.127 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.290 -10.043 -14.340 1.00 0.00 H new ATOM 0 HG SER A 32 4.833 -11.132 -16.316 1.00 0.00 H new ATOM 493 N SER A 33 8.306 -9.811 -13.037 1.00 0.00 N ATOM 494 CA SER A 33 9.697 -10.253 -12.877 1.00 0.00 C ATOM 495 C SER A 33 9.741 -11.323 -11.755 1.00 0.00 C ATOM 496 O SER A 33 8.855 -11.328 -10.892 1.00 0.00 O ATOM 497 CB SER A 33 10.597 -9.036 -12.533 1.00 0.00 C ATOM 498 OG SER A 33 10.587 -8.072 -13.584 1.00 0.00 O ATOM 0 H SER A 33 7.804 -9.764 -12.150 1.00 0.00 H new ATOM 0 HA SER A 33 10.072 -10.690 -13.802 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.250 -8.574 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.618 -9.374 -12.356 1.00 0.00 H new ATOM 0 HG SER A 33 11.173 -7.323 -13.347 1.00 0.00 H new ATOM 504 N PRO A 34 10.766 -12.243 -11.731 1.00 0.00 N ATOM 505 CA PRO A 34 10.834 -13.355 -10.736 1.00 0.00 C ATOM 506 C PRO A 34 10.968 -12.883 -9.268 1.00 0.00 C ATOM 507 O PRO A 34 10.843 -13.696 -8.350 1.00 0.00 O ATOM 508 CB PRO A 34 12.075 -14.171 -11.197 1.00 0.00 C ATOM 509 CG PRO A 34 12.912 -13.182 -11.948 1.00 0.00 C ATOM 510 CD PRO A 34 11.921 -12.301 -12.672 1.00 0.00 C ATOM 0 HA PRO A 34 9.910 -13.933 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.616 -14.585 -10.347 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.786 -15.010 -11.831 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.537 -12.599 -11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.581 -13.682 -12.648 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.331 -11.310 -12.868 1.00 0.00 H new ATOM 0 HD3 PRO A 34 11.635 -12.724 -13.635 1.00 0.00 H new ATOM 518 N THR A 35 11.221 -11.571 -9.044 1.00 0.00 N ATOM 519 CA THR A 35 11.390 -11.018 -7.686 1.00 0.00 C ATOM 520 C THR A 35 10.456 -9.806 -7.403 1.00 0.00 C ATOM 521 O THR A 35 10.459 -9.270 -6.281 1.00 0.00 O ATOM 522 CB THR A 35 12.889 -10.643 -7.425 1.00 0.00 C ATOM 523 OG1 THR A 35 13.142 -10.552 -6.013 1.00 0.00 O ATOM 524 CG2 THR A 35 13.295 -9.319 -8.101 1.00 0.00 C ATOM 0 H THR A 35 11.312 -10.880 -9.788 1.00 0.00 H new ATOM 0 HA THR A 35 11.095 -11.803 -6.989 1.00 0.00 H new ATOM 0 HB THR A 35 13.491 -11.438 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.313 -10.316 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.343 -9.108 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.154 -9.402 -9.179 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.676 -8.509 -7.716 1.00 0.00 H new ATOM 532 N PHE A 36 9.636 -9.397 -8.396 1.00 0.00 N ATOM 533 CA PHE A 36 8.762 -8.204 -8.267 1.00 0.00 C ATOM 534 C PHE A 36 7.590 -8.301 -9.258 1.00 0.00 C ATOM 535 O PHE A 36 7.764 -8.756 -10.386 1.00 0.00 O ATOM 536 CB PHE A 36 9.572 -6.887 -8.509 1.00 0.00 C ATOM 537 CG PHE A 36 8.788 -5.578 -8.252 1.00 0.00 C ATOM 538 CD1 PHE A 36 8.009 -4.983 -9.248 1.00 0.00 C ATOM 539 CD2 PHE A 36 8.835 -4.950 -7.011 1.00 0.00 C ATOM 540 CE1 PHE A 36 7.309 -3.815 -9.013 1.00 0.00 C ATOM 541 CE2 PHE A 36 8.130 -3.780 -6.776 1.00 0.00 C ATOM 542 CZ PHE A 36 7.369 -3.213 -7.775 1.00 0.00 C ATOM 0 H PHE A 36 9.559 -9.873 -9.295 1.00 0.00 H new ATOM 0 HA PHE A 36 8.367 -8.175 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.452 -6.897 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.929 -6.882 -9.539 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.953 -5.446 -10.222 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.430 -5.381 -6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.715 -3.374 -9.800 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.177 -3.310 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.822 -2.301 -7.588 1.00 0.00 H new ATOM 552 N SER A 37 6.402 -7.850 -8.826 1.00 0.00 N ATOM 553 CA SER A 37 5.205 -7.773 -9.685 1.00 0.00 C ATOM 554 C SER A 37 4.552 -6.400 -9.553 1.00 0.00 C ATOM 555 O SER A 37 4.577 -5.792 -8.480 1.00 0.00 O ATOM 556 CB SER A 37 4.212 -8.886 -9.313 1.00 0.00 C ATOM 557 OG SER A 37 4.807 -10.149 -9.516 1.00 0.00 O ATOM 0 H SER A 37 6.242 -7.528 -7.872 1.00 0.00 H new ATOM 0 HA SER A 37 5.504 -7.914 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.908 -8.781 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.310 -8.798 -9.919 1.00 0.00 H new ATOM 0 HG SER A 37 4.412 -10.800 -8.899 1.00 0.00 H new ATOM 563 N LEU A 38 3.964 -5.921 -10.656 1.00 0.00 N ATOM 564 CA LEU A 38 3.306 -4.619 -10.715 1.00 0.00 C ATOM 565 C LEU A 38 1.946 -4.794 -11.411 1.00 0.00 C ATOM 566 O LEU A 38 1.880 -5.202 -12.569 1.00 0.00 O ATOM 567 CB LEU A 38 4.246 -3.592 -11.411 1.00 0.00 C ATOM 568 CG LEU A 38 3.766 -2.103 -11.517 1.00 0.00 C ATOM 569 CD1 LEU A 38 2.981 -1.843 -12.808 1.00 0.00 C ATOM 570 CD2 LEU A 38 2.938 -1.681 -10.292 1.00 0.00 C ATOM 0 H LEU A 38 3.934 -6.434 -11.537 1.00 0.00 H new ATOM 0 HA LEU A 38 3.109 -4.219 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.198 -3.598 -10.880 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.442 -3.951 -12.421 1.00 0.00 H new ATOM 0 HG LEU A 38 4.667 -1.491 -11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.668 -0.799 -12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.614 -2.058 -13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.102 -2.486 -12.835 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.625 -0.643 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.058 -2.319 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.544 -1.782 -9.391 1.00 0.00 H new ATOM 582 N PHE A 39 0.884 -4.448 -10.678 1.00 0.00 N ATOM 583 CA PHE A 39 -0.505 -4.384 -11.157 1.00 0.00 C ATOM 584 C PHE A 39 -0.884 -2.888 -11.250 1.00 0.00 C ATOM 585 O PHE A 39 -0.481 -2.099 -10.396 1.00 0.00 O ATOM 586 CB PHE A 39 -1.466 -5.096 -10.144 1.00 0.00 C ATOM 587 CG PHE A 39 -1.039 -6.503 -9.699 1.00 0.00 C ATOM 588 CD1 PHE A 39 0.000 -6.675 -8.788 1.00 0.00 C ATOM 589 CD2 PHE A 39 -1.681 -7.646 -10.177 1.00 0.00 C ATOM 590 CE1 PHE A 39 0.387 -7.933 -8.382 1.00 0.00 C ATOM 591 CE2 PHE A 39 -1.295 -8.906 -9.764 1.00 0.00 C ATOM 592 CZ PHE A 39 -0.259 -9.050 -8.868 1.00 0.00 C ATOM 0 H PHE A 39 0.969 -4.194 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.596 -4.881 -12.123 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.561 -4.468 -9.258 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.456 -5.162 -10.595 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.510 -5.809 -8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.493 -7.544 -10.882 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.200 -8.045 -7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.806 -9.779 -10.144 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.046 -10.035 -8.547 1.00 0.00 H new ATOM 602 N VAL A 40 -1.628 -2.493 -12.297 1.00 0.00 N ATOM 603 CA VAL A 40 -2.260 -1.160 -12.385 1.00 0.00 C ATOM 604 C VAL A 40 -3.763 -1.361 -12.606 1.00 0.00 C ATOM 605 O VAL A 40 -4.165 -2.084 -13.528 1.00 0.00 O ATOM 606 CB VAL A 40 -1.672 -0.270 -13.552 1.00 0.00 C ATOM 607 CG1 VAL A 40 -2.246 1.174 -13.507 1.00 0.00 C ATOM 608 CG2 VAL A 40 -0.132 -0.243 -13.508 1.00 0.00 C ATOM 0 H VAL A 40 -1.810 -3.086 -13.107 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.055 -0.629 -11.455 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.978 -0.724 -14.494 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.822 1.760 -14.322 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.330 1.138 -13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.989 1.638 -12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.244 0.376 -14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.198 0.171 -12.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.253 -1.257 -13.616 1.00 0.00 H new ATOM 618 N LEU A 41 -4.580 -0.731 -11.754 1.00 0.00 N ATOM 619 CA LEU A 41 -6.039 -0.948 -11.725 1.00 0.00 C ATOM 620 C LEU A 41 -6.748 0.190 -12.477 1.00 0.00 C ATOM 621 O LEU A 41 -6.286 1.340 -12.458 1.00 0.00 O ATOM 622 CB LEU A 41 -6.568 -1.049 -10.256 1.00 0.00 C ATOM 623 CG LEU A 41 -6.286 -2.383 -9.468 1.00 0.00 C ATOM 624 CD1 LEU A 41 -4.777 -2.675 -9.299 1.00 0.00 C ATOM 625 CD2 LEU A 41 -7.004 -2.372 -8.091 1.00 0.00 C ATOM 0 H LEU A 41 -4.253 -0.055 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.257 -1.894 -12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.137 -0.225 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.647 -0.893 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.694 -3.194 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.646 -3.607 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.312 -2.765 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.308 -1.859 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.795 -3.303 -7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.643 -1.531 -7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.079 -2.274 -8.242 1.00 0.00 H new ATOM 637 N ALA A 42 -7.898 -0.142 -13.096 1.00 0.00 N ATOM 638 CA ALA A 42 -8.743 0.817 -13.847 1.00 0.00 C ATOM 639 C ALA A 42 -9.443 1.831 -12.907 1.00 0.00 C ATOM 640 O ALA A 42 -10.108 2.763 -13.370 1.00 0.00 O ATOM 641 CB ALA A 42 -9.783 0.044 -14.677 1.00 0.00 C ATOM 0 H ALA A 42 -8.273 -1.091 -13.091 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.097 1.390 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.404 0.749 -15.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.272 -0.616 -15.378 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.411 -0.550 -14.012 1.00 0.00 H new ATOM 647 N ASN A 43 -9.288 1.620 -11.587 1.00 0.00 N ATOM 648 CA ASN A 43 -9.819 2.511 -10.539 1.00 0.00 C ATOM 649 C ASN A 43 -9.102 3.877 -10.518 1.00 0.00 C ATOM 650 O ASN A 43 -9.655 4.860 -10.012 1.00 0.00 O ATOM 651 CB ASN A 43 -9.676 1.845 -9.140 1.00 0.00 C ATOM 652 CG ASN A 43 -10.410 0.509 -8.984 1.00 0.00 C ATOM 653 OD1 ASN A 43 -10.481 -0.299 -9.913 1.00 0.00 O ATOM 654 ND2 ASN A 43 -10.970 0.273 -7.804 1.00 0.00 N ATOM 0 H ASN A 43 -8.784 0.816 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.871 2.680 -10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.617 1.687 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.047 2.537 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.477 -0.598 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.893 0.962 -7.056 1.00 0.00 H new ATOM 661 N GLY A 44 -7.874 3.930 -11.074 1.00 0.00 N ATOM 662 CA GLY A 44 -7.031 5.132 -10.999 1.00 0.00 C ATOM 663 C GLY A 44 -5.915 4.985 -9.972 1.00 0.00 C ATOM 664 O GLY A 44 -5.327 5.981 -9.531 1.00 0.00 O ATOM 0 H GLY A 44 -7.448 3.153 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.598 5.332 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.649 5.992 -10.742 1.00 0.00 H new ATOM 668 N MET A 45 -5.630 3.730 -9.576 1.00 0.00 N ATOM 669 CA MET A 45 -4.605 3.406 -8.565 1.00 0.00 C ATOM 670 C MET A 45 -3.583 2.416 -9.156 1.00 0.00 C ATOM 671 O MET A 45 -3.752 1.924 -10.284 1.00 0.00 O ATOM 672 CB MET A 45 -5.291 2.832 -7.289 1.00 0.00 C ATOM 673 CG MET A 45 -5.877 1.411 -7.435 1.00 0.00 C ATOM 674 SD MET A 45 -4.642 0.101 -7.239 1.00 0.00 S ATOM 675 CE MET A 45 -4.134 0.321 -5.529 1.00 0.00 C ATOM 0 H MET A 45 -6.106 2.909 -9.950 1.00 0.00 H new ATOM 0 HA MET A 45 -4.067 4.310 -8.280 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.563 2.825 -6.478 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.092 3.509 -6.992 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.664 1.272 -6.694 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.343 1.317 -8.416 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.684 -0.601 -5.162 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.406 1.130 -5.467 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.004 0.568 -4.920 1.00 0.00 H new ATOM 685 N LYS A 46 -2.539 2.117 -8.374 1.00 0.00 N ATOM 686 CA LYS A 46 -1.423 1.262 -8.797 1.00 0.00 C ATOM 687 C LYS A 46 -0.927 0.462 -7.574 1.00 0.00 C ATOM 688 O LYS A 46 -0.873 0.999 -6.463 1.00 0.00 O ATOM 689 CB LYS A 46 -0.323 2.172 -9.412 1.00 0.00 C ATOM 690 CG LYS A 46 0.796 1.452 -10.176 1.00 0.00 C ATOM 691 CD LYS A 46 1.698 2.443 -10.960 1.00 0.00 C ATOM 692 CE LYS A 46 2.717 1.729 -11.855 1.00 0.00 C ATOM 693 NZ LYS A 46 3.426 2.660 -12.766 1.00 0.00 N ATOM 0 H LYS A 46 -2.444 2.465 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.722 0.541 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.801 2.879 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.129 2.755 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.407 0.884 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.358 0.735 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.072 3.091 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.226 3.085 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.446 1.213 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.207 0.967 -12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.103 2.127 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.736 3.134 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.937 3.372 -12.206 1.00 0.00 H new ATOM 707 N LEU A 47 -0.579 -0.817 -7.785 1.00 0.00 N ATOM 708 CA LEU A 47 -0.312 -1.776 -6.689 1.00 0.00 C ATOM 709 C LEU A 47 0.923 -2.644 -7.025 1.00 0.00 C ATOM 710 O LEU A 47 0.935 -3.337 -8.031 1.00 0.00 O ATOM 711 CB LEU A 47 -1.600 -2.641 -6.457 1.00 0.00 C ATOM 712 CG LEU A 47 -1.841 -3.194 -5.006 1.00 0.00 C ATOM 713 CD1 LEU A 47 -3.306 -3.640 -4.835 1.00 0.00 C ATOM 714 CD2 LEU A 47 -0.871 -4.345 -4.646 1.00 0.00 C ATOM 0 H LEU A 47 -0.474 -1.220 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.081 -1.246 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.465 -2.041 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.565 -3.489 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.637 -2.379 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.455 -4.020 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.967 -2.790 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.534 -4.426 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.078 -4.692 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.007 -5.168 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.157 -3.986 -4.703 1.00 0.00 H new ATOM 726 N GLY A 48 1.954 -2.581 -6.161 1.00 0.00 N ATOM 727 CA GLY A 48 3.186 -3.365 -6.306 1.00 0.00 C ATOM 728 C GLY A 48 3.231 -4.540 -5.344 1.00 0.00 C ATOM 729 O GLY A 48 2.475 -4.596 -4.367 1.00 0.00 O ATOM 0 H GLY A 48 1.951 -1.979 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.264 -3.732 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.048 -2.721 -6.132 1.00 0.00 H new ATOM 733 N LEU A 49 4.177 -5.452 -5.607 1.00 0.00 N ATOM 734 CA LEU A 49 4.592 -6.516 -4.684 1.00 0.00 C ATOM 735 C LEU A 49 6.123 -6.539 -4.703 1.00 0.00 C ATOM 736 O LEU A 49 6.723 -6.985 -5.690 1.00 0.00 O ATOM 737 CB LEU A 49 4.012 -7.897 -5.112 1.00 0.00 C ATOM 738 CG LEU A 49 2.464 -8.050 -4.994 1.00 0.00 C ATOM 739 CD1 LEU A 49 1.993 -9.398 -5.558 1.00 0.00 C ATOM 740 CD2 LEU A 49 1.992 -7.862 -3.537 1.00 0.00 C ATOM 0 H LEU A 49 4.687 -5.470 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 49 4.214 -6.322 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.299 -8.085 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.482 -8.671 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 49 2.009 -7.262 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.910 -9.474 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.269 -9.469 -6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.465 -10.209 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.909 -7.975 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.464 -8.612 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.269 -6.867 -3.190 1.00 0.00 H new ATOM 752 N TRP A 50 6.748 -6.014 -3.632 1.00 0.00 N ATOM 753 CA TRP A 50 8.213 -5.946 -3.507 1.00 0.00 C ATOM 754 C TRP A 50 8.655 -6.941 -2.430 1.00 0.00 C ATOM 755 O TRP A 50 8.248 -6.818 -1.271 1.00 0.00 O ATOM 756 CB TRP A 50 8.665 -4.495 -3.152 1.00 0.00 C ATOM 757 CG TRP A 50 10.115 -4.175 -3.471 1.00 0.00 C ATOM 758 CD1 TRP A 50 11.209 -4.966 -3.267 1.00 0.00 C ATOM 759 CD2 TRP A 50 10.616 -2.958 -4.049 1.00 0.00 C ATOM 760 NE1 TRP A 50 12.341 -4.329 -3.693 1.00 0.00 N ATOM 761 CE2 TRP A 50 12.008 -3.090 -4.157 1.00 0.00 C ATOM 762 CE3 TRP A 50 10.018 -1.773 -4.483 1.00 0.00 C ATOM 763 CZ2 TRP A 50 12.811 -2.087 -4.678 1.00 0.00 C ATOM 764 CZ3 TRP A 50 10.817 -0.774 -5.004 1.00 0.00 C ATOM 765 CH2 TRP A 50 12.204 -0.934 -5.089 1.00 0.00 C ATOM 0 H TRP A 50 6.250 -5.626 -2.831 1.00 0.00 H new ATOM 0 HA TRP A 50 8.681 -6.208 -4.456 1.00 0.00 H new ATOM 0 HB2 TRP A 50 8.028 -3.791 -3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 50 8.498 -4.329 -2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 50 11.184 -5.954 -2.831 1.00 0.00 H new ATOM 0 HE1 TRP A 50 13.284 -4.718 -3.668 1.00 0.00 H new ATOM 0 HE3 TRP A 50 8.949 -1.640 -4.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.881 -2.213 -4.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 10.365 0.143 -5.351 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.807 -0.131 -5.487 1.00 0.00 H new ATOM 776 N SER A 51 9.484 -7.920 -2.820 1.00 0.00 N ATOM 777 CA SER A 51 9.963 -8.949 -1.899 1.00 0.00 C ATOM 778 C SER A 51 11.145 -8.432 -1.052 1.00 0.00 C ATOM 779 O SER A 51 12.013 -7.709 -1.559 1.00 0.00 O ATOM 780 CB SER A 51 10.332 -10.228 -2.669 1.00 0.00 C ATOM 781 OG SER A 51 11.302 -9.974 -3.659 1.00 0.00 O ATOM 0 H SER A 51 9.835 -8.017 -3.773 1.00 0.00 H new ATOM 0 HA SER A 51 9.157 -9.195 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.709 -10.977 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.438 -10.645 -3.133 1.00 0.00 H new ATOM 0 HG SER A 51 10.862 -9.655 -4.474 1.00 0.00 H new ATOM 787 N ARG A 52 11.169 -8.809 0.229 1.00 0.00 N ATOM 788 CA ARG A 52 12.107 -8.251 1.223 1.00 0.00 C ATOM 789 C ARG A 52 13.575 -8.682 0.992 1.00 0.00 C ATOM 790 O ARG A 52 14.497 -8.024 1.483 1.00 0.00 O ATOM 791 CB ARG A 52 11.623 -8.590 2.660 1.00 0.00 C ATOM 792 CG ARG A 52 11.343 -10.074 2.944 1.00 0.00 C ATOM 793 CD ARG A 52 10.774 -10.304 4.353 1.00 0.00 C ATOM 794 NE ARG A 52 10.532 -11.727 4.607 1.00 0.00 N ATOM 795 CZ ARG A 52 10.389 -12.303 5.809 1.00 0.00 C ATOM 796 NH1 ARG A 52 10.498 -11.605 6.937 1.00 0.00 N ATOM 797 NH2 ARG A 52 10.150 -13.603 5.869 1.00 0.00 N ATOM 0 H ARG A 52 10.538 -9.512 0.613 1.00 0.00 H new ATOM 0 HA ARG A 52 12.105 -7.168 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.375 -8.241 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.712 -8.025 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.640 -10.456 2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.266 -10.643 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.469 -9.914 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.843 -9.749 4.466 1.00 0.00 H new ATOM 0 HE ARG A 52 10.466 -12.337 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.695 -10.605 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.384 -12.070 7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.078 -14.148 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.038 -14.060 6.774 1.00 0.00 H new ATOM 811 N HIS A 53 13.792 -9.764 0.218 1.00 0.00 N ATOM 812 CA HIS A 53 15.159 -10.241 -0.114 1.00 0.00 C ATOM 813 C HIS A 53 15.805 -9.399 -1.242 1.00 0.00 C ATOM 814 O HIS A 53 16.996 -9.565 -1.532 1.00 0.00 O ATOM 815 CB HIS A 53 15.154 -11.749 -0.492 1.00 0.00 C ATOM 816 CG HIS A 53 14.513 -12.075 -1.821 1.00 0.00 C ATOM 817 ND1 HIS A 53 15.245 -12.256 -2.974 1.00 0.00 N ATOM 818 CD2 HIS A 53 13.219 -12.276 -2.169 1.00 0.00 C ATOM 819 CE1 HIS A 53 14.436 -12.547 -3.970 1.00 0.00 C ATOM 820 NE2 HIS A 53 13.197 -12.565 -3.512 1.00 0.00 N ATOM 0 H HIS A 53 13.044 -10.325 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 53 15.766 -10.115 0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 53 16.183 -12.108 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.634 -12.302 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.363 -12.220 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.735 -12.739 -4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.362 -12.761 -4.064 1.00 0.00 H new ATOM 829 N THR A 54 15.020 -8.504 -1.878 1.00 0.00 N ATOM 830 CA THR A 54 15.512 -7.640 -2.974 1.00 0.00 C ATOM 831 C THR A 54 15.188 -6.155 -2.701 1.00 0.00 C ATOM 832 O THR A 54 15.410 -5.294 -3.570 1.00 0.00 O ATOM 833 CB THR A 54 14.907 -8.095 -4.354 1.00 0.00 C ATOM 834 OG1 THR A 54 15.626 -7.492 -5.442 1.00 0.00 O ATOM 835 CG2 THR A 54 13.411 -7.748 -4.491 1.00 0.00 C ATOM 0 H THR A 54 14.036 -8.360 -1.650 1.00 0.00 H new ATOM 0 HA THR A 54 16.596 -7.744 -3.022 1.00 0.00 H new ATOM 0 HB THR A 54 15.006 -9.180 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.802 -6.550 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.047 -8.085 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.848 -8.244 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.279 -6.669 -4.408 1.00 0.00 H new ATOM 843 N VAL A 55 14.679 -5.850 -1.491 1.00 0.00 N ATOM 844 CA VAL A 55 14.247 -4.487 -1.141 1.00 0.00 C ATOM 845 C VAL A 55 15.460 -3.580 -0.865 1.00 0.00 C ATOM 846 O VAL A 55 16.527 -4.060 -0.465 1.00 0.00 O ATOM 847 CB VAL A 55 13.247 -4.478 0.076 1.00 0.00 C ATOM 848 CG1 VAL A 55 13.949 -4.809 1.417 1.00 0.00 C ATOM 849 CG2 VAL A 55 12.467 -3.146 0.141 1.00 0.00 C ATOM 0 H VAL A 55 14.558 -6.531 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 55 13.709 -4.088 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 55 12.523 -5.276 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 55 13.218 -4.790 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.399 -5.800 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 55 14.726 -4.070 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.784 -3.166 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.168 -2.319 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.899 -3.012 -0.779 1.00 0.00 H new ATOM 859 N GLU A 56 15.297 -2.277 -1.143 1.00 0.00 N ATOM 860 CA GLU A 56 16.288 -1.242 -0.817 1.00 0.00 C ATOM 861 C GLU A 56 15.596 -0.127 -0.003 1.00 0.00 C ATOM 862 O GLU A 56 14.696 0.525 -0.530 1.00 0.00 O ATOM 863 CB GLU A 56 16.963 -0.713 -2.115 1.00 0.00 C ATOM 864 CG GLU A 56 18.002 -1.703 -2.698 1.00 0.00 C ATOM 865 CD GLU A 56 18.775 -1.193 -3.922 1.00 0.00 C ATOM 866 OE1 GLU A 56 19.032 0.026 -4.016 1.00 0.00 O ATOM 867 OE2 GLU A 56 19.147 -2.013 -4.791 1.00 0.00 O ATOM 0 H GLU A 56 14.465 -1.910 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 56 17.087 -1.657 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.196 -0.516 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.453 0.237 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.718 -1.956 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.488 -2.625 -2.971 1.00 0.00 H new ATOM 874 N PRO A 57 15.979 0.107 1.308 1.00 0.00 N ATOM 875 CA PRO A 57 17.111 -0.577 1.993 1.00 0.00 C ATOM 876 C PRO A 57 16.752 -2.019 2.429 1.00 0.00 C ATOM 877 O PRO A 57 15.615 -2.282 2.851 1.00 0.00 O ATOM 878 CB PRO A 57 17.381 0.346 3.202 1.00 0.00 C ATOM 879 CG PRO A 57 16.028 0.889 3.560 1.00 0.00 C ATOM 880 CD PRO A 57 15.292 1.052 2.237 1.00 0.00 C ATOM 0 HA PRO A 57 17.981 -0.711 1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.822 -0.205 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.076 1.146 2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.495 0.209 4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.113 1.842 4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.234 0.810 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.350 2.078 1.874 1.00 0.00 H new ATOM 888 N LYS A 58 17.731 -2.938 2.281 1.00 0.00 N ATOM 889 CA LYS A 58 17.553 -4.376 2.557 1.00 0.00 C ATOM 890 C LYS A 58 17.111 -4.590 4.024 1.00 0.00 C ATOM 891 O LYS A 58 17.792 -4.163 4.963 1.00 0.00 O ATOM 892 CB LYS A 58 18.865 -5.177 2.233 1.00 0.00 C ATOM 893 CG LYS A 58 18.670 -6.611 1.650 1.00 0.00 C ATOM 894 CD LYS A 58 17.903 -7.599 2.565 1.00 0.00 C ATOM 895 CE LYS A 58 18.603 -7.857 3.913 1.00 0.00 C ATOM 896 NZ LYS A 58 19.972 -8.417 3.746 1.00 0.00 N ATOM 0 H LYS A 58 18.671 -2.699 1.965 1.00 0.00 H new ATOM 0 HA LYS A 58 16.767 -4.759 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 58 19.455 -4.596 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.453 -5.256 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.137 -6.531 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.651 -7.032 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.903 -7.207 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.780 -8.547 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.661 -6.924 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.001 -8.547 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.367 -8.652 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.927 -9.277 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.580 -7.714 3.279 1.00 0.00 H new ATOM 910 N ALA A 59 15.974 -5.267 4.178 1.00 0.00 N ATOM 911 CA ALA A 59 15.361 -5.576 5.470 1.00 0.00 C ATOM 912 C ALA A 59 14.602 -6.904 5.345 1.00 0.00 C ATOM 913 O ALA A 59 14.446 -7.426 4.235 1.00 0.00 O ATOM 914 CB ALA A 59 14.430 -4.428 5.893 1.00 0.00 C ATOM 0 H ALA A 59 15.439 -5.625 3.387 1.00 0.00 H new ATOM 0 HA ALA A 59 16.124 -5.680 6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.976 -4.663 6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 59 15.005 -3.506 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.648 -4.300 5.145 1.00 0.00 H new ATOM 920 N SER A 60 14.132 -7.451 6.473 1.00 0.00 N ATOM 921 CA SER A 60 13.393 -8.720 6.484 1.00 0.00 C ATOM 922 C SER A 60 12.338 -8.711 7.601 1.00 0.00 C ATOM 923 O SER A 60 12.631 -9.065 8.748 1.00 0.00 O ATOM 924 CB SER A 60 14.368 -9.918 6.632 1.00 0.00 C ATOM 925 OG SER A 60 13.682 -11.158 6.549 1.00 0.00 O ATOM 0 H SER A 60 14.251 -7.032 7.395 1.00 0.00 H new ATOM 0 HA SER A 60 12.874 -8.834 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.128 -9.868 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.887 -9.851 7.588 1.00 0.00 H new ATOM 0 HG SER A 60 14.323 -11.893 6.644 1.00 0.00 H new ATOM 931 N VAL A 61 11.118 -8.255 7.258 1.00 0.00 N ATOM 932 CA VAL A 61 9.946 -8.254 8.167 1.00 0.00 C ATOM 933 C VAL A 61 8.662 -8.552 7.361 1.00 0.00 C ATOM 934 O VAL A 61 8.549 -8.153 6.208 1.00 0.00 O ATOM 935 CB VAL A 61 9.783 -6.885 8.960 1.00 0.00 C ATOM 936 CG1 VAL A 61 10.776 -6.784 10.150 1.00 0.00 C ATOM 937 CG2 VAL A 61 9.922 -5.663 8.015 1.00 0.00 C ATOM 0 H VAL A 61 10.912 -7.873 6.335 1.00 0.00 H new ATOM 0 HA VAL A 61 10.114 -9.034 8.910 1.00 0.00 H new ATOM 0 HB VAL A 61 8.775 -6.875 9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.632 -5.834 10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.596 -7.604 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.798 -6.842 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.805 -4.744 8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.906 -5.676 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.152 -5.710 7.244 1.00 0.00 H new ATOM 947 N THR A 62 7.725 -9.287 7.976 1.00 0.00 N ATOM 948 CA THR A 62 6.390 -9.576 7.406 1.00 0.00 C ATOM 949 C THR A 62 5.374 -9.654 8.566 1.00 0.00 C ATOM 950 O THR A 62 5.580 -10.426 9.516 1.00 0.00 O ATOM 951 CB THR A 62 6.371 -10.926 6.582 1.00 0.00 C ATOM 952 OG1 THR A 62 7.151 -11.923 7.270 1.00 0.00 O ATOM 953 CG2 THR A 62 6.900 -10.766 5.141 1.00 0.00 C ATOM 0 H THR A 62 7.869 -9.705 8.895 1.00 0.00 H new ATOM 0 HA THR A 62 6.129 -8.777 6.712 1.00 0.00 H new ATOM 0 HB THR A 62 5.328 -11.235 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.008 -11.841 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.860 -11.728 4.630 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.283 -10.045 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.931 -10.412 5.169 1.00 0.00 H new ATOM 961 N GLY A 63 4.304 -8.839 8.500 1.00 0.00 N ATOM 962 CA GLY A 63 3.268 -8.835 9.534 1.00 0.00 C ATOM 963 C GLY A 63 2.324 -7.653 9.390 1.00 0.00 C ATOM 964 O GLY A 63 1.160 -7.829 9.026 1.00 0.00 O ATOM 0 H GLY A 63 4.140 -8.178 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.698 -9.763 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.737 -8.806 10.517 1.00 0.00 H new ATOM 968 N GLY A 64 2.847 -6.439 9.661 1.00 0.00 N ATOM 969 CA GLY A 64 2.060 -5.200 9.583 1.00 0.00 C ATOM 970 C GLY A 64 2.930 -3.990 9.262 1.00 0.00 C ATOM 971 O GLY A 64 4.105 -3.949 9.649 1.00 0.00 O ATOM 0 H GLY A 64 3.818 -6.295 9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.291 -5.307 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.547 -5.036 10.531 1.00 0.00 H new ATOM 975 N GLY A 65 2.349 -3.000 8.564 1.00 0.00 N ATOM 976 CA GLY A 65 3.086 -1.812 8.105 1.00 0.00 C ATOM 977 C GLY A 65 2.340 -1.075 7.000 1.00 0.00 C ATOM 978 O GLY A 65 2.548 0.122 6.781 1.00 0.00 O ATOM 0 H GLY A 65 1.363 -3.000 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.249 -1.138 8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.069 -2.112 7.742 1.00 0.00 H new ATOM 982 N GLY A 66 1.456 -1.798 6.310 1.00 0.00 N ATOM 983 CA GLY A 66 0.619 -1.233 5.265 1.00 0.00 C ATOM 984 C GLY A 66 -0.525 -2.175 4.952 1.00 0.00 C ATOM 985 O GLY A 66 -0.294 -3.292 4.473 1.00 0.00 O ATOM 0 H GLY A 66 1.304 -2.795 6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.228 -0.266 5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.212 -1.057 4.368 1.00 0.00 H new ATOM 989 N GLU A 67 -1.758 -1.723 5.211 1.00 0.00 N ATOM 990 CA GLU A 67 -2.968 -2.561 5.160 1.00 0.00 C ATOM 991 C GLU A 67 -3.696 -2.264 3.837 1.00 0.00 C ATOM 992 O GLU A 67 -3.715 -1.113 3.390 1.00 0.00 O ATOM 993 CB GLU A 67 -3.899 -2.235 6.383 1.00 0.00 C ATOM 994 CG GLU A 67 -3.179 -1.850 7.707 1.00 0.00 C ATOM 995 CD GLU A 67 -2.376 -2.987 8.376 1.00 0.00 C ATOM 996 OE1 GLU A 67 -2.968 -3.748 9.184 1.00 0.00 O ATOM 997 OE2 GLU A 67 -1.145 -3.114 8.118 1.00 0.00 O ATOM 0 H GLU A 67 -1.949 -0.754 5.465 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.702 -3.617 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.561 -1.416 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.530 -3.103 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.502 -1.020 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.925 -1.489 8.415 1.00 0.00 H new ATOM 1004 N LEU A 68 -4.322 -3.277 3.223 1.00 0.00 N ATOM 1005 CA LEU A 68 -4.852 -3.165 1.856 1.00 0.00 C ATOM 1006 C LEU A 68 -6.386 -3.135 1.933 1.00 0.00 C ATOM 1007 O LEU A 68 -6.992 -4.187 2.120 1.00 0.00 O ATOM 1008 CB LEU A 68 -4.357 -4.364 0.974 1.00 0.00 C ATOM 1009 CG LEU A 68 -3.836 -4.038 -0.468 1.00 0.00 C ATOM 1010 CD1 LEU A 68 -3.889 -5.286 -1.369 1.00 0.00 C ATOM 1011 CD2 LEU A 68 -4.555 -2.833 -1.115 1.00 0.00 C ATOM 0 H LEU A 68 -4.475 -4.189 3.654 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.492 -2.248 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.557 -4.870 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.178 -5.075 0.882 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.793 -3.739 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.522 -5.033 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.265 -6.070 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.918 -5.639 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.149 -2.659 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.622 -3.043 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.402 -1.946 -0.501 1.00 0.00 H new ATOM 1023 N ALA A 69 -7.010 -1.965 1.814 1.00 0.00 N ATOM 1024 CA ALA A 69 -8.454 -1.822 2.081 1.00 0.00 C ATOM 1025 C ALA A 69 -9.292 -2.053 0.804 1.00 0.00 C ATOM 1026 O ALA A 69 -9.258 -1.251 -0.135 1.00 0.00 O ATOM 1027 CB ALA A 69 -8.730 -0.456 2.714 1.00 0.00 C ATOM 0 H ALA A 69 -6.547 -1.100 1.536 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.759 -2.592 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.798 -0.355 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.180 -0.371 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.409 0.332 2.033 1.00 0.00 H new ATOM 1033 N PHE A 70 -10.046 -3.165 0.800 1.00 0.00 N ATOM 1034 CA PHE A 70 -10.938 -3.576 -0.290 1.00 0.00 C ATOM 1035 C PHE A 70 -12.324 -2.986 0.004 1.00 0.00 C ATOM 1036 O PHE A 70 -12.966 -3.344 1.007 1.00 0.00 O ATOM 1037 CB PHE A 70 -11.024 -5.135 -0.379 1.00 0.00 C ATOM 1038 CG PHE A 70 -9.741 -5.849 -0.830 1.00 0.00 C ATOM 1039 CD1 PHE A 70 -8.582 -5.809 -0.054 1.00 0.00 C ATOM 1040 CD2 PHE A 70 -9.700 -6.579 -2.020 1.00 0.00 C ATOM 1041 CE1 PHE A 70 -7.433 -6.457 -0.452 1.00 0.00 C ATOM 1042 CE2 PHE A 70 -8.547 -7.227 -2.416 1.00 0.00 C ATOM 1043 CZ PHE A 70 -7.417 -7.163 -1.630 1.00 0.00 C ATOM 0 H PHE A 70 -10.049 -3.821 1.581 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.557 -3.214 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -11.308 -5.521 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -11.826 -5.397 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.586 -5.260 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -10.583 -6.637 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.546 -6.410 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.531 -7.784 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.516 -7.670 -1.941 1.00 0.00 H new ATOM 1053 N ARG A 71 -12.739 -2.028 -0.830 1.00 0.00 N ATOM 1054 CA ARG A 71 -13.983 -1.288 -0.629 1.00 0.00 C ATOM 1055 C ARG A 71 -15.174 -1.959 -1.310 1.00 0.00 C ATOM 1056 O ARG A 71 -15.127 -2.310 -2.489 1.00 0.00 O ATOM 1057 CB ARG A 71 -13.860 0.142 -1.183 1.00 0.00 C ATOM 1058 CG ARG A 71 -12.685 0.952 -0.622 1.00 0.00 C ATOM 1059 CD ARG A 71 -12.873 2.443 -0.872 1.00 0.00 C ATOM 1060 NE ARG A 71 -12.844 2.780 -2.311 1.00 0.00 N ATOM 1061 CZ ARG A 71 -13.832 3.388 -2.997 1.00 0.00 C ATOM 1062 NH1 ARG A 71 -14.954 3.768 -2.392 1.00 0.00 N ATOM 1063 NH2 ARG A 71 -13.685 3.608 -4.297 1.00 0.00 N ATOM 0 H ARG A 71 -12.221 -1.746 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.156 -1.269 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.761 0.089 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.785 0.678 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -12.592 0.769 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.756 0.618 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -13.824 2.763 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.089 2.997 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 71 -12.002 2.530 -2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.077 3.600 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.691 4.227 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.829 3.318 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.428 4.068 -4.824 1.00 0.00 H new ATOM 1077 N VAL A 72 -16.229 -2.130 -0.513 1.00 0.00 N ATOM 1078 CA VAL A 72 -17.502 -2.750 -0.936 1.00 0.00 C ATOM 1079 C VAL A 72 -18.687 -1.875 -0.492 1.00 0.00 C ATOM 1080 O VAL A 72 -18.553 -1.044 0.419 1.00 0.00 O ATOM 1081 CB VAL A 72 -17.697 -4.200 -0.349 1.00 0.00 C ATOM 1082 CG1 VAL A 72 -16.651 -5.203 -0.886 1.00 0.00 C ATOM 1083 CG2 VAL A 72 -17.716 -4.195 1.194 1.00 0.00 C ATOM 0 H VAL A 72 -16.231 -1.839 0.465 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.465 -2.829 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.673 -4.539 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -16.831 -6.185 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -16.732 -5.267 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -15.651 -4.865 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -17.852 -5.213 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -16.772 -3.798 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -18.537 -3.570 1.546 1.00 0.00 H new ATOM 1093 N GLU A 73 -19.833 -2.073 -1.166 1.00 0.00 N ATOM 1094 CA GLU A 73 -21.038 -1.242 -0.986 1.00 0.00 C ATOM 1095 C GLU A 73 -21.699 -1.377 0.409 1.00 0.00 C ATOM 1096 O GLU A 73 -22.221 -0.382 0.925 1.00 0.00 O ATOM 1097 CB GLU A 73 -22.071 -1.548 -2.104 1.00 0.00 C ATOM 1098 CG GLU A 73 -22.497 -3.022 -2.184 1.00 0.00 C ATOM 1099 CD GLU A 73 -23.520 -3.316 -3.288 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -24.737 -3.193 -3.035 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -23.111 -3.663 -4.420 1.00 0.00 O ATOM 0 H GLU A 73 -19.951 -2.817 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 73 -20.703 -0.207 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.957 -0.934 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.649 -1.251 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -21.612 -3.637 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.918 -3.321 -1.224 1.00 0.00 H new ATOM 1108 N ASN A 74 -21.677 -2.587 1.029 1.00 0.00 N ATOM 1109 CA ASN A 74 -22.304 -2.790 2.362 1.00 0.00 C ATOM 1110 C ASN A 74 -21.818 -4.080 3.047 1.00 0.00 C ATOM 1111 O ASN A 74 -21.023 -4.842 2.487 1.00 0.00 O ATOM 1112 CB ASN A 74 -23.859 -2.802 2.260 1.00 0.00 C ATOM 1113 CG ASN A 74 -24.428 -4.079 1.633 1.00 0.00 C ATOM 1114 OD1 ASN A 74 -24.730 -5.045 2.332 1.00 0.00 O ATOM 1115 ND2 ASN A 74 -24.591 -4.091 0.322 1.00 0.00 N ATOM 0 H ASN A 74 -21.241 -3.421 0.636 1.00 0.00 H new ATOM 0 HA ASN A 74 -21.994 -1.946 2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -24.280 -2.680 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -24.182 -1.944 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -24.977 -4.917 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -24.331 -3.275 -0.232 1.00 0.00 H new ATOM 1122 N ASP A 75 -22.336 -4.283 4.276 1.00 0.00 N ATOM 1123 CA ASP A 75 -21.863 -5.292 5.250 1.00 0.00 C ATOM 1124 C ASP A 75 -21.931 -6.722 4.703 1.00 0.00 C ATOM 1125 O ASP A 75 -21.129 -7.584 5.081 1.00 0.00 O ATOM 1126 CB ASP A 75 -22.675 -5.164 6.562 1.00 0.00 C ATOM 1127 CG ASP A 75 -24.191 -5.311 6.339 1.00 0.00 C ATOM 1128 OD1 ASP A 75 -24.840 -4.312 5.959 1.00 0.00 O ATOM 1129 OD2 ASP A 75 -24.738 -6.420 6.524 1.00 0.00 O ATOM 0 H ASP A 75 -23.119 -3.733 4.630 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.810 -5.092 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -22.340 -5.925 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -22.471 -4.195 7.018 1.00 0.00 H new ATOM 1134 N ALA A 76 -22.917 -6.964 3.827 1.00 0.00 N ATOM 1135 CA ALA A 76 -23.129 -8.272 3.207 1.00 0.00 C ATOM 1136 C ALA A 76 -21.953 -8.620 2.289 1.00 0.00 C ATOM 1137 O ALA A 76 -21.397 -9.704 2.376 1.00 0.00 O ATOM 1138 CB ALA A 76 -24.449 -8.291 2.424 1.00 0.00 C ATOM 0 H ALA A 76 -23.588 -6.255 3.531 1.00 0.00 H new ATOM 0 HA ALA A 76 -23.189 -9.024 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -24.589 -9.272 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -25.277 -8.083 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -24.420 -7.531 1.643 1.00 0.00 H new ATOM 1144 N GLN A 77 -21.559 -7.637 1.461 1.00 0.00 N ATOM 1145 CA GLN A 77 -20.434 -7.751 0.518 1.00 0.00 C ATOM 1146 C GLN A 77 -19.074 -7.952 1.223 1.00 0.00 C ATOM 1147 O GLN A 77 -18.134 -8.475 0.620 1.00 0.00 O ATOM 1148 CB GLN A 77 -20.391 -6.486 -0.373 1.00 0.00 C ATOM 1149 CG GLN A 77 -21.508 -6.372 -1.425 1.00 0.00 C ATOM 1150 CD GLN A 77 -21.351 -7.347 -2.600 1.00 0.00 C ATOM 1151 OE1 GLN A 77 -20.234 -7.735 -2.963 1.00 0.00 O ATOM 1152 NE2 GLN A 77 -22.457 -7.709 -3.237 1.00 0.00 N ATOM 0 H GLN A 77 -22.020 -6.728 1.428 1.00 0.00 H new ATOM 0 HA GLN A 77 -20.602 -8.641 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -20.434 -5.608 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -19.430 -6.458 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -22.469 -6.550 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -21.529 -5.353 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -23.364 -7.373 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -22.400 -8.323 -4.049 1.00 0.00 H new ATOM 1161 N VAL A 78 -18.993 -7.536 2.504 1.00 0.00 N ATOM 1162 CA VAL A 78 -17.827 -7.810 3.373 1.00 0.00 C ATOM 1163 C VAL A 78 -17.744 -9.323 3.676 1.00 0.00 C ATOM 1164 O VAL A 78 -16.670 -9.931 3.624 1.00 0.00 O ATOM 1165 CB VAL A 78 -17.904 -7.013 4.734 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -16.697 -7.314 5.659 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -18.034 -5.498 4.488 1.00 0.00 C ATOM 0 H VAL A 78 -19.730 -7.003 2.965 1.00 0.00 H new ATOM 0 HA VAL A 78 -16.936 -7.481 2.838 1.00 0.00 H new ATOM 0 HB VAL A 78 -18.802 -7.357 5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -16.795 -6.743 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.674 -8.379 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.773 -7.032 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -18.085 -4.977 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.168 -5.145 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -18.941 -5.299 3.918 1.00 0.00 H new ATOM 1177 N ASP A 79 -18.934 -9.911 3.948 1.00 0.00 N ATOM 1178 CA ASP A 79 -19.098 -11.334 4.298 1.00 0.00 C ATOM 1179 C ASP A 79 -18.965 -12.232 3.053 1.00 0.00 C ATOM 1180 O ASP A 79 -18.542 -13.391 3.159 1.00 0.00 O ATOM 1181 CB ASP A 79 -20.480 -11.537 4.985 1.00 0.00 C ATOM 1182 CG ASP A 79 -20.824 -13.017 5.265 1.00 0.00 C ATOM 1183 OD1 ASP A 79 -20.273 -13.598 6.223 1.00 0.00 O ATOM 1184 OD2 ASP A 79 -21.629 -13.612 4.515 1.00 0.00 O ATOM 0 H ASP A 79 -19.816 -9.399 3.929 1.00 0.00 H new ATOM 0 HA ASP A 79 -18.307 -11.623 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -20.492 -10.986 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -21.257 -11.106 4.353 1.00 0.00 H new ATOM 1189 N GLU A 80 -19.328 -11.686 1.881 1.00 0.00 N ATOM 1190 CA GLU A 80 -19.219 -12.401 0.593 1.00 0.00 C ATOM 1191 C GLU A 80 -17.741 -12.520 0.192 1.00 0.00 C ATOM 1192 O GLU A 80 -17.268 -13.591 -0.206 1.00 0.00 O ATOM 1193 CB GLU A 80 -20.071 -11.686 -0.491 1.00 0.00 C ATOM 1194 CG GLU A 80 -21.550 -11.540 -0.083 1.00 0.00 C ATOM 1195 CD GLU A 80 -22.473 -10.981 -1.176 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -22.778 -11.715 -2.134 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -22.916 -9.814 -1.071 1.00 0.00 O ATOM 0 H GLU A 80 -19.704 -10.742 1.796 1.00 0.00 H new ATOM 0 HA GLU A 80 -19.615 -13.411 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -19.652 -10.698 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -20.009 -12.246 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.925 -12.517 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.608 -10.888 0.789 1.00 0.00 H new ATOM 1204 N THR A 81 -17.019 -11.388 0.349 1.00 0.00 N ATOM 1205 CA THR A 81 -15.567 -11.321 0.129 1.00 0.00 C ATOM 1206 C THR A 81 -14.823 -12.189 1.169 1.00 0.00 C ATOM 1207 O THR A 81 -13.803 -12.805 0.846 1.00 0.00 O ATOM 1208 CB THR A 81 -15.056 -9.840 0.170 1.00 0.00 C ATOM 1209 OG1 THR A 81 -15.742 -9.063 -0.832 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.540 -9.729 -0.075 1.00 0.00 C ATOM 0 H THR A 81 -17.431 -10.499 0.632 1.00 0.00 H new ATOM 0 HA THR A 81 -15.356 -11.716 -0.865 1.00 0.00 H new ATOM 0 HB THR A 81 -15.264 -9.460 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 81 -16.611 -8.774 -0.484 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.241 -8.682 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.005 -10.288 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.299 -10.138 -1.056 1.00 0.00 H new ATOM 1218 N PHE A 82 -15.388 -12.258 2.399 1.00 0.00 N ATOM 1219 CA PHE A 82 -14.891 -13.131 3.481 1.00 0.00 C ATOM 1220 C PHE A 82 -14.858 -14.589 2.994 1.00 0.00 C ATOM 1221 O PHE A 82 -13.808 -15.208 2.917 1.00 0.00 O ATOM 1222 CB PHE A 82 -15.791 -12.978 4.749 1.00 0.00 C ATOM 1223 CG PHE A 82 -15.362 -13.781 5.986 1.00 0.00 C ATOM 1224 CD1 PHE A 82 -15.690 -15.129 6.128 1.00 0.00 C ATOM 1225 CD2 PHE A 82 -14.637 -13.180 7.010 1.00 0.00 C ATOM 1226 CE1 PHE A 82 -15.303 -15.842 7.243 1.00 0.00 C ATOM 1227 CE2 PHE A 82 -14.251 -13.895 8.126 1.00 0.00 C ATOM 1228 CZ PHE A 82 -14.584 -15.226 8.241 1.00 0.00 C ATOM 0 H PHE A 82 -16.204 -11.706 2.665 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.877 -12.836 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.824 -11.923 5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.807 -13.272 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.256 -15.623 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.372 -12.136 6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.565 -16.886 7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.687 -13.410 8.909 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.281 -15.786 9.114 1.00 0.00 H new ATOM 1238 N ALA A 83 -16.044 -15.084 2.603 1.00 0.00 N ATOM 1239 CA ALA A 83 -16.263 -16.492 2.227 1.00 0.00 C ATOM 1240 C ALA A 83 -15.446 -16.911 0.996 1.00 0.00 C ATOM 1241 O ALA A 83 -14.940 -18.037 0.937 1.00 0.00 O ATOM 1242 CB ALA A 83 -17.755 -16.735 1.981 1.00 0.00 C ATOM 0 H ALA A 83 -16.887 -14.513 2.538 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.918 -17.108 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.913 -17.777 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.314 -16.513 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.101 -16.088 1.175 1.00 0.00 H new ATOM 1248 N GLY A 84 -15.333 -15.995 0.026 1.00 0.00 N ATOM 1249 CA GLY A 84 -14.523 -16.223 -1.169 1.00 0.00 C ATOM 1250 C GLY A 84 -13.025 -16.357 -0.879 1.00 0.00 C ATOM 1251 O GLY A 84 -12.365 -17.250 -1.418 1.00 0.00 O ATOM 0 H GLY A 84 -15.796 -15.086 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.871 -17.129 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.677 -15.398 -1.865 1.00 0.00 H new ATOM 1255 N TRP A 85 -12.513 -15.496 0.019 1.00 0.00 N ATOM 1256 CA TRP A 85 -11.123 -15.575 0.520 1.00 0.00 C ATOM 1257 C TRP A 85 -10.913 -16.881 1.311 1.00 0.00 C ATOM 1258 O TRP A 85 -9.884 -17.545 1.156 1.00 0.00 O ATOM 1259 CB TRP A 85 -10.808 -14.335 1.396 1.00 0.00 C ATOM 1260 CG TRP A 85 -10.614 -13.049 0.622 1.00 0.00 C ATOM 1261 CD1 TRP A 85 -10.812 -12.842 -0.716 1.00 0.00 C ATOM 1262 CD2 TRP A 85 -10.174 -11.791 1.149 1.00 0.00 C ATOM 1263 NE1 TRP A 85 -10.527 -11.545 -1.044 1.00 0.00 N ATOM 1264 CE2 TRP A 85 -10.132 -10.879 0.080 1.00 0.00 C ATOM 1265 CE3 TRP A 85 -9.817 -11.350 2.420 1.00 0.00 C ATOM 1266 CZ2 TRP A 85 -9.739 -9.561 0.241 1.00 0.00 C ATOM 1267 CZ3 TRP A 85 -9.428 -10.038 2.581 1.00 0.00 C ATOM 1268 CH2 TRP A 85 -9.394 -9.156 1.494 1.00 0.00 C ATOM 0 H TRP A 85 -13.048 -14.725 0.419 1.00 0.00 H new ATOM 0 HA TRP A 85 -10.436 -15.582 -0.326 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -11.620 -14.195 2.110 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.906 -14.535 1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -11.146 -13.596 -1.414 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -10.598 -11.141 -1.978 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.844 -12.023 3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -9.707 -8.880 -0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.145 -9.684 3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.088 -8.133 1.653 1.00 0.00 H new ATOM 1279 N LYS A 86 -11.899 -17.227 2.143 1.00 0.00 N ATOM 1280 CA LYS A 86 -11.879 -18.438 2.991 1.00 0.00 C ATOM 1281 C LYS A 86 -11.747 -19.699 2.126 1.00 0.00 C ATOM 1282 O LYS A 86 -10.957 -20.600 2.427 1.00 0.00 O ATOM 1283 CB LYS A 86 -13.170 -18.459 3.852 1.00 0.00 C ATOM 1284 CG LYS A 86 -13.430 -19.728 4.687 1.00 0.00 C ATOM 1285 CD LYS A 86 -14.610 -19.545 5.685 1.00 0.00 C ATOM 1286 CE LYS A 86 -15.869 -18.933 5.033 1.00 0.00 C ATOM 1287 NZ LYS A 86 -17.004 -18.785 5.985 1.00 0.00 N ATOM 0 H LYS A 86 -12.748 -16.672 2.253 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.014 -18.420 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.139 -17.607 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -14.022 -18.308 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.647 -20.562 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.527 -19.989 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.866 -20.513 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.287 -18.906 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.619 -17.956 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.181 -19.561 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.653 -18.049 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.514 -19.688 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.639 -18.514 6.921 1.00 0.00 H new ATOM 1301 N ALA A 87 -12.506 -19.710 1.025 1.00 0.00 N ATOM 1302 CA ALA A 87 -12.505 -20.812 0.051 1.00 0.00 C ATOM 1303 C ALA A 87 -11.176 -20.867 -0.733 1.00 0.00 C ATOM 1304 O ALA A 87 -10.741 -21.931 -1.177 1.00 0.00 O ATOM 1305 CB ALA A 87 -13.693 -20.648 -0.908 1.00 0.00 C ATOM 0 H ALA A 87 -13.143 -18.951 0.781 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.604 -21.754 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.693 -21.464 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.624 -20.665 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.607 -19.698 -1.435 1.00 0.00 H new ATOM 1311 N SER A 88 -10.545 -19.683 -0.875 1.00 0.00 N ATOM 1312 CA SER A 88 -9.320 -19.481 -1.672 1.00 0.00 C ATOM 1313 C SER A 88 -8.030 -19.480 -0.809 1.00 0.00 C ATOM 1314 O SER A 88 -6.952 -19.075 -1.265 1.00 0.00 O ATOM 1315 CB SER A 88 -9.451 -18.141 -2.434 1.00 0.00 C ATOM 1316 OG SER A 88 -8.359 -17.916 -3.320 1.00 0.00 O ATOM 0 H SER A 88 -10.879 -18.827 -0.431 1.00 0.00 H new ATOM 0 HA SER A 88 -9.224 -20.318 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.383 -18.137 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.510 -17.322 -1.717 1.00 0.00 H new ATOM 0 HG SER A 88 -7.524 -18.192 -2.887 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.169 -19.951 0.447 1.00 0.00 N ATOM 1323 CA GLY A 89 -7.021 -20.309 1.292 1.00 0.00 C ATOM 1324 C GLY A 89 -6.371 -19.139 2.026 1.00 0.00 C ATOM 1325 O GLY A 89 -5.163 -19.168 2.312 1.00 0.00 O ATOM 0 H GLY A 89 -9.073 -20.092 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.346 -21.045 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.267 -20.792 0.670 1.00 0.00 H new ATOM 1329 N VAL A 90 -7.163 -18.110 2.336 1.00 0.00 N ATOM 1330 CA VAL A 90 -6.707 -16.957 3.128 1.00 0.00 C ATOM 1331 C VAL A 90 -6.872 -17.274 4.632 1.00 0.00 C ATOM 1332 O VAL A 90 -7.935 -17.730 5.052 1.00 0.00 O ATOM 1333 CB VAL A 90 -7.505 -15.666 2.725 1.00 0.00 C ATOM 1334 CG1 VAL A 90 -7.089 -14.440 3.560 1.00 0.00 C ATOM 1335 CG2 VAL A 90 -7.341 -15.375 1.214 1.00 0.00 C ATOM 0 H VAL A 90 -8.139 -18.049 2.047 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.653 -16.767 2.925 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.557 -15.858 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.668 -13.572 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.277 -14.638 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.028 -14.242 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.901 -14.477 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.286 -15.224 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.720 -16.219 0.638 1.00 0.00 H new ATOM 1345 N ALA A 91 -5.801 -17.037 5.417 1.00 0.00 N ATOM 1346 CA ALA A 91 -5.714 -17.438 6.849 1.00 0.00 C ATOM 1347 C ALA A 91 -6.781 -16.732 7.724 1.00 0.00 C ATOM 1348 O ALA A 91 -7.359 -17.358 8.616 1.00 0.00 O ATOM 1349 CB ALA A 91 -4.304 -17.155 7.385 1.00 0.00 C ATOM 0 H ALA A 91 -4.965 -16.560 5.080 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.916 -18.508 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.247 -17.450 8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.574 -17.723 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.088 -16.090 7.296 1.00 0.00 H new ATOM 1355 N MET A 92 -6.976 -15.419 7.465 1.00 0.00 N ATOM 1356 CA MET A 92 -8.114 -14.590 7.958 1.00 0.00 C ATOM 1357 C MET A 92 -8.378 -14.709 9.489 1.00 0.00 C ATOM 1358 O MET A 92 -9.233 -15.478 9.944 1.00 0.00 O ATOM 1359 CB MET A 92 -9.394 -14.833 7.085 1.00 0.00 C ATOM 1360 CG MET A 92 -10.076 -16.213 7.215 1.00 0.00 C ATOM 1361 SD MET A 92 -10.964 -16.713 5.732 1.00 0.00 S ATOM 1362 CE MET A 92 -11.948 -15.264 5.394 1.00 0.00 C ATOM 0 H MET A 92 -6.327 -14.884 6.888 1.00 0.00 H new ATOM 0 HA MET A 92 -7.819 -13.548 7.832 1.00 0.00 H new ATOM 0 HB2 MET A 92 -10.127 -14.067 7.337 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.125 -14.685 6.039 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.320 -16.963 7.447 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.770 -16.189 8.055 1.00 0.00 H new ATOM 0 HE1 MET A 92 -12.972 -15.564 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.943 -14.610 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.531 -14.732 4.539 1.00 0.00 H new ATOM 1372 N LEU A 93 -7.598 -13.964 10.292 1.00 0.00 N ATOM 1373 CA LEU A 93 -7.744 -13.970 11.763 1.00 0.00 C ATOM 1374 C LEU A 93 -8.247 -12.593 12.252 1.00 0.00 C ATOM 1375 O LEU A 93 -7.469 -11.742 12.693 1.00 0.00 O ATOM 1376 CB LEU A 93 -6.423 -14.447 12.497 1.00 0.00 C ATOM 1377 CG LEU A 93 -5.014 -14.157 11.845 1.00 0.00 C ATOM 1378 CD1 LEU A 93 -4.757 -15.026 10.603 1.00 0.00 C ATOM 1379 CD2 LEU A 93 -4.798 -12.658 11.542 1.00 0.00 C ATOM 0 H LEU A 93 -6.859 -13.349 9.950 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.499 -14.709 12.031 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.421 -13.995 13.489 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.500 -15.525 12.638 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.273 -14.438 12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.776 -14.790 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.789 -16.079 10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.523 -14.826 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.814 -12.515 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.565 -12.313 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.862 -12.087 12.468 1.00 0.00 H new ATOM 1391 N GLN A 94 -9.584 -12.429 12.171 1.00 0.00 N ATOM 1392 CA GLN A 94 -10.334 -11.256 12.663 1.00 0.00 C ATOM 1393 C GLN A 94 -11.815 -11.486 12.313 1.00 0.00 C ATOM 1394 O GLN A 94 -12.148 -11.682 11.136 1.00 0.00 O ATOM 1395 CB GLN A 94 -9.804 -9.899 12.061 1.00 0.00 C ATOM 1396 CG GLN A 94 -10.288 -8.588 12.754 1.00 0.00 C ATOM 1397 CD GLN A 94 -11.706 -8.136 12.392 1.00 0.00 C ATOM 1398 OE1 GLN A 94 -12.190 -8.399 11.293 1.00 0.00 O ATOM 1399 NE2 GLN A 94 -12.369 -7.435 13.303 1.00 0.00 N ATOM 0 H GLN A 94 -10.190 -13.132 11.748 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.199 -11.161 13.740 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -8.715 -9.917 12.090 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.095 -9.856 11.011 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.234 -8.727 13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.594 -7.786 12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.938 -7.234 14.205 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.310 -7.097 13.101 1.00 0.00 H new ATOM 1408 N GLN A 95 -12.682 -11.514 13.335 1.00 0.00 N ATOM 1409 CA GLN A 95 -14.135 -11.627 13.159 1.00 0.00 C ATOM 1410 C GLN A 95 -14.692 -10.254 12.734 1.00 0.00 C ATOM 1411 O GLN A 95 -14.558 -9.299 13.506 1.00 0.00 O ATOM 1412 CB GLN A 95 -14.792 -12.098 14.480 1.00 0.00 C ATOM 1413 CG GLN A 95 -14.303 -13.467 14.990 1.00 0.00 C ATOM 1414 CD GLN A 95 -14.998 -13.918 16.281 1.00 0.00 C ATOM 1415 OE1 GLN A 95 -15.396 -13.097 17.113 1.00 0.00 O ATOM 1416 NE2 GLN A 95 -15.152 -15.223 16.458 1.00 0.00 N ATOM 0 H GLN A 95 -12.393 -11.459 14.311 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.361 -12.362 12.387 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.604 -11.350 15.250 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -15.872 -12.143 14.337 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.469 -14.216 14.216 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.228 -13.420 15.162 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.813 -15.877 15.753 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.610 -15.573 17.300 1.00 0.00 H new ATOM 1425 N PRO A 96 -15.295 -10.135 11.494 1.00 0.00 N ATOM 1426 CA PRO A 96 -15.835 -8.858 10.953 1.00 0.00 C ATOM 1427 C PRO A 96 -16.636 -8.043 11.993 1.00 0.00 C ATOM 1428 O PRO A 96 -17.707 -8.464 12.438 1.00 0.00 O ATOM 1429 CB PRO A 96 -16.724 -9.321 9.773 1.00 0.00 C ATOM 1430 CG PRO A 96 -16.062 -10.572 9.284 1.00 0.00 C ATOM 1431 CD PRO A 96 -15.480 -11.246 10.515 1.00 0.00 C ATOM 0 HA PRO A 96 -15.041 -8.173 10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.747 -9.512 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.773 -8.564 8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.779 -11.223 8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.281 -10.343 8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.152 -12.011 10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -14.534 -11.738 10.289 1.00 0.00 H new ATOM 1439 N ALA A 97 -16.063 -6.903 12.401 1.00 0.00 N ATOM 1440 CA ALA A 97 -16.569 -6.071 13.504 1.00 0.00 C ATOM 1441 C ALA A 97 -16.946 -4.680 12.992 1.00 0.00 C ATOM 1442 O ALA A 97 -16.299 -4.154 12.080 1.00 0.00 O ATOM 1443 CB ALA A 97 -15.499 -5.979 14.600 1.00 0.00 C ATOM 0 H ALA A 97 -15.220 -6.525 11.967 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.466 -6.527 13.922 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -15.870 -5.363 15.420 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.271 -6.978 14.971 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.595 -5.530 14.189 1.00 0.00 H new ATOM 1449 N LYS A 98 -17.988 -4.089 13.587 1.00 0.00 N ATOM 1450 CA LYS A 98 -18.477 -2.762 13.202 1.00 0.00 C ATOM 1451 C LYS A 98 -17.517 -1.677 13.753 1.00 0.00 C ATOM 1452 O LYS A 98 -17.593 -1.313 14.930 1.00 0.00 O ATOM 1453 CB LYS A 98 -19.941 -2.556 13.732 1.00 0.00 C ATOM 1454 CG LYS A 98 -20.963 -2.002 12.701 1.00 0.00 C ATOM 1455 CD LYS A 98 -20.401 -0.864 11.826 1.00 0.00 C ATOM 1456 CE LYS A 98 -21.488 -0.139 11.023 1.00 0.00 C ATOM 1457 NZ LYS A 98 -22.293 -1.057 10.169 1.00 0.00 N ATOM 0 H LYS A 98 -18.515 -4.517 14.348 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.501 -2.678 12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -20.310 -3.512 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -19.907 -1.875 14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -21.293 -2.816 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -21.843 -1.640 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.885 -0.145 12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.660 -1.272 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -22.152 0.384 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.022 0.619 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.280 -0.717 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -21.888 -2.014 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -23.274 -1.081 10.514 1.00 0.00 H new ATOM 1471 N MET A 99 -16.618 -1.193 12.884 1.00 0.00 N ATOM 1472 CA MET A 99 -15.659 -0.108 13.206 1.00 0.00 C ATOM 1473 C MET A 99 -16.384 1.253 13.151 1.00 0.00 C ATOM 1474 O MET A 99 -17.489 1.347 12.596 1.00 0.00 O ATOM 1475 CB MET A 99 -14.467 -0.159 12.193 1.00 0.00 C ATOM 1476 CG MET A 99 -13.286 0.782 12.471 1.00 0.00 C ATOM 1477 SD MET A 99 -12.492 0.450 14.055 1.00 0.00 S ATOM 1478 CE MET A 99 -12.014 -1.275 13.888 1.00 0.00 C ATOM 0 H MET A 99 -16.529 -1.541 11.929 1.00 0.00 H new ATOM 0 HA MET A 99 -15.262 -0.240 14.213 1.00 0.00 H new ATOM 0 HB2 MET A 99 -14.089 -1.181 12.164 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.855 0.066 11.199 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.551 0.682 11.672 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.637 1.814 12.454 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.254 -1.515 14.631 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.886 -1.911 14.042 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.612 -1.446 12.889 1.00 0.00 H new ATOM 1488 N GLU A 100 -15.762 2.296 13.731 1.00 0.00 N ATOM 1489 CA GLU A 100 -16.275 3.685 13.662 1.00 0.00 C ATOM 1490 C GLU A 100 -16.350 4.198 12.204 1.00 0.00 C ATOM 1491 O GLU A 100 -17.178 5.053 11.887 1.00 0.00 O ATOM 1492 CB GLU A 100 -15.381 4.622 14.513 1.00 0.00 C ATOM 1493 CG GLU A 100 -15.309 4.244 16.004 1.00 0.00 C ATOM 1494 CD GLU A 100 -14.447 5.217 16.829 1.00 0.00 C ATOM 1495 OE1 GLU A 100 -13.205 5.083 16.817 1.00 0.00 O ATOM 1496 OE2 GLU A 100 -15.007 6.128 17.478 1.00 0.00 O ATOM 0 H GLU A 100 -14.894 2.205 14.259 1.00 0.00 H new ATOM 0 HA GLU A 100 -17.288 3.686 14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.372 4.617 14.100 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -15.757 5.642 14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.318 4.221 16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.903 3.237 16.099 1.00 0.00 H new ATOM 1503 N PHE A 101 -15.470 3.665 11.333 1.00 0.00 N ATOM 1504 CA PHE A 101 -15.446 3.978 9.881 1.00 0.00 C ATOM 1505 C PHE A 101 -16.142 2.876 9.054 1.00 0.00 C ATOM 1506 O PHE A 101 -15.973 2.795 7.828 1.00 0.00 O ATOM 1507 CB PHE A 101 -13.980 4.225 9.422 1.00 0.00 C ATOM 1508 CG PHE A 101 -13.412 5.551 9.937 1.00 0.00 C ATOM 1509 CD1 PHE A 101 -12.965 5.681 11.254 1.00 0.00 C ATOM 1510 CD2 PHE A 101 -13.365 6.679 9.110 1.00 0.00 C ATOM 1511 CE1 PHE A 101 -12.493 6.889 11.726 1.00 0.00 C ATOM 1512 CE2 PHE A 101 -12.886 7.885 9.583 1.00 0.00 C ATOM 1513 CZ PHE A 101 -12.451 7.990 10.890 1.00 0.00 C ATOM 0 H PHE A 101 -14.749 3.000 11.614 1.00 0.00 H new ATOM 0 HA PHE A 101 -16.013 4.892 9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -13.352 3.406 9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -13.939 4.216 8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -12.989 4.825 11.912 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.708 6.606 8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.156 6.975 12.749 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.852 8.746 8.931 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.077 8.934 11.260 1.00 0.00 H new ATOM 1523 N GLY A 102 -16.914 2.019 9.742 1.00 0.00 N ATOM 1524 CA GLY A 102 -17.838 1.090 9.095 1.00 0.00 C ATOM 1525 C GLY A 102 -17.526 -0.373 9.377 1.00 0.00 C ATOM 1526 O GLY A 102 -16.548 -0.680 10.043 1.00 0.00 O ATOM 0 H GLY A 102 -16.911 1.955 10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -18.853 1.308 9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.814 1.257 8.018 1.00 0.00 H new ATOM 1530 N TYR A 103 -18.335 -1.281 8.814 1.00 0.00 N ATOM 1531 CA TYR A 103 -18.259 -2.719 9.130 1.00 0.00 C ATOM 1532 C TYR A 103 -17.009 -3.328 8.466 1.00 0.00 C ATOM 1533 O TYR A 103 -17.014 -3.579 7.262 1.00 0.00 O ATOM 1534 CB TYR A 103 -19.549 -3.426 8.647 1.00 0.00 C ATOM 1535 CG TYR A 103 -19.712 -4.837 9.214 1.00 0.00 C ATOM 1536 CD1 TYR A 103 -20.034 -5.012 10.556 1.00 0.00 C ATOM 1537 CD2 TYR A 103 -19.547 -5.976 8.426 1.00 0.00 C ATOM 1538 CE1 TYR A 103 -20.191 -6.259 11.097 1.00 0.00 C ATOM 1539 CE2 TYR A 103 -19.704 -7.236 8.962 1.00 0.00 C ATOM 1540 CZ TYR A 103 -20.027 -7.375 10.300 1.00 0.00 C ATOM 1541 OH TYR A 103 -20.187 -8.633 10.838 1.00 0.00 O ATOM 0 H TYR A 103 -19.056 -1.045 8.132 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.176 -2.858 10.208 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -20.413 -2.825 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -19.541 -3.478 7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -20.163 -4.144 11.185 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -19.293 -5.869 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -20.442 -6.370 12.142 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.576 -8.110 8.341 1.00 0.00 H new ATOM 0 HH TYR A 103 -19.441 -8.827 11.444 1.00 0.00 H new ATOM 1551 N THR A 104 -15.948 -3.569 9.259 1.00 0.00 N ATOM 1552 CA THR A 104 -14.616 -3.921 8.738 1.00 0.00 C ATOM 1553 C THR A 104 -14.267 -5.387 9.036 1.00 0.00 C ATOM 1554 O THR A 104 -14.815 -6.003 9.947 1.00 0.00 O ATOM 1555 CB THR A 104 -13.499 -2.983 9.328 1.00 0.00 C ATOM 1556 OG1 THR A 104 -12.277 -3.146 8.589 1.00 0.00 O ATOM 1557 CG2 THR A 104 -13.219 -3.260 10.822 1.00 0.00 C ATOM 0 H THR A 104 -15.991 -3.525 10.277 1.00 0.00 H new ATOM 0 HA THR A 104 -14.654 -3.781 7.658 1.00 0.00 H new ATOM 0 HB THR A 104 -13.868 -1.961 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.549 -2.683 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.440 -2.585 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.130 -3.099 11.399 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.889 -4.291 10.945 1.00 0.00 H new ATOM 1565 N PHE A 105 -13.337 -5.903 8.238 1.00 0.00 N ATOM 1566 CA PHE A 105 -12.763 -7.245 8.367 1.00 0.00 C ATOM 1567 C PHE A 105 -11.276 -7.186 7.986 1.00 0.00 C ATOM 1568 O PHE A 105 -10.929 -6.418 7.097 1.00 0.00 O ATOM 1569 CB PHE A 105 -13.577 -8.230 7.463 1.00 0.00 C ATOM 1570 CG PHE A 105 -12.851 -9.497 6.998 1.00 0.00 C ATOM 1571 CD1 PHE A 105 -12.272 -10.388 7.906 1.00 0.00 C ATOM 1572 CD2 PHE A 105 -12.738 -9.781 5.636 1.00 0.00 C ATOM 1573 CE1 PHE A 105 -11.604 -11.510 7.460 1.00 0.00 C ATOM 1574 CE2 PHE A 105 -12.075 -10.896 5.195 1.00 0.00 C ATOM 1575 CZ PHE A 105 -11.506 -11.763 6.105 1.00 0.00 C ATOM 0 H PHE A 105 -12.946 -5.381 7.454 1.00 0.00 H new ATOM 0 HA PHE A 105 -12.826 -7.610 9.392 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -14.472 -8.531 8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -13.910 -7.685 6.580 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -12.348 -10.197 8.966 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -13.182 -9.109 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.158 -12.191 8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -11.998 -11.096 4.136 1.00 0.00 H new ATOM 0 HZ PHE A 105 -10.983 -12.642 5.758 1.00 0.00 H new ATOM 1585 N THR A 106 -10.387 -7.927 8.670 1.00 0.00 N ATOM 1586 CA THR A 106 -8.944 -7.927 8.329 1.00 0.00 C ATOM 1587 C THR A 106 -8.400 -9.365 8.259 1.00 0.00 C ATOM 1588 O THR A 106 -8.484 -10.125 9.220 1.00 0.00 O ATOM 1589 CB THR A 106 -8.123 -7.075 9.346 1.00 0.00 C ATOM 1590 OG1 THR A 106 -8.704 -5.762 9.448 1.00 0.00 O ATOM 1591 CG2 THR A 106 -6.637 -6.931 8.942 1.00 0.00 C ATOM 0 H THR A 106 -10.634 -8.530 9.455 1.00 0.00 H new ATOM 0 HA THR A 106 -8.834 -7.470 7.345 1.00 0.00 H new ATOM 0 HB THR A 106 -8.158 -7.597 10.302 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.591 -5.424 10.361 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.115 -6.329 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.178 -7.918 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.570 -6.445 7.969 1.00 0.00 H new ATOM 1599 N ALA A 107 -7.857 -9.713 7.097 1.00 0.00 N ATOM 1600 CA ALA A 107 -7.341 -11.044 6.802 1.00 0.00 C ATOM 1601 C ALA A 107 -5.805 -11.073 6.746 1.00 0.00 C ATOM 1602 O ALA A 107 -5.162 -10.075 6.413 1.00 0.00 O ATOM 1603 CB ALA A 107 -7.929 -11.520 5.471 1.00 0.00 C ATOM 0 H ALA A 107 -7.762 -9.063 6.317 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.640 -11.713 7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.549 -12.515 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.016 -11.554 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.641 -10.829 4.678 1.00 0.00 H new ATOM 1609 N ALA A 108 -5.241 -12.230 7.092 1.00 0.00 N ATOM 1610 CA ALA A 108 -3.836 -12.584 6.816 1.00 0.00 C ATOM 1611 C ALA A 108 -3.835 -13.811 5.900 1.00 0.00 C ATOM 1612 O ALA A 108 -4.885 -14.395 5.661 1.00 0.00 O ATOM 1613 CB ALA A 108 -3.062 -12.850 8.117 1.00 0.00 C ATOM 0 H ALA A 108 -5.751 -12.965 7.581 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.329 -11.754 6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.030 -13.108 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -3.078 -11.955 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.528 -13.675 8.655 1.00 0.00 H new ATOM 1619 N ASP A 109 -2.672 -14.210 5.402 1.00 0.00 N ATOM 1620 CA ASP A 109 -2.549 -15.356 4.469 1.00 0.00 C ATOM 1621 C ASP A 109 -1.221 -16.101 4.776 1.00 0.00 C ATOM 1622 O ASP A 109 -0.570 -15.754 5.772 1.00 0.00 O ATOM 1623 CB ASP A 109 -2.640 -14.831 3.004 1.00 0.00 C ATOM 1624 CG ASP A 109 -1.457 -13.960 2.603 1.00 0.00 C ATOM 1625 OD1 ASP A 109 -1.377 -12.846 3.104 1.00 0.00 O ATOM 1626 OD2 ASP A 109 -0.614 -14.388 1.785 1.00 0.00 O ATOM 0 H ASP A 109 -1.783 -13.761 5.623 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.360 -16.072 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.704 -15.681 2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.560 -14.259 2.887 1.00 0.00 H new ATOM 1631 N PRO A 110 -0.828 -17.183 4.000 1.00 0.00 N ATOM 1632 CA PRO A 110 0.534 -17.788 4.056 1.00 0.00 C ATOM 1633 C PRO A 110 1.682 -16.750 4.229 1.00 0.00 C ATOM 1634 O PRO A 110 2.490 -16.863 5.158 1.00 0.00 O ATOM 1635 CB PRO A 110 0.639 -18.534 2.684 1.00 0.00 C ATOM 1636 CG PRO A 110 -0.687 -18.320 1.990 1.00 0.00 C ATOM 1637 CD PRO A 110 -1.673 -17.993 3.080 1.00 0.00 C ATOM 0 HA PRO A 110 0.652 -18.434 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.460 -18.138 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.835 -19.596 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.622 -17.509 1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.991 -19.213 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.529 -17.431 2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.065 -18.888 3.562 1.00 0.00 H new ATOM 1645 N ASP A 111 1.700 -15.715 3.363 1.00 0.00 N ATOM 1646 CA ASP A 111 2.785 -14.697 3.339 1.00 0.00 C ATOM 1647 C ASP A 111 2.636 -13.675 4.492 1.00 0.00 C ATOM 1648 O ASP A 111 3.575 -12.922 4.780 1.00 0.00 O ATOM 1649 CB ASP A 111 2.812 -13.960 1.973 1.00 0.00 C ATOM 1650 CG ASP A 111 4.167 -13.304 1.658 1.00 0.00 C ATOM 1651 OD1 ASP A 111 5.062 -13.999 1.136 1.00 0.00 O ATOM 1652 OD2 ASP A 111 4.344 -12.106 1.937 1.00 0.00 O ATOM 0 H ASP A 111 0.973 -15.557 2.665 1.00 0.00 H new ATOM 0 HA ASP A 111 3.729 -15.224 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.567 -14.669 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 111 2.036 -13.194 1.966 1.00 0.00 H new ATOM 1657 N SER A 112 1.434 -13.657 5.117 1.00 0.00 N ATOM 1658 CA SER A 112 1.114 -12.830 6.301 1.00 0.00 C ATOM 1659 C SER A 112 0.995 -11.343 5.924 1.00 0.00 C ATOM 1660 O SER A 112 1.623 -10.462 6.534 1.00 0.00 O ATOM 1661 CB SER A 112 2.125 -13.072 7.459 1.00 0.00 C ATOM 1662 OG SER A 112 2.217 -14.455 7.765 1.00 0.00 O ATOM 0 H SER A 112 0.648 -14.227 4.806 1.00 0.00 H new ATOM 0 HA SER A 112 0.138 -13.142 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.106 -12.691 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.811 -12.519 8.344 1.00 0.00 H new ATOM 0 HG SER A 112 2.859 -14.587 8.494 1.00 0.00 H new ATOM 1668 N HIS A 113 0.161 -11.087 4.903 1.00 0.00 N ATOM 1669 CA HIS A 113 -0.245 -9.726 4.501 1.00 0.00 C ATOM 1670 C HIS A 113 -1.365 -9.232 5.438 1.00 0.00 C ATOM 1671 O HIS A 113 -1.845 -9.972 6.310 1.00 0.00 O ATOM 1672 CB HIS A 113 -0.752 -9.687 3.022 1.00 0.00 C ATOM 1673 CG HIS A 113 0.172 -10.315 2.011 1.00 0.00 C ATOM 1674 ND1 HIS A 113 -0.267 -11.160 1.011 1.00 0.00 N ATOM 1675 CD2 HIS A 113 1.507 -10.226 1.848 1.00 0.00 C ATOM 1676 CE1 HIS A 113 0.754 -11.563 0.290 1.00 0.00 C ATOM 1677 NE2 HIS A 113 1.846 -11.011 0.777 1.00 0.00 N ATOM 0 H HIS A 113 -0.254 -11.821 4.329 1.00 0.00 H new ATOM 0 HA HIS A 113 0.628 -9.077 4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -1.717 -10.192 2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -0.921 -8.648 2.740 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -1.238 -11.430 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.186 -9.642 2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 113 0.706 -12.232 -0.557 1.00 0.00 H new ATOM 1686 N ARG A 114 -1.765 -7.973 5.259 1.00 0.00 N ATOM 1687 CA ARG A 114 -2.897 -7.367 5.970 1.00 0.00 C ATOM 1688 C ARG A 114 -3.896 -6.858 4.930 1.00 0.00 C ATOM 1689 O ARG A 114 -3.641 -5.875 4.236 1.00 0.00 O ATOM 1690 CB ARG A 114 -2.399 -6.240 6.912 1.00 0.00 C ATOM 1691 CG ARG A 114 -1.718 -6.749 8.202 1.00 0.00 C ATOM 1692 CD ARG A 114 -2.706 -7.483 9.130 1.00 0.00 C ATOM 1693 NE ARG A 114 -2.046 -8.044 10.325 1.00 0.00 N ATOM 1694 CZ ARG A 114 -2.403 -7.799 11.597 1.00 0.00 C ATOM 1695 NH1 ARG A 114 -3.318 -6.866 11.890 1.00 0.00 N ATOM 1696 NH2 ARG A 114 -1.798 -8.453 12.577 1.00 0.00 N ATOM 0 H ARG A 114 -1.308 -7.335 4.608 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.396 -8.101 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -1.696 -5.610 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.245 -5.610 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -0.901 -7.421 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.278 -5.906 8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -3.489 -6.792 9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.192 -8.286 8.576 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.254 -8.669 10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -3.756 -6.328 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.577 -6.693 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.070 -9.134 12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.060 -8.276 13.547 1.00 0.00 H new ATOM 1710 N LEU A 115 -5.006 -7.591 4.795 1.00 0.00 N ATOM 1711 CA LEU A 115 -6.005 -7.388 3.736 1.00 0.00 C ATOM 1712 C LEU A 115 -7.352 -7.018 4.376 1.00 0.00 C ATOM 1713 O LEU A 115 -8.046 -7.884 4.903 1.00 0.00 O ATOM 1714 CB LEU A 115 -6.140 -8.700 2.916 1.00 0.00 C ATOM 1715 CG LEU A 115 -4.818 -9.316 2.362 1.00 0.00 C ATOM 1716 CD1 LEU A 115 -5.067 -10.725 1.793 1.00 0.00 C ATOM 1717 CD2 LEU A 115 -4.152 -8.384 1.318 1.00 0.00 C ATOM 0 H LEU A 115 -5.241 -8.355 5.428 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.696 -6.580 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.626 -9.446 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.806 -8.509 2.074 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.119 -9.414 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.131 -11.134 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.453 -11.372 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.794 -10.667 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.234 -8.844 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.835 -8.226 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.918 -7.426 1.782 1.00 0.00 H new ATOM 1729 N ARG A 116 -7.717 -5.743 4.322 1.00 0.00 N ATOM 1730 CA ARG A 116 -8.968 -5.235 4.911 1.00 0.00 C ATOM 1731 C ARG A 116 -10.118 -5.344 3.892 1.00 0.00 C ATOM 1732 O ARG A 116 -9.888 -5.260 2.703 1.00 0.00 O ATOM 1733 CB ARG A 116 -8.782 -3.754 5.353 1.00 0.00 C ATOM 1734 CG ARG A 116 -10.017 -3.109 6.033 1.00 0.00 C ATOM 1735 CD ARG A 116 -9.835 -1.611 6.340 1.00 0.00 C ATOM 1736 NE ARG A 116 -11.020 -1.053 7.022 1.00 0.00 N ATOM 1737 CZ ARG A 116 -11.231 0.244 7.316 1.00 0.00 C ATOM 1738 NH1 ARG A 116 -10.356 1.178 6.967 1.00 0.00 N ATOM 1739 NH2 ARG A 116 -12.345 0.595 7.951 1.00 0.00 N ATOM 0 H ARG A 116 -7.157 -5.022 3.868 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.218 -5.837 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -7.939 -3.700 6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -8.518 -3.161 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -10.886 -3.237 5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -10.229 -3.639 6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -8.954 -1.471 6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.657 -1.067 5.412 1.00 0.00 H new ATOM 0 HE ARG A 116 -11.748 -1.713 7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -9.506 0.919 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -10.534 2.155 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -13.030 -0.115 8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -12.515 1.575 8.179 1.00 0.00 H new ATOM 1753 N VAL A 117 -11.336 -5.606 4.375 1.00 0.00 N ATOM 1754 CA VAL A 117 -12.585 -5.402 3.617 1.00 0.00 C ATOM 1755 C VAL A 117 -13.532 -4.651 4.539 1.00 0.00 C ATOM 1756 O VAL A 117 -13.868 -5.173 5.606 1.00 0.00 O ATOM 1757 CB VAL A 117 -13.288 -6.743 3.167 1.00 0.00 C ATOM 1758 CG1 VAL A 117 -14.464 -6.461 2.194 1.00 0.00 C ATOM 1759 CG2 VAL A 117 -12.286 -7.725 2.555 1.00 0.00 C ATOM 0 H VAL A 117 -11.490 -5.971 5.315 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.343 -4.862 2.702 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.700 -7.212 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -14.928 -7.403 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -15.203 -5.831 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -14.088 -5.951 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.805 -8.636 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.819 -7.271 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.519 -7.968 3.291 1.00 0.00 H new ATOM 1769 N TYR A 118 -13.969 -3.447 4.162 1.00 0.00 N ATOM 1770 CA TYR A 118 -14.858 -2.656 5.037 1.00 0.00 C ATOM 1771 C TYR A 118 -16.131 -2.243 4.303 1.00 0.00 C ATOM 1772 O TYR A 118 -16.169 -2.277 3.074 1.00 0.00 O ATOM 1773 CB TYR A 118 -14.128 -1.451 5.691 1.00 0.00 C ATOM 1774 CG TYR A 118 -13.956 -0.205 4.817 1.00 0.00 C ATOM 1775 CD1 TYR A 118 -13.146 -0.228 3.687 1.00 0.00 C ATOM 1776 CD2 TYR A 118 -14.601 0.998 5.139 1.00 0.00 C ATOM 1777 CE1 TYR A 118 -12.990 0.891 2.910 1.00 0.00 C ATOM 1778 CE2 TYR A 118 -14.444 2.123 4.359 1.00 0.00 C ATOM 1779 CZ TYR A 118 -13.641 2.065 3.243 1.00 0.00 C ATOM 1780 OH TYR A 118 -13.478 3.186 2.452 1.00 0.00 O ATOM 0 H TYR A 118 -13.732 -3.000 3.277 1.00 0.00 H new ATOM 0 HA TYR A 118 -15.159 -3.302 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -14.676 -1.166 6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.140 -1.783 6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.633 -1.139 3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -15.232 1.043 6.014 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.357 0.856 2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -14.947 3.042 4.621 1.00 0.00 H new ATOM 0 HH TYR A 118 -12.523 3.343 2.301 1.00 0.00 H new ATOM 1790 N ALA A 119 -17.134 -1.804 5.052 1.00 0.00 N ATOM 1791 CA ALA A 119 -18.357 -1.212 4.508 1.00 0.00 C ATOM 1792 C ALA A 119 -18.572 0.109 5.226 1.00 0.00 C ATOM 1793 O ALA A 119 -18.852 0.096 6.411 1.00 0.00 O ATOM 1794 CB ALA A 119 -19.539 -2.152 4.759 1.00 0.00 C ATOM 0 H ALA A 119 -17.124 -1.848 6.071 1.00 0.00 H new ATOM 0 HA ALA A 119 -18.274 -1.053 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -20.449 -1.709 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -19.353 -3.109 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -19.659 -2.308 5.831 1.00 0.00 H new ATOM 1800 N PHE A 120 -18.434 1.243 4.529 1.00 0.00 N ATOM 1801 CA PHE A 120 -18.464 2.560 5.187 1.00 0.00 C ATOM 1802 C PHE A 120 -19.912 2.917 5.571 1.00 0.00 C ATOM 1803 O PHE A 120 -20.778 3.022 4.701 1.00 0.00 O ATOM 1804 CB PHE A 120 -17.856 3.659 4.272 1.00 0.00 C ATOM 1805 CG PHE A 120 -17.705 5.008 4.981 1.00 0.00 C ATOM 1806 CD1 PHE A 120 -16.627 5.242 5.838 1.00 0.00 C ATOM 1807 CD2 PHE A 120 -18.647 6.022 4.815 1.00 0.00 C ATOM 1808 CE1 PHE A 120 -16.501 6.446 6.502 1.00 0.00 C ATOM 1809 CE2 PHE A 120 -18.517 7.223 5.477 1.00 0.00 C ATOM 1810 CZ PHE A 120 -17.446 7.436 6.321 1.00 0.00 C ATOM 0 H PHE A 120 -18.301 1.279 3.518 1.00 0.00 H new ATOM 0 HA PHE A 120 -17.857 2.509 6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.880 3.330 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -18.489 3.785 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -15.883 4.472 5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -19.490 5.864 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -15.663 6.613 7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -19.254 7.999 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 120 -17.347 8.378 6.840 1.00 0.00 H new ATOM 1820 N ALA A 121 -20.181 3.064 6.879 1.00 0.00 N ATOM 1821 CA ALA A 121 -21.530 3.384 7.378 1.00 0.00 C ATOM 1822 C ALA A 121 -21.866 4.849 7.060 1.00 0.00 C ATOM 1823 O ALA A 121 -21.388 5.773 7.727 1.00 0.00 O ATOM 1824 CB ALA A 121 -21.634 3.085 8.879 1.00 0.00 C ATOM 0 H ALA A 121 -19.479 2.966 7.613 1.00 0.00 H new ATOM 0 HA ALA A 121 -22.262 2.753 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -22.637 3.328 9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -21.434 2.028 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -20.905 3.687 9.421 1.00 0.00 H new ATOM 1830 N GLY A 122 -22.654 5.037 5.995 1.00 0.00 N ATOM 1831 CA GLY A 122 -23.046 6.356 5.523 1.00 0.00 C ATOM 1832 C GLY A 122 -24.171 6.251 4.495 1.00 0.00 C ATOM 1833 O GLY A 122 -25.352 6.325 4.879 1.00 0.00 O ATOM 1834 OXT GLY A 122 -23.880 6.029 3.301 1.00 0.00 O ATOM 0 H GLY A 122 -23.035 4.271 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -23.372 6.967 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -22.187 6.859 5.079 1.00 0.00 H new TER 1838 GLY A 122 ATOM 1839 N MET B 1 -11.403 -10.378 -7.574 1.00 0.00 N ATOM 1840 CA MET B 1 -12.797 -10.470 -7.079 1.00 0.00 C ATOM 1841 C MET B 1 -13.280 -9.113 -6.548 1.00 0.00 C ATOM 1842 O MET B 1 -14.354 -8.634 -6.927 1.00 0.00 O ATOM 1843 CB MET B 1 -12.925 -11.588 -6.005 1.00 0.00 C ATOM 1844 CG MET B 1 -11.923 -11.492 -4.847 1.00 0.00 C ATOM 1845 SD MET B 1 -12.204 -12.729 -3.572 1.00 0.00 S ATOM 1846 CE MET B 1 -13.804 -12.224 -2.945 1.00 0.00 C ATOM 0 H1 MET B 1 -11.401 -10.413 -8.613 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.980 -9.482 -7.257 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.848 -11.174 -7.199 1.00 0.00 H new ATOM 0 HA MET B 1 -13.443 -10.740 -7.914 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.935 -11.563 -5.595 1.00 0.00 H new ATOM 0 HB3 MET B 1 -12.802 -12.555 -6.493 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.912 -11.604 -5.238 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.984 -10.499 -4.402 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.918 -12.570 -1.918 1.00 0.00 H new ATOM 0 HE2 MET B 1 -13.879 -11.137 -2.972 1.00 0.00 H new ATOM 0 HE3 MET B 1 -14.590 -12.657 -3.563 1.00 0.00 H new ATOM 1856 N THR B 2 -12.472 -8.485 -5.686 1.00 0.00 N ATOM 1857 CA THR B 2 -12.810 -7.213 -5.044 1.00 0.00 C ATOM 1858 C THR B 2 -11.666 -6.217 -5.295 1.00 0.00 C ATOM 1859 O THR B 2 -10.493 -6.583 -5.189 1.00 0.00 O ATOM 1860 CB THR B 2 -13.037 -7.425 -3.510 1.00 0.00 C ATOM 1861 OG1 THR B 2 -13.923 -8.532 -3.294 1.00 0.00 O ATOM 1862 CG2 THR B 2 -13.625 -6.173 -2.835 1.00 0.00 C ATOM 0 H THR B 2 -11.559 -8.849 -5.414 1.00 0.00 H new ATOM 0 HA THR B 2 -13.734 -6.816 -5.465 1.00 0.00 H new ATOM 0 HB THR B 2 -12.063 -7.627 -3.064 1.00 0.00 H new ATOM 0 HG1 THR B 2 -14.366 -8.432 -2.425 1.00 0.00 H new ATOM 0 HG21 THR B 2 -13.766 -6.365 -1.771 1.00 0.00 H new ATOM 0 HG22 THR B 2 -12.941 -5.334 -2.965 1.00 0.00 H new ATOM 0 HG23 THR B 2 -14.585 -5.931 -3.290 1.00 0.00 H new ATOM 1870 N HIS B 3 -12.023 -4.976 -5.639 1.00 0.00 N ATOM 1871 CA HIS B 3 -11.069 -3.928 -6.051 1.00 0.00 C ATOM 1872 C HIS B 3 -10.641 -3.071 -4.836 1.00 0.00 C ATOM 1873 O HIS B 3 -11.493 -2.418 -4.212 1.00 0.00 O ATOM 1874 CB HIS B 3 -11.723 -3.011 -7.120 1.00 0.00 C ATOM 1875 CG HIS B 3 -12.346 -3.731 -8.279 1.00 0.00 C ATOM 1876 ND1 HIS B 3 -13.637 -4.212 -8.252 1.00 0.00 N ATOM 1877 CD2 HIS B 3 -11.859 -4.041 -9.498 1.00 0.00 C ATOM 1878 CE1 HIS B 3 -13.913 -4.783 -9.405 1.00 0.00 C ATOM 1879 NE2 HIS B 3 -12.853 -4.697 -10.184 1.00 0.00 N ATOM 0 H HIS B 3 -12.993 -4.662 -5.641 1.00 0.00 H new ATOM 0 HA HIS B 3 -10.187 -4.412 -6.470 1.00 0.00 H new ATOM 0 HB2 HIS B 3 -12.487 -2.403 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS B 3 -10.966 -2.326 -7.502 1.00 0.00 H new ATOM 0 HD2 HIS B 3 -10.870 -3.815 -9.867 1.00 0.00 H new ATOM 0 HE1 HIS B 3 -14.852 -5.246 -9.669 1.00 0.00 H new ATOM 0 HE2 HIS B 3 -12.782 -5.057 -11.136 1.00 0.00 H new ATOM 1888 N PRO B 4 -9.334 -3.087 -4.441 1.00 0.00 N ATOM 1889 CA PRO B 4 -8.790 -2.159 -3.447 1.00 0.00 C ATOM 1890 C PRO B 4 -8.077 -0.946 -4.098 1.00 0.00 C ATOM 1891 O PRO B 4 -6.914 -1.025 -4.507 1.00 0.00 O ATOM 1892 CB PRO B 4 -7.817 -3.072 -2.680 1.00 0.00 C ATOM 1893 CG PRO B 4 -7.259 -3.995 -3.732 1.00 0.00 C ATOM 1894 CD PRO B 4 -8.287 -4.058 -4.864 1.00 0.00 C ATOM 0 HA PRO B 4 -9.547 -1.692 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.027 -2.495 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.329 -3.628 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -6.302 -3.626 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -7.080 -4.987 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -7.846 -3.781 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -8.695 -5.062 -4.980 1.00 0.00 H new ATOM 1902 N ASP B 5 -8.801 0.173 -4.226 1.00 0.00 N ATOM 1903 CA ASP B 5 -8.203 1.474 -4.619 1.00 0.00 C ATOM 1904 C ASP B 5 -7.831 2.296 -3.379 1.00 0.00 C ATOM 1905 O ASP B 5 -7.491 3.479 -3.471 1.00 0.00 O ATOM 1906 CB ASP B 5 -9.169 2.267 -5.531 1.00 0.00 C ATOM 1907 CG ASP B 5 -10.507 2.584 -4.856 1.00 0.00 C ATOM 1908 OD1 ASP B 5 -11.380 1.691 -4.819 1.00 0.00 O ATOM 1909 OD2 ASP B 5 -10.696 3.713 -4.351 1.00 0.00 O ATOM 0 H ASP B 5 -9.807 0.212 -4.064 1.00 0.00 H new ATOM 0 HA ASP B 5 -7.291 1.274 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -8.691 3.199 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -9.354 1.694 -6.440 1.00 0.00 H new ATOM 1914 N PHE B 6 -7.830 1.613 -2.229 1.00 0.00 N ATOM 1915 CA PHE B 6 -7.640 2.208 -0.918 1.00 0.00 C ATOM 1916 C PHE B 6 -6.506 1.442 -0.221 1.00 0.00 C ATOM 1917 O PHE B 6 -6.605 0.238 0.020 1.00 0.00 O ATOM 1918 CB PHE B 6 -8.978 2.149 -0.115 1.00 0.00 C ATOM 1919 CG PHE B 6 -9.009 2.813 1.279 1.00 0.00 C ATOM 1920 CD1 PHE B 6 -7.957 3.582 1.771 1.00 0.00 C ATOM 1921 CD2 PHE B 6 -10.124 2.652 2.098 1.00 0.00 C ATOM 1922 CE1 PHE B 6 -8.022 4.146 3.021 1.00 0.00 C ATOM 1923 CE2 PHE B 6 -10.183 3.223 3.352 1.00 0.00 C ATOM 1924 CZ PHE B 6 -9.133 3.968 3.813 1.00 0.00 C ATOM 0 H PHE B 6 -7.966 0.603 -2.193 1.00 0.00 H new ATOM 0 HA PHE B 6 -7.363 3.260 -0.991 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -9.755 2.611 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -9.250 1.101 0.007 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -7.079 3.737 1.161 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -10.960 2.068 1.744 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -7.193 4.735 3.386 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -11.058 3.082 3.969 1.00 0.00 H new ATOM 0 HZ PHE B 6 -9.176 4.415 4.795 1.00 0.00 H new ATOM 1934 N THR B 7 -5.418 2.160 0.032 1.00 0.00 N ATOM 1935 CA THR B 7 -4.287 1.689 0.834 1.00 0.00 C ATOM 1936 C THR B 7 -4.269 2.454 2.155 1.00 0.00 C ATOM 1937 O THR B 7 -4.664 3.611 2.207 1.00 0.00 O ATOM 1938 CB THR B 7 -2.930 1.897 0.095 1.00 0.00 C ATOM 1939 OG1 THR B 7 -1.848 1.416 0.914 1.00 0.00 O ATOM 1940 CG2 THR B 7 -2.673 3.374 -0.286 1.00 0.00 C ATOM 0 H THR B 7 -5.291 3.108 -0.321 1.00 0.00 H new ATOM 0 HA THR B 7 -4.410 0.620 1.009 1.00 0.00 H new ATOM 0 HB THR B 7 -2.985 1.329 -0.834 1.00 0.00 H new ATOM 0 HG1 THR B 7 -1.063 1.247 0.352 1.00 0.00 H new ATOM 0 HG21 THR B 7 -1.714 3.456 -0.797 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.467 3.723 -0.946 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.656 3.985 0.617 1.00 0.00 H new ATOM 1948 N ILE B 8 -3.835 1.782 3.217 1.00 0.00 N ATOM 1949 CA ILE B 8 -3.682 2.368 4.551 1.00 0.00 C ATOM 1950 C ILE B 8 -2.227 2.195 5.006 1.00 0.00 C ATOM 1951 O ILE B 8 -1.632 1.138 4.797 1.00 0.00 O ATOM 1952 CB ILE B 8 -4.643 1.684 5.602 1.00 0.00 C ATOM 1953 CG1 ILE B 8 -6.129 1.745 5.130 1.00 0.00 C ATOM 1954 CG2 ILE B 8 -4.484 2.324 7.004 1.00 0.00 C ATOM 1955 CD1 ILE B 8 -7.123 1.113 6.089 1.00 0.00 C ATOM 0 H ILE B 8 -3.574 0.797 3.177 1.00 0.00 H new ATOM 0 HA ILE B 8 -3.945 3.424 4.494 1.00 0.00 H new ATOM 0 HB ILE B 8 -4.357 0.635 5.676 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -6.405 2.788 4.976 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -6.210 1.248 4.163 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -5.158 1.833 7.707 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -3.455 2.205 7.344 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -4.727 3.385 6.949 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -8.130 1.201 5.680 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -6.878 0.060 6.225 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -7.076 1.624 7.051 1.00 0.00 H new ATOM 1967 N LEU B 9 -1.657 3.241 5.607 1.00 0.00 N ATOM 1968 CA LEU B 9 -0.377 3.148 6.319 1.00 0.00 C ATOM 1969 C LEU B 9 -0.706 2.820 7.778 1.00 0.00 C ATOM 1970 O LEU B 9 -1.466 3.537 8.448 1.00 0.00 O ATOM 1971 CB LEU B 9 0.453 4.459 6.182 1.00 0.00 C ATOM 1972 CG LEU B 9 1.322 4.603 4.892 1.00 0.00 C ATOM 1973 CD1 LEU B 9 2.440 3.538 4.841 1.00 0.00 C ATOM 1974 CD2 LEU B 9 0.463 4.601 3.607 1.00 0.00 C ATOM 0 H LEU B 9 -2.067 4.175 5.615 1.00 0.00 H new ATOM 0 HA LEU B 9 0.250 2.367 5.889 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.234 5.304 6.226 1.00 0.00 H new ATOM 0 HB3 LEU B 9 1.111 4.538 7.047 1.00 0.00 H new ATOM 0 HG LEU B 9 1.806 5.578 4.940 1.00 0.00 H new ATOM 0 HD11 LEU B 9 3.025 3.668 3.930 1.00 0.00 H new ATOM 0 HD12 LEU B 9 3.090 3.651 5.709 1.00 0.00 H new ATOM 0 HD13 LEU B 9 1.995 2.543 4.848 1.00 0.00 H new ATOM 0 HD21 LEU B 9 1.111 4.703 2.736 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -0.089 3.664 3.540 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -0.239 5.434 3.637 1.00 0.00 H new ATOM 1986 N TYR B 10 -0.136 1.704 8.233 1.00 0.00 N ATOM 1987 CA TYR B 10 -0.193 1.256 9.615 1.00 0.00 C ATOM 1988 C TYR B 10 0.832 2.085 10.427 1.00 0.00 C ATOM 1989 O TYR B 10 2.050 1.913 10.265 1.00 0.00 O ATOM 1990 CB TYR B 10 0.121 -0.252 9.620 1.00 0.00 C ATOM 1991 CG TYR B 10 -0.095 -0.975 10.942 1.00 0.00 C ATOM 1992 CD1 TYR B 10 -1.371 -1.363 11.337 1.00 0.00 C ATOM 1993 CD2 TYR B 10 0.970 -1.306 11.776 1.00 0.00 C ATOM 1994 CE1 TYR B 10 -1.573 -2.044 12.510 1.00 0.00 C ATOM 1995 CE2 TYR B 10 0.762 -1.991 12.950 1.00 0.00 C ATOM 1996 CZ TYR B 10 -0.504 -2.358 13.310 1.00 0.00 C ATOM 1997 OH TYR B 10 -0.702 -3.038 14.484 1.00 0.00 O ATOM 0 H TYR B 10 0.391 1.073 7.630 1.00 0.00 H new ATOM 0 HA TYR B 10 -1.172 1.402 10.072 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -0.495 -0.734 8.861 1.00 0.00 H new ATOM 0 HB3 TYR B 10 1.160 -0.387 9.320 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.217 -1.124 10.709 1.00 0.00 H new ATOM 0 HD2 TYR B 10 1.973 -1.021 11.497 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -2.572 -2.332 12.803 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.598 -2.239 13.587 1.00 0.00 H new ATOM 0 HH TYR B 10 0.160 -3.180 14.929 1.00 0.00 H new ATOM 2007 N VAL B 11 0.316 3.009 11.256 1.00 0.00 N ATOM 2008 CA VAL B 11 1.121 4.013 11.990 1.00 0.00 C ATOM 2009 C VAL B 11 0.896 3.855 13.505 1.00 0.00 C ATOM 2010 O VAL B 11 0.110 3.010 13.940 1.00 0.00 O ATOM 2011 CB VAL B 11 0.749 5.491 11.533 1.00 0.00 C ATOM 2012 CG1 VAL B 11 0.898 5.657 10.000 1.00 0.00 C ATOM 2013 CG2 VAL B 11 -0.671 5.925 11.997 1.00 0.00 C ATOM 0 H VAL B 11 -0.684 3.084 11.441 1.00 0.00 H new ATOM 0 HA VAL B 11 2.173 3.844 11.761 1.00 0.00 H new ATOM 0 HB VAL B 11 1.460 6.153 12.026 1.00 0.00 H new ATOM 0 HG11 VAL B 11 0.637 6.677 9.717 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.929 5.453 9.710 1.00 0.00 H new ATOM 0 HG13 VAL B 11 0.233 4.958 9.492 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -0.870 6.941 11.657 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.414 5.249 11.575 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.725 5.889 13.085 1.00 0.00 H new ATOM 2023 N ASP B 12 1.634 4.645 14.303 1.00 0.00 N ATOM 2024 CA ASP B 12 1.499 4.672 15.772 1.00 0.00 C ATOM 2025 C ASP B 12 0.781 5.952 16.215 1.00 0.00 C ATOM 2026 O ASP B 12 -0.292 5.889 16.827 1.00 0.00 O ATOM 2027 CB ASP B 12 2.900 4.582 16.432 1.00 0.00 C ATOM 2028 CG ASP B 12 2.874 4.740 17.965 1.00 0.00 C ATOM 2029 OD1 ASP B 12 2.413 3.816 18.659 1.00 0.00 O ATOM 2030 OD2 ASP B 12 3.309 5.791 18.482 1.00 0.00 O ATOM 0 H ASP B 12 2.344 5.286 13.948 1.00 0.00 H new ATOM 0 HA ASP B 12 0.905 3.815 16.090 1.00 0.00 H new ATOM 0 HB2 ASP B 12 3.348 3.620 16.182 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.542 5.353 16.007 1.00 0.00 H new ATOM 2035 N ASN B 13 1.392 7.113 15.906 1.00 0.00 N ATOM 2036 CA ASN B 13 0.881 8.443 16.298 1.00 0.00 C ATOM 2037 C ASN B 13 -0.115 8.957 15.240 1.00 0.00 C ATOM 2038 O ASN B 13 0.309 9.258 14.114 1.00 0.00 O ATOM 2039 CB ASN B 13 2.050 9.460 16.427 1.00 0.00 C ATOM 2040 CG ASN B 13 3.125 9.048 17.429 1.00 0.00 C ATOM 2041 OD1 ASN B 13 3.046 9.381 18.612 1.00 0.00 O ATOM 2042 ND2 ASN B 13 4.140 8.329 16.963 1.00 0.00 N ATOM 0 H ASN B 13 2.261 7.155 15.373 1.00 0.00 H new ATOM 0 HA ASN B 13 0.380 8.346 17.261 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.512 9.593 15.449 1.00 0.00 H new ATOM 0 HB3 ASN B 13 1.645 10.428 16.722 1.00 0.00 H new ATOM 0 HD21 ASN B 13 4.887 8.034 17.592 1.00 0.00 H new ATOM 0 HD22 ASN B 13 4.172 8.071 15.977 1.00 0.00 H new ATOM 2049 N PRO B 14 -1.447 9.050 15.561 1.00 0.00 N ATOM 2050 CA PRO B 14 -2.457 9.560 14.609 1.00 0.00 C ATOM 2051 C PRO B 14 -2.172 11.026 14.135 1.00 0.00 C ATOM 2052 O PRO B 14 -1.819 11.175 12.970 1.00 0.00 O ATOM 2053 CB PRO B 14 -3.822 9.381 15.340 1.00 0.00 C ATOM 2054 CG PRO B 14 -3.531 8.441 16.478 1.00 0.00 C ATOM 2055 CD PRO B 14 -2.077 8.651 16.850 1.00 0.00 C ATOM 0 HA PRO B 14 -2.444 9.008 13.669 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -4.204 10.335 15.703 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -4.578 8.969 14.671 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -4.182 8.647 17.327 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -3.710 7.407 16.183 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -1.964 9.425 17.609 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -1.629 7.742 17.252 1.00 0.00 H new ATOM 2063 N PRO B 15 -2.219 12.123 15.009 1.00 0.00 N ATOM 2064 CA PRO B 15 -2.126 13.530 14.511 1.00 0.00 C ATOM 2065 C PRO B 15 -0.782 13.803 13.820 1.00 0.00 C ATOM 2066 O PRO B 15 -0.724 14.526 12.823 1.00 0.00 O ATOM 2067 CB PRO B 15 -2.294 14.402 15.787 1.00 0.00 C ATOM 2068 CG PRO B 15 -2.903 13.479 16.793 1.00 0.00 C ATOM 2069 CD PRO B 15 -2.309 12.124 16.498 1.00 0.00 C ATOM 0 HA PRO B 15 -2.882 13.747 13.756 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -1.335 14.789 16.132 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -2.936 15.263 15.598 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -2.672 13.797 17.810 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -3.989 13.461 16.704 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -1.331 12.001 16.963 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -2.941 11.316 16.866 1.00 0.00 H new ATOM 2077 N ALA B 16 0.294 13.237 14.389 1.00 0.00 N ATOM 2078 CA ALA B 16 1.661 13.469 13.915 1.00 0.00 C ATOM 2079 C ALA B 16 1.872 12.913 12.506 1.00 0.00 C ATOM 2080 O ALA B 16 2.471 13.590 11.658 1.00 0.00 O ATOM 2081 CB ALA B 16 2.680 12.874 14.893 1.00 0.00 C ATOM 0 H ALA B 16 0.237 12.607 15.189 1.00 0.00 H new ATOM 0 HA ALA B 16 1.815 14.547 13.867 1.00 0.00 H new ATOM 0 HB1 ALA B 16 3.689 13.057 14.523 1.00 0.00 H new ATOM 0 HB2 ALA B 16 2.562 13.341 15.871 1.00 0.00 H new ATOM 0 HB3 ALA B 16 2.515 11.800 14.982 1.00 0.00 H new ATOM 2087 N SER B 17 1.331 11.707 12.239 1.00 0.00 N ATOM 2088 CA SER B 17 1.374 11.119 10.890 1.00 0.00 C ATOM 2089 C SER B 17 0.437 11.912 9.957 1.00 0.00 C ATOM 2090 O SER B 17 0.741 12.070 8.776 1.00 0.00 O ATOM 2091 CB SER B 17 0.978 9.621 10.919 1.00 0.00 C ATOM 2092 OG SER B 17 1.919 8.849 11.657 1.00 0.00 O ATOM 0 H SER B 17 0.863 11.127 12.936 1.00 0.00 H new ATOM 0 HA SER B 17 2.395 11.180 10.513 1.00 0.00 H new ATOM 0 HB2 SER B 17 -0.011 9.513 11.363 1.00 0.00 H new ATOM 0 HB3 SER B 17 0.913 9.241 9.900 1.00 0.00 H new ATOM 0 HG SER B 17 2.375 8.226 11.054 1.00 0.00 H new ATOM 2098 N THR B 18 -0.704 12.397 10.497 1.00 0.00 N ATOM 2099 CA THR B 18 -1.721 13.130 9.723 1.00 0.00 C ATOM 2100 C THR B 18 -1.225 14.399 9.014 1.00 0.00 C ATOM 2101 O THR B 18 -1.335 14.528 7.797 1.00 0.00 O ATOM 2102 CB THR B 18 -2.952 13.514 10.614 1.00 0.00 C ATOM 2103 OG1 THR B 18 -3.464 12.349 11.263 1.00 0.00 O ATOM 2104 CG2 THR B 18 -4.083 14.191 9.804 1.00 0.00 C ATOM 0 H THR B 18 -0.942 12.289 11.483 1.00 0.00 H new ATOM 0 HA THR B 18 -2.002 12.422 8.943 1.00 0.00 H new ATOM 0 HB THR B 18 -2.600 14.235 11.352 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.880 12.109 12.012 1.00 0.00 H new ATOM 0 HG21 THR B 18 -4.911 14.436 10.470 1.00 0.00 H new ATOM 0 HG22 THR B 18 -3.705 15.104 9.344 1.00 0.00 H new ATOM 0 HG23 THR B 18 -4.431 13.511 9.027 1.00 0.00 H new ATOM 2112 N GLN B 19 -0.602 15.284 9.834 1.00 0.00 N ATOM 2113 CA GLN B 19 -0.035 16.575 9.383 1.00 0.00 C ATOM 2114 C GLN B 19 1.168 16.305 8.477 1.00 0.00 C ATOM 2115 O GLN B 19 1.395 17.015 7.476 1.00 0.00 O ATOM 2116 CB GLN B 19 0.416 17.440 10.588 1.00 0.00 C ATOM 2117 CG GLN B 19 -0.622 17.599 11.707 1.00 0.00 C ATOM 2118 CD GLN B 19 -0.161 18.566 12.799 1.00 0.00 C ATOM 2119 OE1 GLN B 19 0.439 18.161 13.794 1.00 0.00 O ATOM 2120 NE2 GLN B 19 -0.399 19.853 12.597 1.00 0.00 N ATOM 0 H GLN B 19 -0.480 15.118 10.833 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.806 17.120 8.839 1.00 0.00 H new ATOM 0 HB2 GLN B 19 1.319 17.000 11.012 1.00 0.00 H new ATOM 0 HB3 GLN B 19 0.686 18.431 10.222 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -1.559 17.957 11.281 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -0.825 16.625 12.151 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -0.899 20.154 11.761 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -0.082 20.543 13.278 1.00 0.00 H new ATOM 2129 N PHE B 20 1.925 15.258 8.855 1.00 0.00 N ATOM 2130 CA PHE B 20 3.099 14.817 8.115 1.00 0.00 C ATOM 2131 C PHE B 20 2.700 14.428 6.682 1.00 0.00 C ATOM 2132 O PHE B 20 3.348 14.865 5.744 1.00 0.00 O ATOM 2133 CB PHE B 20 3.769 13.618 8.837 1.00 0.00 C ATOM 2134 CG PHE B 20 5.002 13.064 8.136 1.00 0.00 C ATOM 2135 CD1 PHE B 20 6.170 13.815 8.066 1.00 0.00 C ATOM 2136 CD2 PHE B 20 4.985 11.810 7.525 1.00 0.00 C ATOM 2137 CE1 PHE B 20 7.280 13.329 7.415 1.00 0.00 C ATOM 2138 CE2 PHE B 20 6.091 11.328 6.871 1.00 0.00 C ATOM 2139 CZ PHE B 20 7.240 12.088 6.813 1.00 0.00 C ATOM 0 H PHE B 20 1.730 14.699 9.686 1.00 0.00 H new ATOM 0 HA PHE B 20 3.817 15.636 8.068 1.00 0.00 H new ATOM 0 HB2 PHE B 20 4.048 13.927 9.844 1.00 0.00 H new ATOM 0 HB3 PHE B 20 3.036 12.818 8.941 1.00 0.00 H new ATOM 0 HD1 PHE B 20 6.206 14.791 8.528 1.00 0.00 H new ATOM 0 HD2 PHE B 20 4.088 11.210 7.567 1.00 0.00 H new ATOM 0 HE1 PHE B 20 8.184 13.919 7.375 1.00 0.00 H new ATOM 0 HE2 PHE B 20 6.061 10.355 6.403 1.00 0.00 H new ATOM 0 HZ PHE B 20 8.110 11.711 6.296 1.00 0.00 H new ATOM 2149 N TYR B 21 1.578 13.684 6.537 1.00 0.00 N ATOM 2150 CA TYR B 21 1.026 13.294 5.219 1.00 0.00 C ATOM 2151 C TYR B 21 0.382 14.495 4.522 1.00 0.00 C ATOM 2152 O TYR B 21 0.332 14.509 3.293 1.00 0.00 O ATOM 2153 CB TYR B 21 0.059 12.078 5.354 1.00 0.00 C ATOM 2154 CG TYR B 21 0.809 10.735 5.403 1.00 0.00 C ATOM 2155 CD1 TYR B 21 1.823 10.529 6.330 1.00 0.00 C ATOM 2156 CD2 TYR B 21 0.545 9.703 4.499 1.00 0.00 C ATOM 2157 CE1 TYR B 21 2.546 9.367 6.357 1.00 0.00 C ATOM 2158 CE2 TYR B 21 1.266 8.525 4.534 1.00 0.00 C ATOM 2159 CZ TYR B 21 2.270 8.368 5.465 1.00 0.00 C ATOM 2160 OH TYR B 21 3.014 7.211 5.497 1.00 0.00 O ATOM 0 H TYR B 21 1.033 13.339 7.327 1.00 0.00 H new ATOM 0 HA TYR B 21 1.845 12.965 4.580 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -0.538 12.191 6.259 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -0.634 12.073 4.513 1.00 0.00 H new ATOM 0 HD1 TYR B 21 2.046 11.305 7.047 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -0.234 9.828 3.762 1.00 0.00 H new ATOM 0 HE1 TYR B 21 3.335 9.239 7.083 1.00 0.00 H new ATOM 0 HE2 TYR B 21 1.044 7.732 3.836 1.00 0.00 H new ATOM 0 HH TYR B 21 2.833 6.729 6.331 1.00 0.00 H new ATOM 2170 N LYS B 22 -0.129 15.488 5.274 1.00 0.00 N ATOM 2171 CA LYS B 22 -0.780 16.663 4.657 1.00 0.00 C ATOM 2172 C LYS B 22 0.154 17.386 3.674 1.00 0.00 C ATOM 2173 O LYS B 22 -0.210 17.622 2.518 1.00 0.00 O ATOM 2174 CB LYS B 22 -1.356 17.629 5.727 1.00 0.00 C ATOM 2175 CG LYS B 22 -2.594 17.064 6.458 1.00 0.00 C ATOM 2176 CD LYS B 22 -3.158 18.019 7.531 1.00 0.00 C ATOM 2177 CE LYS B 22 -3.772 19.297 6.935 1.00 0.00 C ATOM 2178 NZ LYS B 22 -4.300 20.209 7.982 1.00 0.00 N ATOM 0 H LYS B 22 -0.106 15.503 6.294 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.624 16.292 4.075 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -0.581 17.852 6.460 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -1.624 18.571 5.249 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -3.373 16.850 5.726 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -2.329 16.117 6.928 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -3.916 17.495 8.113 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.360 18.293 8.221 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -3.018 19.820 6.347 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -4.577 19.026 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -4.704 21.056 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -5.039 19.721 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.528 20.490 8.619 1.00 0.00 H new ATOM 2192 N ALA B 23 1.374 17.689 4.141 1.00 0.00 N ATOM 2193 CA ALA B 23 2.422 18.308 3.289 1.00 0.00 C ATOM 2194 C ALA B 23 3.102 17.269 2.358 1.00 0.00 C ATOM 2195 O ALA B 23 3.480 17.593 1.232 1.00 0.00 O ATOM 2196 CB ALA B 23 3.470 19.017 4.163 1.00 0.00 C ATOM 0 H ALA B 23 1.668 17.519 5.103 1.00 0.00 H new ATOM 0 HA ALA B 23 1.934 19.044 2.651 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.232 19.466 3.526 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.986 19.795 4.753 1.00 0.00 H new ATOM 0 HB3 ALA B 23 3.937 18.293 4.831 1.00 0.00 H new ATOM 2202 N LEU B 24 3.251 16.029 2.859 1.00 0.00 N ATOM 2203 CA LEU B 24 3.975 14.920 2.172 1.00 0.00 C ATOM 2204 C LEU B 24 3.325 14.547 0.825 1.00 0.00 C ATOM 2205 O LEU B 24 3.986 14.550 -0.226 1.00 0.00 O ATOM 2206 CB LEU B 24 3.945 13.672 3.099 1.00 0.00 C ATOM 2207 CG LEU B 24 4.813 12.448 2.708 1.00 0.00 C ATOM 2208 CD1 LEU B 24 6.301 12.746 2.939 1.00 0.00 C ATOM 2209 CD2 LEU B 24 4.365 11.177 3.472 1.00 0.00 C ATOM 0 H LEU B 24 2.870 15.756 3.765 1.00 0.00 H new ATOM 0 HA LEU B 24 4.994 15.251 1.971 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.249 13.991 4.096 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.910 13.337 3.173 1.00 0.00 H new ATOM 0 HG LEU B 24 4.670 12.255 1.645 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.894 11.875 2.659 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.600 13.600 2.331 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.467 12.975 3.992 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.992 10.335 3.177 1.00 0.00 H new ATOM 0 HD22 LEU B 24 4.463 11.344 4.545 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.325 10.956 3.232 1.00 0.00 H new ATOM 2221 N LEU B 25 2.017 14.269 0.887 1.00 0.00 N ATOM 2222 CA LEU B 25 1.184 13.989 -0.289 1.00 0.00 C ATOM 2223 C LEU B 25 0.886 15.335 -0.981 1.00 0.00 C ATOM 2224 O LEU B 25 1.124 15.501 -2.179 1.00 0.00 O ATOM 2225 CB LEU B 25 -0.132 13.272 0.151 1.00 0.00 C ATOM 2226 CG LEU B 25 0.021 12.171 1.263 1.00 0.00 C ATOM 2227 CD1 LEU B 25 -1.354 11.633 1.717 1.00 0.00 C ATOM 2228 CD2 LEU B 25 0.950 11.028 0.826 1.00 0.00 C ATOM 0 H LEU B 25 1.501 14.232 1.766 1.00 0.00 H new ATOM 0 HA LEU B 25 1.698 13.326 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.831 14.027 0.509 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.583 12.812 -0.728 1.00 0.00 H new ATOM 0 HG LEU B 25 0.491 12.653 2.120 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.212 10.874 2.486 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.950 12.452 2.121 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.872 11.193 0.865 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.024 10.293 1.627 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.546 10.552 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.940 11.427 0.608 1.00 0.00 H new ATOM 2240 N GLY B 26 0.401 16.306 -0.177 1.00 0.00 N ATOM 2241 CA GLY B 26 -0.029 17.621 -0.675 1.00 0.00 C ATOM 2242 C GLY B 26 -1.548 17.780 -0.650 1.00 0.00 C ATOM 2243 O GLY B 26 -2.111 18.568 -1.418 1.00 0.00 O ATOM 0 H GLY B 26 0.299 16.196 0.832 1.00 0.00 H new ATOM 0 HA2 GLY B 26 0.426 18.404 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY B 26 0.332 17.757 -1.694 1.00 0.00 H new ATOM 2247 N VAL B 27 -2.209 17.018 0.244 1.00 0.00 N ATOM 2248 CA VAL B 27 -3.686 17.007 0.405 1.00 0.00 C ATOM 2249 C VAL B 27 -4.058 17.165 1.896 1.00 0.00 C ATOM 2250 O VAL B 27 -3.180 17.227 2.755 1.00 0.00 O ATOM 2251 CB VAL B 27 -4.326 15.675 -0.162 1.00 0.00 C ATOM 2252 CG1 VAL B 27 -4.161 15.560 -1.696 1.00 0.00 C ATOM 2253 CG2 VAL B 27 -3.745 14.429 0.550 1.00 0.00 C ATOM 0 H VAL B 27 -1.731 16.384 0.884 1.00 0.00 H new ATOM 0 HA VAL B 27 -4.086 17.845 -0.166 1.00 0.00 H new ATOM 0 HB VAL B 27 -5.395 15.720 0.047 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -4.615 14.631 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -4.651 16.405 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -3.101 15.562 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -4.203 13.529 0.140 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -2.667 14.391 0.394 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -3.955 14.489 1.618 1.00 0.00 H new ATOM 2263 N ASP B 28 -5.362 17.252 2.191 1.00 0.00 N ATOM 2264 CA ASP B 28 -5.890 17.294 3.577 1.00 0.00 C ATOM 2265 C ASP B 28 -6.737 16.033 3.833 1.00 0.00 C ATOM 2266 O ASP B 28 -7.214 15.422 2.874 1.00 0.00 O ATOM 2267 CB ASP B 28 -6.734 18.583 3.794 1.00 0.00 C ATOM 2268 CG ASP B 28 -7.996 18.644 2.910 1.00 0.00 C ATOM 2269 OD1 ASP B 28 -7.887 19.045 1.733 1.00 0.00 O ATOM 2270 OD2 ASP B 28 -9.099 18.301 3.391 1.00 0.00 O ATOM 0 H ASP B 28 -6.090 17.296 1.478 1.00 0.00 H new ATOM 0 HA ASP B 28 -5.061 17.315 4.284 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -7.030 18.643 4.841 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.112 19.454 3.588 1.00 0.00 H new ATOM 2275 N PRO B 29 -6.916 15.586 5.119 1.00 0.00 N ATOM 2276 CA PRO B 29 -7.810 14.458 5.426 1.00 0.00 C ATOM 2277 C PRO B 29 -9.287 14.889 5.304 1.00 0.00 C ATOM 2278 O PRO B 29 -9.758 15.738 6.073 1.00 0.00 O ATOM 2279 CB PRO B 29 -7.419 14.063 6.872 1.00 0.00 C ATOM 2280 CG PRO B 29 -6.895 15.332 7.483 1.00 0.00 C ATOM 2281 CD PRO B 29 -6.262 16.120 6.347 1.00 0.00 C ATOM 0 HA PRO B 29 -7.707 13.618 4.740 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -8.278 13.682 7.425 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.662 13.278 6.878 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -7.699 15.900 7.950 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -6.164 15.116 8.262 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -6.438 17.190 6.458 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -5.182 15.976 6.317 1.00 0.00 H new ATOM 2289 N VAL B 30 -9.992 14.332 4.299 1.00 0.00 N ATOM 2290 CA VAL B 30 -11.423 14.614 4.073 1.00 0.00 C ATOM 2291 C VAL B 30 -12.265 14.102 5.267 1.00 0.00 C ATOM 2292 O VAL B 30 -13.221 14.761 5.699 1.00 0.00 O ATOM 2293 CB VAL B 30 -11.926 14.005 2.711 1.00 0.00 C ATOM 2294 CG1 VAL B 30 -11.706 12.475 2.641 1.00 0.00 C ATOM 2295 CG2 VAL B 30 -13.406 14.385 2.437 1.00 0.00 C ATOM 0 H VAL B 30 -9.589 13.679 3.626 1.00 0.00 H new ATOM 0 HA VAL B 30 -11.549 15.694 4.002 1.00 0.00 H new ATOM 0 HB VAL B 30 -11.320 14.445 1.919 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -12.068 12.099 1.684 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -10.643 12.255 2.739 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -12.252 11.991 3.451 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -13.724 13.950 1.490 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -14.035 14.003 3.241 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -13.500 15.470 2.388 1.00 0.00 H new ATOM 2305 N GLU B 31 -11.862 12.946 5.816 1.00 0.00 N ATOM 2306 CA GLU B 31 -12.397 12.402 7.074 1.00 0.00 C ATOM 2307 C GLU B 31 -11.280 12.468 8.120 1.00 0.00 C ATOM 2308 O GLU B 31 -10.137 12.096 7.827 1.00 0.00 O ATOM 2309 CB GLU B 31 -12.869 10.936 6.877 1.00 0.00 C ATOM 2310 CG GLU B 31 -13.974 10.745 5.819 1.00 0.00 C ATOM 2311 CD GLU B 31 -15.323 11.359 6.228 1.00 0.00 C ATOM 2312 OE1 GLU B 31 -16.135 10.657 6.859 1.00 0.00 O ATOM 2313 OE2 GLU B 31 -15.580 12.544 5.929 1.00 0.00 O ATOM 0 H GLU B 31 -11.146 12.355 5.393 1.00 0.00 H new ATOM 0 HA GLU B 31 -13.259 12.983 7.401 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -12.009 10.328 6.597 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -13.231 10.555 7.832 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -13.649 11.193 4.880 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -14.109 9.679 5.634 1.00 0.00 H new ATOM 2320 N SER B 32 -11.603 12.933 9.331 1.00 0.00 N ATOM 2321 CA SER B 32 -10.612 13.143 10.394 1.00 0.00 C ATOM 2322 C SER B 32 -11.210 12.790 11.767 1.00 0.00 C ATOM 2323 O SER B 32 -12.332 13.190 12.097 1.00 0.00 O ATOM 2324 CB SER B 32 -10.104 14.606 10.356 1.00 0.00 C ATOM 2325 OG SER B 32 -11.173 15.532 10.412 1.00 0.00 O ATOM 0 H SER B 32 -12.556 13.174 9.603 1.00 0.00 H new ATOM 0 HA SER B 32 -9.762 12.482 10.228 1.00 0.00 H new ATOM 0 HB2 SER B 32 -9.428 14.779 11.194 1.00 0.00 H new ATOM 0 HB3 SER B 32 -9.529 14.768 9.444 1.00 0.00 H new ATOM 0 HG SER B 32 -10.817 16.445 10.388 1.00 0.00 H new ATOM 2331 N SER B 33 -10.440 12.012 12.536 1.00 0.00 N ATOM 2332 CA SER B 33 -10.767 11.567 13.901 1.00 0.00 C ATOM 2333 C SER B 33 -9.458 11.537 14.724 1.00 0.00 C ATOM 2334 O SER B 33 -8.379 11.384 14.140 1.00 0.00 O ATOM 2335 CB SER B 33 -11.425 10.165 13.857 1.00 0.00 C ATOM 2336 OG SER B 33 -12.664 10.203 13.179 1.00 0.00 O ATOM 0 H SER B 33 -9.538 11.660 12.215 1.00 0.00 H new ATOM 0 HA SER B 33 -11.476 12.252 14.367 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.757 9.462 13.359 1.00 0.00 H new ATOM 0 HB3 SER B 33 -11.574 9.798 14.873 1.00 0.00 H new ATOM 0 HG SER B 33 -12.870 9.313 12.824 1.00 0.00 H new ATOM 2342 N PRO B 34 -9.512 11.639 16.098 1.00 0.00 N ATOM 2343 CA PRO B 34 -8.287 11.726 16.945 1.00 0.00 C ATOM 2344 C PRO B 34 -7.410 10.445 16.902 1.00 0.00 C ATOM 2345 O PRO B 34 -6.291 10.444 17.424 1.00 0.00 O ATOM 2346 CB PRO B 34 -8.855 11.991 18.365 1.00 0.00 C ATOM 2347 CG PRO B 34 -10.230 11.398 18.332 1.00 0.00 C ATOM 2348 CD PRO B 34 -10.747 11.666 16.937 1.00 0.00 C ATOM 0 HA PRO B 34 -7.608 12.504 16.596 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -8.239 11.524 19.133 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -8.887 13.058 18.588 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -10.202 10.329 18.542 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -10.873 11.854 19.084 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -11.463 10.908 16.622 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -11.254 12.629 16.875 1.00 0.00 H new ATOM 2356 N THR B 35 -7.927 9.352 16.293 1.00 0.00 N ATOM 2357 CA THR B 35 -7.206 8.068 16.215 1.00 0.00 C ATOM 2358 C THR B 35 -7.089 7.522 14.760 1.00 0.00 C ATOM 2359 O THR B 35 -6.457 6.474 14.541 1.00 0.00 O ATOM 2360 CB THR B 35 -7.875 7.018 17.160 1.00 0.00 C ATOM 2361 OG1 THR B 35 -7.003 5.900 17.353 1.00 0.00 O ATOM 2362 CG2 THR B 35 -9.244 6.534 16.635 1.00 0.00 C ATOM 0 H THR B 35 -8.845 9.338 15.848 1.00 0.00 H new ATOM 0 HA THR B 35 -6.185 8.252 16.550 1.00 0.00 H new ATOM 0 HB THR B 35 -8.052 7.516 18.113 1.00 0.00 H new ATOM 0 HG1 THR B 35 -6.360 5.856 16.615 1.00 0.00 H new ATOM 0 HG21 THR B 35 -9.664 5.806 17.330 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.921 7.384 16.547 1.00 0.00 H new ATOM 0 HG23 THR B 35 -9.115 6.070 15.657 1.00 0.00 H new ATOM 2370 N PHE B 36 -7.652 8.246 13.767 1.00 0.00 N ATOM 2371 CA PHE B 36 -7.671 7.782 12.356 1.00 0.00 C ATOM 2372 C PHE B 36 -7.852 8.983 11.414 1.00 0.00 C ATOM 2373 O PHE B 36 -8.607 9.907 11.717 1.00 0.00 O ATOM 2374 CB PHE B 36 -8.812 6.734 12.135 1.00 0.00 C ATOM 2375 CG PHE B 36 -8.821 6.027 10.760 1.00 0.00 C ATOM 2376 CD1 PHE B 36 -9.419 6.614 9.642 1.00 0.00 C ATOM 2377 CD2 PHE B 36 -8.242 4.770 10.598 1.00 0.00 C ATOM 2378 CE1 PHE B 36 -9.440 5.971 8.417 1.00 0.00 C ATOM 2379 CE2 PHE B 36 -8.264 4.126 9.371 1.00 0.00 C ATOM 2380 CZ PHE B 36 -8.858 4.728 8.281 1.00 0.00 C ATOM 0 H PHE B 36 -8.099 9.151 13.913 1.00 0.00 H new ATOM 0 HA PHE B 36 -6.720 7.298 12.133 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -8.737 5.974 12.912 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -9.771 7.235 12.271 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -9.874 7.589 9.736 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -7.769 4.290 11.442 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -9.912 6.442 7.568 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -7.815 3.149 9.268 1.00 0.00 H new ATOM 0 HZ PHE B 36 -8.867 4.227 7.324 1.00 0.00 H new ATOM 2390 N SER B 37 -7.169 8.950 10.260 1.00 0.00 N ATOM 2391 CA SER B 37 -7.312 9.970 9.205 1.00 0.00 C ATOM 2392 C SER B 37 -7.512 9.296 7.848 1.00 0.00 C ATOM 2393 O SER B 37 -6.961 8.220 7.595 1.00 0.00 O ATOM 2394 CB SER B 37 -6.072 10.873 9.170 1.00 0.00 C ATOM 2395 OG SER B 37 -5.852 11.455 10.435 1.00 0.00 O ATOM 0 H SER B 37 -6.500 8.215 10.030 1.00 0.00 H new ATOM 0 HA SER B 37 -8.185 10.584 9.425 1.00 0.00 H new ATOM 0 HB2 SER B 37 -5.199 10.291 8.873 1.00 0.00 H new ATOM 0 HB3 SER B 37 -6.204 11.654 8.421 1.00 0.00 H new ATOM 0 HG SER B 37 -4.888 11.529 10.598 1.00 0.00 H new ATOM 2401 N LEU B 38 -8.297 9.939 6.980 1.00 0.00 N ATOM 2402 CA LEU B 38 -8.609 9.430 5.646 1.00 0.00 C ATOM 2403 C LEU B 38 -8.449 10.582 4.636 1.00 0.00 C ATOM 2404 O LEU B 38 -9.136 11.597 4.726 1.00 0.00 O ATOM 2405 CB LEU B 38 -10.030 8.790 5.661 1.00 0.00 C ATOM 2406 CG LEU B 38 -10.558 8.111 4.350 1.00 0.00 C ATOM 2407 CD1 LEU B 38 -11.353 9.086 3.476 1.00 0.00 C ATOM 2408 CD2 LEU B 38 -9.420 7.464 3.542 1.00 0.00 C ATOM 0 H LEU B 38 -8.737 10.836 7.187 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.924 8.640 5.339 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -10.048 8.041 6.453 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -10.741 9.567 5.941 1.00 0.00 H new ATOM 0 HG LEU B 38 -11.238 7.320 4.667 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -11.699 8.572 2.579 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -12.212 9.458 4.035 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -10.715 9.923 3.191 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.828 7.005 2.642 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.693 8.227 3.263 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -8.931 6.701 4.148 1.00 0.00 H new ATOM 2420 N PHE B 39 -7.540 10.374 3.680 1.00 0.00 N ATOM 2421 CA PHE B 39 -7.298 11.249 2.521 1.00 0.00 C ATOM 2422 C PHE B 39 -7.849 10.513 1.279 1.00 0.00 C ATOM 2423 O PHE B 39 -7.720 9.293 1.179 1.00 0.00 O ATOM 2424 CB PHE B 39 -5.761 11.495 2.334 1.00 0.00 C ATOM 2425 CG PHE B 39 -4.994 11.898 3.600 1.00 0.00 C ATOM 2426 CD1 PHE B 39 -4.667 10.945 4.563 1.00 0.00 C ATOM 2427 CD2 PHE B 39 -4.596 13.215 3.826 1.00 0.00 C ATOM 2428 CE1 PHE B 39 -3.979 11.296 5.703 1.00 0.00 C ATOM 2429 CE2 PHE B 39 -3.901 13.564 4.968 1.00 0.00 C ATOM 2430 CZ PHE B 39 -3.596 12.606 5.908 1.00 0.00 C ATOM 0 H PHE B 39 -6.926 9.560 3.689 1.00 0.00 H new ATOM 0 HA PHE B 39 -7.783 12.214 2.664 1.00 0.00 H new ATOM 0 HB2 PHE B 39 -5.312 10.586 1.933 1.00 0.00 H new ATOM 0 HB3 PHE B 39 -5.625 12.275 1.585 1.00 0.00 H new ATOM 0 HD1 PHE B 39 -4.958 9.916 4.413 1.00 0.00 H new ATOM 0 HD2 PHE B 39 -4.835 13.975 3.097 1.00 0.00 H new ATOM 0 HE1 PHE B 39 -3.738 10.543 6.439 1.00 0.00 H new ATOM 0 HE2 PHE B 39 -3.597 14.589 5.123 1.00 0.00 H new ATOM 0 HZ PHE B 39 -3.058 12.879 6.804 1.00 0.00 H new ATOM 2440 N VAL B 40 -8.484 11.243 0.349 1.00 0.00 N ATOM 2441 CA VAL B 40 -8.844 10.722 -0.986 1.00 0.00 C ATOM 2442 C VAL B 40 -8.236 11.652 -2.040 1.00 0.00 C ATOM 2443 O VAL B 40 -8.444 12.868 -1.988 1.00 0.00 O ATOM 2444 CB VAL B 40 -10.406 10.628 -1.217 1.00 0.00 C ATOM 2445 CG1 VAL B 40 -10.733 9.929 -2.567 1.00 0.00 C ATOM 2446 CG2 VAL B 40 -11.109 9.918 -0.040 1.00 0.00 C ATOM 0 H VAL B 40 -8.764 12.212 0.498 1.00 0.00 H new ATOM 0 HA VAL B 40 -8.453 9.707 -1.064 1.00 0.00 H new ATOM 0 HB VAL B 40 -10.792 11.646 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -11.814 9.879 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -10.294 10.497 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -10.321 8.920 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -12.181 9.871 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -10.714 8.907 0.064 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -10.929 10.474 0.880 1.00 0.00 H new ATOM 2456 N LEU B 41 -7.474 11.080 -2.977 1.00 0.00 N ATOM 2457 CA LEU B 41 -6.690 11.852 -3.960 1.00 0.00 C ATOM 2458 C LEU B 41 -7.439 11.905 -5.300 1.00 0.00 C ATOM 2459 O LEU B 41 -8.139 10.950 -5.667 1.00 0.00 O ATOM 2460 CB LEU B 41 -5.258 11.247 -4.147 1.00 0.00 C ATOM 2461 CG LEU B 41 -4.205 11.542 -3.014 1.00 0.00 C ATOM 2462 CD1 LEU B 41 -4.597 10.916 -1.654 1.00 0.00 C ATOM 2463 CD2 LEU B 41 -2.781 11.099 -3.445 1.00 0.00 C ATOM 0 H LEU B 41 -7.380 10.070 -3.080 1.00 0.00 H new ATOM 0 HA LEU B 41 -6.569 12.867 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -5.357 10.166 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -4.854 11.617 -5.090 1.00 0.00 H new ATOM 0 HG LEU B 41 -4.199 12.622 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.835 11.152 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -5.556 11.320 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.677 9.834 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -2.075 11.315 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.780 10.029 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -2.487 11.642 -4.343 1.00 0.00 H new ATOM 2475 N ALA B 42 -7.238 13.014 -6.039 1.00 0.00 N ATOM 2476 CA ALA B 42 -7.847 13.243 -7.372 1.00 0.00 C ATOM 2477 C ALA B 42 -7.247 12.312 -8.453 1.00 0.00 C ATOM 2478 O ALA B 42 -7.711 12.291 -9.598 1.00 0.00 O ATOM 2479 CB ALA B 42 -7.671 14.719 -7.768 1.00 0.00 C ATOM 0 H ALA B 42 -6.645 13.784 -5.729 1.00 0.00 H new ATOM 0 HA ALA B 42 -8.909 13.006 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -8.118 14.889 -8.747 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -8.161 15.355 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -6.609 14.961 -7.807 1.00 0.00 H new ATOM 2485 N ASN B 43 -6.204 11.555 -8.066 1.00 0.00 N ATOM 2486 CA ASN B 43 -5.538 10.563 -8.928 1.00 0.00 C ATOM 2487 C ASN B 43 -6.450 9.355 -9.232 1.00 0.00 C ATOM 2488 O ASN B 43 -6.237 8.657 -10.229 1.00 0.00 O ATOM 2489 CB ASN B 43 -4.225 10.067 -8.258 1.00 0.00 C ATOM 2490 CG ASN B 43 -3.170 11.165 -8.049 1.00 0.00 C ATOM 2491 OD1 ASN B 43 -3.496 12.309 -7.732 1.00 0.00 O ATOM 2492 ND2 ASN B 43 -1.897 10.820 -8.234 1.00 0.00 N ATOM 0 H ASN B 43 -5.795 11.616 -7.133 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.309 11.057 -9.872 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.468 9.624 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.793 9.276 -8.872 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.158 11.513 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -1.661 9.863 -8.496 1.00 0.00 H new ATOM 2499 N GLY B 44 -7.467 9.127 -8.377 1.00 0.00 N ATOM 2500 CA GLY B 44 -8.325 7.937 -8.475 1.00 0.00 C ATOM 2501 C GLY B 44 -7.977 6.890 -7.423 1.00 0.00 C ATOM 2502 O GLY B 44 -8.336 5.715 -7.558 1.00 0.00 O ATOM 0 H GLY B 44 -7.712 9.754 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -9.368 8.232 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -8.225 7.499 -9.468 1.00 0.00 H new ATOM 2506 N MET B 45 -7.251 7.319 -6.375 1.00 0.00 N ATOM 2507 CA MET B 45 -6.802 6.443 -5.278 1.00 0.00 C ATOM 2508 C MET B 45 -7.295 6.994 -3.928 1.00 0.00 C ATOM 2509 O MET B 45 -7.876 8.091 -3.863 1.00 0.00 O ATOM 2510 CB MET B 45 -5.248 6.317 -5.315 1.00 0.00 C ATOM 2511 CG MET B 45 -4.470 7.591 -4.914 1.00 0.00 C ATOM 2512 SD MET B 45 -4.318 7.803 -3.122 1.00 0.00 S ATOM 2513 CE MET B 45 -3.335 6.372 -2.661 1.00 0.00 C ATOM 0 H MET B 45 -6.958 8.290 -6.265 1.00 0.00 H new ATOM 0 HA MET B 45 -7.227 5.447 -5.403 1.00 0.00 H new ATOM 0 HB2 MET B 45 -4.950 5.506 -4.651 1.00 0.00 H new ATOM 0 HB3 MET B 45 -4.948 6.030 -6.323 1.00 0.00 H new ATOM 0 HG2 MET B 45 -3.474 7.554 -5.354 1.00 0.00 H new ATOM 0 HG3 MET B 45 -4.972 8.462 -5.335 1.00 0.00 H new ATOM 0 HE1 MET B 45 -2.828 6.568 -1.716 1.00 0.00 H new ATOM 0 HE2 MET B 45 -3.985 5.504 -2.551 1.00 0.00 H new ATOM 0 HE3 MET B 45 -2.594 6.175 -3.436 1.00 0.00 H new ATOM 2523 N LYS B 46 -7.045 6.230 -2.859 1.00 0.00 N ATOM 2524 CA LYS B 46 -7.514 6.552 -1.506 1.00 0.00 C ATOM 2525 C LYS B 46 -6.447 6.084 -0.492 1.00 0.00 C ATOM 2526 O LYS B 46 -5.849 5.019 -0.675 1.00 0.00 O ATOM 2527 CB LYS B 46 -8.885 5.860 -1.292 1.00 0.00 C ATOM 2528 CG LYS B 46 -9.681 6.342 -0.074 1.00 0.00 C ATOM 2529 CD LYS B 46 -11.092 5.708 -0.018 1.00 0.00 C ATOM 2530 CE LYS B 46 -11.992 6.351 1.040 1.00 0.00 C ATOM 2531 NZ LYS B 46 -13.367 5.826 0.984 1.00 0.00 N ATOM 0 H LYS B 46 -6.508 5.364 -2.908 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.654 7.624 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -9.492 6.011 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.720 4.787 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.136 6.095 0.837 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -9.772 7.428 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -11.565 5.801 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -10.998 4.642 0.191 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -11.574 6.170 2.030 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -12.010 7.431 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -14.017 6.508 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -13.641 5.676 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -13.415 4.922 1.497 1.00 0.00 H new ATOM 2545 N LEU B 47 -6.210 6.886 0.559 1.00 0.00 N ATOM 2546 CA LEU B 47 -5.071 6.692 1.484 1.00 0.00 C ATOM 2547 C LEU B 47 -5.528 6.911 2.946 1.00 0.00 C ATOM 2548 O LEU B 47 -6.006 7.981 3.291 1.00 0.00 O ATOM 2549 CB LEU B 47 -3.911 7.662 1.070 1.00 0.00 C ATOM 2550 CG LEU B 47 -2.461 7.300 1.563 1.00 0.00 C ATOM 2551 CD1 LEU B 47 -1.396 7.994 0.687 1.00 0.00 C ATOM 2552 CD2 LEU B 47 -2.238 7.647 3.059 1.00 0.00 C ATOM 0 H LEU B 47 -6.798 7.686 0.795 1.00 0.00 H new ATOM 0 HA LEU B 47 -4.698 5.670 1.420 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -3.893 7.722 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -4.155 8.658 1.440 1.00 0.00 H new ATOM 0 HG LEU B 47 -2.356 6.220 1.463 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -0.401 7.730 1.046 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.507 7.668 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -1.527 9.075 0.743 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -1.222 7.377 3.348 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -2.386 8.716 3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -2.949 7.092 3.671 1.00 0.00 H new ATOM 2564 N GLY B 48 -5.359 5.874 3.789 1.00 0.00 N ATOM 2565 CA GLY B 48 -5.695 5.921 5.217 1.00 0.00 C ATOM 2566 C GLY B 48 -4.456 6.053 6.090 1.00 0.00 C ATOM 2567 O GLY B 48 -3.328 5.812 5.642 1.00 0.00 O ATOM 0 H GLY B 48 -4.982 4.974 3.491 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -6.362 6.762 5.405 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -6.237 5.016 5.492 1.00 0.00 H new ATOM 2571 N LEU B 49 -4.697 6.387 7.365 1.00 0.00 N ATOM 2572 CA LEU B 49 -3.713 6.306 8.451 1.00 0.00 C ATOM 2573 C LEU B 49 -4.423 5.653 9.642 1.00 0.00 C ATOM 2574 O LEU B 49 -5.272 6.287 10.281 1.00 0.00 O ATOM 2575 CB LEU B 49 -3.169 7.714 8.833 1.00 0.00 C ATOM 2576 CG LEU B 49 -2.301 8.431 7.752 1.00 0.00 C ATOM 2577 CD1 LEU B 49 -1.904 9.841 8.209 1.00 0.00 C ATOM 2578 CD2 LEU B 49 -1.055 7.598 7.384 1.00 0.00 C ATOM 0 H LEU B 49 -5.606 6.730 7.677 1.00 0.00 H new ATOM 0 HA LEU B 49 -2.849 5.719 8.140 1.00 0.00 H new ATOM 0 HB2 LEU B 49 -4.017 8.356 9.073 1.00 0.00 H new ATOM 0 HB3 LEU B 49 -2.575 7.617 9.742 1.00 0.00 H new ATOM 0 HG LEU B 49 -2.910 8.527 6.853 1.00 0.00 H new ATOM 0 HD11 LEU B 49 -1.300 10.317 7.437 1.00 0.00 H new ATOM 0 HD12 LEU B 49 -2.802 10.433 8.384 1.00 0.00 H new ATOM 0 HD13 LEU B 49 -1.327 9.776 9.132 1.00 0.00 H new ATOM 0 HD21 LEU B 49 -0.474 8.127 6.629 1.00 0.00 H new ATOM 0 HD22 LEU B 49 -0.443 7.447 8.273 1.00 0.00 H new ATOM 0 HD23 LEU B 49 -1.367 6.631 6.990 1.00 0.00 H new ATOM 2590 N TRP B 50 -4.110 4.370 9.901 1.00 0.00 N ATOM 2591 CA TRP B 50 -4.722 3.595 10.997 1.00 0.00 C ATOM 2592 C TRP B 50 -3.661 3.361 12.074 1.00 0.00 C ATOM 2593 O TRP B 50 -2.629 2.739 11.804 1.00 0.00 O ATOM 2594 CB TRP B 50 -5.282 2.242 10.460 1.00 0.00 C ATOM 2595 CG TRP B 50 -6.318 1.551 11.335 1.00 0.00 C ATOM 2596 CD1 TRP B 50 -6.638 1.824 12.637 1.00 0.00 C ATOM 2597 CD2 TRP B 50 -7.181 0.471 10.936 1.00 0.00 C ATOM 2598 NE1 TRP B 50 -7.632 0.984 13.068 1.00 0.00 N ATOM 2599 CE2 TRP B 50 -7.985 0.148 12.043 1.00 0.00 C ATOM 2600 CE3 TRP B 50 -7.346 -0.252 9.750 1.00 0.00 C ATOM 2601 CZ2 TRP B 50 -8.937 -0.867 12.003 1.00 0.00 C ATOM 2602 CZ3 TRP B 50 -8.300 -1.256 9.708 1.00 0.00 C ATOM 2603 CH2 TRP B 50 -9.084 -1.558 10.831 1.00 0.00 C ATOM 0 H TRP B 50 -3.427 3.842 9.358 1.00 0.00 H new ATOM 0 HA TRP B 50 -5.558 4.148 11.425 1.00 0.00 H new ATOM 0 HB2 TRP B 50 -5.724 2.419 9.480 1.00 0.00 H new ATOM 0 HB3 TRP B 50 -4.446 1.558 10.314 1.00 0.00 H new ATOM 0 HD1 TRP B 50 -6.174 2.591 13.239 1.00 0.00 H new ATOM 0 HE1 TRP B 50 -8.042 0.982 14.002 1.00 0.00 H new ATOM 0 HE3 TRP B 50 -6.741 -0.032 8.883 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 -9.539 -1.101 12.868 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 -8.442 -1.815 8.795 1.00 0.00 H new ATOM 0 HH2 TRP B 50 -9.816 -2.349 10.770 1.00 0.00 H new ATOM 2614 N SER B 51 -3.915 3.869 13.288 1.00 0.00 N ATOM 2615 CA SER B 51 -2.976 3.747 14.402 1.00 0.00 C ATOM 2616 C SER B 51 -3.090 2.359 15.071 1.00 0.00 C ATOM 2617 O SER B 51 -4.196 1.826 15.228 1.00 0.00 O ATOM 2618 CB SER B 51 -3.199 4.884 15.408 1.00 0.00 C ATOM 2619 OG SER B 51 -4.517 4.889 15.903 1.00 0.00 O ATOM 0 H SER B 51 -4.772 4.372 13.520 1.00 0.00 H new ATOM 0 HA SER B 51 -1.960 3.834 14.017 1.00 0.00 H new ATOM 0 HB2 SER B 51 -2.499 4.779 16.237 1.00 0.00 H new ATOM 0 HB3 SER B 51 -2.986 5.840 14.930 1.00 0.00 H new ATOM 0 HG SER B 51 -5.106 5.338 15.261 1.00 0.00 H new ATOM 2625 N ARG B 52 -1.948 1.791 15.461 1.00 0.00 N ATOM 2626 CA ARG B 52 -1.853 0.390 15.928 1.00 0.00 C ATOM 2627 C ARG B 52 -2.519 0.154 17.309 1.00 0.00 C ATOM 2628 O ARG B 52 -2.855 -0.980 17.650 1.00 0.00 O ATOM 2629 CB ARG B 52 -0.370 -0.055 15.933 1.00 0.00 C ATOM 2630 CG ARG B 52 0.568 0.790 16.813 1.00 0.00 C ATOM 2631 CD ARG B 52 2.047 0.418 16.619 1.00 0.00 C ATOM 2632 NE ARG B 52 2.909 1.142 17.559 1.00 0.00 N ATOM 2633 CZ ARG B 52 4.215 0.928 17.757 1.00 0.00 C ATOM 2634 NH1 ARG B 52 4.865 -0.042 17.114 1.00 0.00 N ATOM 2635 NH2 ARG B 52 4.865 1.691 18.622 1.00 0.00 N ATOM 0 H ARG B 52 -1.055 2.284 15.465 1.00 0.00 H new ATOM 0 HA ARG B 52 -2.416 -0.225 15.227 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -0.320 -1.091 16.268 1.00 0.00 H new ATOM 0 HB3 ARG B 52 0.002 -0.033 14.909 1.00 0.00 H new ATOM 0 HG2 ARG B 52 0.428 1.845 16.579 1.00 0.00 H new ATOM 0 HG3 ARG B 52 0.297 0.657 17.860 1.00 0.00 H new ATOM 0 HD2 ARG B 52 2.175 -0.655 16.759 1.00 0.00 H new ATOM 0 HD3 ARG B 52 2.350 0.645 15.597 1.00 0.00 H new ATOM 0 HE ARG B 52 2.472 1.878 18.114 1.00 0.00 H new ATOM 0 HH11 ARG B 52 4.367 -0.640 16.455 1.00 0.00 H new ATOM 0 HH12 ARG B 52 5.861 -0.186 17.281 1.00 0.00 H new ATOM 0 HH21 ARG B 52 4.370 2.428 19.125 1.00 0.00 H new ATOM 0 HH22 ARG B 52 5.861 1.542 18.786 1.00 0.00 H new ATOM 2649 N HIS B 53 -2.744 1.233 18.077 1.00 0.00 N ATOM 2650 CA HIS B 53 -3.425 1.149 19.396 1.00 0.00 C ATOM 2651 C HIS B 53 -4.962 1.037 19.250 1.00 0.00 C ATOM 2652 O HIS B 53 -5.661 0.797 20.242 1.00 0.00 O ATOM 2653 CB HIS B 53 -3.048 2.356 20.296 1.00 0.00 C ATOM 2654 CG HIS B 53 -3.315 3.709 19.683 1.00 0.00 C ATOM 2655 ND1 HIS B 53 -4.524 4.358 19.775 1.00 0.00 N ATOM 2656 CD2 HIS B 53 -2.504 4.537 18.984 1.00 0.00 C ATOM 2657 CE1 HIS B 53 -4.441 5.522 19.167 1.00 0.00 C ATOM 2658 NE2 HIS B 53 -3.226 5.659 18.679 1.00 0.00 N ATOM 0 H HIS B 53 -2.467 2.179 17.813 1.00 0.00 H new ATOM 0 HA HIS B 53 -3.075 0.236 19.877 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -3.602 2.281 21.232 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -1.989 2.288 20.546 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -5.355 3.994 20.241 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -1.475 4.347 18.716 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -5.238 6.246 19.082 1.00 0.00 H new ATOM 2667 N THR B 54 -5.482 1.208 18.016 1.00 0.00 N ATOM 2668 CA THR B 54 -6.934 1.122 17.737 1.00 0.00 C ATOM 2669 C THR B 54 -7.221 0.139 16.580 1.00 0.00 C ATOM 2670 O THR B 54 -8.369 0.026 16.120 1.00 0.00 O ATOM 2671 CB THR B 54 -7.515 2.545 17.414 1.00 0.00 C ATOM 2672 OG1 THR B 54 -8.950 2.538 17.479 1.00 0.00 O ATOM 2673 CG2 THR B 54 -7.079 3.061 16.031 1.00 0.00 C ATOM 0 H THR B 54 -4.915 1.408 17.192 1.00 0.00 H new ATOM 0 HA THR B 54 -7.429 0.740 18.630 1.00 0.00 H new ATOM 0 HB THR B 54 -7.111 3.218 18.171 1.00 0.00 H new ATOM 0 HG1 THR B 54 -9.294 1.736 17.032 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.509 4.048 15.859 1.00 0.00 H new ATOM 0 HG22 THR B 54 -5.992 3.127 15.993 1.00 0.00 H new ATOM 0 HG23 THR B 54 -7.428 2.374 15.260 1.00 0.00 H new ATOM 2681 N VAL B 55 -6.182 -0.586 16.112 1.00 0.00 N ATOM 2682 CA VAL B 55 -6.312 -1.486 14.952 1.00 0.00 C ATOM 2683 C VAL B 55 -7.052 -2.778 15.340 1.00 0.00 C ATOM 2684 O VAL B 55 -7.013 -3.199 16.499 1.00 0.00 O ATOM 2685 CB VAL B 55 -4.922 -1.826 14.289 1.00 0.00 C ATOM 2686 CG1 VAL B 55 -4.056 -2.741 15.190 1.00 0.00 C ATOM 2687 CG2 VAL B 55 -5.112 -2.430 12.862 1.00 0.00 C ATOM 0 H VAL B 55 -5.248 -0.564 16.520 1.00 0.00 H new ATOM 0 HA VAL B 55 -6.900 -0.951 14.207 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.376 -0.889 14.181 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -3.108 -2.949 14.693 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.866 -2.242 16.140 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.584 -3.677 15.372 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -4.137 -2.655 12.429 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -5.699 -3.346 12.930 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -5.633 -1.712 12.229 1.00 0.00 H new ATOM 2697 N GLU B 56 -7.767 -3.365 14.370 1.00 0.00 N ATOM 2698 CA GLU B 56 -8.405 -4.681 14.512 1.00 0.00 C ATOM 2699 C GLU B 56 -7.947 -5.603 13.362 1.00 0.00 C ATOM 2700 O GLU B 56 -8.216 -5.288 12.204 1.00 0.00 O ATOM 2701 CB GLU B 56 -9.945 -4.542 14.574 1.00 0.00 C ATOM 2702 CG GLU B 56 -10.439 -4.025 15.941 1.00 0.00 C ATOM 2703 CD GLU B 56 -11.940 -4.202 16.166 1.00 0.00 C ATOM 2704 OE1 GLU B 56 -12.442 -5.340 16.007 1.00 0.00 O ATOM 2705 OE2 GLU B 56 -12.616 -3.221 16.523 1.00 0.00 O ATOM 0 H GLU B 56 -7.920 -2.936 13.457 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.095 -5.136 15.453 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.277 -3.861 13.791 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.402 -5.510 14.369 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -9.899 -4.546 16.732 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -10.191 -2.967 16.029 1.00 0.00 H new ATOM 2712 N PRO B 57 -7.221 -6.751 13.649 1.00 0.00 N ATOM 2713 CA PRO B 57 -6.913 -7.235 15.023 1.00 0.00 C ATOM 2714 C PRO B 57 -5.778 -6.422 15.695 1.00 0.00 C ATOM 2715 O PRO B 57 -4.813 -6.018 15.027 1.00 0.00 O ATOM 2716 CB PRO B 57 -6.519 -8.715 14.787 1.00 0.00 C ATOM 2717 CG PRO B 57 -5.895 -8.725 13.421 1.00 0.00 C ATOM 2718 CD PRO B 57 -6.625 -7.653 12.622 1.00 0.00 C ATOM 0 HA PRO B 57 -7.750 -7.122 15.712 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -5.819 -9.065 15.546 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.390 -9.369 14.830 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -4.828 -8.511 13.477 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -6.000 -9.703 12.950 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -5.940 -7.111 11.969 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.394 -8.090 11.985 1.00 0.00 H new ATOM 2726 N LYS B 58 -5.947 -6.156 17.012 1.00 0.00 N ATOM 2727 CA LYS B 58 -5.012 -5.339 17.812 1.00 0.00 C ATOM 2728 C LYS B 58 -3.588 -5.930 17.757 1.00 0.00 C ATOM 2729 O LYS B 58 -3.367 -7.095 18.107 1.00 0.00 O ATOM 2730 CB LYS B 58 -5.515 -5.203 19.294 1.00 0.00 C ATOM 2731 CG LYS B 58 -5.209 -3.848 20.001 1.00 0.00 C ATOM 2732 CD LYS B 58 -3.709 -3.492 20.142 1.00 0.00 C ATOM 2733 CE LYS B 58 -2.908 -4.511 20.974 1.00 0.00 C ATOM 2734 NZ LYS B 58 -3.419 -4.644 22.363 1.00 0.00 N ATOM 0 H LYS B 58 -6.741 -6.505 17.549 1.00 0.00 H new ATOM 0 HA LYS B 58 -4.976 -4.339 17.381 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -6.594 -5.360 19.306 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -5.069 -6.005 19.882 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -5.703 -3.050 19.447 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -5.654 -3.869 20.996 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -3.267 -3.419 19.148 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -3.620 -2.509 20.604 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -2.944 -5.484 20.483 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -1.862 -4.208 21.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -2.824 -5.316 22.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -3.392 -3.717 22.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -4.399 -4.993 22.341 1.00 0.00 H new ATOM 2748 N ALA B 59 -2.652 -5.092 17.317 1.00 0.00 N ATOM 2749 CA ALA B 59 -1.235 -5.426 17.175 1.00 0.00 C ATOM 2750 C ALA B 59 -0.408 -4.156 17.419 1.00 0.00 C ATOM 2751 O ALA B 59 -0.967 -3.059 17.519 1.00 0.00 O ATOM 2752 CB ALA B 59 -0.963 -6.014 15.777 1.00 0.00 C ATOM 0 H ALA B 59 -2.864 -4.133 17.041 1.00 0.00 H new ATOM 0 HA ALA B 59 -0.950 -6.183 17.906 1.00 0.00 H new ATOM 0 HB1 ALA B 59 0.095 -6.258 15.685 1.00 0.00 H new ATOM 0 HB2 ALA B 59 -1.557 -6.918 15.640 1.00 0.00 H new ATOM 0 HB3 ALA B 59 -1.234 -5.283 15.016 1.00 0.00 H new ATOM 2758 N SER B 60 0.921 -4.305 17.515 1.00 0.00 N ATOM 2759 CA SER B 60 1.823 -3.168 17.744 1.00 0.00 C ATOM 2760 C SER B 60 3.173 -3.403 17.041 1.00 0.00 C ATOM 2761 O SER B 60 4.084 -4.018 17.607 1.00 0.00 O ATOM 2762 CB SER B 60 2.007 -2.929 19.261 1.00 0.00 C ATOM 2763 OG SER B 60 2.811 -1.792 19.518 1.00 0.00 O ATOM 0 H SER B 60 1.396 -5.204 17.437 1.00 0.00 H new ATOM 0 HA SER B 60 1.379 -2.270 17.315 1.00 0.00 H new ATOM 0 HB2 SER B 60 1.032 -2.799 19.730 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.464 -3.808 19.715 1.00 0.00 H new ATOM 0 HG SER B 60 2.905 -1.670 20.486 1.00 0.00 H new ATOM 2769 N VAL B 61 3.271 -2.937 15.783 1.00 0.00 N ATOM 2770 CA VAL B 61 4.513 -2.991 14.982 1.00 0.00 C ATOM 2771 C VAL B 61 4.615 -1.733 14.096 1.00 0.00 C ATOM 2772 O VAL B 61 3.600 -1.209 13.644 1.00 0.00 O ATOM 2773 CB VAL B 61 4.588 -4.304 14.101 1.00 0.00 C ATOM 2774 CG1 VAL B 61 3.376 -4.434 13.140 1.00 0.00 C ATOM 2775 CG2 VAL B 61 5.940 -4.415 13.339 1.00 0.00 C ATOM 0 H VAL B 61 2.488 -2.510 15.288 1.00 0.00 H new ATOM 0 HA VAL B 61 5.359 -3.018 15.669 1.00 0.00 H new ATOM 0 HB VAL B 61 4.537 -5.146 14.791 1.00 0.00 H new ATOM 0 HG11 VAL B 61 3.471 -5.350 12.556 1.00 0.00 H new ATOM 0 HG12 VAL B 61 2.454 -4.468 13.720 1.00 0.00 H new ATOM 0 HG13 VAL B 61 3.351 -3.576 12.468 1.00 0.00 H new ATOM 0 HG21 VAL B 61 5.950 -5.330 12.747 1.00 0.00 H new ATOM 0 HG22 VAL B 61 6.058 -3.555 12.680 1.00 0.00 H new ATOM 0 HG23 VAL B 61 6.761 -4.438 14.056 1.00 0.00 H new ATOM 2785 N THR B 62 5.838 -1.220 13.915 1.00 0.00 N ATOM 2786 CA THR B 62 6.142 -0.099 13.002 1.00 0.00 C ATOM 2787 C THR B 62 7.540 -0.323 12.392 1.00 0.00 C ATOM 2788 O THR B 62 8.515 -0.518 13.134 1.00 0.00 O ATOM 2789 CB THR B 62 6.079 1.295 13.742 1.00 0.00 C ATOM 2790 OG1 THR B 62 6.672 1.172 15.043 1.00 0.00 O ATOM 2791 CG2 THR B 62 4.635 1.835 13.879 1.00 0.00 C ATOM 0 H THR B 62 6.660 -1.574 14.404 1.00 0.00 H new ATOM 0 HA THR B 62 5.389 -0.074 12.215 1.00 0.00 H new ATOM 0 HB THR B 62 6.633 2.010 13.134 1.00 0.00 H new ATOM 0 HG1 THR B 62 6.635 2.037 15.502 1.00 0.00 H new ATOM 0 HG21 THR B 62 4.653 2.795 14.395 1.00 0.00 H new ATOM 0 HG22 THR B 62 4.199 1.964 12.888 1.00 0.00 H new ATOM 0 HG23 THR B 62 4.035 1.127 14.450 1.00 0.00 H new ATOM 2799 N GLY B 63 7.625 -0.338 11.050 1.00 0.00 N ATOM 2800 CA GLY B 63 8.900 -0.523 10.354 1.00 0.00 C ATOM 2801 C GLY B 63 8.708 -0.778 8.868 1.00 0.00 C ATOM 2802 O GLY B 63 9.030 0.086 8.041 1.00 0.00 O ATOM 0 H GLY B 63 6.823 -0.224 10.430 1.00 0.00 H new ATOM 0 HA2 GLY B 63 9.520 0.363 10.492 1.00 0.00 H new ATOM 0 HA3 GLY B 63 9.437 -1.361 10.799 1.00 0.00 H new ATOM 2806 N GLY B 64 8.147 -1.958 8.536 1.00 0.00 N ATOM 2807 CA GLY B 64 7.924 -2.374 7.144 1.00 0.00 C ATOM 2808 C GLY B 64 6.733 -3.318 7.017 1.00 0.00 C ATOM 2809 O GLY B 64 6.465 -4.097 7.936 1.00 0.00 O ATOM 0 H GLY B 64 7.838 -2.644 9.225 1.00 0.00 H new ATOM 0 HA2 GLY B 64 7.757 -1.493 6.524 1.00 0.00 H new ATOM 0 HA3 GLY B 64 8.819 -2.866 6.764 1.00 0.00 H new ATOM 2813 N GLY B 65 6.029 -3.255 5.874 1.00 0.00 N ATOM 2814 CA GLY B 65 4.814 -4.057 5.647 1.00 0.00 C ATOM 2815 C GLY B 65 3.979 -3.517 4.490 1.00 0.00 C ATOM 2816 O GLY B 65 3.200 -4.253 3.874 1.00 0.00 O ATOM 0 H GLY B 65 6.282 -2.654 5.090 1.00 0.00 H new ATOM 0 HA2 GLY B 65 5.095 -5.090 5.440 1.00 0.00 H new ATOM 0 HA3 GLY B 65 4.211 -4.067 6.555 1.00 0.00 H new ATOM 2820 N GLY B 66 4.160 -2.223 4.199 1.00 0.00 N ATOM 2821 CA GLY B 66 3.500 -1.567 3.078 1.00 0.00 C ATOM 2822 C GLY B 66 4.187 -0.254 2.762 1.00 0.00 C ATOM 2823 O GLY B 66 4.177 0.660 3.596 1.00 0.00 O ATOM 0 H GLY B 66 4.769 -1.607 4.737 1.00 0.00 H new ATOM 0 HA2 GLY B 66 3.521 -2.217 2.203 1.00 0.00 H new ATOM 0 HA3 GLY B 66 2.452 -1.389 3.317 1.00 0.00 H new ATOM 2827 N GLU B 67 4.764 -0.154 1.555 1.00 0.00 N ATOM 2828 CA GLU B 67 5.634 0.962 1.145 1.00 0.00 C ATOM 2829 C GLU B 67 4.832 1.911 0.258 1.00 0.00 C ATOM 2830 O GLU B 67 3.997 1.459 -0.526 1.00 0.00 O ATOM 2831 CB GLU B 67 6.873 0.395 0.393 1.00 0.00 C ATOM 2832 CG GLU B 67 7.567 -0.760 1.150 1.00 0.00 C ATOM 2833 CD GLU B 67 8.874 -1.226 0.499 1.00 0.00 C ATOM 2834 OE1 GLU B 67 8.822 -1.902 -0.553 1.00 0.00 O ATOM 2835 OE2 GLU B 67 9.960 -0.885 1.018 1.00 0.00 O ATOM 0 H GLU B 67 4.638 -0.855 0.825 1.00 0.00 H new ATOM 0 HA GLU B 67 5.988 1.516 2.015 1.00 0.00 H new ATOM 0 HB2 GLU B 67 6.563 0.042 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU B 67 7.591 1.199 0.231 1.00 0.00 H new ATOM 0 HG2 GLU B 67 7.774 -0.441 2.171 1.00 0.00 H new ATOM 0 HG3 GLU B 67 6.881 -1.605 1.213 1.00 0.00 H new ATOM 2842 N LEU B 68 5.087 3.224 0.357 1.00 0.00 N ATOM 2843 CA LEU B 68 4.227 4.237 -0.264 1.00 0.00 C ATOM 2844 C LEU B 68 4.975 4.866 -1.443 1.00 0.00 C ATOM 2845 O LEU B 68 5.858 5.691 -1.225 1.00 0.00 O ATOM 2846 CB LEU B 68 3.803 5.311 0.781 1.00 0.00 C ATOM 2847 CG LEU B 68 2.711 6.319 0.297 1.00 0.00 C ATOM 2848 CD1 LEU B 68 1.421 5.595 -0.161 1.00 0.00 C ATOM 2849 CD2 LEU B 68 2.412 7.371 1.383 1.00 0.00 C ATOM 0 H LEU B 68 5.885 3.608 0.863 1.00 0.00 H new ATOM 0 HA LEU B 68 3.314 3.771 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU B 68 3.435 4.802 1.672 1.00 0.00 H new ATOM 0 HB3 LEU B 68 4.688 5.874 1.078 1.00 0.00 H new ATOM 0 HG LEU B 68 3.109 6.840 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU B 68 0.688 6.331 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU B 68 1.655 4.922 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU B 68 1.011 5.021 0.670 1.00 0.00 H new ATOM 0 HD21 LEU B 68 1.649 8.060 1.021 1.00 0.00 H new ATOM 0 HD22 LEU B 68 2.053 6.872 2.284 1.00 0.00 H new ATOM 0 HD23 LEU B 68 3.322 7.925 1.613 1.00 0.00 H new ATOM 2861 N ALA B 69 4.667 4.458 -2.674 1.00 0.00 N ATOM 2862 CA ALA B 69 5.478 4.836 -3.846 1.00 0.00 C ATOM 2863 C ALA B 69 4.979 6.154 -4.477 1.00 0.00 C ATOM 2864 O ALA B 69 3.886 6.211 -5.054 1.00 0.00 O ATOM 2865 CB ALA B 69 5.501 3.684 -4.859 1.00 0.00 C ATOM 0 H ALA B 69 3.865 3.867 -2.892 1.00 0.00 H new ATOM 0 HA ALA B 69 6.502 5.019 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA B 69 6.102 3.970 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA B 69 5.934 2.799 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA B 69 4.484 3.463 -5.182 1.00 0.00 H new ATOM 2871 N PHE B 70 5.808 7.203 -4.357 1.00 0.00 N ATOM 2872 CA PHE B 70 5.556 8.544 -4.900 1.00 0.00 C ATOM 2873 C PHE B 70 6.164 8.592 -6.307 1.00 0.00 C ATOM 2874 O PHE B 70 7.391 8.482 -6.475 1.00 0.00 O ATOM 2875 CB PHE B 70 6.212 9.636 -3.998 1.00 0.00 C ATOM 2876 CG PHE B 70 5.587 9.818 -2.610 1.00 0.00 C ATOM 2877 CD1 PHE B 70 5.695 8.830 -1.635 1.00 0.00 C ATOM 2878 CD2 PHE B 70 4.921 10.995 -2.270 1.00 0.00 C ATOM 2879 CE1 PHE B 70 5.157 9.006 -0.378 1.00 0.00 C ATOM 2880 CE2 PHE B 70 4.379 11.167 -1.014 1.00 0.00 C ATOM 2881 CZ PHE B 70 4.501 10.174 -0.070 1.00 0.00 C ATOM 0 H PHE B 70 6.699 7.138 -3.864 1.00 0.00 H new ATOM 0 HA PHE B 70 4.485 8.742 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.266 9.391 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.167 10.590 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE B 70 6.209 7.909 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.828 11.784 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE B 70 5.251 8.227 0.364 1.00 0.00 H new ATOM 0 HE2 PHE B 70 3.859 12.082 -0.771 1.00 0.00 H new ATOM 0 HZ PHE B 70 4.081 10.312 0.915 1.00 0.00 H new ATOM 2891 N ARG B 71 5.292 8.686 -7.314 1.00 0.00 N ATOM 2892 CA ARG B 71 5.696 8.629 -8.722 1.00 0.00 C ATOM 2893 C ARG B 71 6.014 10.018 -9.284 1.00 0.00 C ATOM 2894 O ARG B 71 5.228 10.962 -9.152 1.00 0.00 O ATOM 2895 CB ARG B 71 4.575 8.007 -9.589 1.00 0.00 C ATOM 2896 CG ARG B 71 4.012 6.665 -9.080 1.00 0.00 C ATOM 2897 CD ARG B 71 3.196 5.950 -10.159 1.00 0.00 C ATOM 2898 NE ARG B 71 2.023 6.734 -10.585 1.00 0.00 N ATOM 2899 CZ ARG B 71 1.683 7.035 -11.852 1.00 0.00 C ATOM 2900 NH1 ARG B 71 2.460 6.695 -12.875 1.00 0.00 N ATOM 2901 NH2 ARG B 71 0.557 7.699 -12.074 1.00 0.00 N ATOM 0 H ARG B 71 4.288 8.804 -7.177 1.00 0.00 H new ATOM 0 HA ARG B 71 6.594 8.013 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG B 71 3.755 8.722 -9.660 1.00 0.00 H new ATOM 0 HB3 ARG B 71 4.959 7.861 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG B 71 4.833 6.024 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG B 71 3.385 6.841 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG B 71 3.832 5.754 -11.022 1.00 0.00 H new ATOM 0 HD3 ARG B 71 2.866 4.983 -9.780 1.00 0.00 H new ATOM 0 HE ARG B 71 1.409 7.082 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG B 71 3.334 6.196 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG B 71 2.183 6.933 -13.827 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -0.036 7.973 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG B 71 0.284 7.935 -13.028 1.00 0.00 H new ATOM 2915 N VAL B 72 7.211 10.110 -9.884 1.00 0.00 N ATOM 2916 CA VAL B 72 7.726 11.331 -10.523 1.00 0.00 C ATOM 2917 C VAL B 72 8.225 11.019 -11.946 1.00 0.00 C ATOM 2918 O VAL B 72 8.503 9.855 -12.280 1.00 0.00 O ATOM 2919 CB VAL B 72 8.909 11.976 -9.709 1.00 0.00 C ATOM 2920 CG1 VAL B 72 8.482 12.455 -8.308 1.00 0.00 C ATOM 2921 CG2 VAL B 72 10.128 11.028 -9.621 1.00 0.00 C ATOM 0 H VAL B 72 7.859 9.324 -9.940 1.00 0.00 H new ATOM 0 HA VAL B 72 6.899 12.041 -10.554 1.00 0.00 H new ATOM 0 HB VAL B 72 9.208 12.862 -10.268 1.00 0.00 H new ATOM 0 HG11 VAL B 72 9.340 12.890 -7.795 1.00 0.00 H new ATOM 0 HG12 VAL B 72 7.697 13.205 -8.404 1.00 0.00 H new ATOM 0 HG13 VAL B 72 8.106 11.609 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL B 72 10.923 11.510 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL B 72 9.835 10.103 -9.124 1.00 0.00 H new ATOM 0 HG23 VAL B 72 10.487 10.802 -10.625 1.00 0.00 H new ATOM 2931 N GLU B 73 8.326 12.076 -12.771 1.00 0.00 N ATOM 2932 CA GLU B 73 8.654 11.954 -14.201 1.00 0.00 C ATOM 2933 C GLU B 73 10.095 11.465 -14.482 1.00 0.00 C ATOM 2934 O GLU B 73 10.296 10.732 -15.456 1.00 0.00 O ATOM 2935 CB GLU B 73 8.376 13.289 -14.945 1.00 0.00 C ATOM 2936 CG GLU B 73 9.153 14.502 -14.433 1.00 0.00 C ATOM 2937 CD GLU B 73 9.008 15.735 -15.341 1.00 0.00 C ATOM 2938 OE1 GLU B 73 9.813 15.883 -16.289 1.00 0.00 O ATOM 2939 OE2 GLU B 73 8.090 16.551 -15.118 1.00 0.00 O ATOM 0 H GLU B 73 8.182 13.038 -12.465 1.00 0.00 H new ATOM 0 HA GLU B 73 7.996 11.176 -14.587 1.00 0.00 H new ATOM 0 HB2 GLU B 73 8.607 13.151 -16.001 1.00 0.00 H new ATOM 0 HB3 GLU B 73 7.310 13.507 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU B 73 8.805 14.753 -13.431 1.00 0.00 H new ATOM 0 HG3 GLU B 73 10.208 14.242 -14.349 1.00 0.00 H new ATOM 2946 N ASN B 74 11.095 11.846 -13.643 1.00 0.00 N ATOM 2947 CA ASN B 74 12.500 11.416 -13.859 1.00 0.00 C ATOM 2948 C ASN B 74 13.375 11.605 -12.606 1.00 0.00 C ATOM 2949 O ASN B 74 12.906 12.082 -11.566 1.00 0.00 O ATOM 2950 CB ASN B 74 13.139 12.177 -15.060 1.00 0.00 C ATOM 2951 CG ASN B 74 13.460 13.644 -14.753 1.00 0.00 C ATOM 2952 OD1 ASN B 74 14.569 13.972 -14.331 1.00 0.00 O ATOM 2953 ND2 ASN B 74 12.509 14.535 -14.978 1.00 0.00 N ATOM 0 H ASN B 74 10.957 12.440 -12.825 1.00 0.00 H new ATOM 0 HA ASN B 74 12.462 10.350 -14.082 1.00 0.00 H new ATOM 0 HB2 ASN B 74 14.056 11.667 -15.357 1.00 0.00 H new ATOM 0 HB3 ASN B 74 12.460 12.132 -15.911 1.00 0.00 H new ATOM 0 HD21 ASN B 74 12.685 15.524 -14.802 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.600 14.233 -15.328 1.00 0.00 H new ATOM 2960 N ASP B 75 14.655 11.196 -12.753 1.00 0.00 N ATOM 2961 CA ASP B 75 15.628 11.018 -11.651 1.00 0.00 C ATOM 2962 C ASP B 75 15.859 12.307 -10.857 1.00 0.00 C ATOM 2963 O ASP B 75 16.161 12.267 -9.656 1.00 0.00 O ATOM 2964 CB ASP B 75 16.964 10.466 -12.218 1.00 0.00 C ATOM 2965 CG ASP B 75 17.593 11.384 -13.281 1.00 0.00 C ATOM 2966 OD1 ASP B 75 17.127 11.368 -14.444 1.00 0.00 O ATOM 2967 OD2 ASP B 75 18.553 12.122 -12.970 1.00 0.00 O ATOM 0 H ASP B 75 15.051 10.974 -13.667 1.00 0.00 H new ATOM 0 HA ASP B 75 15.207 10.298 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP B 75 17.671 10.330 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.788 9.482 -12.654 1.00 0.00 H new ATOM 2972 N ALA B 76 15.733 13.447 -11.553 1.00 0.00 N ATOM 2973 CA ALA B 76 15.924 14.771 -10.953 1.00 0.00 C ATOM 2974 C ALA B 76 14.823 15.046 -9.925 1.00 0.00 C ATOM 2975 O ALA B 76 15.099 15.446 -8.802 1.00 0.00 O ATOM 2976 CB ALA B 76 15.945 15.864 -12.033 1.00 0.00 C ATOM 0 H ALA B 76 15.496 13.474 -12.545 1.00 0.00 H new ATOM 0 HA ALA B 76 16.888 14.785 -10.445 1.00 0.00 H new ATOM 0 HB1 ALA B 76 16.088 16.837 -11.563 1.00 0.00 H new ATOM 0 HB2 ALA B 76 16.763 15.673 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA B 76 14.999 15.858 -12.575 1.00 0.00 H new ATOM 2982 N GLN B 77 13.574 14.758 -10.330 1.00 0.00 N ATOM 2983 CA GLN B 77 12.371 14.928 -9.497 1.00 0.00 C ATOM 2984 C GLN B 77 12.383 14.013 -8.245 1.00 0.00 C ATOM 2985 O GLN B 77 11.717 14.310 -7.253 1.00 0.00 O ATOM 2986 CB GLN B 77 11.115 14.633 -10.355 1.00 0.00 C ATOM 2987 CG GLN B 77 10.828 15.630 -11.495 1.00 0.00 C ATOM 2988 CD GLN B 77 10.130 16.916 -11.034 1.00 0.00 C ATOM 2989 OE1 GLN B 77 9.340 16.899 -10.087 1.00 0.00 O ATOM 2990 NE2 GLN B 77 10.394 18.028 -11.700 1.00 0.00 N ATOM 0 H GLN B 77 13.369 14.395 -11.261 1.00 0.00 H new ATOM 0 HA GLN B 77 12.355 15.957 -9.139 1.00 0.00 H new ATOM 0 HB2 GLN B 77 11.220 13.638 -10.787 1.00 0.00 H new ATOM 0 HB3 GLN B 77 10.247 14.605 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN B 77 11.768 15.892 -11.981 1.00 0.00 H new ATOM 0 HG3 GLN B 77 10.207 15.140 -12.245 1.00 0.00 H new ATOM 0 HE21 GLN B 77 11.052 18.012 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN B 77 9.940 18.902 -11.434 1.00 0.00 H new ATOM 2999 N VAL B 78 13.154 12.906 -8.313 1.00 0.00 N ATOM 3000 CA VAL B 78 13.407 12.023 -7.149 1.00 0.00 C ATOM 3001 C VAL B 78 14.263 12.767 -6.101 1.00 0.00 C ATOM 3002 O VAL B 78 13.992 12.715 -4.895 1.00 0.00 O ATOM 3003 CB VAL B 78 14.148 10.694 -7.573 1.00 0.00 C ATOM 3004 CG1 VAL B 78 14.442 9.773 -6.358 1.00 0.00 C ATOM 3005 CG2 VAL B 78 13.357 9.929 -8.649 1.00 0.00 C ATOM 0 H VAL B 78 13.616 12.599 -9.169 1.00 0.00 H new ATOM 0 HA VAL B 78 12.440 11.755 -6.724 1.00 0.00 H new ATOM 0 HB VAL B 78 15.106 10.994 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL B 78 14.952 8.872 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL B 78 15.076 10.301 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL B 78 13.505 9.498 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL B 78 13.895 9.020 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL B 78 12.373 9.667 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL B 78 13.242 10.558 -9.532 1.00 0.00 H new ATOM 3015 N ASP B 79 15.281 13.493 -6.618 1.00 0.00 N ATOM 3016 CA ASP B 79 16.250 14.262 -5.818 1.00 0.00 C ATOM 3017 C ASP B 79 15.621 15.563 -5.274 1.00 0.00 C ATOM 3018 O ASP B 79 16.010 16.050 -4.205 1.00 0.00 O ATOM 3019 CB ASP B 79 17.501 14.562 -6.696 1.00 0.00 C ATOM 3020 CG ASP B 79 18.551 15.450 -6.010 1.00 0.00 C ATOM 3021 OD1 ASP B 79 19.249 14.957 -5.106 1.00 0.00 O ATOM 3022 OD2 ASP B 79 18.672 16.644 -6.365 1.00 0.00 O ATOM 0 H ASP B 79 15.451 13.559 -7.622 1.00 0.00 H new ATOM 0 HA ASP B 79 16.551 13.673 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP B 79 17.968 13.618 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP B 79 17.177 15.046 -7.617 1.00 0.00 H new ATOM 3027 N GLU B 80 14.641 16.106 -6.014 1.00 0.00 N ATOM 3028 CA GLU B 80 13.908 17.320 -5.604 1.00 0.00 C ATOM 3029 C GLU B 80 12.969 16.992 -4.432 1.00 0.00 C ATOM 3030 O GLU B 80 12.913 17.719 -3.435 1.00 0.00 O ATOM 3031 CB GLU B 80 13.144 17.931 -6.808 1.00 0.00 C ATOM 3032 CG GLU B 80 14.056 18.262 -8.005 1.00 0.00 C ATOM 3033 CD GLU B 80 13.406 19.195 -9.038 1.00 0.00 C ATOM 3034 OE1 GLU B 80 12.625 18.714 -9.880 1.00 0.00 O ATOM 3035 OE2 GLU B 80 13.665 20.415 -9.003 1.00 0.00 O ATOM 0 H GLU B 80 14.334 15.721 -6.907 1.00 0.00 H new ATOM 0 HA GLU B 80 14.619 18.072 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU B 80 12.371 17.233 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU B 80 12.637 18.840 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU B 80 14.971 18.725 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU B 80 14.345 17.334 -8.498 1.00 0.00 H new ATOM 3042 N THR B 81 12.257 15.854 -4.575 1.00 0.00 N ATOM 3043 CA THR B 81 11.388 15.303 -3.522 1.00 0.00 C ATOM 3044 C THR B 81 12.231 14.883 -2.298 1.00 0.00 C ATOM 3045 O THR B 81 11.780 15.020 -1.159 1.00 0.00 O ATOM 3046 CB THR B 81 10.557 14.094 -4.062 1.00 0.00 C ATOM 3047 OG1 THR B 81 9.810 14.502 -5.223 1.00 0.00 O ATOM 3048 CG2 THR B 81 9.583 13.529 -3.017 1.00 0.00 C ATOM 0 H THR B 81 12.271 15.293 -5.427 1.00 0.00 H new ATOM 0 HA THR B 81 10.689 16.079 -3.212 1.00 0.00 H new ATOM 0 HB THR B 81 11.267 13.306 -4.313 1.00 0.00 H new ATOM 0 HG1 THR B 81 10.391 14.474 -6.012 1.00 0.00 H new ATOM 0 HG21 THR B 81 9.033 12.692 -3.447 1.00 0.00 H new ATOM 0 HG22 THR B 81 10.142 13.187 -2.146 1.00 0.00 H new ATOM 0 HG23 THR B 81 8.882 14.307 -2.715 1.00 0.00 H new ATOM 3056 N PHE B 82 13.473 14.406 -2.565 1.00 0.00 N ATOM 3057 CA PHE B 82 14.464 14.069 -1.522 1.00 0.00 C ATOM 3058 C PHE B 82 14.704 15.299 -0.629 1.00 0.00 C ATOM 3059 O PHE B 82 14.437 15.276 0.563 1.00 0.00 O ATOM 3060 CB PHE B 82 15.795 13.574 -2.178 1.00 0.00 C ATOM 3061 CG PHE B 82 16.941 13.198 -1.215 1.00 0.00 C ATOM 3062 CD1 PHE B 82 17.796 14.173 -0.684 1.00 0.00 C ATOM 3063 CD2 PHE B 82 17.174 11.869 -0.856 1.00 0.00 C ATOM 3064 CE1 PHE B 82 18.828 13.830 0.170 1.00 0.00 C ATOM 3065 CE2 PHE B 82 18.211 11.528 -0.004 1.00 0.00 C ATOM 3066 CZ PHE B 82 19.035 12.509 0.510 1.00 0.00 C ATOM 0 H PHE B 82 13.812 14.245 -3.513 1.00 0.00 H new ATOM 0 HA PHE B 82 14.081 13.259 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE B 82 15.568 12.704 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE B 82 16.155 14.354 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE B 82 17.646 15.210 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE B 82 16.534 11.093 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE B 82 19.473 14.597 0.572 1.00 0.00 H new ATOM 0 HE2 PHE B 82 18.375 10.493 0.259 1.00 0.00 H new ATOM 0 HZ PHE B 82 19.841 12.243 1.178 1.00 0.00 H new ATOM 3076 N ALA B 83 15.169 16.385 -1.269 1.00 0.00 N ATOM 3077 CA ALA B 83 15.594 17.623 -0.589 1.00 0.00 C ATOM 3078 C ALA B 83 14.448 18.295 0.182 1.00 0.00 C ATOM 3079 O ALA B 83 14.660 18.832 1.272 1.00 0.00 O ATOM 3080 CB ALA B 83 16.189 18.596 -1.612 1.00 0.00 C ATOM 0 H ALA B 83 15.262 16.430 -2.284 1.00 0.00 H new ATOM 0 HA ALA B 83 16.351 17.350 0.146 1.00 0.00 H new ATOM 0 HB1 ALA B 83 16.502 19.509 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA B 83 17.051 18.135 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA B 83 15.438 18.837 -2.364 1.00 0.00 H new ATOM 3086 N GLY B 84 13.243 18.263 -0.410 1.00 0.00 N ATOM 3087 CA GLY B 84 12.046 18.802 0.234 1.00 0.00 C ATOM 3088 C GLY B 84 11.640 18.042 1.498 1.00 0.00 C ATOM 3089 O GLY B 84 11.308 18.659 2.516 1.00 0.00 O ATOM 0 H GLY B 84 13.077 17.868 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY B 84 12.219 19.848 0.488 1.00 0.00 H new ATOM 0 HA3 GLY B 84 11.219 18.779 -0.476 1.00 0.00 H new ATOM 3093 N TRP B 85 11.722 16.699 1.442 1.00 0.00 N ATOM 3094 CA TRP B 85 11.499 15.823 2.613 1.00 0.00 C ATOM 3095 C TRP B 85 12.583 16.073 3.672 1.00 0.00 C ATOM 3096 O TRP B 85 12.283 16.139 4.870 1.00 0.00 O ATOM 3097 CB TRP B 85 11.484 14.342 2.162 1.00 0.00 C ATOM 3098 CG TRP B 85 10.231 13.928 1.418 1.00 0.00 C ATOM 3099 CD1 TRP B 85 9.200 14.727 0.998 1.00 0.00 C ATOM 3100 CD2 TRP B 85 9.881 12.599 1.016 1.00 0.00 C ATOM 3101 NE1 TRP B 85 8.249 13.979 0.359 1.00 0.00 N ATOM 3102 CE2 TRP B 85 8.638 12.671 0.368 1.00 0.00 C ATOM 3103 CE3 TRP B 85 10.494 11.356 1.153 1.00 0.00 C ATOM 3104 CZ2 TRP B 85 8.008 11.554 -0.157 1.00 0.00 C ATOM 3105 CZ3 TRP B 85 9.864 10.246 0.635 1.00 0.00 C ATOM 3106 CH2 TRP B 85 8.628 10.351 -0.003 1.00 0.00 C ATOM 0 H TRP B 85 11.944 16.190 0.587 1.00 0.00 H new ATOM 0 HA TRP B 85 10.533 16.053 3.062 1.00 0.00 H new ATOM 0 HB2 TRP B 85 12.348 14.161 1.523 1.00 0.00 H new ATOM 0 HB3 TRP B 85 11.598 13.706 3.040 1.00 0.00 H new ATOM 0 HD1 TRP B 85 9.146 15.795 1.150 1.00 0.00 H new ATOM 0 HE1 TRP B 85 7.390 14.340 -0.056 1.00 0.00 H new ATOM 0 HE3 TRP B 85 11.445 11.264 1.656 1.00 0.00 H new ATOM 0 HZ2 TRP B 85 7.061 11.634 -0.669 1.00 0.00 H new ATOM 0 HZ3 TRP B 85 10.335 9.278 0.724 1.00 0.00 H new ATOM 0 HH2 TRP B 85 8.152 9.459 -0.383 1.00 0.00 H new ATOM 3117 N LYS B 86 13.832 16.217 3.217 1.00 0.00 N ATOM 3118 CA LYS B 86 14.994 16.443 4.091 1.00 0.00 C ATOM 3119 C LYS B 86 14.822 17.736 4.896 1.00 0.00 C ATOM 3120 O LYS B 86 15.094 17.774 6.099 1.00 0.00 O ATOM 3121 CB LYS B 86 16.282 16.489 3.237 1.00 0.00 C ATOM 3122 CG LYS B 86 17.570 16.762 4.036 1.00 0.00 C ATOM 3123 CD LYS B 86 18.844 16.674 3.166 1.00 0.00 C ATOM 3124 CE LYS B 86 18.711 17.449 1.841 1.00 0.00 C ATOM 3125 NZ LYS B 86 20.022 17.685 1.205 1.00 0.00 N ATOM 0 H LYS B 86 14.069 16.180 2.226 1.00 0.00 H new ATOM 0 HA LYS B 86 15.073 15.620 4.801 1.00 0.00 H new ATOM 0 HB2 LYS B 86 16.389 15.539 2.713 1.00 0.00 H new ATOM 0 HB3 LYS B 86 16.171 17.262 2.476 1.00 0.00 H new ATOM 0 HG2 LYS B 86 17.510 17.753 4.485 1.00 0.00 H new ATOM 0 HG3 LYS B 86 17.644 16.045 4.854 1.00 0.00 H new ATOM 0 HD2 LYS B 86 19.691 17.066 3.728 1.00 0.00 H new ATOM 0 HD3 LYS B 86 19.061 15.628 2.951 1.00 0.00 H new ATOM 0 HE2 LYS B 86 18.071 16.891 1.157 1.00 0.00 H new ATOM 0 HE3 LYS B 86 18.221 18.405 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 19.888 18.209 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 20.624 18.240 1.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 20.479 16.773 1.003 1.00 0.00 H new ATOM 3139 N ALA B 87 14.333 18.773 4.208 1.00 0.00 N ATOM 3140 CA ALA B 87 14.056 20.086 4.804 1.00 0.00 C ATOM 3141 C ALA B 87 12.860 20.026 5.780 1.00 0.00 C ATOM 3142 O ALA B 87 12.780 20.798 6.744 1.00 0.00 O ATOM 3143 CB ALA B 87 13.799 21.115 3.691 1.00 0.00 C ATOM 0 H ALA B 87 14.116 18.725 3.212 1.00 0.00 H new ATOM 0 HA ALA B 87 14.929 20.392 5.381 1.00 0.00 H new ATOM 0 HB1 ALA B 87 13.594 22.089 4.136 1.00 0.00 H new ATOM 0 HB2 ALA B 87 14.679 21.187 3.051 1.00 0.00 H new ATOM 0 HB3 ALA B 87 12.942 20.800 3.095 1.00 0.00 H new ATOM 3149 N SER B 88 11.944 19.074 5.506 1.00 0.00 N ATOM 3150 CA SER B 88 10.669 18.906 6.238 1.00 0.00 C ATOM 3151 C SER B 88 10.745 17.790 7.321 1.00 0.00 C ATOM 3152 O SER B 88 9.723 17.340 7.855 1.00 0.00 O ATOM 3153 CB SER B 88 9.562 18.579 5.199 1.00 0.00 C ATOM 3154 OG SER B 88 8.265 18.520 5.774 1.00 0.00 O ATOM 0 H SER B 88 12.070 18.390 4.760 1.00 0.00 H new ATOM 0 HA SER B 88 10.444 19.831 6.770 1.00 0.00 H new ATOM 0 HB2 SER B 88 9.572 19.336 4.414 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.787 17.624 4.724 1.00 0.00 H new ATOM 0 HG SER B 88 8.333 18.225 6.706 1.00 0.00 H new ATOM 3160 N GLY B 89 11.986 17.366 7.640 1.00 0.00 N ATOM 3161 CA GLY B 89 12.266 16.556 8.839 1.00 0.00 C ATOM 3162 C GLY B 89 12.025 15.059 8.673 1.00 0.00 C ATOM 3163 O GLY B 89 11.712 14.363 9.652 1.00 0.00 O ATOM 0 H GLY B 89 12.812 17.574 7.079 1.00 0.00 H new ATOM 0 HA2 GLY B 89 13.305 16.712 9.131 1.00 0.00 H new ATOM 0 HA3 GLY B 89 11.647 16.920 9.659 1.00 0.00 H new ATOM 3167 N VAL B 90 12.187 14.555 7.446 1.00 0.00 N ATOM 3168 CA VAL B 90 12.087 13.117 7.149 1.00 0.00 C ATOM 3169 C VAL B 90 13.462 12.453 7.381 1.00 0.00 C ATOM 3170 O VAL B 90 14.479 12.954 6.893 1.00 0.00 O ATOM 3171 CB VAL B 90 11.586 12.894 5.676 1.00 0.00 C ATOM 3172 CG1 VAL B 90 11.492 11.400 5.313 1.00 0.00 C ATOM 3173 CG2 VAL B 90 10.225 13.592 5.454 1.00 0.00 C ATOM 0 H VAL B 90 12.391 15.130 6.628 1.00 0.00 H new ATOM 0 HA VAL B 90 11.359 12.655 7.816 1.00 0.00 H new ATOM 0 HB VAL B 90 12.326 13.341 5.013 1.00 0.00 H new ATOM 0 HG11 VAL B 90 11.142 11.296 4.286 1.00 0.00 H new ATOM 0 HG12 VAL B 90 12.475 10.940 5.409 1.00 0.00 H new ATOM 0 HG13 VAL B 90 10.792 10.905 5.987 1.00 0.00 H new ATOM 0 HG21 VAL B 90 9.894 13.427 4.429 1.00 0.00 H new ATOM 0 HG22 VAL B 90 9.488 13.180 6.144 1.00 0.00 H new ATOM 0 HG23 VAL B 90 10.331 14.662 5.633 1.00 0.00 H new ATOM 3183 N ALA B 91 13.470 11.334 8.138 1.00 0.00 N ATOM 3184 CA ALA B 91 14.711 10.655 8.598 1.00 0.00 C ATOM 3185 C ALA B 91 15.570 10.125 7.423 1.00 0.00 C ATOM 3186 O ALA B 91 16.802 10.225 7.462 1.00 0.00 O ATOM 3187 CB ALA B 91 14.353 9.513 9.560 1.00 0.00 C ATOM 0 H ALA B 91 12.616 10.872 8.450 1.00 0.00 H new ATOM 0 HA ALA B 91 15.316 11.397 9.119 1.00 0.00 H new ATOM 0 HB1 ALA B 91 15.265 9.019 9.894 1.00 0.00 H new ATOM 0 HB2 ALA B 91 13.822 9.917 10.422 1.00 0.00 H new ATOM 0 HB3 ALA B 91 13.717 8.792 9.048 1.00 0.00 H new ATOM 3193 N MET B 92 14.886 9.533 6.413 1.00 0.00 N ATOM 3194 CA MET B 92 15.434 9.198 5.065 1.00 0.00 C ATOM 3195 C MET B 92 16.790 8.436 5.096 1.00 0.00 C ATOM 3196 O MET B 92 17.874 9.023 4.972 1.00 0.00 O ATOM 3197 CB MET B 92 15.461 10.473 4.148 1.00 0.00 C ATOM 3198 CG MET B 92 16.470 11.585 4.537 1.00 0.00 C ATOM 3199 SD MET B 92 15.945 13.231 4.042 1.00 0.00 S ATOM 3200 CE MET B 92 15.621 12.998 2.304 1.00 0.00 C ATOM 0 H MET B 92 13.907 9.265 6.512 1.00 0.00 H new ATOM 0 HA MET B 92 14.747 8.479 4.619 1.00 0.00 H new ATOM 0 HB2 MET B 92 15.680 10.155 3.129 1.00 0.00 H new ATOM 0 HB3 MET B 92 14.461 10.908 4.139 1.00 0.00 H new ATOM 0 HG2 MET B 92 16.619 11.569 5.617 1.00 0.00 H new ATOM 0 HG3 MET B 92 17.435 11.366 4.079 1.00 0.00 H new ATOM 0 HE1 MET B 92 16.199 13.719 1.726 1.00 0.00 H new ATOM 0 HE2 MET B 92 15.907 11.987 2.013 1.00 0.00 H new ATOM 0 HE3 MET B 92 14.559 13.145 2.109 1.00 0.00 H new ATOM 3210 N LEU B 93 16.727 7.112 5.306 1.00 0.00 N ATOM 3211 CA LEU B 93 17.935 6.260 5.346 1.00 0.00 C ATOM 3212 C LEU B 93 17.946 5.286 4.147 1.00 0.00 C ATOM 3213 O LEU B 93 17.551 4.117 4.262 1.00 0.00 O ATOM 3214 CB LEU B 93 18.100 5.524 6.739 1.00 0.00 C ATOM 3215 CG LEU B 93 16.823 5.190 7.598 1.00 0.00 C ATOM 3216 CD1 LEU B 93 16.212 6.449 8.249 1.00 0.00 C ATOM 3217 CD2 LEU B 93 15.770 4.391 6.799 1.00 0.00 C ATOM 0 H LEU B 93 15.854 6.604 5.451 1.00 0.00 H new ATOM 0 HA LEU B 93 18.810 6.903 5.252 1.00 0.00 H new ATOM 0 HB2 LEU B 93 18.622 4.586 6.552 1.00 0.00 H new ATOM 0 HB3 LEU B 93 18.757 6.137 7.356 1.00 0.00 H new ATOM 0 HG LEU B 93 17.160 4.544 8.409 1.00 0.00 H new ATOM 0 HD11 LEU B 93 15.334 6.168 8.831 1.00 0.00 H new ATOM 0 HD12 LEU B 93 16.949 6.913 8.905 1.00 0.00 H new ATOM 0 HD13 LEU B 93 15.921 7.156 7.472 1.00 0.00 H new ATOM 0 HD21 LEU B 93 14.909 4.186 7.435 1.00 0.00 H new ATOM 0 HD22 LEU B 93 15.451 4.973 5.934 1.00 0.00 H new ATOM 0 HD23 LEU B 93 16.205 3.450 6.463 1.00 0.00 H new ATOM 3229 N GLN B 94 18.424 5.819 3.007 1.00 0.00 N ATOM 3230 CA GLN B 94 18.638 5.087 1.743 1.00 0.00 C ATOM 3231 C GLN B 94 19.149 6.113 0.711 1.00 0.00 C ATOM 3232 O GLN B 94 18.476 7.122 0.458 1.00 0.00 O ATOM 3233 CB GLN B 94 17.334 4.362 1.239 1.00 0.00 C ATOM 3234 CG GLN B 94 17.503 3.322 0.095 1.00 0.00 C ATOM 3235 CD GLN B 94 17.636 3.917 -1.304 1.00 0.00 C ATOM 3236 OE1 GLN B 94 17.122 4.996 -1.582 1.00 0.00 O ATOM 3237 NE2 GLN B 94 18.298 3.203 -2.203 1.00 0.00 N ATOM 0 H GLN B 94 18.681 6.804 2.937 1.00 0.00 H new ATOM 0 HA GLN B 94 19.367 4.291 1.894 1.00 0.00 H new ATOM 0 HB2 GLN B 94 16.876 3.858 2.090 1.00 0.00 H new ATOM 0 HB3 GLN B 94 16.631 5.124 0.903 1.00 0.00 H new ATOM 0 HG2 GLN B 94 18.386 2.717 0.302 1.00 0.00 H new ATOM 0 HG3 GLN B 94 16.646 2.649 0.107 1.00 0.00 H new ATOM 0 HE21 GLN B 94 18.714 2.310 -1.939 1.00 0.00 H new ATOM 0 HE22 GLN B 94 18.392 3.547 -3.159 1.00 0.00 H new ATOM 3246 N GLN B 95 20.349 5.875 0.164 1.00 0.00 N ATOM 3247 CA GLN B 95 20.932 6.705 -0.898 1.00 0.00 C ATOM 3248 C GLN B 95 20.271 6.337 -2.239 1.00 0.00 C ATOM 3249 O GLN B 95 20.394 5.181 -2.659 1.00 0.00 O ATOM 3250 CB GLN B 95 22.467 6.489 -0.953 1.00 0.00 C ATOM 3251 CG GLN B 95 23.188 6.806 0.381 1.00 0.00 C ATOM 3252 CD GLN B 95 24.709 6.616 0.328 1.00 0.00 C ATOM 3253 OE1 GLN B 95 25.225 5.779 -0.417 1.00 0.00 O ATOM 3254 NE2 GLN B 95 25.440 7.370 1.146 1.00 0.00 N ATOM 0 H GLN B 95 20.945 5.097 0.448 1.00 0.00 H new ATOM 0 HA GLN B 95 20.749 7.760 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN B 95 22.670 5.454 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN B 95 22.885 7.116 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN B 95 22.970 7.836 0.664 1.00 0.00 H new ATOM 0 HG3 GLN B 95 22.779 6.167 1.164 1.00 0.00 H new ATOM 0 HE21 GLN B 95 24.986 8.054 1.751 1.00 0.00 H new ATOM 0 HE22 GLN B 95 26.454 7.264 1.168 1.00 0.00 H new ATOM 3263 N PRO B 96 19.527 7.301 -2.901 1.00 0.00 N ATOM 3264 CA PRO B 96 18.803 7.061 -4.178 1.00 0.00 C ATOM 3265 C PRO B 96 19.625 6.244 -5.200 1.00 0.00 C ATOM 3266 O PRO B 96 20.653 6.711 -5.706 1.00 0.00 O ATOM 3267 CB PRO B 96 18.510 8.490 -4.688 1.00 0.00 C ATOM 3268 CG PRO B 96 18.348 9.298 -3.439 1.00 0.00 C ATOM 3269 CD PRO B 96 19.320 8.703 -2.433 1.00 0.00 C ATOM 0 HA PRO B 96 17.906 6.458 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO B 96 19.326 8.868 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO B 96 17.609 8.518 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO B 96 18.569 10.350 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO B 96 17.324 9.247 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO B 96 20.258 9.257 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO B 96 18.911 8.728 -1.423 1.00 0.00 H new ATOM 3277 N ALA B 97 19.176 5.006 -5.442 1.00 0.00 N ATOM 3278 CA ALA B 97 19.898 4.008 -6.242 1.00 0.00 C ATOM 3279 C ALA B 97 19.071 3.597 -7.460 1.00 0.00 C ATOM 3280 O ALA B 97 17.839 3.541 -7.389 1.00 0.00 O ATOM 3281 CB ALA B 97 20.208 2.794 -5.361 1.00 0.00 C ATOM 0 H ALA B 97 18.285 4.664 -5.081 1.00 0.00 H new ATOM 0 HA ALA B 97 20.832 4.438 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA B 97 20.744 2.047 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA B 97 20.824 3.105 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA B 97 19.276 2.365 -4.992 1.00 0.00 H new ATOM 3287 N LYS B 98 19.756 3.308 -8.573 1.00 0.00 N ATOM 3288 CA LYS B 98 19.109 2.910 -9.825 1.00 0.00 C ATOM 3289 C LYS B 98 18.619 1.445 -9.707 1.00 0.00 C ATOM 3290 O LYS B 98 19.406 0.505 -9.856 1.00 0.00 O ATOM 3291 CB LYS B 98 20.108 3.088 -11.025 1.00 0.00 C ATOM 3292 CG LYS B 98 19.564 3.852 -12.256 1.00 0.00 C ATOM 3293 CD LYS B 98 18.158 3.387 -12.682 1.00 0.00 C ATOM 3294 CE LYS B 98 17.787 3.850 -14.092 1.00 0.00 C ATOM 3295 NZ LYS B 98 17.838 5.324 -14.248 1.00 0.00 N ATOM 0 H LYS B 98 20.774 3.344 -8.629 1.00 0.00 H new ATOM 0 HA LYS B 98 18.245 3.546 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS B 98 20.993 3.610 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS B 98 20.433 2.100 -11.351 1.00 0.00 H new ATOM 0 HG2 LYS B 98 19.535 4.918 -12.031 1.00 0.00 H new ATOM 0 HG3 LYS B 98 20.252 3.721 -13.091 1.00 0.00 H new ATOM 0 HD2 LYS B 98 18.110 2.299 -12.637 1.00 0.00 H new ATOM 0 HD3 LYS B 98 17.423 3.768 -11.973 1.00 0.00 H new ATOM 0 HE2 LYS B 98 18.466 3.390 -14.810 1.00 0.00 H new ATOM 0 HE3 LYS B 98 16.783 3.499 -14.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 16.941 5.662 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 17.989 5.766 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 18.620 5.579 -14.884 1.00 0.00 H new ATOM 3309 N MET B 99 17.319 1.280 -9.411 1.00 0.00 N ATOM 3310 CA MET B 99 16.648 -0.042 -9.326 1.00 0.00 C ATOM 3311 C MET B 99 16.344 -0.557 -10.747 1.00 0.00 C ATOM 3312 O MET B 99 16.383 0.220 -11.714 1.00 0.00 O ATOM 3313 CB MET B 99 15.335 0.102 -8.485 1.00 0.00 C ATOM 3314 CG MET B 99 14.534 -1.184 -8.213 1.00 0.00 C ATOM 3315 SD MET B 99 15.464 -2.426 -7.294 1.00 0.00 S ATOM 3316 CE MET B 99 16.020 -1.480 -5.871 1.00 0.00 C ATOM 0 H MET B 99 16.693 2.063 -9.221 1.00 0.00 H new ATOM 0 HA MET B 99 17.299 -0.764 -8.833 1.00 0.00 H new ATOM 0 HB2 MET B 99 15.595 0.548 -7.525 1.00 0.00 H new ATOM 0 HB3 MET B 99 14.680 0.807 -8.997 1.00 0.00 H new ATOM 0 HG2 MET B 99 13.632 -0.930 -7.656 1.00 0.00 H new ATOM 0 HG3 MET B 99 14.213 -1.611 -9.163 1.00 0.00 H new ATOM 0 HE1 MET B 99 16.220 -2.156 -5.040 1.00 0.00 H new ATOM 0 HE2 MET B 99 16.932 -0.940 -6.127 1.00 0.00 H new ATOM 0 HE3 MET B 99 15.246 -0.769 -5.582 1.00 0.00 H new ATOM 3326 N GLU B 100 16.059 -1.866 -10.873 1.00 0.00 N ATOM 3327 CA GLU B 100 15.638 -2.484 -12.152 1.00 0.00 C ATOM 3328 C GLU B 100 14.326 -1.860 -12.687 1.00 0.00 C ATOM 3329 O GLU B 100 14.098 -1.831 -13.896 1.00 0.00 O ATOM 3330 CB GLU B 100 15.468 -4.014 -11.973 1.00 0.00 C ATOM 3331 CG GLU B 100 16.759 -4.752 -11.575 1.00 0.00 C ATOM 3332 CD GLU B 100 16.585 -6.279 -11.537 1.00 0.00 C ATOM 3333 OE1 GLU B 100 16.796 -6.939 -12.580 1.00 0.00 O ATOM 3334 OE2 GLU B 100 16.222 -6.826 -10.469 1.00 0.00 O ATOM 0 H GLU B 100 16.112 -2.526 -10.097 1.00 0.00 H new ATOM 0 HA GLU B 100 16.419 -2.290 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU B 100 14.709 -4.197 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU B 100 15.094 -4.438 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU B 100 17.549 -4.498 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU B 100 17.084 -4.403 -10.595 1.00 0.00 H new ATOM 3341 N PHE B 101 13.473 -1.370 -11.763 1.00 0.00 N ATOM 3342 CA PHE B 101 12.202 -0.676 -12.093 1.00 0.00 C ATOM 3343 C PHE B 101 12.362 0.860 -12.016 1.00 0.00 C ATOM 3344 O PHE B 101 11.373 1.605 -11.970 1.00 0.00 O ATOM 3345 CB PHE B 101 11.067 -1.198 -11.167 1.00 0.00 C ATOM 3346 CG PHE B 101 10.695 -2.656 -11.461 1.00 0.00 C ATOM 3347 CD1 PHE B 101 11.471 -3.708 -10.968 1.00 0.00 C ATOM 3348 CD2 PHE B 101 9.598 -2.968 -12.270 1.00 0.00 C ATOM 3349 CE1 PHE B 101 11.157 -5.018 -11.265 1.00 0.00 C ATOM 3350 CE2 PHE B 101 9.288 -4.280 -12.570 1.00 0.00 C ATOM 3351 CZ PHE B 101 10.068 -5.303 -12.069 1.00 0.00 C ATOM 0 H PHE B 101 13.644 -1.443 -10.760 1.00 0.00 H new ATOM 0 HA PHE B 101 11.929 -0.902 -13.124 1.00 0.00 H new ATOM 0 HB2 PHE B 101 11.381 -1.109 -10.127 1.00 0.00 H new ATOM 0 HB3 PHE B 101 10.185 -0.569 -11.289 1.00 0.00 H new ATOM 0 HD1 PHE B 101 12.328 -3.493 -10.346 1.00 0.00 H new ATOM 0 HD2 PHE B 101 8.985 -2.172 -12.666 1.00 0.00 H new ATOM 0 HE1 PHE B 101 11.761 -5.821 -10.870 1.00 0.00 H new ATOM 0 HE2 PHE B 101 8.437 -4.505 -13.195 1.00 0.00 H new ATOM 0 HZ PHE B 101 9.827 -6.329 -12.305 1.00 0.00 H new ATOM 3361 N GLY B 102 13.624 1.321 -11.988 1.00 0.00 N ATOM 3362 CA GLY B 102 13.957 2.731 -12.185 1.00 0.00 C ATOM 3363 C GLY B 102 14.666 3.359 -10.995 1.00 0.00 C ATOM 3364 O GLY B 102 14.869 2.705 -9.981 1.00 0.00 O ATOM 0 H GLY B 102 14.435 0.724 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY B 102 14.590 2.827 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY B 102 13.042 3.287 -12.388 1.00 0.00 H new ATOM 3368 N TYR B 103 15.005 4.650 -11.103 1.00 0.00 N ATOM 3369 CA TYR B 103 15.836 5.338 -10.103 1.00 0.00 C ATOM 3370 C TYR B 103 15.011 5.591 -8.824 1.00 0.00 C ATOM 3371 O TYR B 103 14.198 6.513 -8.791 1.00 0.00 O ATOM 3372 CB TYR B 103 16.365 6.667 -10.691 1.00 0.00 C ATOM 3373 CG TYR B 103 17.482 7.289 -9.857 1.00 0.00 C ATOM 3374 CD1 TYR B 103 18.712 6.653 -9.778 1.00 0.00 C ATOM 3375 CD2 TYR B 103 17.315 8.487 -9.158 1.00 0.00 C ATOM 3376 CE1 TYR B 103 19.737 7.175 -9.046 1.00 0.00 C ATOM 3377 CE2 TYR B 103 18.348 9.022 -8.421 1.00 0.00 C ATOM 3378 CZ TYR B 103 19.559 8.361 -8.367 1.00 0.00 C ATOM 3379 OH TYR B 103 20.600 8.886 -7.637 1.00 0.00 O ATOM 0 H TYR B 103 14.714 5.244 -11.879 1.00 0.00 H new ATOM 0 HA TYR B 103 16.690 4.712 -9.843 1.00 0.00 H new ATOM 0 HB2 TYR B 103 16.731 6.490 -11.702 1.00 0.00 H new ATOM 0 HB3 TYR B 103 15.541 7.376 -10.770 1.00 0.00 H new ATOM 0 HD1 TYR B 103 18.861 5.724 -10.308 1.00 0.00 H new ATOM 0 HD2 TYR B 103 16.365 8.999 -9.196 1.00 0.00 H new ATOM 0 HE1 TYR B 103 20.685 6.661 -8.998 1.00 0.00 H new ATOM 0 HE2 TYR B 103 18.212 9.952 -7.889 1.00 0.00 H new ATOM 0 HH TYR B 103 20.807 8.290 -6.887 1.00 0.00 H new ATOM 3389 N THR B 104 15.238 4.776 -7.775 1.00 0.00 N ATOM 3390 CA THR B 104 14.374 4.744 -6.580 1.00 0.00 C ATOM 3391 C THR B 104 15.084 5.339 -5.356 1.00 0.00 C ATOM 3392 O THR B 104 16.312 5.409 -5.297 1.00 0.00 O ATOM 3393 CB THR B 104 13.891 3.278 -6.252 1.00 0.00 C ATOM 3394 OG1 THR B 104 12.782 3.315 -5.326 1.00 0.00 O ATOM 3395 CG2 THR B 104 15.013 2.392 -5.658 1.00 0.00 C ATOM 0 H THR B 104 16.022 4.125 -7.733 1.00 0.00 H new ATOM 0 HA THR B 104 13.501 5.355 -6.809 1.00 0.00 H new ATOM 0 HB THR B 104 13.585 2.834 -7.200 1.00 0.00 H new ATOM 0 HG1 THR B 104 12.489 2.401 -5.130 1.00 0.00 H new ATOM 0 HG21 THR B 104 14.620 1.396 -5.453 1.00 0.00 H new ATOM 0 HG22 THR B 104 15.834 2.319 -6.371 1.00 0.00 H new ATOM 0 HG23 THR B 104 15.375 2.837 -4.731 1.00 0.00 H new ATOM 3403 N PHE B 105 14.267 5.760 -4.394 1.00 0.00 N ATOM 3404 CA PHE B 105 14.688 6.294 -3.097 1.00 0.00 C ATOM 3405 C PHE B 105 13.683 5.835 -2.029 1.00 0.00 C ATOM 3406 O PHE B 105 12.501 5.736 -2.338 1.00 0.00 O ATOM 3407 CB PHE B 105 14.789 7.853 -3.200 1.00 0.00 C ATOM 3408 CG PHE B 105 14.651 8.648 -1.894 1.00 0.00 C ATOM 3409 CD1 PHE B 105 15.491 8.417 -0.800 1.00 0.00 C ATOM 3410 CD2 PHE B 105 13.659 9.621 -1.767 1.00 0.00 C ATOM 3411 CE1 PHE B 105 15.335 9.136 0.369 1.00 0.00 C ATOM 3412 CE2 PHE B 105 13.507 10.337 -0.605 1.00 0.00 C ATOM 3413 CZ PHE B 105 14.341 10.092 0.467 1.00 0.00 C ATOM 0 H PHE B 105 13.253 5.739 -4.499 1.00 0.00 H new ATOM 0 HA PHE B 105 15.671 5.921 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE B 105 15.751 8.101 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE B 105 14.018 8.198 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE B 105 16.268 7.670 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE B 105 12.998 9.815 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE B 105 15.990 8.951 1.207 1.00 0.00 H new ATOM 0 HE2 PHE B 105 12.737 11.090 -0.530 1.00 0.00 H new ATOM 0 HZ PHE B 105 14.217 10.648 1.384 1.00 0.00 H new ATOM 3423 N THR B 106 14.128 5.498 -0.807 1.00 0.00 N ATOM 3424 CA THR B 106 13.200 5.062 0.265 1.00 0.00 C ATOM 3425 C THR B 106 13.516 5.789 1.581 1.00 0.00 C ATOM 3426 O THR B 106 14.632 5.714 2.097 1.00 0.00 O ATOM 3427 CB THR B 106 13.261 3.520 0.468 1.00 0.00 C ATOM 3428 OG1 THR B 106 13.298 2.894 -0.815 1.00 0.00 O ATOM 3429 CG2 THR B 106 12.058 2.971 1.276 1.00 0.00 C ATOM 0 H THR B 106 15.110 5.516 -0.533 1.00 0.00 H new ATOM 0 HA THR B 106 12.187 5.322 -0.043 1.00 0.00 H new ATOM 0 HB THR B 106 14.158 3.295 1.045 1.00 0.00 H new ATOM 0 HG1 THR B 106 13.762 2.033 -0.746 1.00 0.00 H new ATOM 0 HG21 THR B 106 12.156 1.891 1.385 1.00 0.00 H new ATOM 0 HG22 THR B 106 12.040 3.435 2.262 1.00 0.00 H new ATOM 0 HG23 THR B 106 11.131 3.200 0.750 1.00 0.00 H new ATOM 3437 N ALA B 107 12.520 6.493 2.103 1.00 0.00 N ATOM 3438 CA ALA B 107 12.638 7.308 3.309 1.00 0.00 C ATOM 3439 C ALA B 107 11.901 6.683 4.504 1.00 0.00 C ATOM 3440 O ALA B 107 10.910 5.970 4.334 1.00 0.00 O ATOM 3441 CB ALA B 107 12.086 8.707 3.015 1.00 0.00 C ATOM 0 H ALA B 107 11.587 6.515 1.692 1.00 0.00 H new ATOM 0 HA ALA B 107 13.691 7.367 3.584 1.00 0.00 H new ATOM 0 HB1 ALA B 107 12.168 9.326 3.908 1.00 0.00 H new ATOM 0 HB2 ALA B 107 12.657 9.161 2.205 1.00 0.00 H new ATOM 0 HB3 ALA B 107 11.039 8.631 2.722 1.00 0.00 H new ATOM 3447 N ALA B 108 12.414 6.955 5.703 1.00 0.00 N ATOM 3448 CA ALA B 108 11.705 6.730 6.978 1.00 0.00 C ATOM 3449 C ALA B 108 11.531 8.091 7.666 1.00 0.00 C ATOM 3450 O ALA B 108 12.086 9.080 7.201 1.00 0.00 O ATOM 3451 CB ALA B 108 12.472 5.745 7.875 1.00 0.00 C ATOM 0 H ALA B 108 13.349 7.344 5.826 1.00 0.00 H new ATOM 0 HA ALA B 108 10.730 6.281 6.789 1.00 0.00 H new ATOM 0 HB1 ALA B 108 11.925 5.600 8.807 1.00 0.00 H new ATOM 0 HB2 ALA B 108 12.574 4.789 7.361 1.00 0.00 H new ATOM 0 HB3 ALA B 108 13.461 6.147 8.094 1.00 0.00 H new ATOM 3457 N ASP B 109 10.762 8.150 8.749 1.00 0.00 N ATOM 3458 CA ASP B 109 10.494 9.415 9.475 1.00 0.00 C ATOM 3459 C ASP B 109 10.460 9.115 10.999 1.00 0.00 C ATOM 3460 O ASP B 109 10.775 7.982 11.379 1.00 0.00 O ATOM 3461 CB ASP B 109 9.153 10.021 8.937 1.00 0.00 C ATOM 3462 CG ASP B 109 7.888 9.368 9.527 1.00 0.00 C ATOM 3463 OD1 ASP B 109 7.736 8.146 9.385 1.00 0.00 O ATOM 3464 OD2 ASP B 109 7.062 10.067 10.158 1.00 0.00 O ATOM 0 H ASP B 109 10.304 7.335 9.157 1.00 0.00 H new ATOM 0 HA ASP B 109 11.277 10.155 9.309 1.00 0.00 H new ATOM 0 HB2 ASP B 109 9.135 11.088 9.157 1.00 0.00 H new ATOM 0 HB3 ASP B 109 9.130 9.919 7.852 1.00 0.00 H new ATOM 3469 N PRO B 110 10.160 10.121 11.907 1.00 0.00 N ATOM 3470 CA PRO B 110 9.833 9.861 13.339 1.00 0.00 C ATOM 3471 C PRO B 110 8.982 8.581 13.582 1.00 0.00 C ATOM 3472 O PRO B 110 9.381 7.702 14.356 1.00 0.00 O ATOM 3473 CB PRO B 110 9.053 11.140 13.729 1.00 0.00 C ATOM 3474 CG PRO B 110 9.736 12.235 12.954 1.00 0.00 C ATOM 3475 CD PRO B 110 10.221 11.602 11.655 1.00 0.00 C ATOM 0 HA PRO B 110 10.727 9.670 13.932 1.00 0.00 H new ATOM 0 HB2 PRO B 110 7.999 11.061 13.463 1.00 0.00 H new ATOM 0 HB3 PRO B 110 9.098 11.323 14.803 1.00 0.00 H new ATOM 0 HG2 PRO B 110 9.048 13.056 12.753 1.00 0.00 H new ATOM 0 HG3 PRO B 110 10.570 12.649 13.520 1.00 0.00 H new ATOM 0 HD2 PRO B 110 9.588 11.887 10.815 1.00 0.00 H new ATOM 0 HD3 PRO B 110 11.235 11.921 11.413 1.00 0.00 H new ATOM 3483 N ASP B 111 7.847 8.457 12.861 1.00 0.00 N ATOM 3484 CA ASP B 111 6.886 7.336 13.052 1.00 0.00 C ATOM 3485 C ASP B 111 7.398 6.022 12.399 1.00 0.00 C ATOM 3486 O ASP B 111 6.865 4.937 12.670 1.00 0.00 O ATOM 3487 CB ASP B 111 5.491 7.716 12.485 1.00 0.00 C ATOM 3488 CG ASP B 111 4.361 6.807 13.016 1.00 0.00 C ATOM 3489 OD1 ASP B 111 3.817 7.090 14.103 1.00 0.00 O ATOM 3490 OD2 ASP B 111 4.027 5.796 12.361 1.00 0.00 O ATOM 0 H ASP B 111 7.568 9.119 12.137 1.00 0.00 H new ATOM 0 HA ASP B 111 6.796 7.158 14.124 1.00 0.00 H new ATOM 0 HB2 ASP B 111 5.269 8.752 12.742 1.00 0.00 H new ATOM 0 HB3 ASP B 111 5.518 7.657 11.397 1.00 0.00 H new ATOM 3495 N SER B 112 8.429 6.150 11.537 1.00 0.00 N ATOM 3496 CA SER B 112 9.137 5.024 10.893 1.00 0.00 C ATOM 3497 C SER B 112 8.256 4.359 9.817 1.00 0.00 C ATOM 3498 O SER B 112 8.043 3.135 9.813 1.00 0.00 O ATOM 3499 CB SER B 112 9.668 4.004 11.944 1.00 0.00 C ATOM 3500 OG SER B 112 10.410 4.665 12.960 1.00 0.00 O ATOM 0 H SER B 112 8.800 7.060 11.264 1.00 0.00 H new ATOM 0 HA SER B 112 10.014 5.424 10.384 1.00 0.00 H new ATOM 0 HB2 SER B 112 8.831 3.466 12.390 1.00 0.00 H new ATOM 0 HB3 SER B 112 10.297 3.263 11.452 1.00 0.00 H new ATOM 0 HG SER B 112 10.733 4.007 13.610 1.00 0.00 H new ATOM 3506 N HIS B 113 7.744 5.207 8.908 1.00 0.00 N ATOM 3507 CA HIS B 113 7.023 4.778 7.698 1.00 0.00 C ATOM 3508 C HIS B 113 8.046 4.354 6.624 1.00 0.00 C ATOM 3509 O HIS B 113 9.260 4.482 6.814 1.00 0.00 O ATOM 3510 CB HIS B 113 6.111 5.916 7.130 1.00 0.00 C ATOM 3511 CG HIS B 113 5.193 6.584 8.126 1.00 0.00 C ATOM 3512 ND1 HIS B 113 5.031 7.952 8.197 1.00 0.00 N ATOM 3513 CD2 HIS B 113 4.393 6.075 9.084 1.00 0.00 C ATOM 3514 CE1 HIS B 113 4.181 8.247 9.157 1.00 0.00 C ATOM 3515 NE2 HIS B 113 3.776 7.128 9.710 1.00 0.00 N ATOM 0 H HIS B 113 7.820 6.220 8.994 1.00 0.00 H new ATOM 0 HA HIS B 113 6.380 3.939 7.966 1.00 0.00 H new ATOM 0 HB2 HIS B 113 6.750 6.679 6.685 1.00 0.00 H new ATOM 0 HB3 HIS B 113 5.503 5.501 6.326 1.00 0.00 H new ATOM 0 HD1 HIS B 113 5.499 8.631 7.597 1.00 0.00 H new ATOM 0 HD2 HIS B 113 4.262 5.029 9.316 1.00 0.00 H new ATOM 0 HE1 HIS B 113 3.870 9.241 9.442 1.00 0.00 H new ATOM 3524 N ARG B 114 7.539 3.864 5.494 1.00 0.00 N ATOM 3525 CA ARG B 114 8.349 3.495 4.326 1.00 0.00 C ATOM 3526 C ARG B 114 7.783 4.258 3.121 1.00 0.00 C ATOM 3527 O ARG B 114 6.699 3.949 2.624 1.00 0.00 O ATOM 3528 CB ARG B 114 8.370 1.943 4.111 1.00 0.00 C ATOM 3529 CG ARG B 114 7.049 1.196 4.455 1.00 0.00 C ATOM 3530 CD ARG B 114 6.823 0.947 5.972 1.00 0.00 C ATOM 3531 NE ARG B 114 5.465 1.316 6.437 1.00 0.00 N ATOM 3532 CZ ARG B 114 5.156 1.648 7.710 1.00 0.00 C ATOM 3533 NH1 ARG B 114 6.074 1.610 8.670 1.00 0.00 N ATOM 3534 NH2 ARG B 114 3.923 2.023 8.015 1.00 0.00 N ATOM 0 H ARG B 114 6.540 3.709 5.358 1.00 0.00 H new ATOM 0 HA ARG B 114 9.393 3.773 4.472 1.00 0.00 H new ATOM 0 HB2 ARG B 114 8.618 1.742 3.069 1.00 0.00 H new ATOM 0 HB3 ARG B 114 9.172 1.522 4.717 1.00 0.00 H new ATOM 0 HG2 ARG B 114 6.209 1.772 4.066 1.00 0.00 H new ATOM 0 HG3 ARG B 114 7.044 0.236 3.938 1.00 0.00 H new ATOM 0 HD2 ARG B 114 6.999 -0.107 6.189 1.00 0.00 H new ATOM 0 HD3 ARG B 114 7.560 1.516 6.539 1.00 0.00 H new ATOM 0 HE ARG B 114 4.712 1.320 5.749 1.00 0.00 H new ATOM 0 HH11 ARG B 114 7.029 1.327 8.451 1.00 0.00 H new ATOM 0 HH12 ARG B 114 5.823 1.864 9.626 1.00 0.00 H new ATOM 0 HH21 ARG B 114 3.207 2.061 7.289 1.00 0.00 H new ATOM 0 HH22 ARG B 114 3.689 2.274 8.976 1.00 0.00 H new ATOM 3548 N LEU B 115 8.506 5.310 2.717 1.00 0.00 N ATOM 3549 CA LEU B 115 8.056 6.286 1.717 1.00 0.00 C ATOM 3550 C LEU B 115 9.006 6.253 0.510 1.00 0.00 C ATOM 3551 O LEU B 115 10.114 6.777 0.579 1.00 0.00 O ATOM 3552 CB LEU B 115 8.060 7.701 2.355 1.00 0.00 C ATOM 3553 CG LEU B 115 7.298 7.860 3.705 1.00 0.00 C ATOM 3554 CD1 LEU B 115 7.582 9.238 4.334 1.00 0.00 C ATOM 3555 CD2 LEU B 115 5.781 7.614 3.528 1.00 0.00 C ATOM 0 H LEU B 115 9.437 5.510 3.083 1.00 0.00 H new ATOM 0 HA LEU B 115 7.048 6.041 1.384 1.00 0.00 H new ATOM 0 HB2 LEU B 115 9.096 8.001 2.511 1.00 0.00 H new ATOM 0 HB3 LEU B 115 7.630 8.400 1.637 1.00 0.00 H new ATOM 0 HG LEU B 115 7.667 7.099 4.393 1.00 0.00 H new ATOM 0 HD11 LEU B 115 7.040 9.327 5.275 1.00 0.00 H new ATOM 0 HD12 LEU B 115 8.651 9.340 4.520 1.00 0.00 H new ATOM 0 HD13 LEU B 115 7.256 10.023 3.652 1.00 0.00 H new ATOM 0 HD21 LEU B 115 5.279 7.733 4.488 1.00 0.00 H new ATOM 0 HD22 LEU B 115 5.376 8.333 2.816 1.00 0.00 H new ATOM 0 HD23 LEU B 115 5.617 6.603 3.155 1.00 0.00 H new ATOM 3567 N ARG B 116 8.568 5.633 -0.582 1.00 0.00 N ATOM 3568 CA ARG B 116 9.373 5.497 -1.805 1.00 0.00 C ATOM 3569 C ARG B 116 9.196 6.716 -2.714 1.00 0.00 C ATOM 3570 O ARG B 116 8.132 7.306 -2.722 1.00 0.00 O ATOM 3571 CB ARG B 116 9.018 4.191 -2.550 1.00 0.00 C ATOM 3572 CG ARG B 116 9.409 2.930 -1.764 1.00 0.00 C ATOM 3573 CD ARG B 116 9.373 1.651 -2.613 1.00 0.00 C ATOM 3574 NE ARG B 116 10.106 0.570 -1.946 1.00 0.00 N ATOM 3575 CZ ARG B 116 11.437 0.523 -1.816 1.00 0.00 C ATOM 3576 NH1 ARG B 116 12.230 1.257 -2.594 1.00 0.00 N ATOM 3577 NH2 ARG B 116 11.971 -0.307 -0.955 1.00 0.00 N ATOM 0 H ARG B 116 7.643 5.208 -0.650 1.00 0.00 H new ATOM 0 HA ARG B 116 10.423 5.446 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG B 116 7.946 4.172 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG B 116 9.522 4.181 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG B 116 10.412 3.060 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG B 116 8.734 2.814 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG B 116 8.339 1.348 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG B 116 9.811 1.845 -3.592 1.00 0.00 H new ATOM 0 HE ARG B 116 9.563 -0.200 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG B 116 11.825 1.868 -3.303 1.00 0.00 H new ATOM 0 HH12 ARG B 116 13.243 1.208 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG B 116 11.373 -0.911 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG B 116 12.985 -0.350 -0.849 1.00 0.00 H new ATOM 3591 N VAL B 117 10.242 7.100 -3.448 1.00 0.00 N ATOM 3592 CA VAL B 117 10.140 8.003 -4.610 1.00 0.00 C ATOM 3593 C VAL B 117 10.964 7.368 -5.716 1.00 0.00 C ATOM 3594 O VAL B 117 12.169 7.180 -5.537 1.00 0.00 O ATOM 3595 CB VAL B 117 10.696 9.456 -4.348 1.00 0.00 C ATOM 3596 CG1 VAL B 117 10.367 10.405 -5.534 1.00 0.00 C ATOM 3597 CG2 VAL B 117 10.175 10.027 -3.024 1.00 0.00 C ATOM 0 H VAL B 117 11.196 6.793 -3.256 1.00 0.00 H new ATOM 0 HA VAL B 117 9.085 8.123 -4.857 1.00 0.00 H new ATOM 0 HB VAL B 117 11.781 9.382 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL B 117 10.762 11.399 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL B 117 10.821 10.018 -6.446 1.00 0.00 H new ATOM 0 HG13 VAL B 117 9.286 10.464 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL B 117 10.578 11.029 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL B 117 9.086 10.074 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL B 117 10.490 9.384 -2.202 1.00 0.00 H new ATOM 3607 N TYR B 118 10.349 7.021 -6.849 1.00 0.00 N ATOM 3608 CA TYR B 118 11.085 6.354 -7.941 1.00 0.00 C ATOM 3609 C TYR B 118 10.917 7.117 -9.258 1.00 0.00 C ATOM 3610 O TYR B 118 9.993 7.923 -9.393 1.00 0.00 O ATOM 3611 CB TYR B 118 10.705 4.854 -8.073 1.00 0.00 C ATOM 3612 CG TYR B 118 9.351 4.605 -8.724 1.00 0.00 C ATOM 3613 CD1 TYR B 118 8.172 4.925 -8.056 1.00 0.00 C ATOM 3614 CD2 TYR B 118 9.255 4.072 -10.014 1.00 0.00 C ATOM 3615 CE1 TYR B 118 6.953 4.723 -8.648 1.00 0.00 C ATOM 3616 CE2 TYR B 118 8.031 3.870 -10.605 1.00 0.00 C ATOM 3617 CZ TYR B 118 6.883 4.196 -9.920 1.00 0.00 C ATOM 3618 OH TYR B 118 5.656 3.982 -10.507 1.00 0.00 O ATOM 0 H TYR B 118 9.360 7.184 -7.039 1.00 0.00 H new ATOM 0 HA TYR B 118 12.145 6.374 -7.686 1.00 0.00 H new ATOM 0 HB2 TYR B 118 11.474 4.346 -8.656 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.707 4.402 -7.081 1.00 0.00 H new ATOM 0 HD1 TYR B 118 8.219 5.337 -7.059 1.00 0.00 H new ATOM 0 HD2 TYR B 118 10.155 3.816 -10.553 1.00 0.00 H new ATOM 0 HE1 TYR B 118 6.047 4.977 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.970 3.458 -11.601 1.00 0.00 H new ATOM 0 HH TYR B 118 5.146 3.338 -9.973 1.00 0.00 H new ATOM 3628 N ALA B 119 11.762 6.808 -10.230 1.00 0.00 N ATOM 3629 CA ALA B 119 11.650 7.311 -11.598 1.00 0.00 C ATOM 3630 C ALA B 119 11.720 6.111 -12.526 1.00 0.00 C ATOM 3631 O ALA B 119 12.774 5.499 -12.619 1.00 0.00 O ATOM 3632 CB ALA B 119 12.804 8.279 -11.887 1.00 0.00 C ATOM 0 H ALA B 119 12.561 6.189 -10.091 1.00 0.00 H new ATOM 0 HA ALA B 119 10.714 7.849 -11.744 1.00 0.00 H new ATOM 0 HB1 ALA B 119 12.719 8.653 -12.907 1.00 0.00 H new ATOM 0 HB2 ALA B 119 12.761 9.115 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA B 119 13.754 7.758 -11.770 1.00 0.00 H new ATOM 3638 N PHE B 120 10.613 5.762 -13.201 1.00 0.00 N ATOM 3639 CA PHE B 120 10.546 4.517 -13.983 1.00 0.00 C ATOM 3640 C PHE B 120 11.383 4.641 -15.265 1.00 0.00 C ATOM 3641 O PHE B 120 11.127 5.509 -16.117 1.00 0.00 O ATOM 3642 CB PHE B 120 9.088 4.110 -14.331 1.00 0.00 C ATOM 3643 CG PHE B 120 8.998 2.704 -14.946 1.00 0.00 C ATOM 3644 CD1 PHE B 120 9.063 1.574 -14.131 1.00 0.00 C ATOM 3645 CD2 PHE B 120 8.883 2.508 -16.328 1.00 0.00 C ATOM 3646 CE1 PHE B 120 9.015 0.306 -14.668 1.00 0.00 C ATOM 3647 CE2 PHE B 120 8.830 1.233 -16.860 1.00 0.00 C ATOM 3648 CZ PHE B 120 8.897 0.133 -16.031 1.00 0.00 C ATOM 0 H PHE B 120 9.759 6.319 -13.221 1.00 0.00 H new ATOM 0 HA PHE B 120 10.960 3.727 -13.356 1.00 0.00 H new ATOM 0 HB2 PHE B 120 8.479 4.147 -13.428 1.00 0.00 H new ATOM 0 HB3 PHE B 120 8.669 4.835 -15.028 1.00 0.00 H new ATOM 0 HD1 PHE B 120 9.152 1.695 -13.062 1.00 0.00 H new ATOM 0 HD2 PHE B 120 8.835 3.363 -16.986 1.00 0.00 H new ATOM 0 HE1 PHE B 120 9.070 -0.556 -14.019 1.00 0.00 H new ATOM 0 HE2 PHE B 120 8.736 1.098 -17.927 1.00 0.00 H new ATOM 0 HZ PHE B 120 8.857 -0.862 -16.449 1.00 0.00 H new ATOM 3658 N ALA B 121 12.386 3.759 -15.355 1.00 0.00 N ATOM 3659 CA ALA B 121 13.253 3.611 -16.515 1.00 0.00 C ATOM 3660 C ALA B 121 12.690 2.511 -17.421 1.00 0.00 C ATOM 3661 O ALA B 121 12.662 1.335 -17.030 1.00 0.00 O ATOM 3662 CB ALA B 121 14.677 3.277 -16.055 1.00 0.00 C ATOM 0 H ALA B 121 12.617 3.114 -14.599 1.00 0.00 H new ATOM 0 HA ALA B 121 13.291 4.543 -17.080 1.00 0.00 H new ATOM 0 HB1 ALA B 121 15.324 3.167 -16.925 1.00 0.00 H new ATOM 0 HB2 ALA B 121 15.053 4.081 -15.423 1.00 0.00 H new ATOM 0 HB3 ALA B 121 14.668 2.345 -15.490 1.00 0.00 H new ATOM 3668 N GLY B 122 12.200 2.911 -18.600 1.00 0.00 N ATOM 3669 CA GLY B 122 11.656 1.975 -19.583 1.00 0.00 C ATOM 3670 C GLY B 122 10.819 2.680 -20.647 1.00 0.00 C ATOM 3671 O GLY B 122 10.191 3.708 -20.327 1.00 0.00 O ATOM 3672 OXT GLY B 122 10.774 2.213 -21.805 1.00 0.00 O ATOM 0 H GLY B 122 12.171 3.887 -18.896 1.00 0.00 H new ATOM 0 HA2 GLY B 122 12.474 1.438 -20.063 1.00 0.00 H new ATOM 0 HA3 GLY B 122 11.043 1.232 -19.074 1.00 0.00 H new TER 3676 GLY B 122