USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 754 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 97 HIS :FLIP no HD1:sc= -0.102 F(o=-3.9,f=-3.3) USER MOD Set 1.2: A 99 TYR OH : rot 0:sc= -3.23 USER MOD Set 2.1: A 73 MET CE :methyl -124:sc= -1.16 (180deg=-3.41!) USER MOD Set 2.2: A 75 SER OG : rot 130:sc= -0.506 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 MET CE :methyl -128:sc= -0.0131 (180deg=-0.228) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0367 F(o=-1.7,f=-0.037) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 1.81 (180deg=1.49) USER MOD Single : A 28 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.29) USER MOD Single : A 29 THR OG1 : rot -142:sc= -0.956 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.323 (180deg=-1.89!) USER MOD Single : A 39 ASN : amide:sc= -6.56! C(o=-6.6!,f=-7.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 164:sc= -0.254 (180deg=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= -1.7 (180deg=-3.06) USER MOD Single : A 49 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.84) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0259 (180deg=-0.312) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 68 HIS : no HD1:sc= -0.0948 K(o=-0.095,f=-1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 160:sc= -0.178 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00132 X(o=-0.0013,f=0) USER MOD Single : A 84 TYR OH : rot 30:sc= -1.41 USER MOD Single : A 85 THR OG1 : rot 48:sc= 1.2 USER MOD Single : A 90 ASN : amide:sc= -10.4! C(o=-10!,f=-20!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.195 F(o=-0.91,f=-0.19) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 0.106 21.674 -3.797 1.00 0.76 N ATOM 16 CA ASN A 5 0.772 21.270 -2.565 1.00 0.53 C ATOM 17 C ASN A 5 0.288 19.882 -2.136 1.00 0.49 C ATOM 18 O ASN A 5 -0.030 19.049 -2.983 1.00 0.60 O ATOM 19 CB ASN A 5 0.505 22.307 -1.468 1.00 0.52 C ATOM 20 CG ASN A 5 0.550 23.729 -1.991 1.00 0.63 C ATOM 21 OD1 ASN A 5 -0.412 24.485 -1.849 1.00 1.19 O ATOM 22 ND2 ASN A 5 1.669 24.100 -2.602 1.00 1.41 N ATOM 0 HA ASN A 5 1.847 21.216 -2.736 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -0.472 22.118 -1.023 1.00 0.52 H new ATOM 0 HB3 ASN A 5 1.244 22.191 -0.675 1.00 0.52 H new ATOM 0 HD21 ASN A 5 1.757 25.045 -2.976 1.00 1.41 H new ATOM 0 HD22 ASN A 5 2.441 23.440 -2.697 1.00 1.41 H new ATOM 29 N LYS A 6 0.218 19.630 -0.828 1.00 0.45 N ATOM 30 CA LYS A 6 -0.247 18.338 -0.333 1.00 0.49 C ATOM 31 C LYS A 6 -1.723 18.416 0.037 1.00 0.49 C ATOM 32 O LYS A 6 -2.108 19.156 0.941 1.00 0.56 O ATOM 33 CB LYS A 6 0.576 17.862 0.873 1.00 0.64 C ATOM 34 CG LYS A 6 1.329 18.967 1.602 1.00 1.28 C ATOM 35 CD LYS A 6 2.518 19.452 0.788 1.00 1.76 C ATOM 36 CE LYS A 6 3.829 19.207 1.518 1.00 2.52 C ATOM 37 NZ LYS A 6 4.884 20.172 1.105 1.00 3.06 N ATOM 0 H LYS A 6 0.475 20.297 -0.101 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.114 17.610 -1.134 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.091 17.368 1.579 1.00 0.64 H new ATOM 0 HB3 LYS A 6 1.293 17.114 0.535 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.655 19.801 1.799 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.673 18.600 2.569 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.535 18.940 -0.174 1.00 1.76 H new ATOM 0 HD3 LYS A 6 2.409 20.517 0.581 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.666 19.286 2.593 1.00 2.52 H new ATOM 0 HE3 LYS A 6 4.170 18.191 1.321 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 5.762 19.971 1.626 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 5.058 20.080 0.084 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 4.570 21.141 1.316 1.00 3.06 H new ATOM 51 N ARG A 7 -2.542 17.652 -0.675 1.00 0.50 N ATOM 52 CA ARG A 7 -3.980 17.636 -0.431 1.00 0.52 C ATOM 53 C ARG A 7 -4.526 16.212 -0.482 1.00 0.47 C ATOM 54 O ARG A 7 -4.340 15.497 -1.472 1.00 0.43 O ATOM 55 CB ARG A 7 -4.704 18.521 -1.448 1.00 0.57 C ATOM 56 CG ARG A 7 -4.752 19.986 -1.050 1.00 0.77 C ATOM 57 CD ARG A 7 -3.524 20.739 -1.539 1.00 0.64 C ATOM 58 NE ARG A 7 -3.763 22.177 -1.634 1.00 0.98 N ATOM 59 CZ ARG A 7 -3.848 22.979 -0.579 1.00 1.66 C ATOM 60 NH1 ARG A 7 -3.722 22.483 0.644 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.059 24.278 -0.746 1.00 2.11 N ATOM 0 H ARG A 7 -2.235 17.035 -1.427 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.159 18.033 0.568 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.208 18.431 -2.414 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -5.722 18.154 -1.577 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -5.650 20.446 -1.462 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -4.821 20.067 0.035 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -2.692 20.554 -0.860 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.229 20.356 -2.516 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.870 22.588 -2.562 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -3.560 21.485 0.775 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -3.787 23.100 1.454 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.156 24.662 -1.686 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -4.124 24.893 0.065 1.00 2.11 H new ATOM 75 N ALA A 8 -5.195 15.817 0.602 1.00 0.50 N ATOM 76 CA ALA A 8 -5.777 14.481 0.732 1.00 0.47 C ATOM 77 C ALA A 8 -6.336 13.952 -0.590 1.00 0.44 C ATOM 78 O ALA A 8 -7.117 14.631 -1.258 1.00 0.56 O ATOM 79 CB ALA A 8 -6.871 14.493 1.790 1.00 0.54 C ATOM 0 H ALA A 8 -5.349 16.414 1.414 1.00 0.50 H new ATOM 0 HA ALA A 8 -4.974 13.808 1.034 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.300 13.495 1.881 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.448 14.795 2.748 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -7.650 15.198 1.500 1.00 0.54 H new ATOM 85 N PRO A 9 -5.948 12.725 -0.982 1.00 0.36 N ATOM 86 CA PRO A 9 -6.412 12.101 -2.212 1.00 0.37 C ATOM 87 C PRO A 9 -7.680 11.281 -1.998 1.00 0.37 C ATOM 88 O PRO A 9 -7.746 10.449 -1.094 1.00 0.40 O ATOM 89 CB PRO A 9 -5.241 11.193 -2.579 1.00 0.39 C ATOM 90 CG PRO A 9 -4.641 10.787 -1.270 1.00 0.51 C ATOM 91 CD PRO A 9 -5.025 11.838 -0.252 1.00 0.41 C ATOM 0 HA PRO A 9 -6.675 12.827 -2.981 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.577 10.325 -3.145 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.515 11.717 -3.200 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -5.008 9.807 -0.967 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.557 10.710 -1.352 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.506 11.393 0.619 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.152 12.381 0.109 1.00 0.41 H new ATOM 99 N TYR A 10 -8.685 11.517 -2.837 1.00 0.38 N ATOM 100 CA TYR A 10 -9.947 10.795 -2.739 1.00 0.41 C ATOM 101 C TYR A 10 -9.853 9.453 -3.452 1.00 0.38 C ATOM 102 O TYR A 10 -9.555 9.392 -4.645 1.00 0.44 O ATOM 103 CB TYR A 10 -11.086 11.622 -3.341 1.00 0.49 C ATOM 104 CG TYR A 10 -11.090 13.066 -2.896 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.711 13.446 -1.712 1.00 2.02 C ATOM 106 CD2 TYR A 10 -10.475 14.050 -3.660 1.00 1.90 C ATOM 107 CE1 TYR A 10 -11.717 14.765 -1.303 1.00 2.96 C ATOM 108 CE2 TYR A 10 -10.475 15.372 -3.257 1.00 2.78 C ATOM 109 CZ TYR A 10 -11.099 15.724 -2.078 1.00 3.18 C ATOM 110 OH TYR A 10 -11.103 17.038 -1.673 1.00 4.20 O ATOM 0 H TYR A 10 -8.649 12.202 -3.591 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.156 10.620 -1.684 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.014 11.586 -4.428 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.038 11.165 -3.070 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -12.196 12.698 -1.102 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -9.989 13.777 -4.585 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -12.204 15.044 -0.380 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -9.990 16.124 -3.861 1.00 2.78 H new ATOM 0 HH TYR A 10 -10.624 17.584 -2.331 1.00 4.20 H new ATOM 120 N TRP A 11 -10.106 8.379 -2.715 1.00 0.47 N ATOM 121 CA TRP A 11 -10.047 7.038 -3.280 1.00 0.49 C ATOM 122 C TRP A 11 -10.878 6.952 -4.555 1.00 0.42 C ATOM 123 O TRP A 11 -12.040 7.355 -4.578 1.00 0.45 O ATOM 124 CB TRP A 11 -10.544 6.010 -2.262 1.00 0.60 C ATOM 125 CG TRP A 11 -11.884 6.347 -1.682 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.130 7.010 -0.513 1.00 1.71 C ATOM 127 CD2 TRP A 11 -13.165 6.036 -2.244 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.484 7.129 -0.314 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.140 6.539 -1.362 1.00 2.17 C ATOM 130 CE3 TRP A 11 -13.579 5.379 -3.406 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.503 6.407 -1.609 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -14.933 5.249 -3.648 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.881 5.761 -2.754 1.00 3.60 C ATOM 0 H TRP A 11 -10.354 8.411 -1.726 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.008 6.819 -3.528 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.599 5.032 -2.741 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.817 5.929 -1.454 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -11.371 7.386 0.157 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -13.929 7.583 0.484 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -12.855 4.981 -4.101 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.237 6.801 -0.921 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -15.266 4.744 -4.542 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -16.932 5.644 -2.973 1.00 3.60 H new ATOM 144 N THR A 12 -10.279 6.416 -5.615 1.00 0.45 N ATOM 145 CA THR A 12 -10.968 6.273 -6.889 1.00 0.50 C ATOM 146 C THR A 12 -11.551 4.872 -7.020 1.00 0.55 C ATOM 147 O THR A 12 -12.760 4.701 -7.169 1.00 0.64 O ATOM 148 CB THR A 12 -10.029 6.546 -8.078 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.963 7.414 -7.672 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.790 7.177 -9.236 1.00 1.23 C ATOM 0 H THR A 12 -9.318 6.074 -5.614 1.00 0.45 H new ATOM 0 HA THR A 12 -11.770 7.011 -6.908 1.00 0.50 H new ATOM 0 HB THR A 12 -9.615 5.594 -8.411 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.369 7.581 -8.434 1.00 1.28 H new ATOM 0 HG21 THR A 12 -10.106 7.361 -10.064 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.581 6.502 -9.562 1.00 1.23 H new ATOM 0 HG23 THR A 12 -11.229 8.121 -8.912 1.00 1.23 H new ATOM 158 N ASN A 13 -10.683 3.870 -6.941 1.00 0.56 N ATOM 159 CA ASN A 13 -11.111 2.482 -7.029 1.00 0.66 C ATOM 160 C ASN A 13 -11.276 1.893 -5.636 1.00 0.63 C ATOM 161 O ASN A 13 -10.415 2.067 -4.774 1.00 0.58 O ATOM 162 CB ASN A 13 -10.097 1.655 -7.821 1.00 0.73 C ATOM 163 CG ASN A 13 -9.798 2.252 -9.181 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.961 3.284 -9.204 1.00 2.05 O flip ATOM 165 ND2 ASN A 13 -10.310 1.791 -10.200 1.00 1.96 N flip ATOM 0 H ASN A 13 -9.678 3.995 -6.816 1.00 0.56 H new ATOM 0 HA ASN A 13 -12.070 2.453 -7.547 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.172 1.577 -7.250 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.479 0.642 -7.948 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -10.947 0.997 -10.136 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.097 2.202 -11.109 1.00 1.96 H new ATOM 172 N THR A 14 -12.380 1.191 -5.416 1.00 0.74 N ATOM 173 CA THR A 14 -12.638 0.578 -4.122 1.00 0.78 C ATOM 174 C THR A 14 -11.600 -0.496 -3.827 1.00 0.76 C ATOM 175 O THR A 14 -11.405 -1.416 -4.624 1.00 0.78 O ATOM 176 CB THR A 14 -14.044 -0.047 -4.067 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.416 -0.530 -5.364 1.00 1.06 O ATOM 178 CG2 THR A 14 -15.070 0.967 -3.584 1.00 1.15 C ATOM 0 H THR A 14 -13.107 1.033 -6.114 1.00 0.74 H new ATOM 0 HA THR A 14 -12.576 1.364 -3.370 1.00 0.78 H new ATOM 0 HB THR A 14 -14.020 -0.878 -3.362 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.311 -0.928 -5.321 1.00 1.06 H new ATOM 0 HG21 THR A 14 -16.055 0.502 -3.554 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.800 1.310 -2.585 1.00 1.15 H new ATOM 0 HG23 THR A 14 -15.091 1.817 -4.266 1.00 1.15 H new ATOM 186 N GLU A 15 -10.971 -0.413 -2.662 1.00 0.76 N ATOM 187 CA GLU A 15 -9.989 -1.410 -2.265 1.00 0.77 C ATOM 188 C GLU A 15 -10.694 -2.665 -1.767 1.00 0.82 C ATOM 189 O GLU A 15 -10.097 -3.738 -1.688 1.00 0.82 O ATOM 190 CB GLU A 15 -9.072 -0.855 -1.175 1.00 0.79 C ATOM 191 CG GLU A 15 -8.644 0.584 -1.411 1.00 1.35 C ATOM 192 CD GLU A 15 -9.013 1.499 -0.259 1.00 1.75 C ATOM 193 OE1 GLU A 15 -9.201 0.990 0.866 1.00 2.50 O ATOM 194 OE2 GLU A 15 -9.114 2.723 -0.482 1.00 2.06 O ATOM 0 H GLU A 15 -11.123 0.330 -1.980 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.380 -1.664 -3.133 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.583 -0.920 -0.215 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.183 -1.482 -1.106 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.566 0.618 -1.566 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.109 0.952 -2.326 1.00 1.35 H new ATOM 201 N LYS A 16 -11.982 -2.526 -1.459 1.00 0.88 N ATOM 202 CA LYS A 16 -12.774 -3.647 -0.999 1.00 0.95 C ATOM 203 C LYS A 16 -13.006 -4.626 -2.146 1.00 0.98 C ATOM 204 O LYS A 16 -13.343 -5.784 -1.921 1.00 1.01 O ATOM 205 CB LYS A 16 -14.116 -3.163 -0.443 1.00 1.04 C ATOM 206 CG LYS A 16 -14.885 -4.239 0.306 1.00 1.44 C ATOM 207 CD LYS A 16 -16.092 -3.659 1.026 1.00 1.61 C ATOM 208 CE LYS A 16 -15.728 -3.171 2.419 1.00 2.37 C ATOM 209 NZ LYS A 16 -16.206 -1.782 2.666 1.00 2.83 N ATOM 0 H LYS A 16 -12.492 -1.645 -1.522 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.231 -4.154 -0.202 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.941 -2.321 0.226 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.729 -2.795 -1.265 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.212 -5.008 -0.394 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.227 -4.723 1.028 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.501 -2.832 0.445 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -16.873 -4.416 1.097 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -16.160 -3.841 3.162 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -14.646 -3.210 2.546 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -15.937 -1.488 3.627 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -15.774 -1.138 1.973 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.241 -1.749 2.571 1.00 2.83 H new ATOM 223 N MET A 17 -12.831 -4.154 -3.382 1.00 0.98 N ATOM 224 CA MET A 17 -13.036 -5.004 -4.546 1.00 1.04 C ATOM 225 C MET A 17 -11.728 -5.243 -5.294 1.00 1.03 C ATOM 226 O MET A 17 -11.738 -5.510 -6.496 1.00 1.17 O ATOM 227 CB MET A 17 -14.065 -4.374 -5.485 1.00 1.21 C ATOM 228 CG MET A 17 -15.371 -4.015 -4.799 1.00 1.44 C ATOM 229 SD MET A 17 -16.749 -3.892 -5.955 1.00 1.83 S ATOM 230 CE MET A 17 -18.120 -3.684 -4.823 1.00 2.16 C ATOM 0 H MET A 17 -12.551 -3.197 -3.597 1.00 0.98 H new ATOM 0 HA MET A 17 -13.409 -5.967 -4.196 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.638 -3.475 -5.929 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.271 -5.066 -6.302 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.600 -4.768 -4.045 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.254 -3.066 -4.276 1.00 1.44 H new ATOM 0 HE1 MET A 17 -19.048 -3.593 -5.388 1.00 2.16 H new ATOM 0 HE2 MET A 17 -18.181 -4.549 -4.162 1.00 2.16 H new ATOM 0 HE3 MET A 17 -17.968 -2.783 -4.229 1.00 2.16 H new ATOM 240 N GLU A 18 -10.606 -5.145 -4.588 1.00 0.95 N ATOM 241 CA GLU A 18 -9.308 -5.355 -5.220 1.00 1.06 C ATOM 242 C GLU A 18 -8.155 -5.152 -4.241 1.00 0.96 C ATOM 243 O GLU A 18 -7.152 -4.529 -4.583 1.00 1.57 O ATOM 244 CB GLU A 18 -9.148 -4.403 -6.407 1.00 1.43 C ATOM 245 CG GLU A 18 -8.486 -5.045 -7.616 1.00 1.29 C ATOM 246 CD GLU A 18 -9.493 -5.646 -8.578 1.00 2.13 C ATOM 247 OE1 GLU A 18 -10.069 -6.704 -8.250 1.00 2.88 O ATOM 248 OE2 GLU A 18 -9.707 -5.057 -9.660 1.00 2.56 O ATOM 0 H GLU A 18 -10.568 -4.925 -3.593 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.274 -6.389 -5.564 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -10.130 -4.028 -6.697 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.558 -3.542 -6.094 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -7.890 -4.298 -8.139 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.800 -5.823 -7.280 1.00 1.29 H new ATOM 255 N LYS A 19 -8.288 -5.681 -3.026 1.00 0.84 N ATOM 256 CA LYS A 19 -7.228 -5.537 -2.037 1.00 1.08 C ATOM 257 C LYS A 19 -7.478 -6.370 -0.784 1.00 0.87 C ATOM 258 O LYS A 19 -6.532 -6.894 -0.196 1.00 0.87 O ATOM 259 CB LYS A 19 -7.052 -4.069 -1.653 1.00 1.66 C ATOM 260 CG LYS A 19 -5.769 -3.790 -0.889 1.00 2.57 C ATOM 261 CD LYS A 19 -4.555 -3.841 -1.802 1.00 2.87 C ATOM 262 CE LYS A 19 -3.789 -5.145 -1.637 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.144 -5.245 -0.299 1.00 4.14 N ATOM 0 H LYS A 19 -9.105 -6.204 -2.709 1.00 0.84 H new ATOM 0 HA LYS A 19 -6.314 -5.909 -2.501 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.066 -3.461 -2.558 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.902 -3.756 -1.046 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.831 -2.809 -0.418 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.655 -4.521 -0.089 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.873 -3.733 -2.839 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -3.897 -3.001 -1.582 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -4.469 -5.985 -1.776 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -3.028 -5.219 -2.413 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.485 -6.050 -0.291 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.622 -4.368 -0.099 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -3.874 -5.387 0.428 1.00 4.14 H new ATOM 277 N ARG A 20 -8.739 -6.494 -0.366 1.00 0.98 N ATOM 278 CA ARG A 20 -9.048 -7.262 0.842 1.00 0.92 C ATOM 279 C ARG A 20 -8.715 -8.732 0.646 1.00 0.94 C ATOM 280 O ARG A 20 -7.576 -9.127 0.867 1.00 1.30 O ATOM 281 CB ARG A 20 -10.512 -7.102 1.265 1.00 0.95 C ATOM 282 CG ARG A 20 -11.489 -6.916 0.114 1.00 1.64 C ATOM 283 CD ARG A 20 -12.909 -7.279 0.526 1.00 2.15 C ATOM 284 NE ARG A 20 -12.992 -8.618 1.106 1.00 2.67 N ATOM 285 CZ ARG A 20 -14.114 -9.138 1.594 1.00 3.29 C ATOM 286 NH1 ARG A 20 -15.239 -8.433 1.571 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.116 -10.361 2.105 1.00 4.11 N ATOM 0 H ARG A 20 -9.547 -6.083 -0.834 1.00 0.98 H new ATOM 0 HA ARG A 20 -8.427 -6.862 1.643 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.809 -7.981 1.837 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.591 -6.245 1.933 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.461 -5.881 -0.226 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -11.183 -7.536 -0.729 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -13.273 -6.549 1.249 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -13.564 -7.221 -0.344 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.144 -9.184 1.138 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -15.243 -7.491 1.179 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -16.099 -8.833 1.946 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.255 -10.907 2.125 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -14.979 -10.756 2.478 1.00 4.11 H new ATOM 348 N VAL A 24 -1.689 -14.327 -1.923 1.00 0.78 N ATOM 349 CA VAL A 24 -0.275 -13.976 -1.872 1.00 0.74 C ATOM 350 C VAL A 24 0.623 -15.195 -2.096 1.00 0.68 C ATOM 351 O VAL A 24 0.760 -16.049 -1.217 1.00 0.77 O ATOM 352 CB VAL A 24 0.090 -13.319 -0.524 1.00 0.81 C ATOM 353 CG1 VAL A 24 -0.077 -14.306 0.620 1.00 1.32 C ATOM 354 CG2 VAL A 24 1.511 -12.776 -0.564 1.00 1.30 C ATOM 0 HA VAL A 24 -0.104 -13.263 -2.679 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.592 -12.486 -0.353 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.186 -13.821 1.560 1.00 1.32 H new ATOM 0 HG12 VAL A 24 -1.113 -14.642 0.662 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.576 -15.164 0.459 1.00 1.32 H new ATOM 0 HG21 VAL A 24 1.752 -12.316 0.394 1.00 1.30 H new ATOM 0 HG22 VAL A 24 2.207 -13.592 -0.760 1.00 1.30 H new ATOM 0 HG23 VAL A 24 1.594 -12.031 -1.355 1.00 1.30 H new ATOM 364 N PRO A 25 1.257 -15.293 -3.279 1.00 0.61 N ATOM 365 CA PRO A 25 2.148 -16.413 -3.605 1.00 0.63 C ATOM 366 C PRO A 25 3.454 -16.355 -2.815 1.00 0.57 C ATOM 367 O PRO A 25 4.154 -15.343 -2.830 1.00 0.52 O ATOM 368 CB PRO A 25 2.421 -16.229 -5.099 1.00 0.72 C ATOM 369 CG PRO A 25 2.228 -14.771 -5.343 1.00 0.71 C ATOM 370 CD PRO A 25 1.159 -14.325 -4.389 1.00 0.65 C ATOM 0 HA PRO A 25 1.702 -17.376 -3.357 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.432 -16.543 -5.358 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.737 -16.825 -5.703 1.00 0.72 H new ATOM 0 HG2 PRO A 25 3.154 -14.222 -5.174 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.931 -14.585 -6.375 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.328 -13.304 -4.047 1.00 0.65 H new ATOM 0 HD3 PRO A 25 0.173 -14.346 -4.853 1.00 0.65 H new ATOM 378 N ALA A 26 3.770 -17.442 -2.120 1.00 0.61 N ATOM 379 CA ALA A 26 4.987 -17.508 -1.320 1.00 0.60 C ATOM 380 C ALA A 26 6.235 -17.334 -2.183 1.00 0.54 C ATOM 381 O ALA A 26 6.328 -17.893 -3.276 1.00 0.58 O ATOM 382 CB ALA A 26 5.050 -18.823 -0.558 1.00 0.71 C ATOM 0 H ALA A 26 3.201 -18.288 -2.094 1.00 0.61 H new ATOM 0 HA ALA A 26 4.959 -16.685 -0.605 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.964 -18.857 0.034 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.187 -18.903 0.103 1.00 0.71 H new ATOM 0 HB3 ALA A 26 5.044 -19.653 -1.264 1.00 0.71 H new ATOM 388 N ALA A 27 7.193 -16.563 -1.678 1.00 0.50 N ATOM 389 CA ALA A 27 8.444 -16.317 -2.390 1.00 0.48 C ATOM 390 C ALA A 27 8.229 -15.447 -3.626 1.00 0.43 C ATOM 391 O ALA A 27 9.048 -15.444 -4.545 1.00 0.46 O ATOM 392 CB ALA A 27 9.093 -17.636 -2.781 1.00 0.55 C ATOM 0 H ALA A 27 7.127 -16.095 -0.774 1.00 0.50 H new ATOM 0 HA ALA A 27 9.108 -15.775 -1.716 1.00 0.48 H new ATOM 0 HB1 ALA A 27 10.025 -17.440 -3.311 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.302 -18.219 -1.884 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.418 -18.196 -3.428 1.00 0.55 H new ATOM 398 N ASN A 28 7.124 -14.709 -3.644 1.00 0.39 N ATOM 399 CA ASN A 28 6.804 -13.837 -4.768 1.00 0.36 C ATOM 400 C ASN A 28 6.609 -12.397 -4.301 1.00 0.30 C ATOM 401 O ASN A 28 6.513 -12.131 -3.103 1.00 0.29 O ATOM 402 CB ASN A 28 5.545 -14.327 -5.482 1.00 0.40 C ATOM 403 CG ASN A 28 5.859 -15.062 -6.771 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.873 -15.750 -6.875 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.984 -14.918 -7.760 1.00 1.36 N ATOM 0 H ASN A 28 6.435 -14.698 -2.892 1.00 0.39 H new ATOM 0 HA ASN A 28 7.641 -13.865 -5.465 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.988 -14.987 -4.817 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.900 -13.476 -5.700 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.140 -15.389 -8.651 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.156 -14.337 -7.628 1.00 1.36 H new ATOM 412 N THR A 29 6.547 -11.470 -5.254 1.00 0.30 N ATOM 413 CA THR A 29 6.360 -10.061 -4.935 1.00 0.28 C ATOM 414 C THR A 29 4.893 -9.770 -4.642 1.00 0.30 C ATOM 415 O THR A 29 4.002 -10.387 -5.225 1.00 0.33 O ATOM 416 CB THR A 29 6.832 -9.153 -6.086 1.00 0.32 C ATOM 417 OG1 THR A 29 5.855 -9.143 -7.136 1.00 0.96 O ATOM 418 CG2 THR A 29 8.168 -9.627 -6.637 1.00 0.92 C ATOM 0 H THR A 29 6.624 -11.671 -6.251 1.00 0.30 H new ATOM 0 HA THR A 29 6.962 -9.848 -4.052 1.00 0.28 H new ATOM 0 HB THR A 29 6.955 -8.143 -5.694 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.308 -9.128 -8.005 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.481 -8.970 -7.449 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.916 -9.606 -5.845 1.00 0.92 H new ATOM 0 HG23 THR A 29 8.066 -10.645 -7.013 1.00 0.92 H new ATOM 426 N VAL A 30 4.645 -8.849 -3.716 1.00 0.33 N ATOM 427 CA VAL A 30 3.282 -8.507 -3.332 1.00 0.39 C ATOM 428 C VAL A 30 2.785 -7.226 -3.997 1.00 0.35 C ATOM 429 O VAL A 30 3.448 -6.189 -3.969 1.00 0.35 O ATOM 430 CB VAL A 30 3.153 -8.354 -1.806 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.689 -8.309 -1.397 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.880 -9.483 -1.094 1.00 0.57 C ATOM 0 H VAL A 30 5.368 -8.328 -3.220 1.00 0.33 H new ATOM 0 HA VAL A 30 2.663 -9.335 -3.676 1.00 0.39 H new ATOM 0 HB VAL A 30 3.617 -7.413 -1.512 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.617 -8.201 -0.315 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.202 -7.462 -1.880 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.197 -9.232 -1.703 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.778 -9.359 -0.016 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.448 -10.439 -1.391 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.936 -9.463 -1.363 1.00 0.57 H new ATOM 442 N LYS A 31 1.597 -7.322 -4.575 1.00 0.34 N ATOM 443 CA LYS A 31 0.967 -6.187 -5.238 1.00 0.33 C ATOM 444 C LYS A 31 0.087 -5.423 -4.247 1.00 0.33 C ATOM 445 O LYS A 31 -0.868 -5.972 -3.699 1.00 0.38 O ATOM 446 CB LYS A 31 0.152 -6.667 -6.456 1.00 0.38 C ATOM 447 CG LYS A 31 -0.988 -5.744 -6.873 1.00 0.60 C ATOM 448 CD LYS A 31 -2.263 -6.054 -6.102 1.00 0.82 C ATOM 449 CE LYS A 31 -3.355 -6.596 -7.011 1.00 1.34 C ATOM 450 NZ LYS A 31 -2.807 -7.450 -8.101 1.00 1.98 N ATOM 0 H LYS A 31 1.046 -8.180 -4.599 1.00 0.34 H new ATOM 0 HA LYS A 31 1.740 -5.508 -5.598 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.829 -6.789 -7.302 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.260 -7.651 -6.233 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.700 -4.707 -6.701 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -1.172 -5.851 -7.942 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.047 -6.782 -5.320 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.618 -5.150 -5.607 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.064 -7.175 -6.419 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.909 -5.764 -7.447 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.538 -8.117 -8.420 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.514 -6.850 -8.898 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -1.986 -7.981 -7.747 1.00 1.98 H new ATOM 464 N PHE A 32 0.419 -4.155 -4.026 1.00 0.31 N ATOM 465 CA PHE A 32 -0.342 -3.319 -3.107 1.00 0.35 C ATOM 466 C PHE A 32 -1.063 -2.216 -3.872 1.00 0.32 C ATOM 467 O PHE A 32 -0.435 -1.406 -4.553 1.00 0.32 O ATOM 468 CB PHE A 32 0.589 -2.710 -2.056 1.00 0.44 C ATOM 469 CG PHE A 32 0.013 -2.687 -0.667 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.357 -2.607 -0.467 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.845 -2.742 0.438 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.883 -2.583 0.811 1.00 2.28 C ATOM 473 CE2 PHE A 32 0.325 -2.720 1.719 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.042 -2.640 1.905 1.00 2.35 C ATOM 0 H PHE A 32 1.208 -3.686 -4.470 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.084 -3.938 -2.603 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.522 -3.274 -2.042 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.837 -1.691 -2.352 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.020 -2.563 -1.319 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.914 -2.803 0.298 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.952 -2.520 0.954 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.986 -2.765 2.572 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.452 -2.622 2.904 1.00 2.35 H new ATOM 484 N ARG A 33 -2.387 -2.204 -3.773 1.00 0.36 N ATOM 485 CA ARG A 33 -3.190 -1.212 -4.473 1.00 0.39 C ATOM 486 C ARG A 33 -3.841 -0.228 -3.507 1.00 0.40 C ATOM 487 O ARG A 33 -4.441 -0.621 -2.507 1.00 0.43 O ATOM 488 CB ARG A 33 -4.264 -1.904 -5.314 1.00 0.47 C ATOM 489 CG ARG A 33 -4.006 -1.828 -6.810 1.00 0.80 C ATOM 490 CD ARG A 33 -2.643 -2.400 -7.175 1.00 0.53 C ATOM 491 NE ARG A 33 -2.370 -2.289 -8.605 1.00 1.09 N ATOM 492 CZ ARG A 33 -2.997 -3.002 -9.536 1.00 1.56 C ATOM 493 NH1 ARG A 33 -3.930 -3.877 -9.189 1.00 2.10 N ATOM 494 NH2 ARG A 33 -2.691 -2.840 -10.816 1.00 2.12 N ATOM 0 H ARG A 33 -2.925 -2.868 -3.216 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.523 -0.648 -5.125 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.328 -2.951 -5.017 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.232 -1.452 -5.097 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.785 -2.375 -7.342 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.065 -0.790 -7.137 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.868 -1.876 -6.616 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.598 -3.448 -6.877 1.00 0.53 H new ATOM 0 HE ARG A 33 -1.657 -1.626 -8.908 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -4.169 -4.005 -8.206 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -4.409 -4.422 -9.905 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.974 -2.168 -11.088 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -3.173 -3.388 -11.529 1.00 2.12 H new ATOM 508 N CYS A 34 -3.723 1.055 -3.827 1.00 0.39 N ATOM 509 CA CYS A 34 -4.302 2.108 -3.004 1.00 0.41 C ATOM 510 C CYS A 34 -4.561 3.365 -3.830 1.00 0.41 C ATOM 511 O CYS A 34 -4.060 4.443 -3.508 1.00 0.47 O ATOM 512 CB CYS A 34 -3.386 2.430 -1.821 1.00 0.44 C ATOM 513 SG CYS A 34 -4.264 2.646 -0.239 1.00 0.94 S ATOM 0 H CYS A 34 -3.230 1.391 -4.654 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.256 1.749 -2.619 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.655 1.629 -1.712 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.830 3.341 -2.043 1.00 0.44 H new ATOM 518 N PRO A 35 -5.352 3.241 -4.909 1.00 0.41 N ATOM 519 CA PRO A 35 -5.680 4.371 -5.784 1.00 0.44 C ATOM 520 C PRO A 35 -6.402 5.491 -5.045 1.00 0.34 C ATOM 521 O PRO A 35 -7.470 5.285 -4.471 1.00 0.34 O ATOM 522 CB PRO A 35 -6.595 3.761 -6.851 1.00 0.57 C ATOM 523 CG PRO A 35 -7.072 2.471 -6.276 1.00 0.54 C ATOM 524 CD PRO A 35 -5.986 1.993 -5.361 1.00 0.44 C ATOM 0 HA PRO A 35 -4.781 4.831 -6.193 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.431 4.423 -7.076 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -6.056 3.599 -7.784 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -8.006 2.609 -5.732 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.266 1.742 -7.063 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.387 1.420 -4.525 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.278 1.347 -5.880 1.00 0.44 H new ATOM 532 N ALA A 36 -5.809 6.680 -5.070 1.00 0.35 N ATOM 533 CA ALA A 36 -6.389 7.841 -4.409 1.00 0.33 C ATOM 534 C ALA A 36 -6.056 9.119 -5.169 1.00 0.32 C ATOM 535 O ALA A 36 -4.936 9.624 -5.093 1.00 0.38 O ATOM 536 CB ALA A 36 -5.896 7.931 -2.972 1.00 0.40 C ATOM 0 H ALA A 36 -4.924 6.864 -5.543 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.473 7.725 -4.399 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.337 8.803 -2.490 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.187 7.031 -2.430 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.810 8.023 -2.965 1.00 0.40 H new ATOM 542 N GLY A 37 -7.034 9.638 -5.903 1.00 0.33 N ATOM 543 CA GLY A 37 -6.823 10.852 -6.669 1.00 0.36 C ATOM 544 C GLY A 37 -6.776 12.090 -5.795 1.00 0.35 C ATOM 545 O GLY A 37 -7.676 12.327 -4.992 1.00 0.37 O ATOM 0 H GLY A 37 -7.970 9.239 -5.981 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.890 10.769 -7.226 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.623 10.959 -7.402 1.00 0.36 H new ATOM 549 N GLY A 38 -5.724 12.883 -5.956 1.00 0.36 N ATOM 550 CA GLY A 38 -5.580 14.096 -5.171 1.00 0.39 C ATOM 551 C GLY A 38 -4.457 14.973 -5.679 1.00 0.37 C ATOM 552 O GLY A 38 -4.213 15.039 -6.883 1.00 0.42 O ATOM 0 H GLY A 38 -4.967 12.708 -6.617 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.515 14.655 -5.194 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.392 13.833 -4.130 1.00 0.39 H new ATOM 556 N ASN A 39 -3.766 15.650 -4.767 1.00 0.40 N ATOM 557 CA ASN A 39 -2.666 16.523 -5.158 1.00 0.47 C ATOM 558 C ASN A 39 -1.429 15.706 -5.525 1.00 0.36 C ATOM 559 O ASN A 39 -1.408 14.487 -5.355 1.00 0.34 O ATOM 560 CB ASN A 39 -2.342 17.508 -4.039 1.00 0.70 C ATOM 561 CG ASN A 39 -2.728 18.930 -4.400 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.941 19.862 -4.235 1.00 2.41 O ATOM 563 ND2 ASN A 39 -3.947 19.102 -4.897 1.00 2.89 N ATOM 0 H ASN A 39 -3.946 15.612 -3.764 1.00 0.40 H new ATOM 0 HA ASN A 39 -2.975 17.087 -6.038 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.867 17.210 -3.131 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.275 17.467 -3.819 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.264 20.035 -5.159 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -4.567 18.301 -5.017 1.00 2.89 H new ATOM 570 N PRO A 40 -0.382 16.369 -6.047 1.00 0.39 N ATOM 571 CA PRO A 40 0.857 15.696 -6.452 1.00 0.39 C ATOM 572 C PRO A 40 1.744 15.295 -5.274 1.00 0.34 C ATOM 573 O PRO A 40 2.839 14.767 -5.470 1.00 0.40 O ATOM 574 CB PRO A 40 1.559 16.750 -7.309 1.00 0.51 C ATOM 575 CG PRO A 40 1.082 18.053 -6.770 1.00 0.52 C ATOM 576 CD PRO A 40 -0.330 17.822 -6.298 1.00 0.53 C ATOM 0 HA PRO A 40 0.651 14.758 -6.967 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.643 16.663 -7.234 1.00 0.51 H new ATOM 0 HB3 PRO A 40 1.302 16.639 -8.362 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.716 18.390 -5.950 1.00 0.52 H new ATOM 0 HG3 PRO A 40 1.114 18.827 -7.537 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.549 18.392 -5.395 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.058 18.125 -7.050 1.00 0.53 H new ATOM 584 N MET A 41 1.279 15.546 -4.052 1.00 0.31 N ATOM 585 CA MET A 41 2.054 15.202 -2.863 1.00 0.33 C ATOM 586 C MET A 41 1.275 14.275 -1.934 1.00 0.32 C ATOM 587 O MET A 41 0.784 14.703 -0.890 1.00 0.36 O ATOM 588 CB MET A 41 2.452 16.469 -2.105 1.00 0.39 C ATOM 589 CG MET A 41 3.609 16.261 -1.139 1.00 0.47 C ATOM 590 SD MET A 41 5.217 16.444 -1.933 1.00 1.30 S ATOM 591 CE MET A 41 5.294 18.221 -2.134 1.00 1.83 C ATOM 0 H MET A 41 0.377 15.983 -3.860 1.00 0.31 H new ATOM 0 HA MET A 41 2.950 14.678 -3.196 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.724 17.242 -2.824 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.589 16.838 -1.551 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.528 16.977 -0.321 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.536 15.266 -0.700 1.00 0.47 H new ATOM 0 HE1 MET A 41 5.528 18.460 -3.171 1.00 1.83 H new ATOM 0 HE2 MET A 41 4.332 18.659 -1.869 1.00 1.83 H new ATOM 0 HE3 MET A 41 6.069 18.627 -1.484 1.00 1.83 H new ATOM 601 N PRO A 42 1.152 12.990 -2.301 1.00 0.32 N ATOM 602 CA PRO A 42 0.437 12.003 -1.508 1.00 0.34 C ATOM 603 C PRO A 42 1.370 11.197 -0.608 1.00 0.35 C ATOM 604 O PRO A 42 2.314 10.569 -1.084 1.00 0.43 O ATOM 605 CB PRO A 42 -0.158 11.109 -2.592 1.00 0.40 C ATOM 606 CG PRO A 42 0.844 11.137 -3.706 1.00 0.42 C ATOM 607 CD PRO A 42 1.689 12.382 -3.526 1.00 0.36 C ATOM 0 HA PRO A 42 -0.290 12.447 -0.828 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.314 10.094 -2.226 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.128 11.481 -2.923 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.468 10.243 -3.683 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.342 11.151 -4.673 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.746 12.137 -3.422 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.600 13.054 -4.380 1.00 0.36 H new ATOM 615 N THR A 43 1.094 11.202 0.695 1.00 0.32 N ATOM 616 CA THR A 43 1.907 10.454 1.645 1.00 0.35 C ATOM 617 C THR A 43 1.172 9.197 2.084 1.00 0.37 C ATOM 618 O THR A 43 -0.001 9.253 2.450 1.00 0.48 O ATOM 619 CB THR A 43 2.259 11.296 2.886 1.00 0.41 C ATOM 620 OG1 THR A 43 2.900 12.514 2.488 1.00 0.94 O ATOM 621 CG2 THR A 43 3.172 10.520 3.823 1.00 1.00 C ATOM 0 H THR A 43 0.317 11.714 1.113 1.00 0.32 H new ATOM 0 HA THR A 43 2.835 10.187 1.140 1.00 0.35 H new ATOM 0 HB THR A 43 1.334 11.529 3.414 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.119 13.044 3.283 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.408 11.134 4.692 1.00 1.00 H new ATOM 0 HG22 THR A 43 2.670 9.608 4.148 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.093 10.261 3.301 1.00 1.00 H new ATOM 629 N MET A 44 1.850 8.058 2.032 1.00 0.35 N ATOM 630 CA MET A 44 1.223 6.802 2.414 1.00 0.41 C ATOM 631 C MET A 44 2.147 5.929 3.252 1.00 0.38 C ATOM 632 O MET A 44 3.341 5.815 2.976 1.00 0.40 O ATOM 633 CB MET A 44 0.775 6.040 1.168 1.00 0.49 C ATOM 634 CG MET A 44 1.896 5.794 0.170 1.00 0.86 C ATOM 635 SD MET A 44 2.025 7.102 -1.064 1.00 1.82 S ATOM 636 CE MET A 44 0.628 6.718 -2.119 1.00 2.30 C ATOM 0 H MET A 44 2.822 7.978 1.733 1.00 0.35 H new ATOM 0 HA MET A 44 0.356 7.045 3.028 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.352 5.082 1.470 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.021 6.599 0.677 1.00 0.49 H new ATOM 0 HG2 MET A 44 2.842 5.710 0.705 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.728 4.841 -0.332 1.00 0.86 H new ATOM 0 HE1 MET A 44 0.401 7.578 -2.750 1.00 2.30 H new ATOM 0 HE2 MET A 44 0.871 5.861 -2.747 1.00 2.30 H new ATOM 0 HE3 MET A 44 -0.239 6.481 -1.503 1.00 2.30 H new ATOM 646 N ARG A 45 1.567 5.299 4.268 1.00 0.36 N ATOM 647 CA ARG A 45 2.309 4.409 5.148 1.00 0.34 C ATOM 648 C ARG A 45 1.921 2.967 4.851 1.00 0.32 C ATOM 649 O ARG A 45 0.772 2.685 4.514 1.00 0.34 O ATOM 650 CB ARG A 45 2.023 4.741 6.614 1.00 0.37 C ATOM 651 CG ARG A 45 2.013 6.231 6.912 1.00 0.66 C ATOM 652 CD ARG A 45 2.113 6.500 8.405 1.00 0.88 C ATOM 653 NE ARG A 45 1.763 7.878 8.739 1.00 1.57 N ATOM 654 CZ ARG A 45 1.849 8.383 9.966 1.00 2.04 C ATOM 655 NH1 ARG A 45 2.279 7.628 10.968 1.00 2.22 N ATOM 656 NH2 ARG A 45 1.506 9.643 10.192 1.00 2.89 N ATOM 0 H ARG A 45 0.578 5.391 4.502 1.00 0.36 H new ATOM 0 HA ARG A 45 3.376 4.542 4.971 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.058 4.317 6.892 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.774 4.259 7.240 1.00 0.37 H new ATOM 0 HG2 ARG A 45 2.845 6.712 6.398 1.00 0.66 H new ATOM 0 HG3 ARG A 45 1.098 6.675 6.521 1.00 0.66 H new ATOM 0 HD2 ARG A 45 1.452 5.818 8.941 1.00 0.88 H new ATOM 0 HD3 ARG A 45 3.128 6.292 8.743 1.00 0.88 H new ATOM 0 HE ARG A 45 1.434 8.487 7.989 1.00 1.57 H new ATOM 0 HH11 ARG A 45 2.545 6.658 10.798 1.00 2.22 H new ATOM 0 HH12 ARG A 45 2.344 8.017 11.908 1.00 2.22 H new ATOM 0 HH21 ARG A 45 1.175 10.227 9.424 1.00 2.89 H new ATOM 0 HH22 ARG A 45 1.573 10.029 11.134 1.00 2.89 H new ATOM 670 N TRP A 46 2.879 2.058 4.966 1.00 0.31 N ATOM 671 CA TRP A 46 2.612 0.653 4.691 1.00 0.31 C ATOM 672 C TRP A 46 2.701 -0.189 5.955 1.00 0.26 C ATOM 673 O TRP A 46 3.752 -0.259 6.600 1.00 0.29 O ATOM 674 CB TRP A 46 3.587 0.129 3.639 1.00 0.39 C ATOM 675 CG TRP A 46 3.891 1.129 2.564 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.360 1.164 1.308 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.789 2.240 2.653 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.875 2.227 0.609 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.755 2.903 1.412 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.621 2.741 3.660 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.518 4.038 1.152 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.379 3.867 3.401 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.322 4.505 2.154 1.00 3.02 C ATOM 0 H TRP A 46 3.838 2.265 5.245 1.00 0.31 H new ATOM 0 HA TRP A 46 1.594 0.574 4.309 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.516 -0.163 4.128 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.171 -0.769 3.183 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.640 0.459 0.920 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.640 2.474 -0.353 1.00 1.62 H new ATOM 0 HE3 TRP A 46 5.670 2.256 4.624 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.476 4.532 0.193 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.025 4.262 4.171 1.00 3.28 H new ATOM 0 HH2 TRP A 46 6.926 5.384 1.981 1.00 3.02 H new ATOM 694 N LEU A 47 1.589 -0.837 6.295 1.00 0.25 N ATOM 695 CA LEU A 47 1.526 -1.688 7.473 1.00 0.26 C ATOM 696 C LEU A 47 0.982 -3.064 7.107 1.00 0.24 C ATOM 697 O LEU A 47 -0.083 -3.180 6.501 1.00 0.31 O ATOM 698 CB LEU A 47 0.648 -1.047 8.548 1.00 0.37 C ATOM 699 CG LEU A 47 1.401 -0.216 9.588 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.884 1.091 8.977 1.00 1.58 C ATOM 701 CD2 LEU A 47 0.515 0.055 10.794 1.00 1.53 C ATOM 0 H LEU A 47 0.718 -0.786 5.767 1.00 0.25 H new ATOM 0 HA LEU A 47 2.536 -1.803 7.867 1.00 0.26 H new ATOM 0 HB2 LEU A 47 -0.090 -0.409 8.061 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.098 -1.834 9.063 1.00 0.37 H new ATOM 0 HG LEU A 47 2.271 -0.783 9.919 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.418 1.670 9.731 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.553 0.878 8.143 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.028 1.663 8.619 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.066 0.647 11.524 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.373 0.603 10.478 1.00 1.53 H new ATOM 0 HD23 LEU A 47 0.216 -0.891 11.245 1.00 1.53 H new ATOM 713 N LYS A 48 1.722 -4.103 7.468 1.00 0.22 N ATOM 714 CA LYS A 48 1.316 -5.468 7.170 1.00 0.25 C ATOM 715 C LYS A 48 1.284 -6.321 8.433 1.00 0.26 C ATOM 716 O LYS A 48 2.323 -6.602 9.032 1.00 0.31 O ATOM 717 CB LYS A 48 2.261 -6.095 6.140 1.00 0.34 C ATOM 718 CG LYS A 48 3.696 -5.596 6.239 1.00 0.41 C ATOM 719 CD LYS A 48 4.692 -6.708 5.954 1.00 0.88 C ATOM 720 CE LYS A 48 5.981 -6.159 5.367 1.00 0.73 C ATOM 721 NZ LYS A 48 7.094 -7.146 5.440 1.00 1.37 N ATOM 0 H LYS A 48 2.608 -4.026 7.968 1.00 0.22 H new ATOM 0 HA LYS A 48 0.309 -5.433 6.754 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.253 -7.178 6.265 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.882 -5.887 5.139 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.848 -4.780 5.533 1.00 0.41 H new ATOM 0 HG3 LYS A 48 3.874 -5.193 7.236 1.00 0.41 H new ATOM 0 HD2 LYS A 48 4.911 -7.248 6.875 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.251 -7.425 5.261 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.814 -5.877 4.327 1.00 0.73 H new ATOM 0 HE3 LYS A 48 6.265 -5.252 5.901 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 8.005 -6.645 5.407 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 7.025 -7.682 6.329 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 7.030 -7.802 4.635 1.00 1.37 H new ATOM 735 N ASN A 49 0.086 -6.732 8.830 1.00 0.28 N ATOM 736 CA ASN A 49 -0.089 -7.560 10.019 1.00 0.35 C ATOM 737 C ASN A 49 0.580 -6.927 11.234 1.00 0.39 C ATOM 738 O ASN A 49 1.158 -7.622 12.070 1.00 0.50 O ATOM 739 CB ASN A 49 0.486 -8.958 9.781 1.00 0.38 C ATOM 740 CG ASN A 49 0.117 -9.932 10.882 1.00 0.75 C ATOM 741 OD1 ASN A 49 0.949 -10.288 11.716 1.00 1.53 O ATOM 742 ND2 ASN A 49 -1.137 -10.371 10.892 1.00 1.32 N ATOM 0 H ASN A 49 -0.782 -6.505 8.345 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.158 -7.639 10.217 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.123 -9.339 8.826 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.572 -8.893 9.706 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.441 -11.028 11.610 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -1.795 -10.050 10.182 1.00 1.32 H new ATOM 749 N GLY A 50 0.501 -5.605 11.326 1.00 0.38 N ATOM 750 CA GLY A 50 1.106 -4.901 12.443 1.00 0.45 C ATOM 751 C GLY A 50 2.579 -4.608 12.222 1.00 0.48 C ATOM 752 O GLY A 50 3.279 -4.194 13.146 1.00 0.68 O ATOM 0 H GLY A 50 0.029 -5.007 10.648 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.574 -3.964 12.608 1.00 0.45 H new ATOM 0 HA3 GLY A 50 0.990 -5.497 13.348 1.00 0.45 H new ATOM 756 N LYS A 51 3.051 -4.817 10.996 1.00 0.36 N ATOM 757 CA LYS A 51 4.445 -4.567 10.662 1.00 0.39 C ATOM 758 C LYS A 51 4.557 -3.423 9.663 1.00 0.38 C ATOM 759 O LYS A 51 3.798 -3.354 8.702 1.00 0.39 O ATOM 760 CB LYS A 51 5.088 -5.829 10.083 1.00 0.42 C ATOM 761 CG LYS A 51 6.579 -5.690 9.830 1.00 0.53 C ATOM 762 CD LYS A 51 6.896 -5.702 8.345 1.00 0.75 C ATOM 763 CE LYS A 51 8.384 -5.529 8.091 1.00 0.82 C ATOM 764 NZ LYS A 51 9.190 -6.559 8.800 1.00 1.36 N ATOM 0 H LYS A 51 2.486 -5.159 10.219 1.00 0.36 H new ATOM 0 HA LYS A 51 4.972 -4.289 11.575 1.00 0.39 H new ATOM 0 HB2 LYS A 51 4.920 -6.660 10.769 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.591 -6.083 9.147 1.00 0.42 H new ATOM 0 HG2 LYS A 51 6.939 -4.761 10.272 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.110 -6.504 10.323 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.558 -6.641 7.908 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.346 -4.903 7.848 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.579 -5.589 7.020 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.695 -4.536 8.417 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.159 -6.561 8.423 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.214 -6.342 9.817 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.761 -7.495 8.656 1.00 1.36 H new ATOM 778 N GLU A 52 5.505 -2.527 9.888 1.00 0.38 N ATOM 779 CA GLU A 52 5.698 -1.393 8.994 1.00 0.39 C ATOM 780 C GLU A 52 6.961 -1.570 8.163 1.00 0.43 C ATOM 781 O GLU A 52 7.965 -2.089 8.650 1.00 0.49 O ATOM 782 CB GLU A 52 5.774 -0.092 9.794 1.00 0.44 C ATOM 783 CG GLU A 52 6.622 -0.202 11.052 1.00 1.03 C ATOM 784 CD GLU A 52 5.788 -0.424 12.298 1.00 1.38 C ATOM 785 OE1 GLU A 52 5.427 -1.587 12.572 1.00 1.90 O ATOM 786 OE2 GLU A 52 5.497 0.567 13.001 1.00 1.71 O ATOM 0 H GLU A 52 6.150 -2.561 10.677 1.00 0.38 H new ATOM 0 HA GLU A 52 4.844 -1.343 8.318 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.182 0.693 9.158 1.00 0.44 H new ATOM 0 HB3 GLU A 52 4.765 0.214 10.071 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.327 -1.025 10.940 1.00 1.03 H new ATOM 0 HG3 GLU A 52 7.210 0.708 11.170 1.00 1.03 H new ATOM 793 N PHE A 53 6.915 -1.124 6.912 1.00 0.43 N ATOM 794 CA PHE A 53 8.071 -1.226 6.030 1.00 0.50 C ATOM 795 C PHE A 53 8.240 0.050 5.210 1.00 0.56 C ATOM 796 O PHE A 53 7.354 0.431 4.446 1.00 0.70 O ATOM 797 CB PHE A 53 7.942 -2.444 5.111 1.00 0.57 C ATOM 798 CG PHE A 53 6.879 -2.307 4.061 1.00 1.46 C ATOM 799 CD1 PHE A 53 7.157 -1.697 2.849 1.00 1.99 C ATOM 800 CD2 PHE A 53 5.600 -2.793 4.285 1.00 2.42 C ATOM 801 CE1 PHE A 53 6.181 -1.572 1.879 1.00 3.14 C ATOM 802 CE2 PHE A 53 4.622 -2.674 3.318 1.00 3.55 C ATOM 803 CZ PHE A 53 4.912 -2.061 2.114 1.00 3.85 C ATOM 0 H PHE A 53 6.094 -0.691 6.488 1.00 0.43 H new ATOM 0 HA PHE A 53 8.960 -1.354 6.647 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.900 -2.621 4.622 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.727 -3.323 5.718 1.00 0.57 H new ATOM 0 HD1 PHE A 53 8.149 -1.314 2.660 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.366 -3.270 5.226 1.00 2.42 H new ATOM 0 HE1 PHE A 53 6.411 -1.093 0.939 1.00 3.14 H new ATOM 0 HE2 PHE A 53 3.630 -3.060 3.502 1.00 3.55 H new ATOM 0 HZ PHE A 53 4.147 -1.965 1.358 1.00 3.85 H new ATOM 813 N LYS A 54 9.382 0.712 5.380 1.00 0.64 N ATOM 814 CA LYS A 54 9.664 1.950 4.660 1.00 0.77 C ATOM 815 C LYS A 54 10.032 1.670 3.207 1.00 1.29 C ATOM 816 O LYS A 54 10.692 0.677 2.902 1.00 1.12 O ATOM 817 CB LYS A 54 10.797 2.716 5.344 1.00 0.86 C ATOM 818 CG LYS A 54 10.315 3.728 6.370 1.00 1.43 C ATOM 819 CD LYS A 54 11.446 4.189 7.275 1.00 1.82 C ATOM 820 CE LYS A 54 10.984 4.333 8.715 1.00 2.44 C ATOM 821 NZ LYS A 54 9.997 5.435 8.873 1.00 3.19 N ATOM 0 H LYS A 54 10.126 0.412 6.010 1.00 0.64 H new ATOM 0 HA LYS A 54 8.760 2.558 4.674 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.462 2.004 5.833 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.385 3.232 4.585 1.00 0.86 H new ATOM 0 HG2 LYS A 54 9.884 4.588 5.858 1.00 1.43 H new ATOM 0 HG3 LYS A 54 9.522 3.286 6.974 1.00 1.43 H new ATOM 0 HD2 LYS A 54 12.267 3.474 7.225 1.00 1.82 H new ATOM 0 HD3 LYS A 54 11.832 5.144 6.919 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.538 3.396 9.049 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.845 4.522 9.356 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 9.707 5.501 9.869 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 10.430 6.334 8.579 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 9.164 5.242 8.282 1.00 3.19 H new ATOM 885 N ARG A 58 13.140 -2.576 1.508 1.00 1.00 N ATOM 886 CA ARG A 58 12.164 -3.642 1.313 1.00 0.92 C ATOM 887 C ARG A 58 12.867 -4.981 1.113 1.00 0.69 C ATOM 888 O ARG A 58 14.008 -5.034 0.653 1.00 0.78 O ATOM 889 CB ARG A 58 11.251 -3.331 0.129 1.00 1.23 C ATOM 890 CG ARG A 58 9.966 -2.623 0.531 1.00 1.36 C ATOM 891 CD ARG A 58 9.120 -2.265 -0.679 1.00 1.75 C ATOM 892 NE ARG A 58 9.164 -0.836 -0.974 1.00 2.44 N ATOM 893 CZ ARG A 58 8.309 -0.224 -1.788 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.342 -0.914 -2.374 1.00 3.53 N ATOM 895 NH2 ARG A 58 8.421 1.078 -2.014 1.00 3.98 N ATOM 0 HA ARG A 58 11.547 -3.708 2.209 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.792 -2.710 -0.585 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.001 -4.261 -0.382 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.392 -3.264 1.200 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.208 -1.717 1.087 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.472 -2.825 -1.546 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.088 -2.567 -0.502 1.00 1.75 H new ATOM 0 HE ARG A 58 9.892 -0.275 -0.531 1.00 2.44 H new ATOM 0 HH11 ARG A 58 7.253 -1.915 -2.201 1.00 3.53 H new ATOM 0 HH12 ARG A 58 6.686 -0.444 -2.998 1.00 3.53 H new ATOM 0 HH21 ARG A 58 9.164 1.612 -1.563 1.00 3.98 H new ATOM 0 HH22 ARG A 58 7.764 1.546 -2.639 1.00 3.98 H new ATOM 909 N ILE A 59 12.179 -6.063 1.459 1.00 0.67 N ATOM 910 CA ILE A 59 12.744 -7.399 1.322 1.00 0.66 C ATOM 911 C ILE A 59 12.914 -7.793 -0.139 1.00 0.59 C ATOM 912 O ILE A 59 11.987 -8.298 -0.770 1.00 0.57 O ATOM 913 CB ILE A 59 11.869 -8.457 2.023 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.492 -7.989 3.429 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.595 -9.792 2.079 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.688 -7.671 4.299 1.00 1.64 C ATOM 0 H ILE A 59 11.231 -6.041 1.836 1.00 0.67 H new ATOM 0 HA ILE A 59 13.724 -7.366 1.799 1.00 0.66 H new ATOM 0 HB ILE A 59 10.953 -8.588 1.447 1.00 0.95 H new ATOM 0 HG12 ILE A 59 10.863 -7.102 3.352 1.00 1.05 H new ATOM 0 HG13 ILE A 59 10.896 -8.762 3.913 1.00 1.05 H new ATOM 0 HG21 ILE A 59 11.964 -10.529 2.577 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.816 -10.129 1.066 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.526 -9.677 2.634 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.347 -7.345 5.282 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.307 -8.562 4.407 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.273 -6.876 3.837 1.00 1.64 H new ATOM 928 N GLY A 60 14.110 -7.574 -0.665 1.00 0.70 N ATOM 929 CA GLY A 60 14.383 -7.928 -2.042 1.00 0.77 C ATOM 930 C GLY A 60 14.332 -6.743 -2.984 1.00 0.74 C ATOM 931 O GLY A 60 14.772 -6.844 -4.129 1.00 0.79 O ATOM 0 H GLY A 60 14.895 -7.158 -0.164 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.368 -8.390 -2.103 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.660 -8.675 -2.369 1.00 0.77 H new ATOM 935 N GLY A 61 13.800 -5.616 -2.517 1.00 0.70 N ATOM 936 CA GLY A 61 13.721 -4.442 -3.370 1.00 0.72 C ATOM 937 C GLY A 61 12.435 -3.661 -3.173 1.00 0.74 C ATOM 938 O GLY A 61 11.539 -4.102 -2.456 1.00 1.20 O ATOM 0 H GLY A 61 13.427 -5.495 -1.576 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.571 -3.791 -3.166 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.798 -4.750 -4.413 1.00 0.72 H new ATOM 942 N TYR A 62 12.351 -2.495 -3.808 1.00 0.69 N ATOM 943 CA TYR A 62 11.168 -1.647 -3.691 1.00 0.84 C ATOM 944 C TYR A 62 10.849 -0.958 -5.015 1.00 0.73 C ATOM 945 O TYR A 62 11.723 -0.350 -5.633 1.00 0.97 O ATOM 946 CB TYR A 62 11.390 -0.594 -2.603 1.00 1.36 C ATOM 947 CG TYR A 62 12.682 0.174 -2.763 1.00 1.92 C ATOM 948 CD1 TYR A 62 13.879 -0.329 -2.268 1.00 2.32 C ATOM 949 CD2 TYR A 62 12.706 1.402 -3.413 1.00 2.43 C ATOM 950 CE1 TYR A 62 15.061 0.371 -2.414 1.00 3.05 C ATOM 951 CE2 TYR A 62 13.884 2.107 -3.563 1.00 3.07 C ATOM 952 CZ TYR A 62 15.058 1.588 -3.063 1.00 3.35 C ATOM 953 OH TYR A 62 16.235 2.288 -3.212 1.00 4.10 O ATOM 0 H TYR A 62 13.085 -2.117 -4.407 1.00 0.69 H new ATOM 0 HA TYR A 62 10.322 -2.280 -3.423 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.556 0.108 -2.612 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.385 -1.083 -1.629 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.885 -1.283 -1.761 1.00 2.32 H new ATOM 0 HD2 TYR A 62 11.788 1.812 -3.807 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.983 -0.033 -2.022 1.00 3.05 H new ATOM 0 HE2 TYR A 62 13.885 3.061 -4.070 1.00 3.07 H new ATOM 0 HH TYR A 62 16.060 3.124 -3.692 1.00 4.10 H new ATOM 963 N LYS A 63 9.594 -1.052 -5.443 1.00 0.66 N ATOM 964 CA LYS A 63 9.168 -0.430 -6.693 1.00 0.78 C ATOM 965 C LYS A 63 7.775 0.182 -6.552 1.00 0.67 C ATOM 966 O LYS A 63 6.858 -0.449 -6.028 1.00 0.54 O ATOM 967 CB LYS A 63 9.176 -1.456 -7.824 1.00 1.11 C ATOM 968 CG LYS A 63 10.386 -2.374 -7.795 1.00 1.28 C ATOM 969 CD LYS A 63 10.161 -3.616 -8.643 1.00 1.83 C ATOM 970 CE LYS A 63 10.811 -4.841 -8.020 1.00 2.36 C ATOM 971 NZ LYS A 63 11.690 -5.554 -8.986 1.00 3.18 N ATOM 0 H LYS A 63 8.856 -1.551 -4.945 1.00 0.66 H new ATOM 0 HA LYS A 63 9.871 0.368 -6.931 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.270 -2.059 -7.764 1.00 1.11 H new ATOM 0 HB3 LYS A 63 9.149 -0.933 -8.780 1.00 1.11 H new ATOM 0 HG2 LYS A 63 11.261 -1.836 -8.160 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.598 -2.667 -6.767 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.091 -3.790 -8.759 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.568 -3.455 -9.641 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.396 -4.539 -7.151 1.00 2.36 H new ATOM 0 HE3 LYS A 63 10.037 -5.521 -7.663 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 12.114 -6.383 -8.523 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 11.127 -5.864 -9.804 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 12.444 -4.914 -9.308 1.00 3.18 H new ATOM 985 N VAL A 64 7.629 1.412 -7.027 1.00 0.81 N ATOM 986 CA VAL A 64 6.350 2.110 -6.959 1.00 0.77 C ATOM 987 C VAL A 64 6.063 2.846 -8.262 1.00 0.82 C ATOM 988 O VAL A 64 6.946 3.481 -8.835 1.00 0.89 O ATOM 989 CB VAL A 64 6.324 3.120 -5.797 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.277 2.393 -4.462 1.00 1.49 C ATOM 991 CG2 VAL A 64 7.526 4.048 -5.869 1.00 1.71 C ATOM 0 H VAL A 64 8.379 1.947 -7.463 1.00 0.81 H new ATOM 0 HA VAL A 64 5.582 1.355 -6.791 1.00 0.77 H new ATOM 0 HB VAL A 64 5.423 3.727 -5.885 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.259 3.122 -3.651 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.380 1.776 -4.415 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.158 1.760 -4.361 1.00 1.49 H new ATOM 0 HG21 VAL A 64 7.490 4.755 -5.040 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.443 3.462 -5.807 1.00 1.71 H new ATOM 0 HG23 VAL A 64 7.508 4.594 -6.812 1.00 1.71 H new ATOM 1001 N ARG A 65 4.821 2.753 -8.731 1.00 0.82 N ATOM 1002 CA ARG A 65 4.431 3.411 -9.972 1.00 0.92 C ATOM 1003 C ARG A 65 4.292 4.915 -9.767 1.00 1.03 C ATOM 1004 O ARG A 65 3.418 5.369 -9.031 1.00 1.18 O ATOM 1005 CB ARG A 65 3.112 2.830 -10.484 1.00 0.96 C ATOM 1006 CG ARG A 65 2.855 3.109 -11.954 1.00 1.51 C ATOM 1007 CD ARG A 65 2.641 1.821 -12.736 1.00 2.02 C ATOM 1008 NE ARG A 65 3.244 1.881 -14.065 1.00 2.60 N ATOM 1009 CZ ARG A 65 4.555 1.911 -14.278 1.00 3.22 C ATOM 1010 NH1 ARG A 65 5.397 1.893 -13.253 1.00 3.52 N ATOM 1011 NH2 ARG A 65 5.026 1.964 -15.517 1.00 3.99 N ATOM 0 H ARG A 65 4.073 2.232 -8.273 1.00 0.82 H new ATOM 0 HA ARG A 65 5.211 3.234 -10.712 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.112 1.752 -10.322 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.291 3.241 -9.896 1.00 0.96 H new ATOM 0 HG2 ARG A 65 1.978 3.748 -12.056 1.00 1.51 H new ATOM 0 HG3 ARG A 65 3.699 3.656 -12.375 1.00 1.51 H new ATOM 0 HD2 ARG A 65 3.068 0.985 -12.182 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.572 1.628 -12.831 1.00 2.02 H new ATOM 0 HE ARG A 65 2.624 1.901 -14.875 1.00 2.60 H new ATOM 0 HH11 ARG A 65 5.038 1.856 -12.299 1.00 3.52 H new ATOM 0 HH12 ARG A 65 6.403 1.916 -13.419 1.00 3.52 H new ATOM 0 HH21 ARG A 65 4.381 1.982 -16.307 1.00 3.99 H new ATOM 0 HH22 ARG A 65 6.033 1.987 -15.679 1.00 3.99 H new ATOM 1025 N ASN A 66 5.158 5.680 -10.429 1.00 1.03 N ATOM 1026 CA ASN A 66 5.135 7.135 -10.322 1.00 1.16 C ATOM 1027 C ASN A 66 5.366 7.577 -8.880 1.00 1.03 C ATOM 1028 O ASN A 66 6.471 7.967 -8.505 1.00 1.79 O ATOM 1029 CB ASN A 66 3.801 7.685 -10.830 1.00 1.96 C ATOM 1030 CG ASN A 66 3.947 8.445 -12.134 1.00 2.83 C ATOM 1031 OD1 ASN A 66 3.649 7.921 -13.208 1.00 3.41 O ATOM 1032 ND2 ASN A 66 4.404 9.688 -12.045 1.00 3.48 N ATOM 0 H ASN A 66 5.884 5.315 -11.045 1.00 1.03 H new ATOM 0 HA ASN A 66 5.941 7.533 -10.939 1.00 1.16 H new ATOM 0 HB2 ASN A 66 3.101 6.861 -10.969 1.00 1.96 H new ATOM 0 HB3 ASN A 66 3.372 8.344 -10.075 1.00 1.96 H new ATOM 0 HD21 ASN A 66 4.521 10.250 -12.888 1.00 3.48 H new ATOM 0 HD22 ASN A 66 4.638 10.081 -11.133 1.00 3.48 H new ATOM 1039 N GLN A 67 4.311 7.507 -8.077 1.00 1.15 N ATOM 1040 CA GLN A 67 4.383 7.892 -6.673 1.00 1.99 C ATOM 1041 C GLN A 67 3.201 7.318 -5.897 1.00 1.73 C ATOM 1042 O GLN A 67 3.358 6.831 -4.776 1.00 2.55 O ATOM 1043 CB GLN A 67 4.406 9.415 -6.538 1.00 2.86 C ATOM 1044 CG GLN A 67 5.748 9.963 -6.086 1.00 3.88 C ATOM 1045 CD GLN A 67 6.242 11.094 -6.965 1.00 4.69 C ATOM 1046 OE1 GLN A 67 6.422 10.926 -8.171 1.00 5.12 O ATOM 1047 NE2 GLN A 67 6.467 12.256 -6.363 1.00 5.31 N ATOM 0 H GLN A 67 3.391 7.185 -8.377 1.00 1.15 H new ATOM 0 HA GLN A 67 5.305 7.487 -6.255 1.00 1.99 H new ATOM 0 HB2 GLN A 67 4.145 9.861 -7.498 1.00 2.86 H new ATOM 0 HB3 GLN A 67 3.639 9.720 -5.826 1.00 2.86 H new ATOM 0 HG2 GLN A 67 5.664 10.317 -5.058 1.00 3.88 H new ATOM 0 HG3 GLN A 67 6.484 9.159 -6.087 1.00 3.88 H new ATOM 0 HE21 GLN A 67 6.304 12.351 -5.361 1.00 5.31 H new ATOM 0 HE22 GLN A 67 6.802 13.054 -6.903 1.00 5.31 H new ATOM 1056 N HIS A 68 2.020 7.377 -6.504 1.00 0.89 N ATOM 1057 CA HIS A 68 0.809 6.864 -5.877 1.00 0.62 C ATOM 1058 C HIS A 68 0.070 5.923 -6.828 1.00 0.68 C ATOM 1059 O HIS A 68 0.565 5.610 -7.912 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.108 8.023 -5.472 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.572 8.850 -6.631 1.00 1.42 C ATOM 1062 ND1 HIS A 68 0.278 9.630 -7.387 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.806 9.016 -7.164 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -0.413 10.241 -8.332 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -1.679 9.885 -8.219 1.00 2.83 N ATOM 0 H HIS A 68 1.877 7.776 -7.432 1.00 0.89 H new ATOM 0 HA HIS A 68 1.093 6.306 -4.985 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -0.977 7.623 -4.950 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.420 8.664 -4.766 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -2.719 8.551 -6.823 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -0.011 10.917 -9.072 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -2.440 10.204 -8.819 1.00 2.83 H new ATOM 1074 N TRP A 69 -1.119 5.480 -6.410 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.961 4.575 -7.206 1.00 0.45 C ATOM 1076 C TRP A 69 -1.622 3.112 -6.931 1.00 0.37 C ATOM 1077 O TRP A 69 -2.373 2.415 -6.250 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.853 4.876 -8.709 1.00 0.56 C ATOM 1079 CG TRP A 69 -3.096 4.537 -9.473 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -4.037 3.607 -9.139 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.532 5.124 -10.705 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -5.032 3.580 -10.085 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.745 4.502 -11.057 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -3.014 6.115 -11.544 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -5.448 4.841 -12.209 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.714 6.449 -12.689 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.920 5.814 -13.011 1.00 3.14 C ATOM 0 H TRP A 69 -1.527 5.737 -5.511 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.992 4.750 -6.900 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.629 5.934 -8.845 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.015 4.316 -9.125 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.004 2.983 -8.258 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.851 2.973 -10.067 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -2.085 6.610 -11.303 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -6.378 4.353 -12.461 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -3.324 7.212 -13.346 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -5.444 6.099 -13.912 1.00 3.14 H new ATOM 1098 N SER A 70 -0.492 2.649 -7.454 1.00 0.35 N ATOM 1099 CA SER A 70 -0.074 1.267 -7.247 1.00 0.33 C ATOM 1100 C SER A 70 1.332 1.215 -6.665 1.00 0.36 C ATOM 1101 O SER A 70 2.186 2.041 -6.994 1.00 0.39 O ATOM 1102 CB SER A 70 -0.129 0.480 -8.559 1.00 0.40 C ATOM 1103 OG SER A 70 -1.287 0.812 -9.305 1.00 1.02 O ATOM 0 H SER A 70 0.147 3.206 -8.021 1.00 0.35 H new ATOM 0 HA SER A 70 -0.764 0.808 -6.539 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.762 0.691 -9.151 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.124 -0.589 -8.346 1.00 0.40 H new ATOM 0 HG SER A 70 -1.298 0.297 -10.139 1.00 1.02 H new ATOM 1109 N LEU A 71 1.570 0.230 -5.808 1.00 0.38 N ATOM 1110 CA LEU A 71 2.872 0.056 -5.187 1.00 0.44 C ATOM 1111 C LEU A 71 3.190 -1.431 -5.042 1.00 0.44 C ATOM 1112 O LEU A 71 2.416 -2.178 -4.444 1.00 0.52 O ATOM 1113 CB LEU A 71 2.898 0.747 -3.823 1.00 0.51 C ATOM 1114 CG LEU A 71 1.571 0.713 -3.064 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.812 0.507 -1.576 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.786 1.992 -3.307 1.00 0.80 C ATOM 0 H LEU A 71 0.874 -0.461 -5.528 1.00 0.38 H new ATOM 0 HA LEU A 71 3.633 0.512 -5.821 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.665 0.277 -3.207 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.194 1.787 -3.963 1.00 0.51 H new ATOM 0 HG LEU A 71 0.983 -0.127 -3.435 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.856 0.486 -1.052 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.333 -0.437 -1.419 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.419 1.325 -1.189 1.00 0.98 H new ATOM 0 HD21 LEU A 71 -0.156 1.951 -2.759 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.368 2.847 -2.964 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.582 2.097 -4.373 1.00 0.80 H new ATOM 1128 N ILE A 72 4.320 -1.861 -5.596 1.00 0.39 N ATOM 1129 CA ILE A 72 4.705 -3.266 -5.522 1.00 0.39 C ATOM 1130 C ILE A 72 5.931 -3.479 -4.636 1.00 0.36 C ATOM 1131 O ILE A 72 6.962 -2.824 -4.802 1.00 0.38 O ATOM 1132 CB ILE A 72 4.984 -3.855 -6.920 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.353 -5.336 -6.812 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.090 -3.080 -7.616 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.439 -6.036 -8.151 1.00 1.12 C ATOM 0 H ILE A 72 4.979 -1.264 -6.096 1.00 0.39 H new ATOM 0 HA ILE A 72 3.857 -3.787 -5.078 1.00 0.39 H new ATOM 0 HB ILE A 72 4.076 -3.768 -7.517 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.312 -5.427 -6.301 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.612 -5.843 -6.193 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.272 -3.511 -8.601 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.790 -2.038 -7.726 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.002 -3.135 -7.022 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.705 -7.082 -7.998 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.475 -5.976 -8.655 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.200 -5.554 -8.765 1.00 1.12 H new ATOM 1147 N MET A 73 5.802 -4.412 -3.698 1.00 0.36 N ATOM 1148 CA MET A 73 6.879 -4.744 -2.776 1.00 0.36 C ATOM 1149 C MET A 73 7.198 -6.233 -2.856 1.00 0.33 C ATOM 1150 O MET A 73 6.311 -7.053 -3.088 1.00 0.43 O ATOM 1151 CB MET A 73 6.481 -4.377 -1.347 1.00 0.43 C ATOM 1152 CG MET A 73 5.256 -5.130 -0.852 1.00 0.83 C ATOM 1153 SD MET A 73 4.982 -4.924 0.917 1.00 1.86 S ATOM 1154 CE MET A 73 6.455 -5.699 1.578 1.00 2.56 C ATOM 0 H MET A 73 4.951 -4.956 -3.557 1.00 0.36 H new ATOM 0 HA MET A 73 7.765 -4.174 -3.056 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.319 -4.581 -0.680 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.286 -3.306 -1.295 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.377 -4.782 -1.395 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.371 -6.190 -1.077 1.00 0.83 H new ATOM 0 HE1 MET A 73 6.170 -6.491 2.270 1.00 2.56 H new ATOM 0 HE2 MET A 73 7.040 -6.123 0.762 1.00 2.56 H new ATOM 0 HE3 MET A 73 7.053 -4.955 2.104 1.00 2.56 H new ATOM 1164 N GLU A 74 8.464 -6.579 -2.660 1.00 0.33 N ATOM 1165 CA GLU A 74 8.884 -7.973 -2.711 1.00 0.31 C ATOM 1166 C GLU A 74 8.894 -8.586 -1.314 1.00 0.31 C ATOM 1167 O GLU A 74 9.608 -8.119 -0.428 1.00 0.37 O ATOM 1168 CB GLU A 74 10.273 -8.085 -3.344 1.00 0.37 C ATOM 1169 CG GLU A 74 10.853 -9.488 -3.298 1.00 0.41 C ATOM 1170 CD GLU A 74 11.994 -9.676 -4.280 1.00 0.89 C ATOM 1171 OE1 GLU A 74 12.300 -8.720 -5.024 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.581 -10.778 -4.306 1.00 1.52 O ATOM 0 H GLU A 74 9.215 -5.917 -2.465 1.00 0.33 H new ATOM 0 HA GLU A 74 8.170 -8.523 -3.324 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.217 -7.758 -4.382 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.952 -7.404 -2.832 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.208 -9.698 -2.289 1.00 0.41 H new ATOM 0 HG3 GLU A 74 10.067 -10.210 -3.517 1.00 0.41 H new ATOM 1179 N SER A 75 8.097 -9.633 -1.121 1.00 0.29 N ATOM 1180 CA SER A 75 8.023 -10.300 0.169 1.00 0.33 C ATOM 1181 C SER A 75 8.150 -11.810 0.009 1.00 0.33 C ATOM 1182 O SER A 75 7.170 -12.497 -0.277 1.00 0.38 O ATOM 1183 CB SER A 75 6.705 -9.960 0.867 1.00 0.41 C ATOM 1184 OG SER A 75 6.545 -8.558 1.004 1.00 1.32 O ATOM 0 H SER A 75 7.496 -10.035 -1.841 1.00 0.29 H new ATOM 0 HA SER A 75 8.853 -9.946 0.780 1.00 0.33 H new ATOM 0 HB2 SER A 75 5.872 -10.370 0.296 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.679 -10.430 1.850 1.00 0.41 H new ATOM 0 HG SER A 75 5.660 -8.296 0.675 1.00 1.32 H new ATOM 1190 N VAL A 76 9.360 -12.322 0.209 1.00 0.37 N ATOM 1191 CA VAL A 76 9.605 -13.753 0.102 1.00 0.41 C ATOM 1192 C VAL A 76 9.453 -14.412 1.466 1.00 0.43 C ATOM 1193 O VAL A 76 8.884 -15.497 1.588 1.00 0.46 O ATOM 1194 CB VAL A 76 11.008 -14.054 -0.464 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.053 -13.774 -1.958 1.00 1.54 C ATOM 1196 CG2 VAL A 76 12.068 -13.246 0.268 1.00 1.33 C ATOM 0 H VAL A 76 10.183 -11.768 0.445 1.00 0.37 H new ATOM 0 HA VAL A 76 8.868 -14.161 -0.590 1.00 0.41 H new ATOM 0 HB VAL A 76 11.220 -15.112 -0.308 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.051 -13.992 -2.339 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.324 -14.403 -2.468 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.817 -12.725 -2.139 1.00 1.54 H new ATOM 0 HG21 VAL A 76 13.050 -13.474 -0.147 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.861 -12.182 0.149 1.00 1.33 H new ATOM 0 HG23 VAL A 76 12.054 -13.502 1.327 1.00 1.33 H new ATOM 1206 N VAL A 77 9.956 -13.734 2.492 1.00 0.45 N ATOM 1207 CA VAL A 77 9.870 -14.237 3.860 1.00 0.49 C ATOM 1208 C VAL A 77 8.627 -13.688 4.563 1.00 0.45 C ATOM 1209 O VAL A 77 7.855 -14.443 5.154 1.00 0.47 O ATOM 1210 CB VAL A 77 11.117 -13.881 4.704 1.00 0.57 C ATOM 1211 CG1 VAL A 77 11.379 -14.960 5.743 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.346 -13.681 3.826 1.00 0.77 C ATOM 0 H VAL A 77 10.428 -12.834 2.403 1.00 0.45 H new ATOM 0 HA VAL A 77 9.809 -15.322 3.781 1.00 0.49 H new ATOM 0 HB VAL A 77 10.915 -12.939 5.215 1.00 0.57 H new ATOM 0 HG11 VAL A 77 12.259 -14.695 6.329 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.516 -15.046 6.404 1.00 0.80 H new ATOM 0 HG13 VAL A 77 11.550 -15.913 5.243 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.203 -13.432 4.451 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.553 -14.598 3.275 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.162 -12.869 3.122 1.00 0.77 H new ATOM 1222 N PRO A 78 8.415 -12.357 4.509 1.00 0.43 N ATOM 1223 CA PRO A 78 7.258 -11.712 5.145 1.00 0.41 C ATOM 1224 C PRO A 78 5.926 -12.193 4.574 1.00 0.35 C ATOM 1225 O PRO A 78 4.872 -11.967 5.166 1.00 0.34 O ATOM 1226 CB PRO A 78 7.456 -10.222 4.843 1.00 0.42 C ATOM 1227 CG PRO A 78 8.899 -10.085 4.493 1.00 0.48 C ATOM 1228 CD PRO A 78 9.279 -11.377 3.833 1.00 0.46 C ATOM 0 HA PRO A 78 7.211 -11.943 6.209 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.818 -9.898 4.020 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.200 -9.607 5.706 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.061 -9.240 3.823 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.503 -9.907 5.383 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.097 -11.351 2.759 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.336 -11.606 3.972 1.00 0.46 H new ATOM 1236 N SER A 79 5.977 -12.861 3.423 1.00 0.34 N ATOM 1237 CA SER A 79 4.765 -13.372 2.790 1.00 0.34 C ATOM 1238 C SER A 79 3.960 -14.204 3.775 1.00 0.38 C ATOM 1239 O SER A 79 2.745 -14.342 3.633 1.00 0.39 O ATOM 1240 CB SER A 79 5.119 -14.209 1.560 1.00 0.39 C ATOM 1241 OG SER A 79 4.003 -14.344 0.698 1.00 1.13 O ATOM 0 H SER A 79 6.838 -13.059 2.914 1.00 0.34 H new ATOM 0 HA SER A 79 4.158 -12.523 2.474 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.943 -13.741 1.022 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.462 -15.195 1.873 1.00 0.39 H new ATOM 0 HG SER A 79 4.311 -14.589 -0.200 1.00 1.13 H new ATOM 1247 N ASP A 80 4.633 -14.741 4.788 1.00 0.43 N ATOM 1248 CA ASP A 80 3.956 -15.534 5.800 1.00 0.50 C ATOM 1249 C ASP A 80 2.838 -14.714 6.420 1.00 0.42 C ATOM 1250 O ASP A 80 1.812 -15.254 6.835 1.00 0.47 O ATOM 1251 CB ASP A 80 4.939 -15.995 6.878 1.00 0.62 C ATOM 1252 CG ASP A 80 4.250 -16.721 8.018 1.00 1.27 C ATOM 1253 OD1 ASP A 80 3.370 -17.562 7.739 1.00 2.02 O ATOM 1254 OD2 ASP A 80 4.588 -16.447 9.187 1.00 1.69 O ATOM 0 H ASP A 80 5.639 -14.641 4.927 1.00 0.43 H new ATOM 0 HA ASP A 80 3.535 -16.422 5.329 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.683 -16.653 6.429 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.473 -15.131 7.272 1.00 0.62 H new ATOM 1259 N LYS A 81 3.033 -13.400 6.451 1.00 0.38 N ATOM 1260 CA LYS A 81 2.024 -12.507 6.988 1.00 0.33 C ATOM 1261 C LYS A 81 1.137 -12.007 5.857 1.00 0.26 C ATOM 1262 O LYS A 81 1.564 -11.205 5.025 1.00 0.27 O ATOM 1263 CB LYS A 81 2.679 -11.319 7.700 1.00 0.40 C ATOM 1264 CG LYS A 81 3.984 -11.664 8.398 1.00 0.91 C ATOM 1265 CD LYS A 81 4.690 -10.417 8.904 1.00 1.02 C ATOM 1266 CE LYS A 81 5.775 -9.963 7.942 1.00 0.87 C ATOM 1267 NZ LYS A 81 7.139 -10.186 8.496 1.00 1.23 N ATOM 0 H LYS A 81 3.876 -12.936 6.112 1.00 0.38 H new ATOM 0 HA LYS A 81 1.420 -13.053 7.713 1.00 0.33 H new ATOM 0 HB2 LYS A 81 2.865 -10.529 6.972 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.980 -10.918 8.434 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.785 -12.335 9.233 1.00 0.91 H new ATOM 0 HG3 LYS A 81 4.637 -12.199 7.708 1.00 0.91 H new ATOM 0 HD2 LYS A 81 3.963 -9.616 9.039 1.00 1.02 H new ATOM 0 HD3 LYS A 81 5.129 -10.617 9.881 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.673 -10.502 7.000 1.00 0.87 H new ATOM 0 HE3 LYS A 81 5.643 -8.904 7.719 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.850 -9.863 7.809 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 7.246 -9.651 9.382 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 7.276 -11.200 8.685 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.093 -12.491 5.830 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.024 -12.096 4.794 1.00 0.24 C ATOM 1283 C GLY A 82 -2.025 -11.065 5.279 1.00 0.28 C ATOM 1284 O GLY A 82 -3.228 -11.203 5.069 1.00 0.53 O ATOM 0 H GLY A 82 -0.466 -13.154 6.510 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.470 -11.691 3.947 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.558 -12.976 4.434 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.510 -10.015 5.900 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.337 -8.920 6.390 1.00 0.28 C ATOM 1290 C ASN A 83 -1.813 -7.605 5.829 1.00 0.30 C ATOM 1291 O ASN A 83 -0.680 -7.222 6.109 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.342 -8.890 7.919 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.732 -9.068 8.495 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.391 -10.081 8.258 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -4.187 -8.081 9.257 1.00 0.96 N ATOM 0 H ASN A 83 -0.513 -9.897 6.078 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.364 -9.069 6.056 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.691 -9.678 8.297 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.928 -7.942 8.263 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -5.116 -8.144 9.672 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.607 -7.259 9.427 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.617 -6.927 5.017 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.177 -5.673 4.415 1.00 0.40 C ATOM 1304 C TYR A 84 -3.134 -4.522 4.702 1.00 0.35 C ATOM 1305 O TYR A 84 -4.318 -4.580 4.372 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.009 -5.846 2.904 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.878 -6.779 2.536 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.998 -8.151 2.716 1.00 1.96 C ATOM 1309 CD2 TYR A 84 0.313 -6.285 2.018 1.00 1.74 C ATOM 1310 CE1 TYR A 84 0.037 -9.005 2.387 1.00 2.76 C ATOM 1311 CE2 TYR A 84 1.352 -7.134 1.689 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.210 -8.492 1.876 1.00 2.86 C ATOM 1313 OH TYR A 84 2.243 -9.340 1.552 1.00 3.72 O ATOM 0 H TYR A 84 -3.561 -7.218 4.763 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.218 -5.419 4.867 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.939 -6.228 2.482 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -1.830 -4.871 2.450 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -1.914 -8.556 3.119 1.00 1.96 H new ATOM 0 HD2 TYR A 84 0.428 -5.221 1.870 1.00 1.74 H new ATOM 0 HE1 TYR A 84 -0.072 -10.070 2.530 1.00 2.76 H new ATOM 0 HE2 TYR A 84 2.272 -6.735 1.287 1.00 2.46 H new ATOM 0 HH TYR A 84 1.880 -10.209 1.282 1.00 3.72 H new ATOM 1323 N THR A 85 -2.591 -3.467 5.301 1.00 0.32 N ATOM 1324 CA THR A 85 -3.367 -2.277 5.618 1.00 0.33 C ATOM 1325 C THR A 85 -2.701 -1.039 5.025 1.00 0.29 C ATOM 1326 O THR A 85 -1.539 -0.747 5.317 1.00 0.31 O ATOM 1327 CB THR A 85 -3.532 -2.089 7.139 1.00 0.45 C ATOM 1328 OG1 THR A 85 -3.849 -0.723 7.433 1.00 1.14 O ATOM 1329 CG2 THR A 85 -2.264 -2.488 7.878 1.00 1.00 C ATOM 0 H THR A 85 -1.611 -3.414 5.577 1.00 0.32 H new ATOM 0 HA THR A 85 -4.357 -2.410 5.182 1.00 0.33 H new ATOM 0 HB THR A 85 -4.346 -2.733 7.473 1.00 0.45 H new ATOM 0 HG1 THR A 85 -4.564 -0.418 6.837 1.00 1.14 H new ATOM 0 HG21 THR A 85 -2.407 -2.346 8.949 1.00 1.00 H new ATOM 0 HG22 THR A 85 -2.041 -3.536 7.678 1.00 1.00 H new ATOM 0 HG23 THR A 85 -1.434 -1.869 7.537 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.436 -0.325 4.178 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.909 0.872 3.530 1.00 0.30 C ATOM 1339 C CYS A 86 -3.396 2.142 4.220 1.00 0.30 C ATOM 1340 O CYS A 86 -4.587 2.453 4.206 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.313 0.896 2.054 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.814 2.406 1.165 1.00 0.65 S ATOM 0 H CYS A 86 -4.397 -0.554 3.924 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.822 0.839 3.608 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -2.873 0.032 1.555 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.395 0.788 1.984 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.460 2.882 4.804 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.782 4.133 5.477 1.00 0.30 C ATOM 1349 C VAL A 87 -2.223 5.313 4.691 1.00 0.31 C ATOM 1350 O VAL A 87 -1.019 5.563 4.712 1.00 0.30 O ATOM 1351 CB VAL A 87 -2.214 4.168 6.910 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.581 5.473 7.601 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.710 2.974 7.709 1.00 0.97 C ATOM 0 H VAL A 87 -1.470 2.636 4.824 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.868 4.203 5.532 1.00 0.30 H new ATOM 0 HB VAL A 87 -1.127 4.111 6.851 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -2.171 5.478 8.611 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.170 6.311 7.038 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.666 5.566 7.650 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -2.299 3.015 8.718 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.799 2.997 7.759 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -2.389 2.053 7.224 1.00 0.97 H new ATOM 1363 N VAL A 88 -3.093 6.033 3.990 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.647 7.173 3.199 1.00 0.33 C ATOM 1365 C VAL A 88 -2.840 8.486 3.946 1.00 0.30 C ATOM 1366 O VAL A 88 -3.967 8.903 4.211 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.399 7.252 1.858 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.889 7.456 2.091 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.828 8.366 0.994 1.00 1.50 C ATOM 0 H VAL A 88 -4.096 5.851 3.953 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.584 7.021 3.012 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.266 6.308 1.330 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.403 7.509 1.131 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -5.285 6.621 2.669 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -5.048 8.384 2.640 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.371 8.408 0.050 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.930 9.318 1.514 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -1.774 8.171 0.798 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.729 9.130 4.287 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.769 10.394 5.012 1.00 0.32 C ATOM 1381 C GLU A 89 -1.509 11.571 4.082 1.00 0.31 C ATOM 1382 O GLU A 89 -0.804 11.447 3.078 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.738 10.387 6.143 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.050 11.374 7.257 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.052 12.513 7.321 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.164 12.236 7.355 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.489 13.684 7.336 1.00 1.46 O ATOM 0 H GLU A 89 -0.789 8.797 4.073 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.767 10.507 5.435 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.680 9.383 6.564 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.244 10.617 5.730 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.051 11.780 7.108 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.058 10.848 8.212 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.067 12.726 4.432 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.881 13.940 3.651 1.00 0.36 C ATOM 1396 C ASN A 90 -1.759 15.137 4.585 1.00 0.43 C ATOM 1397 O ASN A 90 -1.853 14.991 5.804 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.042 14.140 2.677 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.376 14.276 3.387 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.845 15.383 3.645 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.994 13.145 3.707 1.00 0.86 N ATOM 0 H ASN A 90 -2.655 12.845 5.257 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.964 13.846 3.069 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.860 15.032 2.077 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.084 13.296 1.988 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.894 13.174 4.186 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.569 12.248 3.474 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.565 16.318 4.019 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.446 17.530 4.822 1.00 0.66 C ATOM 1410 C GLU A 91 -2.789 17.913 5.449 1.00 0.68 C ATOM 1411 O GLU A 91 -2.843 18.766 6.336 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.920 18.688 3.968 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.924 20.028 4.690 1.00 1.15 C ATOM 1414 CD GLU A 91 0.014 21.036 4.056 1.00 1.72 C ATOM 1415 OE1 GLU A 91 1.245 20.857 4.173 1.00 2.24 O ATOM 1416 OE2 GLU A 91 -0.482 22.006 3.443 1.00 2.34 O ATOM 0 H GLU A 91 -1.487 16.465 3.013 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.738 17.328 5.626 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.097 18.460 3.648 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.527 18.769 3.066 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.937 20.432 4.693 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.638 19.876 5.731 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.874 17.301 4.974 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.206 17.608 5.487 1.00 0.68 C ATOM 1425 C TYR A 92 -5.792 16.469 6.323 1.00 0.60 C ATOM 1426 O TYR A 92 -6.932 16.565 6.779 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.151 17.933 4.330 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.461 18.549 4.769 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -7.565 19.916 4.995 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -8.590 17.764 4.961 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -8.760 20.484 5.397 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -9.788 18.324 5.363 1.00 2.05 C ATOM 1433 CZ TYR A 92 -9.867 19.683 5.581 1.00 2.19 C ATOM 1434 OH TYR A 92 -11.058 20.245 5.980 1.00 2.77 O ATOM 0 H TYR A 92 -3.856 16.594 4.239 1.00 0.64 H new ATOM 0 HA TYR A 92 -5.102 18.473 6.142 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.650 18.617 3.645 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.358 17.019 3.774 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -6.698 20.545 4.854 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.531 16.699 4.794 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -8.826 21.549 5.566 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -10.658 17.700 5.506 1.00 2.05 H new ATOM 0 HH TYR A 92 -11.739 19.545 6.063 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.029 15.400 6.535 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.543 14.294 7.329 1.00 0.47 C ATOM 1446 C GLY A 93 -4.895 12.960 7.014 1.00 0.40 C ATOM 1447 O GLY A 93 -4.121 12.841 6.065 1.00 0.40 O ATOM 0 H GLY A 93 -4.081 15.279 6.179 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.395 14.518 8.385 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.618 14.212 7.168 1.00 0.47 H new ATOM 1451 N SER A 94 -5.225 11.952 7.820 1.00 0.38 N ATOM 1452 CA SER A 94 -4.687 10.608 7.638 1.00 0.34 C ATOM 1453 C SER A 94 -5.809 9.576 7.620 1.00 0.34 C ATOM 1454 O SER A 94 -6.708 9.607 8.460 1.00 0.38 O ATOM 1455 CB SER A 94 -3.685 10.277 8.746 1.00 0.35 C ATOM 1456 OG SER A 94 -4.336 9.721 9.875 1.00 1.04 O ATOM 0 H SER A 94 -5.866 12.043 8.609 1.00 0.38 H new ATOM 0 HA SER A 94 -4.171 10.576 6.678 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.941 9.575 8.369 1.00 0.35 H new ATOM 0 HB3 SER A 94 -3.151 11.181 9.039 1.00 0.35 H new ATOM 0 HG SER A 94 -3.673 9.517 10.567 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.754 8.663 6.655 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.772 7.625 6.522 1.00 0.34 C ATOM 1464 C ILE A 95 -6.159 6.232 6.665 1.00 0.31 C ATOM 1465 O ILE A 95 -4.973 6.038 6.398 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.515 7.713 5.168 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.503 9.152 4.628 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.943 7.206 5.321 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.436 9.378 3.457 1.00 0.47 C ATOM 0 H ILE A 95 -5.015 8.621 5.953 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.490 7.792 7.325 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.996 7.082 4.447 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.776 9.834 5.434 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.488 9.407 4.325 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.457 7.272 4.362 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.927 6.168 5.653 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.468 7.814 6.057 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.370 10.417 3.134 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.151 8.723 2.633 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.460 9.157 3.759 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.971 5.267 7.093 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.498 3.896 7.277 1.00 0.34 C ATOM 1483 C ASN A 96 -7.388 2.894 6.545 1.00 0.34 C ATOM 1484 O ASN A 96 -8.614 3.021 6.539 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.449 3.551 8.766 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.873 4.675 9.602 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -6.666 5.721 9.809 1.00 2.04 O flip ATOM 1488 ND2 ASN A 96 -4.732 4.606 10.058 1.00 1.12 N flip ATOM 0 H ASN A 96 -7.956 5.408 7.318 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.495 3.832 6.854 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.455 3.321 9.116 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.849 2.652 8.908 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -4.158 3.783 9.874 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -4.360 5.372 10.620 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.760 1.889 5.936 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.489 0.851 5.208 1.00 0.34 C ATOM 1497 C HIS A 97 -6.932 -0.536 5.531 1.00 0.33 C ATOM 1498 O HIS A 97 -5.720 -0.741 5.509 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.416 1.114 3.702 1.00 0.36 C ATOM 1500 CG HIS A 97 -8.034 2.416 3.297 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -9.169 3.024 3.715 1.00 1.25 N flip ATOM 1502 CD2 HIS A 97 -7.477 3.257 2.355 1.00 1.06 C flip ATOM 1503 CE1 HIS A 97 -9.277 4.208 3.027 1.00 1.06 C flip ATOM 1504 NE2 HIS A 97 -8.242 4.325 2.214 1.00 0.85 N flip ATOM 0 H HIS A 97 -5.747 1.771 5.932 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.532 0.880 5.523 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.372 1.102 3.388 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.917 0.302 3.174 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -6.559 3.071 1.817 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.077 4.926 3.133 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -8.064 5.107 1.584 1.00 0.85 H new ATOM 1513 N THR A 98 -7.821 -1.482 5.835 1.00 0.35 N ATOM 1514 CA THR A 98 -7.404 -2.845 6.165 1.00 0.35 C ATOM 1515 C THR A 98 -7.770 -3.826 5.053 1.00 0.35 C ATOM 1516 O THR A 98 -8.819 -3.700 4.421 1.00 0.36 O ATOM 1517 CB THR A 98 -8.041 -3.323 7.483 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.812 -2.356 8.517 1.00 1.33 O ATOM 1519 CG2 THR A 98 -7.467 -4.667 7.906 1.00 1.36 C ATOM 0 H THR A 98 -8.829 -1.331 5.860 1.00 0.35 H new ATOM 0 HA THR A 98 -6.320 -2.821 6.278 1.00 0.35 H new ATOM 0 HB THR A 98 -9.113 -3.437 7.322 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.222 -2.666 9.352 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.932 -4.984 8.839 1.00 1.36 H new ATOM 0 HG22 THR A 98 -7.666 -5.408 7.132 1.00 1.36 H new ATOM 0 HG23 THR A 98 -6.391 -4.574 8.051 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.894 -4.802 4.812 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.127 -5.800 3.769 1.00 0.42 C ATOM 1529 C TYR A 99 -6.753 -7.209 4.244 1.00 0.42 C ATOM 1530 O TYR A 99 -5.805 -7.382 5.010 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.337 -5.427 2.519 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.352 -3.946 2.220 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.554 -3.271 2.045 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.171 -3.224 2.112 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.578 -1.916 1.772 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.187 -1.870 1.839 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.392 -1.221 1.669 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.412 0.128 1.396 1.00 0.96 O ATOM 0 H TYR A 99 -6.020 -4.922 5.323 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.191 -5.809 3.534 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.305 -5.756 2.639 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.746 -5.967 1.665 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.484 -3.814 2.124 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.225 -3.729 2.243 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.520 -1.405 1.640 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.260 -1.322 1.759 1.00 0.96 H new ATOM 0 HH TYR A 99 -7.340 0.430 1.305 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.526 -8.210 3.809 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.280 -9.594 4.230 1.00 0.44 C ATOM 1550 C HIS A 100 -6.668 -10.471 3.129 1.00 0.42 C ATOM 1551 O HIS A 100 -7.357 -10.977 2.244 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.586 -10.220 4.722 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.248 -9.435 5.812 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.471 -8.818 5.660 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -8.846 -9.161 7.077 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.795 -8.199 6.782 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -9.825 -8.392 7.656 1.00 1.70 N ATOM 0 H HIS A 100 -8.316 -8.091 3.175 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.546 -9.550 5.035 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.274 -10.313 3.882 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.384 -11.229 5.082 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -7.927 -9.487 7.542 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -11.698 -7.633 6.954 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -9.806 -8.028 8.609 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.368 -10.699 3.232 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.657 -11.551 2.286 1.00 0.45 C ATOM 1568 C LEU A 101 -4.472 -12.937 2.891 1.00 0.48 C ATOM 1569 O LEU A 101 -4.404 -13.075 4.110 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.303 -10.941 1.920 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.335 -9.983 0.728 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -3.904 -8.635 1.141 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -1.941 -9.819 0.138 1.00 1.63 C ATOM 0 H LEU A 101 -4.779 -10.304 3.965 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.245 -11.634 1.372 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.914 -10.408 2.787 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.603 -11.748 1.702 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.984 -10.408 -0.038 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -3.919 -7.967 0.280 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -4.919 -8.768 1.515 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -3.282 -8.202 1.925 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -1.983 -9.134 -0.709 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -1.270 -9.417 0.897 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -1.571 -10.788 -0.197 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.379 -13.969 2.057 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.190 -15.321 2.567 1.00 0.57 C ATOM 1587 C ASP A 102 -2.894 -15.908 2.021 1.00 0.54 C ATOM 1588 O ASP A 102 -2.591 -15.765 0.838 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.374 -16.209 2.183 1.00 0.65 C ATOM 1590 CG ASP A 102 -6.700 -15.478 2.271 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -7.317 -15.498 3.357 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -7.120 -14.886 1.255 1.00 2.34 O ATOM 0 H ASP A 102 -4.431 -13.897 1.041 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.129 -15.278 3.654 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.233 -16.578 1.167 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.399 -17.080 2.838 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.130 -16.563 2.888 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.861 -17.159 2.487 1.00 0.68 C ATOM 1599 C VAL A 103 -1.076 -18.461 1.726 1.00 0.66 C ATOM 1600 O VAL A 103 -1.704 -19.393 2.230 1.00 0.75 O ATOM 1601 CB VAL A 103 0.036 -17.437 3.708 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.375 -18.008 3.268 1.00 1.56 C ATOM 1603 CG2 VAL A 103 0.229 -16.169 4.526 1.00 1.60 C ATOM 0 H VAL A 103 -2.367 -16.695 3.871 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.368 -16.439 1.834 1.00 0.68 H new ATOM 0 HB VAL A 103 -0.457 -18.177 4.339 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.995 -18.198 4.144 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.213 -18.941 2.729 1.00 1.56 H new ATOM 0 HG13 VAL A 103 1.878 -17.295 2.615 1.00 1.56 H new ATOM 0 HG21 VAL A 103 0.865 -16.383 5.385 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.700 -15.405 3.907 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -0.740 -15.809 4.873 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.547 -18.517 0.507 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.679 -19.706 -0.325 1.00 0.73 C ATOM 1615 C VAL A 104 0.690 -20.272 -0.688 1.00 0.83 C ATOM 1616 O VAL A 104 1.486 -19.618 -1.364 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.455 -19.402 -1.620 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.950 -19.351 -1.348 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -0.974 -18.099 -2.238 1.00 1.27 C ATOM 0 H VAL A 104 -0.025 -17.755 0.076 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.234 -20.442 0.257 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.266 -20.206 -2.331 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.481 -19.135 -2.275 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -3.281 -20.312 -0.955 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -3.161 -18.569 -0.618 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -1.534 -17.901 -3.152 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -1.130 -17.282 -1.533 1.00 1.27 H new ATOM 0 HG23 VAL A 104 0.088 -18.178 -2.473 1.00 1.27 H new