USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1230 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 123 THR OG1 : rot -70:sc= 0.651 USER MOD Set 1.2: A 125 HIS : no HD1:sc= -0.995 K(o=-0.34,f=0.3) USER MOD Set 2.1: A 33 ASN : amide:sc= -3.44! C(o=-7.6!,f=-11!) USER MOD Set 2.2: A 84 ASN : amide:sc= -4.19! C(o=-7.6!,f=-11!) USER MOD Single : A 1 ASN : amide:sc= -3.88! K(o=-3.9!,f=-1.2) USER MOD Single : A 1 ASN N :NH3+ 174:sc= 0 (180deg=-0.116) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -9.56! C(o=-9.6!,f=-13!) USER MOD Single : A 9 SER OG : rot 160:sc= 1.07 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0.131 (180deg=-0.372!) USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 0.774 (180deg=-0.124) USER MOD Single : A 18 THR OG1 : rot -95:sc= 1.18 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.11 (180deg=-0.137) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.414 USER MOD Single : A 34 ASN : amide:sc= 0.911 K(o=0.91,f=-10!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 38 THR OG1 : rot 21:sc= 0.835 USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 0 (180deg=-1.93!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.132) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.2 (180deg=0.992) USER MOD Single : A 54 TYR OH : rot 21:sc= 1.27 USER MOD Single : A 59 GLN : amide:sc= -3.69! C(o=-3.7!,f=-4.5!) USER MOD Single : A 63 HIS : no HD1:sc= -0.631 K(o=-0.58,f=-1.6) USER MOD Single : A 64 THR OG1 : rot 45:sc= 0.135 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0.787) USER MOD Single : A 76 THR OG1 : rot -81:sc= 0.606 USER MOD Single : A 93 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.23) USER MOD Single : A 94 SER OG : rot 8:sc= 0.753 USER MOD Single : A 95 SER OG : rot -91:sc= 1.44 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= -0.0973 (180deg=-0.531) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -6:sc= 0.679 USER MOD Single : A 115 HIS : no HE2:sc= -4.84! C(o=-3.6!,f=-12!) USER MOD Single : A 116 THR OG1 : rot 136:sc= 1.16 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 121 MET CE :methyl -161:sc= -0.126 (180deg=-0.625) USER MOD Single : A 124 LYS NZ :NH3+ -164:sc= -0.0263 (180deg=-0.277) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc= -0.0279 (180deg=-0.293) USER MOD Single : A 131 ASN : amide:sc=-0.00318 K(o=-0.0032,f=-1.1) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 131:sc= 0.979 USER MOD Single : A 142 GLN : amide:sc= -0.0632 X(o=-0.063,f=-0.061) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -0.336 K(o=-0.34,f=-0.88) USER MOD Single : A 147 LYS NZ :NH3+ 174:sc= 2.3 (180deg=1.81) USER MOD Single : A 154 LYS NZ :NH3+ -142:sc= 1.56 (180deg=0.941) USER MOD Single : A 155 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0962) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.125 12.635 -8.417 1.00 1.65 N ATOM 2 CA ASN A 1 6.020 12.987 -6.982 1.00 1.32 C ATOM 3 C ASN A 1 7.059 12.241 -6.150 1.00 1.24 C ATOM 4 O ASN A 1 7.023 11.017 -6.053 1.00 1.61 O ATOM 5 CB ASN A 1 4.600 12.699 -6.463 1.00 1.23 C ATOM 6 CG ASN A 1 4.106 11.303 -6.813 1.00 1.26 C ATOM 7 OD1 ASN A 1 3.586 11.078 -7.903 1.00 1.66 O ATOM 8 ND2 ASN A 1 4.236 10.364 -5.888 1.00 1.42 N ATOM 0 H1 ASN A 1 5.344 13.078 -8.941 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.032 12.978 -8.793 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.073 11.602 -8.526 1.00 1.65 H new ATOM 0 HA ASN A 1 6.219 14.054 -6.881 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.584 12.822 -5.380 1.00 1.23 H new ATOM 0 HB3 ASN A 1 3.912 13.436 -6.878 1.00 1.23 H new ATOM 0 HD21 ASN A 1 3.899 9.419 -6.070 1.00 1.42 H new ATOM 0 HD22 ASN A 1 4.673 10.586 -4.994 1.00 1.42 H new ATOM 17 N TYR A 2 7.999 12.997 -5.583 1.00 1.16 N ATOM 18 CA TYR A 2 9.022 12.459 -4.677 1.00 1.12 C ATOM 19 C TYR A 2 9.887 13.592 -4.145 1.00 1.22 C ATOM 20 O TYR A 2 10.173 13.650 -2.958 1.00 1.20 O ATOM 21 CB TYR A 2 9.900 11.395 -5.368 1.00 1.31 C ATOM 22 CG TYR A 2 10.679 11.889 -6.574 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.002 12.304 -6.449 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.096 11.936 -7.833 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.716 12.751 -7.544 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.803 12.381 -8.931 1.00 2.43 C ATOM 27 CZ TYR A 2 12.113 12.789 -8.781 1.00 2.97 C ATOM 28 OH TYR A 2 12.819 13.238 -9.873 1.00 3.73 O ATOM 0 H TYR A 2 8.075 14.002 -5.737 1.00 1.16 H new ATOM 0 HA TYR A 2 8.511 11.970 -3.848 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.605 10.997 -4.638 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.263 10.567 -5.680 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.478 12.276 -5.480 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.071 11.619 -7.955 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.742 13.069 -7.430 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.334 12.410 -9.903 1.00 2.43 H new ATOM 0 HH TYR A 2 12.249 13.200 -10.669 1.00 3.73 H new ATOM 38 N ASP A 3 10.257 14.512 -5.031 1.00 1.44 N ATOM 39 CA ASP A 3 11.157 15.611 -4.685 1.00 1.65 C ATOM 40 C ASP A 3 10.607 16.468 -3.537 1.00 1.53 C ATOM 41 O ASP A 3 11.294 16.656 -2.532 1.00 1.62 O ATOM 42 CB ASP A 3 11.444 16.466 -5.926 1.00 1.99 C ATOM 43 CG ASP A 3 12.217 17.729 -5.609 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.422 17.633 -5.285 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.636 18.827 -5.720 1.00 2.63 O ATOM 0 H ASP A 3 9.945 14.519 -6.002 1.00 1.44 H new ATOM 0 HA ASP A 3 12.093 15.178 -4.331 1.00 1.65 H new ATOM 0 HB2 ASP A 3 12.007 15.873 -6.646 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.501 16.734 -6.402 1.00 1.99 H new ATOM 50 N PRO A 4 9.379 17.013 -3.657 1.00 1.46 N ATOM 51 CA PRO A 4 8.747 17.752 -2.581 1.00 1.45 C ATOM 52 C PRO A 4 7.868 16.859 -1.702 1.00 1.27 C ATOM 53 O PRO A 4 8.155 16.652 -0.521 1.00 1.34 O ATOM 54 CB PRO A 4 7.895 18.790 -3.323 1.00 1.61 C ATOM 55 CG PRO A 4 7.829 18.338 -4.757 1.00 1.63 C ATOM 56 CD PRO A 4 8.521 17.005 -4.841 1.00 1.52 C ATOM 0 HA PRO A 4 9.475 18.189 -1.898 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.897 18.855 -2.890 1.00 1.61 H new ATOM 0 HB3 PRO A 4 8.340 19.782 -3.249 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.793 18.254 -5.086 1.00 1.63 H new ATOM 0 HG3 PRO A 4 8.313 19.064 -5.411 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.811 16.178 -4.821 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.099 16.906 -5.760 1.00 1.52 H new ATOM 64 N PHE A 5 6.797 16.328 -2.288 1.00 1.17 N ATOM 65 CA PHE A 5 5.853 15.492 -1.559 1.00 1.11 C ATOM 66 C PHE A 5 5.342 14.360 -2.448 1.00 0.94 C ATOM 67 O PHE A 5 5.193 14.531 -3.660 1.00 1.01 O ATOM 68 CB PHE A 5 4.648 16.322 -1.083 1.00 1.40 C ATOM 69 CG PHE A 5 4.992 17.491 -0.199 1.00 1.63 C ATOM 70 CD1 PHE A 5 5.097 18.769 -0.727 1.00 1.75 C ATOM 71 CD2 PHE A 5 5.203 17.312 1.157 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.406 19.844 0.084 1.00 2.39 C ATOM 73 CE2 PHE A 5 5.513 18.382 1.972 1.00 3.21 C ATOM 74 CZ PHE A 5 5.615 19.651 1.435 1.00 3.19 C ATOM 0 H PHE A 5 6.563 16.465 -3.271 1.00 1.17 H new ATOM 0 HA PHE A 5 6.376 15.077 -0.697 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.112 16.692 -1.957 1.00 1.40 H new ATOM 0 HB3 PHE A 5 3.964 15.666 -0.544 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.936 18.926 -1.783 1.00 1.75 H new ATOM 0 HD2 PHE A 5 5.124 16.323 1.583 1.00 2.34 H new ATOM 0 HE1 PHE A 5 5.484 20.835 -0.339 1.00 2.39 H new ATOM 0 HE2 PHE A 5 5.676 18.227 3.028 1.00 3.21 H new ATOM 0 HZ PHE A 5 5.858 20.490 2.071 1.00 3.19 H new ATOM 84 N VAL A 6 5.100 13.205 -1.849 1.00 0.85 N ATOM 85 CA VAL A 6 4.373 12.130 -2.507 1.00 0.79 C ATOM 86 C VAL A 6 2.968 12.069 -1.940 1.00 0.69 C ATOM 87 O VAL A 6 2.790 11.995 -0.723 1.00 0.77 O ATOM 88 CB VAL A 6 5.048 10.753 -2.306 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.129 9.616 -2.739 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.379 10.686 -3.036 1.00 1.41 C ATOM 0 H VAL A 6 5.400 12.986 -0.899 1.00 0.85 H new ATOM 0 HA VAL A 6 4.362 12.344 -3.576 1.00 0.79 H new ATOM 0 HB VAL A 6 5.243 10.633 -1.240 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.633 8.662 -2.585 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.214 9.643 -2.147 1.00 1.44 H new ATOM 0 HG13 VAL A 6 3.882 9.730 -3.795 1.00 1.44 H new ATOM 0 HG21 VAL A 6 6.832 9.707 -2.878 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.217 10.843 -4.102 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.044 11.460 -2.652 1.00 1.41 H new ATOM 100 N ARG A 7 1.977 12.113 -2.805 1.00 0.64 N ATOM 101 CA ARG A 7 0.605 12.034 -2.362 1.00 0.56 C ATOM 102 C ARG A 7 -0.148 10.966 -3.122 1.00 0.54 C ATOM 103 O ARG A 7 -0.027 10.845 -4.341 1.00 0.64 O ATOM 104 CB ARG A 7 -0.098 13.382 -2.521 1.00 0.57 C ATOM 105 CG ARG A 7 -1.585 13.333 -2.197 1.00 0.57 C ATOM 106 CD ARG A 7 -2.154 14.727 -2.014 1.00 0.71 C ATOM 107 NE ARG A 7 -2.374 15.010 -0.600 1.00 1.61 N ATOM 108 CZ ARG A 7 -1.516 15.651 0.192 1.00 2.25 C ATOM 109 NH1 ARG A 7 -0.427 16.217 -0.313 1.00 2.26 N ATOM 110 NH2 ARG A 7 -1.773 15.748 1.490 1.00 3.37 N ATOM 0 H ARG A 7 2.097 12.203 -3.814 1.00 0.64 H new ATOM 0 HA ARG A 7 0.614 11.768 -1.305 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.384 14.113 -1.871 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.031 13.732 -3.545 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -2.118 12.823 -2.999 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.743 12.751 -1.289 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.470 15.463 -2.436 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -3.094 14.817 -2.559 1.00 0.71 H new ATOM 0 HE ARG A 7 -3.251 14.693 -0.187 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -0.242 16.163 -1.315 1.00 2.26 H new ATOM 0 HH12 ARG A 7 0.225 16.706 0.300 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.622 15.333 1.874 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -1.121 16.237 2.104 1.00 3.37 H new ATOM 124 N HIS A 8 -0.907 10.181 -2.388 1.00 0.47 N ATOM 125 CA HIS A 8 -1.836 9.256 -2.996 1.00 0.46 C ATOM 126 C HIS A 8 -3.235 9.763 -2.746 1.00 0.39 C ATOM 127 O HIS A 8 -3.596 10.078 -1.620 1.00 0.39 O ATOM 128 CB HIS A 8 -1.619 7.837 -2.421 1.00 0.56 C ATOM 129 CG HIS A 8 -2.820 6.925 -2.350 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.987 5.997 -1.338 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.873 6.752 -3.180 1.00 0.79 C ATOM 132 CE1 HIS A 8 -4.085 5.299 -1.554 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.639 5.735 -2.664 1.00 0.76 N ATOM 0 H HIS A 8 -0.898 10.166 -1.368 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.674 9.190 -4.072 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.856 7.343 -3.022 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -1.214 7.940 -1.414 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.357 5.872 -0.546 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -4.075 7.310 -4.082 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.464 4.506 -0.927 1.00 0.41 H new ATOM 142 N SER A 9 -4.014 9.822 -3.797 1.00 0.42 N ATOM 143 CA SER A 9 -5.383 10.223 -3.684 1.00 0.40 C ATOM 144 C SER A 9 -6.249 9.314 -4.527 1.00 0.41 C ATOM 145 O SER A 9 -6.175 9.311 -5.757 1.00 0.53 O ATOM 146 CB SER A 9 -5.547 11.689 -4.096 1.00 0.52 C ATOM 147 OG SER A 9 -6.803 12.205 -3.693 1.00 1.28 O ATOM 0 H SER A 9 -3.715 9.594 -4.745 1.00 0.42 H new ATOM 0 HA SER A 9 -5.701 10.136 -2.645 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.749 12.284 -3.652 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.447 11.777 -5.178 1.00 0.52 H new ATOM 0 HG SER A 9 -6.763 13.184 -3.672 1.00 1.28 H new ATOM 153 N VAL A 10 -7.030 8.513 -3.841 1.00 0.35 N ATOM 154 CA VAL A 10 -7.921 7.559 -4.484 1.00 0.36 C ATOM 155 C VAL A 10 -9.363 7.786 -4.058 1.00 0.32 C ATOM 156 O VAL A 10 -9.643 7.993 -2.873 1.00 0.32 O ATOM 157 CB VAL A 10 -7.493 6.106 -4.159 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.686 5.165 -4.066 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.511 5.606 -5.202 1.00 1.18 C ATOM 0 H VAL A 10 -7.070 8.499 -2.822 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.852 7.713 -5.561 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.011 6.117 -3.182 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.338 4.158 -3.837 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.357 5.505 -3.278 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.218 5.157 -5.017 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.217 4.584 -4.964 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.981 5.629 -6.185 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.629 6.246 -5.207 1.00 1.18 H new ATOM 169 N THR A 11 -10.265 7.772 -5.028 1.00 0.35 N ATOM 170 CA THR A 11 -11.681 7.816 -4.737 1.00 0.34 C ATOM 171 C THR A 11 -12.228 6.398 -4.624 1.00 0.33 C ATOM 172 O THR A 11 -12.227 5.637 -5.591 1.00 0.43 O ATOM 173 CB THR A 11 -12.453 8.575 -5.834 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.864 9.866 -6.047 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.918 8.737 -5.452 1.00 0.51 C ATOM 0 H THR A 11 -10.037 7.730 -6.021 1.00 0.35 H new ATOM 0 HA THR A 11 -11.815 8.343 -3.793 1.00 0.34 H new ATOM 0 HB THR A 11 -12.396 7.994 -6.755 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.360 10.340 -6.747 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.442 9.276 -6.241 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.371 7.754 -5.321 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.991 9.297 -4.520 1.00 0.51 H new ATOM 183 N VAL A 12 -12.686 6.049 -3.440 1.00 0.29 N ATOM 184 CA VAL A 12 -13.285 4.753 -3.202 1.00 0.35 C ATOM 185 C VAL A 12 -14.803 4.869 -3.295 1.00 0.32 C ATOM 186 O VAL A 12 -15.411 5.727 -2.655 1.00 0.36 O ATOM 187 CB VAL A 12 -12.862 4.199 -1.825 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.716 3.006 -1.424 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.386 3.825 -1.852 1.00 0.81 C ATOM 0 H VAL A 12 -12.654 6.653 -2.619 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.935 4.055 -3.962 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.017 4.976 -1.077 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.393 2.639 -0.450 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.762 3.309 -1.370 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.606 2.214 -2.165 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.092 3.434 -0.878 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.217 3.064 -2.614 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.791 4.708 -2.083 1.00 0.81 H new ATOM 199 N LYS A 13 -15.400 4.010 -4.108 1.00 0.34 N ATOM 200 CA LYS A 13 -16.826 4.084 -4.401 1.00 0.38 C ATOM 201 C LYS A 13 -17.605 2.995 -3.668 1.00 0.31 C ATOM 202 O LYS A 13 -18.622 2.508 -4.168 1.00 0.37 O ATOM 203 CB LYS A 13 -17.072 3.978 -5.917 1.00 0.58 C ATOM 204 CG LYS A 13 -16.065 3.113 -6.670 1.00 0.68 C ATOM 205 CD LYS A 13 -14.838 3.918 -7.085 1.00 0.97 C ATOM 206 CE LYS A 13 -13.947 3.140 -8.043 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.638 2.846 -9.327 1.00 0.98 N ATOM 0 H LYS A 13 -14.915 3.247 -4.581 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.184 5.051 -4.049 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.071 3.574 -6.081 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.059 4.981 -6.344 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -15.758 2.278 -6.040 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.539 2.687 -7.555 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -15.156 4.847 -7.558 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.266 4.192 -6.198 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.040 3.712 -8.241 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.639 2.206 -7.574 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.141 2.077 -9.821 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.619 2.557 -9.135 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -14.638 3.698 -9.924 1.00 0.98 H new ATOM 221 N ALA A 14 -17.148 2.637 -2.473 1.00 0.29 N ATOM 222 CA ALA A 14 -17.811 1.600 -1.690 1.00 0.30 C ATOM 223 C ALA A 14 -17.571 1.787 -0.192 1.00 0.28 C ATOM 224 O ALA A 14 -17.535 0.811 0.561 1.00 0.31 O ATOM 225 CB ALA A 14 -17.343 0.224 -2.138 1.00 0.36 C ATOM 0 H ALA A 14 -16.327 3.046 -2.027 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.884 1.683 -1.864 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.845 -0.542 -1.546 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.583 0.083 -3.192 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.265 0.143 -1.997 1.00 0.36 H new ATOM 231 N ASP A 15 -17.423 3.045 0.228 1.00 0.28 N ATOM 232 CA ASP A 15 -17.262 3.397 1.647 1.00 0.31 C ATOM 233 C ASP A 15 -15.887 2.981 2.201 1.00 0.28 C ATOM 234 O ASP A 15 -15.135 2.214 1.585 1.00 0.29 O ATOM 235 CB ASP A 15 -18.401 2.798 2.494 1.00 0.39 C ATOM 236 CG ASP A 15 -18.364 3.243 3.946 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.748 2.542 4.772 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.930 4.305 4.268 1.00 0.76 O ATOM 0 H ASP A 15 -17.411 3.848 -0.400 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.316 4.484 1.714 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.358 3.083 2.058 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.343 1.710 2.452 1.00 0.39 H new ATOM 243 N ARG A 16 -15.573 3.504 3.380 1.00 0.28 N ATOM 244 CA ARG A 16 -14.266 3.346 3.995 1.00 0.27 C ATOM 245 C ARG A 16 -14.047 1.923 4.494 1.00 0.28 C ATOM 246 O ARG A 16 -12.905 1.498 4.675 1.00 0.28 O ATOM 247 CB ARG A 16 -14.123 4.346 5.144 1.00 0.29 C ATOM 248 CG ARG A 16 -12.690 4.697 5.485 1.00 0.28 C ATOM 249 CD ARG A 16 -12.602 6.048 6.179 1.00 0.40 C ATOM 250 NE ARG A 16 -13.481 6.138 7.344 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.246 6.933 8.385 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.200 7.750 8.371 1.00 1.37 N ATOM 253 NH2 ARG A 16 -14.066 6.918 9.428 1.00 1.88 N ATOM 0 H ARG A 16 -16.226 4.054 3.939 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.504 3.543 3.241 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.657 5.260 4.884 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.606 3.935 6.031 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.268 3.926 6.130 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -12.091 4.714 4.575 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.573 6.227 6.490 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.862 6.834 5.470 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.321 5.559 7.360 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.578 7.768 7.563 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.019 8.360 9.168 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.876 6.298 9.431 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.887 7.527 10.226 1.00 1.88 H new ATOM 267 N LYS A 17 -15.137 1.192 4.726 1.00 0.33 N ATOM 268 CA LYS A 17 -15.032 -0.197 5.172 1.00 0.39 C ATOM 269 C LYS A 17 -14.243 -1.009 4.156 1.00 0.35 C ATOM 270 O LYS A 17 -13.282 -1.696 4.501 1.00 0.37 O ATOM 271 CB LYS A 17 -16.410 -0.841 5.359 1.00 0.53 C ATOM 272 CG LYS A 17 -17.390 -0.004 6.157 1.00 1.34 C ATOM 273 CD LYS A 17 -16.825 0.432 7.498 1.00 1.70 C ATOM 274 CE LYS A 17 -17.795 1.358 8.209 1.00 2.46 C ATOM 275 NZ LYS A 17 -18.085 2.577 7.404 1.00 3.05 N ATOM 0 H LYS A 17 -16.092 1.533 4.614 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.520 -0.192 6.134 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.839 -1.043 4.378 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.284 -1.803 5.856 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -17.665 0.878 5.578 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -18.303 -0.576 6.320 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -16.628 -0.443 8.118 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -15.872 0.939 7.350 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.725 0.826 8.411 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -17.379 1.649 9.173 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -17.863 3.424 7.965 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -17.503 2.570 6.542 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -19.091 2.589 7.142 1.00 3.05 H new ATOM 289 N THR A 18 -14.646 -0.903 2.896 1.00 0.35 N ATOM 290 CA THR A 18 -13.999 -1.637 1.826 1.00 0.36 C ATOM 291 C THR A 18 -12.630 -1.048 1.524 1.00 0.33 C ATOM 292 O THR A 18 -11.683 -1.784 1.257 1.00 0.37 O ATOM 293 CB THR A 18 -14.855 -1.638 0.548 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.153 -0.292 0.168 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.148 -2.409 0.767 1.00 0.80 C ATOM 0 H THR A 18 -15.421 -0.313 2.594 1.00 0.35 H new ATOM 0 HA THR A 18 -13.881 -2.667 2.162 1.00 0.36 H new ATOM 0 HB THR A 18 -14.292 -2.126 -0.248 1.00 0.41 H new ATOM 0 HG1 THR A 18 -16.029 -0.037 0.526 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.738 -2.397 -0.149 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.916 -3.440 1.036 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.717 -1.943 1.571 1.00 0.80 H new ATOM 303 N ALA A 19 -12.520 0.279 1.594 1.00 0.29 N ATOM 304 CA ALA A 19 -11.245 0.944 1.353 1.00 0.29 C ATOM 305 C ALA A 19 -10.166 0.398 2.285 1.00 0.28 C ATOM 306 O ALA A 19 -9.061 0.081 1.852 1.00 0.32 O ATOM 307 CB ALA A 19 -11.383 2.451 1.525 1.00 0.31 C ATOM 0 H ALA A 19 -13.293 0.908 1.814 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.946 0.741 0.325 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.420 2.928 1.341 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -12.118 2.832 0.816 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.709 2.673 2.541 1.00 0.31 H new ATOM 313 N PHE A 20 -10.508 0.261 3.556 1.00 0.25 N ATOM 314 CA PHE A 20 -9.581 -0.264 4.547 1.00 0.26 C ATOM 315 C PHE A 20 -9.404 -1.771 4.393 1.00 0.31 C ATOM 316 O PHE A 20 -8.276 -2.270 4.385 1.00 0.33 O ATOM 317 CB PHE A 20 -10.075 0.075 5.955 1.00 0.28 C ATOM 318 CG PHE A 20 -9.355 -0.649 7.057 1.00 0.30 C ATOM 319 CD1 PHE A 20 -8.107 -0.227 7.482 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.936 -1.747 7.675 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.448 -0.887 8.500 1.00 0.37 C ATOM 322 CE2 PHE A 20 -9.283 -2.410 8.694 1.00 0.38 C ATOM 323 CZ PHE A 20 -8.036 -1.979 9.107 1.00 0.38 C ATOM 0 H PHE A 20 -11.425 0.507 3.928 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.609 0.203 4.388 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.972 1.148 6.114 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -11.138 -0.156 6.019 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.644 0.628 7.012 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.910 -2.087 7.355 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.474 -0.550 8.821 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.745 -3.264 9.168 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.522 -2.496 9.904 1.00 0.38 H new ATOM 333 N LYS A 21 -10.516 -2.492 4.270 1.00 0.35 N ATOM 334 CA LYS A 21 -10.471 -3.943 4.141 1.00 0.42 C ATOM 335 C LYS A 21 -9.621 -4.362 2.954 1.00 0.44 C ATOM 336 O LYS A 21 -8.710 -5.172 3.096 1.00 0.49 O ATOM 337 CB LYS A 21 -11.879 -4.532 4.006 1.00 0.49 C ATOM 338 CG LYS A 21 -11.912 -5.856 3.249 1.00 0.64 C ATOM 339 CD LYS A 21 -13.101 -6.718 3.649 1.00 1.24 C ATOM 340 CE LYS A 21 -13.115 -7.034 5.141 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.844 -7.657 5.603 1.00 2.39 N ATOM 0 H LYS A 21 -11.456 -2.095 4.257 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.016 -4.334 5.051 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.300 -4.680 5.001 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.518 -3.813 3.493 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -11.952 -5.659 2.178 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -10.989 -6.404 3.438 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -14.025 -6.205 3.380 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -13.077 -7.649 3.083 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -13.291 -6.116 5.702 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -13.946 -7.705 5.359 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -12.034 -8.264 6.426 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.440 -8.231 4.836 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -11.169 -6.912 5.871 1.00 2.39 H new ATOM 355 N THR A 22 -9.914 -3.802 1.795 1.00 0.43 N ATOM 356 CA THR A 22 -9.201 -4.153 0.591 1.00 0.48 C ATOM 357 C THR A 22 -7.730 -3.756 0.703 1.00 0.49 C ATOM 358 O THR A 22 -6.849 -4.589 0.506 1.00 0.68 O ATOM 359 CB THR A 22 -9.858 -3.495 -0.640 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.239 -3.875 -0.701 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.173 -3.907 -1.932 1.00 0.58 C ATOM 0 H THR A 22 -10.644 -3.101 1.667 1.00 0.43 H new ATOM 0 HA THR A 22 -9.251 -5.234 0.463 1.00 0.48 H new ATOM 0 HB THR A 22 -9.761 -2.415 -0.533 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.760 -3.313 -0.091 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.665 -3.423 -2.775 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.126 -3.606 -1.901 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.236 -4.989 -2.048 1.00 0.58 H new ATOM 369 N PHE A 23 -7.476 -2.503 1.085 1.00 0.37 N ATOM 370 CA PHE A 23 -6.113 -1.961 1.120 1.00 0.38 C ATOM 371 C PHE A 23 -5.207 -2.728 2.085 1.00 0.38 C ATOM 372 O PHE A 23 -4.025 -2.927 1.807 1.00 0.43 O ATOM 373 CB PHE A 23 -6.140 -0.473 1.500 1.00 0.37 C ATOM 374 CG PHE A 23 -4.803 0.217 1.411 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.336 0.711 0.199 1.00 0.44 C ATOM 376 CD2 PHE A 23 -4.016 0.380 2.542 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.112 1.347 0.121 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.791 1.015 2.467 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.339 1.499 1.255 1.00 0.48 C ATOM 0 H PHE A 23 -8.197 -1.842 1.375 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.698 -2.076 0.119 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.845 0.043 0.849 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.517 -0.377 2.518 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.936 0.597 -0.691 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.365 0.006 3.493 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.760 1.725 -0.827 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.188 1.133 3.355 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.382 1.996 1.194 1.00 0.48 H new ATOM 389 N LEU A 24 -5.754 -3.165 3.209 1.00 0.35 N ATOM 390 CA LEU A 24 -4.932 -3.773 4.244 1.00 0.37 C ATOM 391 C LEU A 24 -5.117 -5.290 4.317 1.00 0.39 C ATOM 392 O LEU A 24 -4.173 -6.050 4.129 1.00 0.48 O ATOM 393 CB LEU A 24 -5.260 -3.144 5.599 1.00 0.40 C ATOM 394 CG LEU A 24 -4.242 -3.431 6.702 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.903 -2.814 6.349 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.721 -2.898 8.038 1.00 0.44 C ATOM 0 H LEU A 24 -6.749 -3.112 3.426 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.890 -3.585 3.987 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.343 -2.065 5.472 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.237 -3.503 5.923 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.129 -4.512 6.786 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -2.185 -3.025 7.142 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.543 -3.238 5.411 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -3.017 -1.735 6.240 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.977 -3.116 8.805 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.866 -1.820 7.969 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.665 -3.374 8.302 1.00 0.44 H new ATOM 408 N GLU A 25 -6.340 -5.727 4.573 1.00 0.40 N ATOM 409 CA GLU A 25 -6.602 -7.134 4.860 1.00 0.46 C ATOM 410 C GLU A 25 -6.641 -7.965 3.587 1.00 0.54 C ATOM 411 O GLU A 25 -6.053 -9.047 3.511 1.00 1.01 O ATOM 412 CB GLU A 25 -7.927 -7.273 5.599 1.00 0.51 C ATOM 413 CG GLU A 25 -8.044 -6.366 6.808 1.00 0.66 C ATOM 414 CD GLU A 25 -9.409 -6.443 7.440 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.548 -7.101 8.490 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.356 -5.873 6.871 1.00 1.18 O ATOM 0 H GLU A 25 -7.168 -5.131 4.589 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.788 -7.505 5.484 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.743 -7.054 4.910 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.049 -8.308 5.918 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.288 -6.642 7.543 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.839 -5.337 6.511 1.00 0.66 H new ATOM 423 N GLY A 26 -7.326 -7.439 2.590 1.00 0.37 N ATOM 424 CA GLY A 26 -7.512 -8.148 1.340 1.00 0.45 C ATOM 425 C GLY A 26 -6.358 -7.945 0.390 1.00 0.48 C ATOM 426 O GLY A 26 -6.555 -7.870 -0.809 1.00 0.83 O ATOM 0 H GLY A 26 -7.765 -6.519 2.623 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.630 -9.212 1.543 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.434 -7.810 0.866 1.00 0.45 H new ATOM 430 N PHE A 27 -5.156 -7.893 0.926 1.00 0.42 N ATOM 431 CA PHE A 27 -3.973 -7.551 0.151 1.00 0.44 C ATOM 432 C PHE A 27 -3.804 -8.451 -1.090 1.00 0.47 C ATOM 433 O PHE A 27 -3.597 -7.940 -2.190 1.00 0.53 O ATOM 434 CB PHE A 27 -2.736 -7.614 1.055 1.00 0.48 C ATOM 435 CG PHE A 27 -1.544 -6.893 0.502 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.523 -5.509 0.444 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.445 -7.597 0.044 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.427 -4.841 -0.069 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.655 -6.936 -0.466 1.00 0.74 C ATOM 440 CZ PHE A 27 0.663 -5.555 -0.525 1.00 0.71 C ATOM 0 H PHE A 27 -4.968 -8.086 1.910 1.00 0.42 H new ATOM 0 HA PHE A 27 -4.095 -6.535 -0.224 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.986 -7.190 2.027 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.472 -8.658 1.221 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.372 -4.946 0.803 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.447 -8.676 0.086 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.423 -3.762 -0.113 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.508 -7.497 -0.818 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.520 -5.036 -0.927 1.00 0.71 H new ATOM 450 N PRO A 28 -3.897 -9.796 -0.955 1.00 0.49 N ATOM 451 CA PRO A 28 -3.702 -10.711 -2.086 1.00 0.57 C ATOM 452 C PRO A 28 -4.966 -10.986 -2.915 1.00 0.59 C ATOM 453 O PRO A 28 -4.976 -11.905 -3.734 1.00 0.76 O ATOM 454 CB PRO A 28 -3.246 -11.983 -1.385 1.00 0.73 C ATOM 455 CG PRO A 28 -4.016 -11.990 -0.115 1.00 0.74 C ATOM 456 CD PRO A 28 -4.142 -10.546 0.299 1.00 0.52 C ATOM 0 HA PRO A 28 -3.008 -10.297 -2.818 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -3.459 -12.868 -1.985 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -2.172 -11.974 -1.200 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.997 -12.443 -0.256 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.503 -12.572 0.650 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -5.130 -10.332 0.707 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.416 -10.286 1.069 1.00 0.52 H new ATOM 464 N GLU A 29 -6.028 -10.205 -2.725 1.00 0.54 N ATOM 465 CA GLU A 29 -7.252 -10.423 -3.502 1.00 0.67 C ATOM 466 C GLU A 29 -7.291 -9.499 -4.712 1.00 0.69 C ATOM 467 O GLU A 29 -8.197 -9.579 -5.545 1.00 0.85 O ATOM 468 CB GLU A 29 -8.513 -10.202 -2.658 1.00 0.85 C ATOM 469 CG GLU A 29 -8.795 -8.739 -2.349 1.00 0.90 C ATOM 470 CD GLU A 29 -10.182 -8.506 -1.790 1.00 1.18 C ATOM 471 OE1 GLU A 29 -10.642 -9.324 -0.966 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.829 -7.514 -2.187 1.00 1.49 O ATOM 0 H GLU A 29 -6.070 -9.434 -2.058 1.00 0.54 H new ATOM 0 HA GLU A 29 -7.237 -11.462 -3.832 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.369 -10.625 -3.183 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -8.412 -10.749 -1.721 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -8.056 -8.376 -1.634 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.673 -8.152 -3.259 1.00 0.90 H new ATOM 479 N TRP A 30 -6.299 -8.628 -4.805 1.00 0.64 N ATOM 480 CA TRP A 30 -6.288 -7.586 -5.823 1.00 0.81 C ATOM 481 C TRP A 30 -5.890 -8.127 -7.191 1.00 0.66 C ATOM 482 O TRP A 30 -5.709 -9.329 -7.384 1.00 0.74 O ATOM 483 CB TRP A 30 -5.322 -6.468 -5.432 1.00 1.07 C ATOM 484 CG TRP A 30 -5.619 -5.816 -4.118 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.454 -6.265 -3.141 1.00 0.50 C ATOM 486 CD2 TRP A 30 -5.063 -4.594 -3.639 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.435 -5.411 -2.071 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.591 -4.370 -2.358 1.00 2.05 C ATOM 489 CE3 TRP A 30 -4.165 -3.668 -4.170 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -5.244 -3.259 -1.600 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -3.827 -2.566 -3.413 1.00 4.62 C ATOM 492 CH2 TRP A 30 -4.364 -2.370 -2.142 1.00 4.29 C ATOM 0 H TRP A 30 -5.488 -8.621 -4.186 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.304 -7.197 -5.888 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.311 -6.874 -5.400 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.335 -5.706 -6.211 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.047 -7.166 -3.201 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.961 -5.530 -1.205 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.743 -3.811 -5.154 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.657 -3.105 -0.614 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -3.133 -1.841 -3.813 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -4.077 -1.497 -1.575 1.00 4.29 H new ATOM 503 N TRP A 31 -5.774 -7.208 -8.135 1.00 0.55 N ATOM 504 CA TRP A 31 -5.335 -7.512 -9.489 1.00 0.57 C ATOM 505 C TRP A 31 -3.923 -6.972 -9.814 1.00 0.60 C ATOM 506 O TRP A 31 -3.206 -7.608 -10.581 1.00 0.74 O ATOM 507 CB TRP A 31 -6.324 -6.933 -10.503 1.00 0.74 C ATOM 508 CG TRP A 31 -7.734 -7.376 -10.288 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.817 -6.575 -10.065 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.214 -8.724 -10.263 1.00 1.24 C ATOM 511 NE1 TRP A 31 -9.943 -7.345 -9.915 1.00 1.10 N ATOM 512 CE2 TRP A 31 -9.599 -8.667 -10.030 1.00 1.54 C ATOM 513 CE3 TRP A 31 -7.606 -9.973 -10.422 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.386 -9.811 -9.948 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -8.389 -11.107 -10.340 1.00 2.53 C ATOM 516 CH2 TRP A 31 -9.766 -11.019 -10.106 1.00 2.78 C ATOM 0 H TRP A 31 -5.983 -6.221 -7.983 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.295 -8.599 -9.556 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.283 -5.845 -10.456 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.011 -7.221 -11.507 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.791 -5.496 -10.014 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -10.884 -6.991 -9.745 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -6.544 -10.049 -10.605 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.449 -9.747 -9.766 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -7.931 -12.078 -10.458 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -10.351 -11.925 -10.049 1.00 2.78 H new ATOM 527 N PRO A 32 -3.490 -5.799 -9.264 1.00 0.71 N ATOM 528 CA PRO A 32 -2.258 -5.131 -9.720 1.00 0.84 C ATOM 529 C PRO A 32 -0.962 -5.854 -9.324 1.00 0.85 C ATOM 530 O PRO A 32 -0.805 -7.055 -9.546 1.00 1.36 O ATOM 531 CB PRO A 32 -2.337 -3.757 -9.043 1.00 1.01 C ATOM 532 CG PRO A 32 -3.146 -3.979 -7.815 1.00 0.92 C ATOM 533 CD PRO A 32 -4.135 -5.041 -8.168 1.00 0.87 C ATOM 0 HA PRO A 32 -2.211 -5.101 -10.809 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.344 -3.380 -8.799 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -2.806 -3.021 -9.697 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.516 -4.292 -6.983 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.649 -3.063 -7.507 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.349 -5.683 -7.314 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.083 -4.610 -8.488 1.00 0.87 H new ATOM 541 N ASN A 33 -0.039 -5.101 -8.732 1.00 0.53 N ATOM 542 CA ASN A 33 1.310 -5.587 -8.430 1.00 0.57 C ATOM 543 C ASN A 33 1.268 -6.790 -7.503 1.00 0.67 C ATOM 544 O ASN A 33 1.895 -7.821 -7.753 1.00 0.72 O ATOM 545 CB ASN A 33 2.113 -4.453 -7.779 1.00 0.60 C ATOM 546 CG ASN A 33 3.212 -4.937 -6.848 1.00 0.82 C ATOM 547 OD1 ASN A 33 2.994 -5.075 -5.649 1.00 1.51 O ATOM 548 ND2 ASN A 33 4.404 -5.155 -7.372 1.00 0.76 N ATOM 0 H ASN A 33 -0.202 -4.135 -8.447 1.00 0.53 H new ATOM 0 HA ASN A 33 1.787 -5.900 -9.359 1.00 0.57 H new ATOM 0 HB2 ASN A 33 2.557 -3.839 -8.562 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.431 -3.812 -7.219 1.00 0.60 H new ATOM 0 HD21 ASN A 33 5.178 -5.448 -6.775 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.551 -5.031 -8.374 1.00 0.76 H new ATOM 555 N ASN A 34 0.476 -6.646 -6.464 1.00 0.85 N ATOM 556 CA ASN A 34 0.420 -7.584 -5.356 1.00 1.03 C ATOM 557 C ASN A 34 -0.496 -8.768 -5.653 1.00 1.40 C ATOM 558 O ASN A 34 -1.140 -9.309 -4.758 1.00 1.74 O ATOM 559 CB ASN A 34 -0.042 -6.838 -4.097 1.00 1.07 C ATOM 560 CG ASN A 34 -1.268 -5.963 -4.326 1.00 1.16 C ATOM 561 OD1 ASN A 34 -1.546 -5.503 -5.437 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.991 -5.691 -3.270 1.00 1.47 N ATOM 0 H ASN A 34 -0.163 -5.857 -6.360 1.00 0.85 H new ATOM 0 HA ASN A 34 1.417 -7.995 -5.198 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -0.264 -7.564 -3.315 1.00 1.07 H new ATOM 0 HB3 ASN A 34 0.775 -6.216 -3.732 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -2.807 -5.085 -3.353 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.738 -6.085 -2.364 1.00 1.47 H new ATOM 569 N PHE A 35 -0.526 -9.176 -6.912 1.00 1.51 N ATOM 570 CA PHE A 35 -1.260 -10.367 -7.319 1.00 1.98 C ATOM 571 C PHE A 35 -0.272 -11.496 -7.616 1.00 2.03 C ATOM 572 O PHE A 35 -0.645 -12.581 -8.061 1.00 2.51 O ATOM 573 CB PHE A 35 -2.129 -10.052 -8.548 1.00 2.40 C ATOM 574 CG PHE A 35 -2.962 -11.207 -9.034 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.734 -11.763 -10.283 1.00 3.19 C ATOM 576 CD2 PHE A 35 -3.966 -11.741 -8.243 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.489 -12.828 -10.734 1.00 3.91 C ATOM 578 CE2 PHE A 35 -4.726 -12.806 -8.689 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.486 -13.350 -9.937 1.00 4.45 C ATOM 0 H PHE A 35 -0.048 -8.697 -7.675 1.00 1.51 H new ATOM 0 HA PHE A 35 -1.920 -10.688 -6.513 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.790 -9.220 -8.306 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.482 -9.720 -9.360 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.955 -11.358 -10.912 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.157 -11.320 -7.267 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.299 -13.251 -11.709 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.507 -13.213 -8.063 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.078 -14.182 -10.287 1.00 4.45 H new ATOM 589 N ARG A 36 1.003 -11.238 -7.357 1.00 1.65 N ATOM 590 CA ARG A 36 2.040 -12.223 -7.619 1.00 1.75 C ATOM 591 C ARG A 36 2.427 -12.950 -6.339 1.00 1.59 C ATOM 592 O ARG A 36 2.857 -12.330 -5.364 1.00 1.48 O ATOM 593 CB ARG A 36 3.275 -11.572 -8.244 1.00 1.73 C ATOM 594 CG ARG A 36 2.993 -10.800 -9.527 1.00 1.84 C ATOM 595 CD ARG A 36 2.058 -11.561 -10.459 1.00 2.25 C ATOM 596 NE ARG A 36 2.527 -12.916 -10.746 1.00 2.72 N ATOM 597 CZ ARG A 36 1.721 -13.979 -10.792 1.00 3.34 C ATOM 598 NH1 ARG A 36 0.421 -13.843 -10.552 1.00 3.59 N ATOM 599 NH2 ARG A 36 2.211 -15.178 -11.067 1.00 4.14 N ATOM 0 H ARG A 36 1.342 -10.358 -6.967 1.00 1.65 H new ATOM 0 HA ARG A 36 1.637 -12.946 -8.328 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.722 -10.894 -7.517 1.00 1.73 H new ATOM 0 HB3 ARG A 36 4.013 -12.346 -8.454 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.551 -9.835 -9.279 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.932 -10.598 -10.042 1.00 1.84 H new ATOM 0 HD2 ARG A 36 1.066 -11.612 -10.010 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.957 -11.010 -11.394 1.00 2.25 H new ATOM 0 HE ARG A 36 3.522 -13.056 -10.920 1.00 2.72 H new ATOM 0 HH11 ARG A 36 0.036 -12.924 -10.332 1.00 3.59 H new ATOM 0 HH12 ARG A 36 -0.192 -14.657 -10.588 1.00 3.59 H new ATOM 0 HH21 ARG A 36 3.209 -15.293 -11.245 1.00 4.14 H new ATOM 0 HH22 ARG A 36 1.591 -15.987 -11.101 1.00 4.14 H new ATOM 613 N THR A 37 2.328 -14.269 -6.367 1.00 1.75 N ATOM 614 CA THR A 37 2.517 -15.081 -5.180 1.00 1.72 C ATOM 615 C THR A 37 3.991 -15.183 -4.801 1.00 1.37 C ATOM 616 O THR A 37 4.851 -15.433 -5.651 1.00 1.37 O ATOM 617 CB THR A 37 1.931 -16.490 -5.395 1.00 2.19 C ATOM 618 OG1 THR A 37 2.134 -16.892 -6.759 1.00 2.53 O ATOM 619 CG2 THR A 37 0.444 -16.519 -5.064 1.00 2.68 C ATOM 0 H THR A 37 2.115 -14.803 -7.210 1.00 1.75 H new ATOM 0 HA THR A 37 1.990 -14.594 -4.360 1.00 1.72 H new ATOM 0 HB THR A 37 2.443 -17.183 -4.727 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.763 -17.789 -6.894 1.00 2.53 H new ATOM 0 HG21 THR A 37 0.055 -17.525 -5.224 1.00 2.68 H new ATOM 0 HG22 THR A 37 0.298 -16.235 -4.022 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.086 -15.818 -5.709 1.00 2.68 H new ATOM 627 N THR A 38 4.261 -14.938 -3.515 1.00 1.24 N ATOM 628 CA THR A 38 5.613 -14.943 -2.938 1.00 1.07 C ATOM 629 C THR A 38 6.552 -14.004 -3.690 1.00 1.09 C ATOM 630 O THR A 38 7.775 -14.142 -3.637 1.00 1.38 O ATOM 631 CB THR A 38 6.225 -16.363 -2.848 1.00 1.16 C ATOM 632 OG1 THR A 38 6.144 -17.048 -4.107 1.00 1.42 O ATOM 633 CG2 THR A 38 5.523 -17.184 -1.781 1.00 1.37 C ATOM 0 H THR A 38 3.534 -14.727 -2.832 1.00 1.24 H new ATOM 0 HA THR A 38 5.501 -14.575 -1.918 1.00 1.07 H new ATOM 0 HB THR A 38 7.275 -16.247 -2.581 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.040 -16.394 -4.829 1.00 1.42 H new ATOM 0 HG21 THR A 38 5.969 -18.178 -1.735 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.631 -16.693 -0.814 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.465 -17.272 -2.027 1.00 1.37 H new ATOM 641 N LYS A 39 5.960 -13.037 -4.367 1.00 0.96 N ATOM 642 CA LYS A 39 6.709 -12.008 -5.064 1.00 1.09 C ATOM 643 C LYS A 39 6.439 -10.672 -4.391 1.00 1.22 C ATOM 644 O LYS A 39 7.358 -9.904 -4.101 1.00 1.97 O ATOM 645 CB LYS A 39 6.295 -11.979 -6.544 1.00 1.15 C ATOM 646 CG LYS A 39 7.198 -11.155 -7.457 1.00 1.49 C ATOM 647 CD LYS A 39 6.914 -9.660 -7.372 1.00 1.66 C ATOM 648 CE LYS A 39 7.736 -8.874 -8.384 1.00 2.28 C ATOM 649 NZ LYS A 39 9.193 -8.952 -8.101 1.00 2.90 N ATOM 0 H LYS A 39 4.948 -12.943 -4.449 1.00 0.96 H new ATOM 0 HA LYS A 39 7.778 -12.217 -5.020 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.266 -13.003 -6.916 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.281 -11.586 -6.613 1.00 1.15 H new ATOM 0 HG2 LYS A 39 8.239 -11.338 -7.193 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.067 -11.488 -8.487 1.00 1.49 H new ATOM 0 HD2 LYS A 39 5.853 -9.480 -7.546 1.00 1.66 H new ATOM 0 HD3 LYS A 39 7.137 -9.304 -6.366 1.00 1.66 H new ATOM 0 HE2 LYS A 39 7.540 -9.257 -9.385 1.00 2.28 H new ATOM 0 HE3 LYS A 39 7.421 -7.831 -8.375 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 9.611 -8.002 -8.169 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 9.341 -9.327 -7.142 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 9.648 -9.581 -8.793 1.00 2.90 H new ATOM 663 N VAL A 40 5.164 -10.420 -4.136 1.00 1.04 N ATOM 664 CA VAL A 40 4.729 -9.202 -3.473 1.00 1.22 C ATOM 665 C VAL A 40 3.244 -9.315 -3.084 1.00 1.42 C ATOM 666 O VAL A 40 2.639 -8.375 -2.570 1.00 1.83 O ATOM 667 CB VAL A 40 4.953 -7.980 -4.394 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.088 -8.091 -5.634 1.00 1.78 C ATOM 669 CG2 VAL A 40 4.706 -6.676 -3.650 1.00 1.40 C ATOM 0 H VAL A 40 4.404 -11.053 -4.383 1.00 1.04 H new ATOM 0 HA VAL A 40 5.319 -9.064 -2.567 1.00 1.22 H new ATOM 0 HB VAL A 40 5.996 -7.972 -4.711 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.256 -7.224 -6.273 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.347 -8.999 -6.178 1.00 1.78 H new ATOM 0 HG13 VAL A 40 3.038 -8.130 -5.343 1.00 1.78 H new ATOM 0 HG21 VAL A 40 4.872 -5.836 -4.324 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.678 -6.653 -3.287 1.00 1.40 H new ATOM 0 HG23 VAL A 40 5.391 -6.604 -2.805 1.00 1.40 H new ATOM 679 N GLY A 41 2.677 -10.499 -3.293 1.00 1.42 N ATOM 680 CA GLY A 41 1.270 -10.704 -3.036 1.00 1.82 C ATOM 681 C GLY A 41 0.927 -12.168 -2.854 1.00 1.67 C ATOM 682 O GLY A 41 0.065 -12.703 -3.547 1.00 2.17 O ATOM 0 H GLY A 41 3.173 -11.321 -3.637 1.00 1.42 H new ATOM 0 HA2 GLY A 41 0.982 -10.152 -2.142 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.689 -10.297 -3.863 1.00 1.82 H new ATOM 686 N ALA A 42 1.632 -12.831 -1.941 1.00 1.12 N ATOM 687 CA ALA A 42 1.294 -14.201 -1.563 1.00 1.00 C ATOM 688 C ALA A 42 -0.012 -14.203 -0.763 1.00 1.01 C ATOM 689 O ALA A 42 -0.532 -13.130 -0.463 1.00 1.09 O ATOM 690 CB ALA A 42 2.431 -14.808 -0.753 1.00 0.80 C ATOM 0 H ALA A 42 2.438 -12.444 -1.451 1.00 1.12 H new ATOM 0 HA ALA A 42 1.153 -14.806 -2.458 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.174 -15.830 -0.474 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.342 -14.814 -1.352 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.593 -14.216 0.147 1.00 0.80 H new ATOM 696 N PRO A 43 -0.571 -15.388 -0.412 1.00 1.05 N ATOM 697 CA PRO A 43 -1.815 -15.493 0.384 1.00 1.15 C ATOM 698 C PRO A 43 -1.695 -14.909 1.802 1.00 1.08 C ATOM 699 O PRO A 43 -1.949 -15.593 2.795 1.00 1.40 O ATOM 700 CB PRO A 43 -2.073 -17.006 0.458 1.00 1.29 C ATOM 701 CG PRO A 43 -1.284 -17.589 -0.662 1.00 1.48 C ATOM 702 CD PRO A 43 -0.069 -16.722 -0.791 1.00 1.11 C ATOM 0 HA PRO A 43 -2.619 -14.921 -0.079 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.756 -17.414 1.418 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.134 -17.231 0.351 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -1.008 -18.622 -0.451 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.861 -17.596 -1.587 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.734 -17.053 -0.133 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.327 -16.731 -1.807 1.00 1.11 H new ATOM 710 N LEU A 44 -1.315 -13.643 1.878 1.00 0.87 N ATOM 711 CA LEU A 44 -1.246 -12.908 3.127 1.00 0.85 C ATOM 712 C LEU A 44 -1.093 -11.419 2.837 1.00 0.81 C ATOM 713 O LEU A 44 -2.075 -10.677 2.822 1.00 1.24 O ATOM 714 CB LEU A 44 -0.087 -13.393 3.998 1.00 0.95 C ATOM 715 CG LEU A 44 0.133 -12.581 5.270 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.071 -12.690 6.194 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.394 -13.041 5.976 1.00 1.66 C ATOM 0 H LEU A 44 -1.043 -13.093 1.063 1.00 0.87 H new ATOM 0 HA LEU A 44 -2.171 -13.082 3.676 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.266 -14.433 4.272 1.00 0.95 H new ATOM 0 HB3 LEU A 44 0.828 -13.373 3.406 1.00 0.95 H new ATOM 0 HG LEU A 44 0.253 -11.533 4.994 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.892 -12.103 7.095 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.957 -12.311 5.684 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.228 -13.734 6.466 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.539 -12.453 6.882 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.300 -14.095 6.238 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.251 -12.906 5.315 1.00 1.66 H new ATOM 729 N GLY A 45 0.146 -10.985 2.623 1.00 0.61 N ATOM 730 CA GLY A 45 0.396 -9.631 2.189 1.00 0.75 C ATOM 731 C GLY A 45 0.565 -8.664 3.338 1.00 0.61 C ATOM 732 O GLY A 45 1.520 -7.894 3.374 1.00 0.61 O ATOM 0 H GLY A 45 0.983 -11.555 2.745 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.294 -9.613 1.571 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.430 -9.299 1.560 1.00 0.75 H new ATOM 736 N VAL A 46 -0.357 -8.713 4.279 1.00 0.54 N ATOM 737 CA VAL A 46 -0.347 -7.816 5.417 1.00 0.45 C ATOM 738 C VAL A 46 -0.691 -8.583 6.690 1.00 0.47 C ATOM 739 O VAL A 46 -1.498 -9.511 6.665 1.00 0.60 O ATOM 740 CB VAL A 46 -1.350 -6.652 5.225 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.464 -5.814 6.486 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.947 -5.776 4.048 1.00 0.49 C ATOM 0 H VAL A 46 -1.133 -9.375 4.276 1.00 0.54 H new ATOM 0 HA VAL A 46 0.655 -7.395 5.502 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.326 -7.090 5.014 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.175 -5.004 6.322 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.810 -6.440 7.309 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.489 -5.396 6.734 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.667 -4.966 3.934 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.044 -5.358 4.228 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.928 -6.376 3.138 1.00 0.49 H new ATOM 752 N ASP A 47 -0.073 -8.193 7.792 1.00 0.41 N ATOM 753 CA ASP A 47 -0.320 -8.827 9.069 1.00 0.49 C ATOM 754 C ASP A 47 -1.099 -7.884 9.960 1.00 0.52 C ATOM 755 O ASP A 47 -0.609 -6.808 10.324 1.00 0.57 O ATOM 756 CB ASP A 47 0.985 -9.223 9.748 1.00 0.58 C ATOM 757 CG ASP A 47 0.746 -9.801 11.123 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.174 -10.905 11.216 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.128 -9.154 12.117 1.00 0.95 O ATOM 0 H ASP A 47 0.608 -7.434 7.824 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.900 -9.734 8.897 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.509 -9.954 9.132 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.633 -8.350 9.828 1.00 0.58 H new ATOM 764 N LYS A 48 -2.307 -8.289 10.299 1.00 0.63 N ATOM 765 CA LYS A 48 -3.225 -7.438 11.033 1.00 0.79 C ATOM 766 C LYS A 48 -2.830 -7.298 12.503 1.00 0.85 C ATOM 767 O LYS A 48 -3.097 -6.266 13.121 1.00 1.06 O ATOM 768 CB LYS A 48 -4.647 -7.993 10.931 1.00 1.01 C ATOM 769 CG LYS A 48 -5.692 -7.015 11.422 1.00 1.38 C ATOM 770 CD LYS A 48 -5.741 -5.789 10.534 1.00 1.34 C ATOM 771 CE LYS A 48 -6.228 -4.570 11.290 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.502 -4.826 12.017 1.00 2.81 N ATOM 0 H LYS A 48 -2.679 -9.212 10.075 1.00 0.63 H new ATOM 0 HA LYS A 48 -3.181 -6.446 10.583 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.858 -8.253 9.894 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.716 -8.913 11.511 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -6.669 -7.498 11.438 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -5.466 -6.719 12.446 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -4.748 -5.593 10.128 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.400 -5.979 9.687 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.463 -4.257 12.001 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -6.370 -3.745 10.592 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -7.892 -3.926 12.362 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -8.185 -5.275 11.374 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -7.321 -5.457 12.824 1.00 2.81 H new ATOM 786 N LYS A 49 -2.193 -8.321 13.063 1.00 0.80 N ATOM 787 CA LYS A 49 -1.913 -8.333 14.495 1.00 0.97 C ATOM 788 C LYS A 49 -0.739 -7.420 14.858 1.00 1.14 C ATOM 789 O LYS A 49 -0.881 -6.534 15.701 1.00 1.32 O ATOM 790 CB LYS A 49 -1.683 -9.767 15.008 1.00 1.08 C ATOM 791 CG LYS A 49 -0.571 -10.533 14.304 1.00 1.35 C ATOM 792 CD LYS A 49 -0.376 -11.916 14.914 1.00 1.66 C ATOM 793 CE LYS A 49 0.781 -12.667 14.266 1.00 2.40 C ATOM 794 NZ LYS A 49 0.540 -12.948 12.825 1.00 3.17 N ATOM 0 H LYS A 49 -1.864 -9.143 12.556 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.796 -7.935 14.996 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.455 -9.723 16.073 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -2.612 -10.327 14.903 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.809 -10.631 13.245 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.360 -9.970 14.371 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.191 -11.818 15.984 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.293 -12.495 14.801 1.00 1.66 H new ATOM 0 HE2 LYS A 49 1.695 -12.082 14.371 1.00 2.40 H new ATOM 0 HE3 LYS A 49 0.942 -13.607 14.794 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 1.216 -13.665 12.493 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.430 -13.301 12.698 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 0.665 -12.074 12.275 1.00 3.17 H new ATOM 808 N GLY A 50 0.404 -7.611 14.212 1.00 1.22 N ATOM 809 CA GLY A 50 1.580 -6.837 14.557 1.00 1.53 C ATOM 810 C GLY A 50 1.675 -5.542 13.778 1.00 1.14 C ATOM 811 O GLY A 50 2.335 -4.594 14.209 1.00 1.29 O ATOM 0 H GLY A 50 0.537 -8.285 13.458 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.564 -6.614 15.624 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.472 -7.435 14.370 1.00 1.53 H new ATOM 815 N GLY A 51 1.007 -5.493 12.635 1.00 0.77 N ATOM 816 CA GLY A 51 1.074 -4.316 11.793 1.00 0.65 C ATOM 817 C GLY A 51 2.249 -4.381 10.844 1.00 0.56 C ATOM 818 O GLY A 51 3.158 -3.549 10.898 1.00 0.60 O ATOM 0 H GLY A 51 0.420 -6.246 12.276 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.149 -4.222 11.223 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.157 -3.426 12.416 1.00 0.65 H new ATOM 822 N ARG A 52 2.235 -5.382 9.980 1.00 0.51 N ATOM 823 CA ARG A 52 3.322 -5.604 9.033 1.00 0.53 C ATOM 824 C ARG A 52 2.771 -5.857 7.640 1.00 0.50 C ATOM 825 O ARG A 52 1.612 -6.213 7.487 1.00 0.60 O ATOM 826 CB ARG A 52 4.166 -6.811 9.460 1.00 0.68 C ATOM 827 CG ARG A 52 5.517 -6.459 10.063 1.00 1.04 C ATOM 828 CD ARG A 52 5.374 -5.707 11.374 1.00 1.42 C ATOM 829 NE ARG A 52 6.671 -5.352 11.942 1.00 2.14 N ATOM 830 CZ ARG A 52 6.928 -4.193 12.538 1.00 2.80 C ATOM 831 NH1 ARG A 52 5.984 -3.262 12.629 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.133 -3.965 13.039 1.00 3.72 N ATOM 0 H ARG A 52 1.477 -6.061 9.913 1.00 0.51 H new ATOM 0 HA ARG A 52 3.944 -4.709 9.021 1.00 0.53 H new ATOM 0 HB2 ARG A 52 3.600 -7.395 10.186 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.326 -7.451 8.592 1.00 0.68 H new ATOM 0 HG2 ARG A 52 6.089 -7.372 10.229 1.00 1.04 H new ATOM 0 HG3 ARG A 52 6.083 -5.852 9.356 1.00 1.04 H new ATOM 0 HD2 ARG A 52 4.789 -4.802 11.211 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.821 -6.320 12.086 1.00 1.42 H new ATOM 0 HE ARG A 52 7.426 -6.035 11.877 1.00 2.14 H new ATOM 0 HH11 ARG A 52 5.057 -3.436 12.240 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.186 -2.374 13.088 1.00 2.98 H new ATOM 0 HH21 ARG A 52 8.859 -4.678 12.966 1.00 3.72 H new ATOM 0 HH22 ARG A 52 8.335 -3.077 13.498 1.00 3.72 H new ATOM 846 N TRP A 53 3.598 -5.650 6.631 1.00 0.52 N ATOM 847 CA TRP A 53 3.271 -6.091 5.279 1.00 0.53 C ATOM 848 C TRP A 53 4.237 -7.192 4.876 1.00 0.57 C ATOM 849 O TRP A 53 5.392 -6.913 4.583 1.00 0.73 O ATOM 850 CB TRP A 53 3.388 -4.947 4.259 1.00 0.65 C ATOM 851 CG TRP A 53 2.329 -3.890 4.360 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.670 -3.488 5.478 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.823 -3.087 3.286 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.781 -2.489 5.170 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.855 -2.224 3.831 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.095 -3.015 1.917 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.158 -1.302 3.055 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.403 -2.099 1.148 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.445 -1.253 1.717 1.00 1.28 C ATOM 0 H TRP A 53 4.500 -5.181 6.717 1.00 0.52 H new ATOM 0 HA TRP A 53 2.240 -6.445 5.282 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.363 -4.474 4.378 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.360 -5.372 3.256 1.00 0.65 H new ATOM 0 HD1 TRP A 53 1.824 -3.896 6.466 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.164 -2.020 5.833 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.833 -3.664 1.468 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.582 -0.649 3.493 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.605 -2.035 0.089 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.078 -0.548 1.089 1.00 1.28 H new ATOM 870 N TYR A 54 3.778 -8.429 4.840 1.00 0.49 N ATOM 871 CA TYR A 54 4.644 -9.538 4.475 1.00 0.58 C ATOM 872 C TYR A 54 3.812 -10.705 3.977 1.00 0.49 C ATOM 873 O TYR A 54 2.591 -10.719 4.131 1.00 0.52 O ATOM 874 CB TYR A 54 5.534 -9.965 5.655 1.00 0.75 C ATOM 875 CG TYR A 54 4.861 -10.879 6.659 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.176 -12.233 6.702 1.00 0.73 C ATOM 877 CD2 TYR A 54 3.924 -10.396 7.563 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.572 -13.078 7.611 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.318 -11.237 8.477 1.00 0.95 C ATOM 880 CZ TYR A 54 3.646 -12.577 8.496 1.00 1.20 C ATOM 881 OH TYR A 54 3.037 -13.416 9.399 1.00 1.66 O ATOM 0 H TYR A 54 2.817 -8.692 5.057 1.00 0.49 H new ATOM 0 HA TYR A 54 5.303 -9.208 3.672 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.418 -10.468 5.262 1.00 0.75 H new ATOM 0 HB3 TYR A 54 5.880 -9.071 6.173 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.906 -12.630 6.012 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.665 -9.348 7.552 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.825 -14.128 7.627 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.591 -10.847 9.174 1.00 0.95 H new ATOM 0 HH TYR A 54 3.586 -14.218 9.522 1.00 1.66 H new ATOM 891 N GLU A 55 4.465 -11.679 3.381 1.00 0.52 N ATOM 892 CA GLU A 55 3.763 -12.787 2.774 1.00 0.56 C ATOM 893 C GLU A 55 4.316 -14.101 3.281 1.00 0.62 C ATOM 894 O GLU A 55 5.448 -14.156 3.773 1.00 0.81 O ATOM 895 CB GLU A 55 3.926 -12.712 1.264 1.00 0.73 C ATOM 896 CG GLU A 55 3.548 -11.369 0.680 1.00 0.81 C ATOM 897 CD GLU A 55 4.446 -11.000 -0.470 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.467 -11.753 -1.466 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.147 -9.968 -0.367 1.00 2.12 O ATOM 0 H GLU A 55 5.481 -11.725 3.304 1.00 0.52 H new ATOM 0 HA GLU A 55 2.707 -12.729 3.036 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.962 -12.932 1.008 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.313 -13.485 0.802 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.512 -11.396 0.341 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.611 -10.603 1.453 1.00 0.81 H new ATOM 906 N ILE A 56 3.532 -15.155 3.150 1.00 0.63 N ATOM 907 CA ILE A 56 4.006 -16.476 3.491 1.00 0.68 C ATOM 908 C ILE A 56 4.893 -16.971 2.365 1.00 0.70 C ATOM 909 O ILE A 56 4.411 -17.356 1.300 1.00 0.80 O ATOM 910 CB ILE A 56 2.848 -17.476 3.712 1.00 0.83 C ATOM 911 CG1 ILE A 56 1.811 -16.904 4.688 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.389 -18.804 4.227 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.358 -16.608 6.069 1.00 0.90 C ATOM 0 H ILE A 56 2.570 -15.119 2.812 1.00 0.63 H new ATOM 0 HA ILE A 56 4.558 -16.410 4.428 1.00 0.68 H new ATOM 0 HB ILE A 56 2.355 -17.646 2.755 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.400 -15.986 4.268 1.00 0.90 H new ATOM 0 HG13 ILE A 56 0.986 -17.610 4.780 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.563 -19.499 4.378 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.085 -19.220 3.499 1.00 0.92 H new ATOM 0 HG23 ILE A 56 3.906 -18.644 5.173 1.00 0.92 H new ATOM 0 HD11 ILE A 56 1.563 -16.207 6.697 1.00 0.90 H new ATOM 0 HD12 ILE A 56 2.743 -17.526 6.512 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.163 -15.877 5.993 1.00 0.90 H new ATOM 925 N ASP A 57 6.193 -16.905 2.592 1.00 0.65 N ATOM 926 CA ASP A 57 7.166 -17.346 1.612 1.00 0.72 C ATOM 927 C ASP A 57 7.217 -18.869 1.602 1.00 0.76 C ATOM 928 O ASP A 57 6.746 -19.506 2.542 1.00 0.96 O ATOM 929 CB ASP A 57 8.536 -16.754 1.952 1.00 0.84 C ATOM 930 CG ASP A 57 9.609 -17.134 0.957 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.761 -16.421 -0.051 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.305 -18.141 1.188 1.00 1.97 O ATOM 0 H ASP A 57 6.601 -16.546 3.456 1.00 0.65 H new ATOM 0 HA ASP A 57 6.879 -17.002 0.618 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.456 -15.668 1.994 1.00 0.84 H new ATOM 0 HB3 ASP A 57 8.834 -17.090 2.945 1.00 0.84 H new ATOM 937 N GLU A 58 7.783 -19.453 0.558 1.00 0.87 N ATOM 938 CA GLU A 58 7.858 -20.905 0.456 1.00 1.01 C ATOM 939 C GLU A 58 8.739 -21.487 1.557 1.00 1.04 C ATOM 940 O GLU A 58 8.617 -22.660 1.904 1.00 1.17 O ATOM 941 CB GLU A 58 8.374 -21.330 -0.918 1.00 1.35 C ATOM 942 CG GLU A 58 9.728 -20.747 -1.277 1.00 1.54 C ATOM 943 CD GLU A 58 10.261 -21.316 -2.572 1.00 2.04 C ATOM 944 OE1 GLU A 58 9.752 -20.934 -3.647 1.00 2.43 O ATOM 945 OE2 GLU A 58 11.181 -22.157 -2.522 1.00 2.21 O ATOM 0 H GLU A 58 8.195 -18.949 -0.227 1.00 0.87 H new ATOM 0 HA GLU A 58 6.849 -21.298 0.582 1.00 1.01 H new ATOM 0 HB2 GLU A 58 8.438 -22.418 -0.950 1.00 1.35 H new ATOM 0 HB3 GLU A 58 7.649 -21.031 -1.675 1.00 1.35 H new ATOM 0 HG2 GLU A 58 9.645 -19.664 -1.363 1.00 1.54 H new ATOM 0 HG3 GLU A 58 10.435 -20.950 -0.473 1.00 1.54 H new ATOM 952 N GLN A 59 9.619 -20.661 2.102 1.00 1.10 N ATOM 953 CA GLN A 59 10.455 -21.070 3.217 1.00 1.36 C ATOM 954 C GLN A 59 9.738 -20.837 4.552 1.00 1.39 C ATOM 955 O GLN A 59 10.132 -21.383 5.585 1.00 1.70 O ATOM 956 CB GLN A 59 11.814 -20.346 3.138 1.00 1.60 C ATOM 957 CG GLN A 59 12.307 -19.715 4.434 1.00 1.69 C ATOM 958 CD GLN A 59 11.582 -18.428 4.778 1.00 1.62 C ATOM 959 OE1 GLN A 59 11.423 -18.086 5.949 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.109 -17.722 3.761 1.00 1.40 N ATOM 0 H GLN A 59 9.772 -19.702 1.789 1.00 1.10 H new ATOM 0 HA GLN A 59 10.647 -22.141 3.156 1.00 1.36 H new ATOM 0 HB2 GLN A 59 12.564 -21.058 2.795 1.00 1.60 H new ATOM 0 HB3 GLN A 59 11.745 -19.566 2.380 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.180 -20.427 5.250 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.375 -19.513 4.350 1.00 1.69 H new ATOM 0 HE21 GLN A 59 11.263 -18.040 2.804 1.00 1.40 H new ATOM 0 HE22 GLN A 59 10.591 -16.860 3.935 1.00 1.40 H new ATOM 969 N GLY A 60 8.676 -20.045 4.526 1.00 1.19 N ATOM 970 CA GLY A 60 7.936 -19.771 5.741 1.00 1.39 C ATOM 971 C GLY A 60 7.285 -18.405 5.740 1.00 1.45 C ATOM 972 O GLY A 60 6.250 -18.201 5.119 1.00 2.29 O ATOM 0 H GLY A 60 8.314 -19.589 3.689 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.168 -20.533 5.872 1.00 1.39 H new ATOM 0 HA3 GLY A 60 8.609 -19.846 6.595 1.00 1.39 H new ATOM 976 N GLU A 61 7.906 -17.461 6.424 1.00 1.11 N ATOM 977 CA GLU A 61 7.327 -16.133 6.607 1.00 1.15 C ATOM 978 C GLU A 61 8.385 -15.042 6.483 1.00 1.26 C ATOM 979 O GLU A 61 8.235 -13.954 7.037 1.00 1.72 O ATOM 980 CB GLU A 61 6.637 -16.036 7.977 1.00 1.33 C ATOM 981 CG GLU A 61 5.358 -16.852 8.081 1.00 1.38 C ATOM 982 CD GLU A 61 4.730 -16.808 9.463 1.00 1.69 C ATOM 983 OE1 GLU A 61 4.652 -17.874 10.115 1.00 1.77 O ATOM 984 OE2 GLU A 61 4.303 -15.720 9.902 1.00 2.31 O ATOM 0 H GLU A 61 8.817 -17.586 6.866 1.00 1.11 H new ATOM 0 HA GLU A 61 6.589 -15.982 5.819 1.00 1.15 H new ATOM 0 HB2 GLU A 61 7.332 -16.369 8.748 1.00 1.33 H new ATOM 0 HB3 GLU A 61 6.408 -14.991 8.184 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.639 -16.482 7.350 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.574 -17.888 7.820 1.00 1.38 H new ATOM 991 N GLU A 62 9.434 -15.316 5.725 1.00 1.06 N ATOM 992 CA GLU A 62 10.518 -14.358 5.576 1.00 1.20 C ATOM 993 C GLU A 62 10.389 -13.635 4.242 1.00 1.00 C ATOM 994 O GLU A 62 10.970 -14.041 3.234 1.00 1.08 O ATOM 995 CB GLU A 62 11.872 -15.059 5.678 1.00 1.54 C ATOM 996 CG GLU A 62 12.998 -14.190 6.230 1.00 1.98 C ATOM 997 CD GLU A 62 13.250 -12.937 5.412 1.00 2.16 C ATOM 998 OE1 GLU A 62 12.956 -11.827 5.909 1.00 2.61 O ATOM 999 OE2 GLU A 62 13.732 -13.054 4.269 1.00 2.56 O ATOM 0 H GLU A 62 9.558 -16.186 5.207 1.00 1.06 H new ATOM 0 HA GLU A 62 10.454 -13.626 6.381 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.764 -15.938 6.314 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.158 -15.415 4.688 1.00 1.54 H new ATOM 0 HG2 GLU A 62 12.757 -13.904 7.254 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.914 -14.779 6.271 1.00 1.98 H new ATOM 1006 N HIS A 63 9.549 -12.619 4.232 1.00 0.90 N ATOM 1007 CA HIS A 63 9.407 -11.752 3.075 1.00 0.85 C ATOM 1008 C HIS A 63 9.670 -10.307 3.472 1.00 0.92 C ATOM 1009 O HIS A 63 9.688 -9.993 4.663 1.00 1.22 O ATOM 1010 CB HIS A 63 8.010 -11.899 2.471 1.00 0.96 C ATOM 1011 CG HIS A 63 8.044 -12.232 1.016 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.673 -11.356 0.019 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.434 -13.361 0.395 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.840 -11.936 -1.154 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.305 -13.156 -0.955 1.00 3.37 N ATOM 0 H HIS A 63 8.949 -12.371 5.019 1.00 0.90 H new ATOM 0 HA HIS A 63 10.138 -12.044 2.322 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.468 -12.679 3.006 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.457 -10.971 2.614 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.785 -14.264 0.873 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.632 -11.489 -2.115 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.531 -13.833 -1.684 1.00 3.37 H new ATOM 1024 N THR A 64 9.904 -9.446 2.484 1.00 0.97 N ATOM 1025 CA THR A 64 9.977 -8.004 2.715 1.00 1.01 C ATOM 1026 C THR A 64 8.804 -7.562 3.580 1.00 1.50 C ATOM 1027 O THR A 64 7.652 -7.770 3.209 1.00 2.27 O ATOM 1028 CB THR A 64 9.956 -7.245 1.375 1.00 1.03 C ATOM 1029 OG1 THR A 64 8.913 -7.771 0.538 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.293 -7.368 0.660 1.00 1.44 C ATOM 0 H THR A 64 10.047 -9.723 1.513 1.00 0.97 H new ATOM 0 HA THR A 64 10.910 -7.777 3.230 1.00 1.01 H new ATOM 0 HB THR A 64 9.769 -6.191 1.580 1.00 1.03 H new ATOM 0 HG1 THR A 64 8.098 -7.892 1.068 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.253 -6.824 -0.283 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.081 -6.950 1.287 1.00 1.44 H new ATOM 0 HG23 THR A 64 11.505 -8.419 0.464 1.00 1.44 H new ATOM 1038 N PHE A 65 9.084 -6.982 4.738 1.00 1.66 N ATOM 1039 CA PHE A 65 8.028 -6.698 5.695 1.00 2.32 C ATOM 1040 C PHE A 65 7.845 -5.201 5.918 1.00 1.96 C ATOM 1041 O PHE A 65 8.744 -4.503 6.389 1.00 2.43 O ATOM 1042 CB PHE A 65 8.262 -7.439 7.022 1.00 3.26 C ATOM 1043 CG PHE A 65 9.611 -7.220 7.650 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.729 -7.883 7.173 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.755 -6.368 8.732 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.964 -7.698 7.758 1.00 6.10 C ATOM 1047 CE2 PHE A 65 10.990 -6.177 9.321 1.00 5.77 C ATOM 1048 CZ PHE A 65 12.095 -6.844 8.832 1.00 6.48 C ATOM 0 H PHE A 65 10.019 -6.703 5.034 1.00 1.66 H new ATOM 0 HA PHE A 65 7.098 -7.071 5.265 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.494 -7.131 7.732 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.128 -8.507 6.851 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.633 -8.554 6.332 1.00 4.99 H new ATOM 0 HD2 PHE A 65 8.892 -5.847 9.120 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.828 -8.222 7.375 1.00 6.10 H new ATOM 0 HE2 PHE A 65 11.091 -5.507 10.162 1.00 5.77 H new ATOM 0 HZ PHE A 65 13.062 -6.697 9.291 1.00 6.48 H new ATOM 1058 N GLY A 66 6.662 -4.723 5.544 1.00 1.23 N ATOM 1059 CA GLY A 66 6.314 -3.330 5.726 1.00 0.93 C ATOM 1060 C GLY A 66 6.075 -3.008 7.177 1.00 0.80 C ATOM 1061 O GLY A 66 5.657 -3.872 7.948 1.00 0.96 O ATOM 0 H GLY A 66 5.930 -5.287 5.112 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.115 -2.700 5.339 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.419 -3.099 5.148 1.00 0.93 H new ATOM 1065 N LEU A 67 6.315 -1.768 7.542 1.00 0.64 N ATOM 1066 CA LEU A 67 6.285 -1.369 8.934 1.00 0.65 C ATOM 1067 C LEU A 67 5.125 -0.422 9.208 1.00 0.51 C ATOM 1068 O LEU A 67 5.246 0.789 9.045 1.00 0.54 O ATOM 1069 CB LEU A 67 7.620 -0.720 9.340 1.00 0.76 C ATOM 1070 CG LEU A 67 8.228 0.265 8.329 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.177 1.224 9.024 1.00 1.17 C ATOM 1072 CD2 LEU A 67 8.978 -0.478 7.232 1.00 1.14 C ATOM 0 H LEU A 67 6.534 -1.014 6.891 1.00 0.64 H new ATOM 0 HA LEU A 67 6.138 -2.265 9.537 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.473 -0.196 10.284 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.345 -1.513 9.525 1.00 0.76 H new ATOM 0 HG LEU A 67 7.409 0.828 7.881 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.598 1.914 8.292 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.634 1.787 9.783 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.982 0.661 9.496 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.399 0.240 6.529 1.00 1.14 H new ATOM 0 HD22 LEU A 67 9.782 -1.066 7.675 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.291 -1.141 6.706 1.00 1.14 H new ATOM 1084 N ILE A 68 3.992 -0.978 9.605 1.00 0.43 N ATOM 1085 CA ILE A 68 2.838 -0.162 9.940 1.00 0.38 C ATOM 1086 C ILE A 68 2.936 0.294 11.387 1.00 0.45 C ATOM 1087 O ILE A 68 2.919 -0.527 12.303 1.00 0.61 O ATOM 1088 CB ILE A 68 1.506 -0.917 9.774 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.455 -1.688 8.457 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.347 0.067 9.843 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.241 -2.586 8.345 1.00 0.44 C ATOM 0 H ILE A 68 3.848 -1.983 9.702 1.00 0.43 H new ATOM 0 HA ILE A 68 2.845 0.683 9.251 1.00 0.38 H new ATOM 0 HB ILE A 68 1.426 -1.640 10.586 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.455 -0.981 7.628 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.357 -2.292 8.361 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.594 -0.470 9.725 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.357 0.574 10.808 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.447 0.803 9.045 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.261 -3.107 7.388 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.252 -3.315 9.155 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.665 -1.983 8.411 1.00 0.44 H new ATOM 1103 N ARG A 69 3.039 1.591 11.594 1.00 0.43 N ATOM 1104 CA ARG A 69 3.094 2.134 12.940 1.00 0.55 C ATOM 1105 C ARG A 69 1.698 2.400 13.469 1.00 0.51 C ATOM 1106 O ARG A 69 1.437 2.256 14.662 1.00 0.67 O ATOM 1107 CB ARG A 69 3.906 3.426 12.982 1.00 0.70 C ATOM 1108 CG ARG A 69 5.401 3.210 13.127 1.00 1.19 C ATOM 1109 CD ARG A 69 6.032 2.604 11.882 1.00 0.74 C ATOM 1110 NE ARG A 69 7.478 2.501 12.039 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.313 3.505 11.788 1.00 1.35 C ATOM 1112 NH1 ARG A 69 7.861 4.615 11.223 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.605 3.393 12.071 1.00 1.83 N ATOM 0 H ARG A 69 3.086 2.289 10.851 1.00 0.43 H new ATOM 0 HA ARG A 69 3.583 1.391 13.571 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.718 3.991 12.069 1.00 0.70 H new ATOM 0 HB3 ARG A 69 3.555 4.037 13.814 1.00 0.70 H new ATOM 0 HG2 ARG A 69 5.882 4.164 13.345 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.588 2.556 13.979 1.00 1.19 H new ATOM 0 HD2 ARG A 69 5.609 1.616 11.697 1.00 0.74 H new ATOM 0 HD3 ARG A 69 5.798 3.219 11.013 1.00 0.74 H new ATOM 0 HE ARG A 69 7.869 1.614 12.357 1.00 1.08 H new ATOM 0 HH11 ARG A 69 6.874 4.699 10.981 1.00 2.00 H new ATOM 0 HH12 ARG A 69 8.500 5.386 11.030 1.00 2.00 H new ATOM 0 HH21 ARG A 69 9.964 2.532 12.484 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.239 4.168 11.875 1.00 1.83 H new ATOM 1127 N LYS A 70 0.795 2.771 12.578 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.540 3.165 12.990 1.00 0.41 C ATOM 1129 C LYS A 70 -1.605 2.428 12.191 1.00 0.35 C ATOM 1130 O LYS A 70 -1.895 2.784 11.051 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.700 4.682 12.842 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.093 5.216 13.158 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.144 6.724 12.952 1.00 0.99 C ATOM 1134 CE LYS A 70 -3.562 7.274 13.003 1.00 1.08 C ATOM 1135 NZ LYS A 70 -4.138 7.252 14.372 1.00 1.53 N ATOM 0 H LYS A 70 0.960 2.808 11.572 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.674 2.894 14.037 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.019 5.174 13.497 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.443 4.962 11.820 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.829 4.730 12.518 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.357 4.974 14.188 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.541 7.212 13.718 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.697 6.971 11.989 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -3.564 8.298 12.629 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -4.197 6.691 12.337 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -5.021 7.802 14.386 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -4.337 6.270 14.649 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.460 7.669 15.041 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.149 1.377 12.783 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.321 0.714 12.233 1.00 0.36 C ATOM 1151 C VAL A 71 -4.547 1.235 12.970 1.00 0.37 C ATOM 1152 O VAL A 71 -4.854 0.779 14.073 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.260 -0.828 12.380 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.460 -1.473 11.709 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.967 -1.396 11.809 1.00 0.77 C ATOM 0 H VAL A 71 -1.797 0.964 13.646 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.365 0.933 11.166 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.283 -1.058 13.445 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.401 -2.556 11.822 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.376 -1.109 12.174 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.465 -1.218 10.649 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.961 -2.479 11.930 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.898 -1.149 10.750 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.116 -0.967 12.338 1.00 0.77 H new ATOM 1165 N ASP A 72 -5.222 2.214 12.391 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.315 2.876 13.084 1.00 0.36 C ATOM 1167 C ASP A 72 -7.637 2.637 12.377 1.00 0.35 C ATOM 1168 O ASP A 72 -8.112 3.514 11.653 1.00 0.40 O ATOM 1169 CB ASP A 72 -6.057 4.379 13.186 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.422 4.934 14.544 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.623 5.126 14.819 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.500 5.195 15.344 1.00 1.42 O ATOM 0 H ASP A 72 -5.035 2.566 11.452 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.372 2.452 14.086 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -5.004 4.579 12.985 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.632 4.897 12.418 1.00 0.41 H new ATOM 1177 N GLU A 73 -8.196 1.433 12.575 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.511 1.032 12.042 1.00 0.39 C ATOM 1179 C GLU A 73 -9.663 1.389 10.546 1.00 0.38 C ATOM 1180 O GLU A 73 -8.680 1.718 9.879 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.637 1.656 12.898 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.787 3.163 12.763 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.922 3.713 13.595 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.687 4.067 14.770 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -13.057 3.797 13.081 1.00 0.92 O ATOM 0 H GLU A 73 -7.742 0.698 13.118 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.589 -0.053 12.105 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.582 1.186 12.626 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.452 1.417 13.945 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.856 3.645 13.062 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.954 3.415 11.716 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.870 1.242 9.955 1.00 0.33 N ATOM 1193 CA PRO A 74 -11.155 1.835 8.649 1.00 0.32 C ATOM 1194 C PRO A 74 -11.153 3.359 8.727 1.00 0.31 C ATOM 1195 O PRO A 74 -12.208 3.988 8.720 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.555 1.311 8.291 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.781 0.149 9.196 1.00 0.36 C ATOM 1198 CD PRO A 74 -12.005 0.443 10.448 1.00 0.38 C ATOM 0 HA PRO A 74 -10.406 1.570 7.903 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.313 2.080 8.440 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.607 1.011 7.244 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.842 0.025 9.414 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.440 -0.778 8.734 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.603 0.996 11.173 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.672 -0.471 10.940 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.962 3.931 8.836 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.792 5.371 8.992 1.00 0.31 C ATOM 1208 C ASP A 75 -8.407 5.807 8.524 1.00 0.30 C ATOM 1209 O ASP A 75 -8.281 6.534 7.539 1.00 0.33 O ATOM 1210 CB ASP A 75 -10.011 5.778 10.454 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.714 7.243 10.721 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.628 7.540 11.261 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.569 8.103 10.420 1.00 0.50 O ATOM 0 H ASP A 75 -9.085 3.410 8.819 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.536 5.872 8.373 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -11.044 5.567 10.732 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.377 5.164 11.094 1.00 0.34 H new ATOM 1218 N THR A 76 -7.365 5.349 9.210 1.00 0.28 N ATOM 1219 CA THR A 76 -6.004 5.756 8.875 1.00 0.29 C ATOM 1220 C THR A 76 -4.988 4.633 9.074 1.00 0.29 C ATOM 1221 O THR A 76 -5.117 3.807 9.982 1.00 0.35 O ATOM 1222 CB THR A 76 -5.571 6.979 9.705 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.101 6.892 11.034 1.00 0.34 O ATOM 1224 CG2 THR A 76 -6.028 8.269 9.043 1.00 0.35 C ATOM 0 H THR A 76 -7.435 4.701 9.995 1.00 0.28 H new ATOM 0 HA THR A 76 -6.020 6.015 7.816 1.00 0.29 H new ATOM 0 HB THR A 76 -4.482 6.986 9.759 1.00 0.32 H new ATOM 0 HG1 THR A 76 -7.032 7.197 11.035 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.711 9.120 9.646 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.586 8.344 8.049 1.00 0.35 H new ATOM 0 HG23 THR A 76 -7.115 8.269 8.958 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.976 4.609 8.209 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.900 3.629 8.302 1.00 0.31 C ATOM 1234 C LEU A 77 -1.561 4.304 8.013 1.00 0.33 C ATOM 1235 O LEU A 77 -1.343 4.810 6.915 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.094 2.467 7.312 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.510 1.901 7.193 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.338 2.729 6.225 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.462 0.457 6.737 1.00 0.69 C ATOM 0 H LEU A 77 -3.880 5.262 7.432 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.915 3.224 9.314 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.777 2.803 6.325 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.426 1.656 7.602 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.981 1.944 8.175 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.342 2.310 6.154 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.398 3.756 6.584 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.869 2.715 5.241 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.477 0.067 6.657 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.973 0.399 5.765 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.902 -0.135 7.461 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.680 4.328 8.997 1.00 0.32 N ATOM 1252 CA VAL A 78 0.665 4.863 8.803 1.00 0.36 C ATOM 1253 C VAL A 78 1.638 3.706 8.623 1.00 0.34 C ATOM 1254 O VAL A 78 1.931 2.980 9.576 1.00 0.36 O ATOM 1255 CB VAL A 78 1.108 5.756 9.983 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.498 6.333 9.750 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.105 6.877 10.206 1.00 0.67 C ATOM 0 H VAL A 78 -0.867 3.985 9.939 1.00 0.32 H new ATOM 0 HA VAL A 78 0.659 5.491 7.912 1.00 0.36 H new ATOM 0 HB VAL A 78 1.147 5.132 10.876 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.780 6.956 10.598 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.216 5.520 9.643 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.494 6.936 8.842 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.432 7.497 11.041 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.036 7.488 9.306 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.873 6.451 10.431 1.00 0.67 H new ATOM 1267 N ILE A 79 2.089 3.522 7.389 1.00 0.35 N ATOM 1268 CA ILE A 79 2.875 2.357 7.000 1.00 0.39 C ATOM 1269 C ILE A 79 4.166 2.754 6.265 1.00 0.40 C ATOM 1270 O ILE A 79 4.129 3.521 5.306 1.00 0.43 O ATOM 1271 CB ILE A 79 1.999 1.395 6.137 1.00 0.48 C ATOM 1272 CG1 ILE A 79 2.819 0.616 5.105 1.00 0.75 C ATOM 1273 CG2 ILE A 79 0.878 2.154 5.440 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.762 -0.387 5.700 1.00 0.67 C ATOM 0 H ILE A 79 1.920 4.178 6.627 1.00 0.35 H new ATOM 0 HA ILE A 79 3.184 1.834 7.905 1.00 0.39 H new ATOM 0 HB ILE A 79 1.568 0.671 6.829 1.00 0.48 H new ATOM 0 HG12 ILE A 79 2.137 0.100 4.429 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.390 1.323 4.503 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.283 1.460 4.846 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.242 2.630 6.186 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.305 2.916 4.788 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.304 -0.895 4.902 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.471 0.123 6.353 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.198 -1.119 6.278 1.00 0.67 H new ATOM 1286 N GLY A 80 5.302 2.237 6.741 1.00 0.42 N ATOM 1287 CA GLY A 80 6.581 2.482 6.087 1.00 0.46 C ATOM 1288 C GLY A 80 6.922 1.430 5.039 1.00 0.46 C ATOM 1289 O GLY A 80 6.484 0.285 5.132 1.00 0.50 O ATOM 0 H GLY A 80 5.358 1.650 7.573 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.560 3.464 5.615 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.369 2.507 6.839 1.00 0.46 H new ATOM 1293 N TRP A 81 7.744 1.808 4.071 1.00 0.50 N ATOM 1294 CA TRP A 81 8.018 0.966 2.908 1.00 0.51 C ATOM 1295 C TRP A 81 8.916 -0.227 3.264 1.00 0.53 C ATOM 1296 O TRP A 81 9.609 -0.215 4.275 1.00 0.81 O ATOM 1297 CB TRP A 81 8.649 1.830 1.818 1.00 0.74 C ATOM 1298 CG TRP A 81 8.821 1.167 0.492 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.954 1.160 -0.259 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.840 0.437 -0.247 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.756 0.466 -1.421 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.456 0.014 -1.443 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.500 0.096 -0.014 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.775 -0.728 -2.401 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.828 -0.641 -0.970 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.465 -1.044 -2.150 1.00 2.79 C ATOM 0 H TRP A 81 8.238 2.700 4.066 1.00 0.50 H new ATOM 0 HA TRP A 81 7.081 0.544 2.545 1.00 0.51 H new ATOM 0 HB2 TRP A 81 8.034 2.720 1.683 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.626 2.167 2.166 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.882 1.636 0.023 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.454 0.310 -2.148 1.00 0.88 H new ATOM 0 HE3 TRP A 81 6.003 0.403 0.894 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 8.261 -1.045 -3.312 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.795 -0.910 -0.805 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.911 -1.617 -2.879 1.00 2.79 H new ATOM 1317 N ARG A 82 8.902 -1.245 2.404 1.00 0.54 N ATOM 1318 CA ARG A 82 9.527 -2.530 2.708 1.00 0.74 C ATOM 1319 C ARG A 82 10.295 -3.056 1.500 1.00 0.81 C ATOM 1320 O ARG A 82 10.873 -4.142 1.555 1.00 1.47 O ATOM 1321 CB ARG A 82 8.444 -3.553 3.069 1.00 1.06 C ATOM 1322 CG ARG A 82 7.785 -4.169 1.837 1.00 1.64 C ATOM 1323 CD ARG A 82 6.555 -5.006 2.158 1.00 2.68 C ATOM 1324 NE ARG A 82 5.929 -5.517 0.930 1.00 3.63 N ATOM 1325 CZ ARG A 82 5.406 -6.742 0.794 1.00 4.53 C ATOM 1326 NH1 ARG A 82 5.406 -7.592 1.807 1.00 4.80 N ATOM 1327 NH2 ARG A 82 4.886 -7.121 -0.365 1.00 5.46 N ATOM 0 H ARG A 82 8.461 -1.203 1.485 1.00 0.54 H new ATOM 0 HA ARG A 82 10.214 -2.385 3.541 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.885 -4.345 3.675 1.00 1.06 H new ATOM 0 HB3 ARG A 82 7.682 -3.070 3.681 1.00 1.06 H new ATOM 0 HG2 ARG A 82 7.502 -3.372 1.150 1.00 1.64 H new ATOM 0 HG3 ARG A 82 8.514 -4.793 1.319 1.00 1.64 H new ATOM 0 HD2 ARG A 82 6.836 -5.840 2.801 1.00 2.68 H new ATOM 0 HD3 ARG A 82 5.836 -4.404 2.713 1.00 2.68 H new ATOM 0 HE ARG A 82 5.890 -4.894 0.124 1.00 3.63 H new ATOM 0 HH11 ARG A 82 5.807 -7.317 2.704 1.00 4.80 H new ATOM 0 HH12 ARG A 82 5.005 -8.523 1.692 1.00 4.80 H new ATOM 0 HH21 ARG A 82 4.883 -6.479 -1.157 1.00 5.46 H new ATOM 0 HH22 ARG A 82 4.489 -8.055 -0.465 1.00 5.46 H new ATOM 1341 N LEU A 83 10.276 -2.275 0.418 1.00 0.79 N ATOM 1342 CA LEU A 83 10.758 -2.712 -0.896 1.00 0.86 C ATOM 1343 C LEU A 83 9.761 -3.677 -1.549 1.00 0.81 C ATOM 1344 O LEU A 83 9.261 -4.610 -0.920 1.00 1.21 O ATOM 1345 CB LEU A 83 12.162 -3.336 -0.803 1.00 1.23 C ATOM 1346 CG LEU A 83 12.892 -3.549 -2.137 1.00 1.13 C ATOM 1347 CD1 LEU A 83 12.461 -4.848 -2.795 1.00 1.55 C ATOM 1348 CD2 LEU A 83 12.640 -2.374 -3.073 1.00 1.28 C ATOM 0 H LEU A 83 9.925 -1.317 0.428 1.00 0.79 H new ATOM 0 HA LEU A 83 10.838 -1.830 -1.531 1.00 0.86 H new ATOM 0 HB2 LEU A 83 12.780 -2.699 -0.171 1.00 1.23 H new ATOM 0 HB3 LEU A 83 12.078 -4.299 -0.300 1.00 1.23 H new ATOM 0 HG LEU A 83 13.960 -3.612 -1.930 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.994 -4.973 -3.738 1.00 1.55 H new ATOM 0 HD12 LEU A 83 12.691 -5.684 -2.135 1.00 1.55 H new ATOM 0 HD13 LEU A 83 11.388 -4.821 -2.986 1.00 1.55 H new ATOM 0 HD21 LEU A 83 13.164 -2.540 -4.014 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.571 -2.284 -3.264 1.00 1.28 H new ATOM 0 HD23 LEU A 83 13.005 -1.456 -2.611 1.00 1.28 H new ATOM 1360 N ASN A 84 9.464 -3.434 -2.819 1.00 0.76 N ATOM 1361 CA ASN A 84 8.505 -4.240 -3.558 1.00 1.00 C ATOM 1362 C ASN A 84 9.226 -5.268 -4.413 1.00 1.25 C ATOM 1363 O ASN A 84 10.064 -4.913 -5.240 1.00 1.93 O ATOM 1364 CB ASN A 84 7.641 -3.330 -4.449 1.00 1.26 C ATOM 1365 CG ASN A 84 6.512 -4.047 -5.164 1.00 1.08 C ATOM 1366 OD1 ASN A 84 6.655 -5.172 -5.637 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.368 -3.389 -5.238 1.00 0.94 N ATOM 0 H ASN A 84 9.879 -2.677 -3.362 1.00 0.76 H new ATOM 0 HA ASN A 84 7.864 -4.764 -2.849 1.00 1.00 H new ATOM 0 HB2 ASN A 84 7.219 -2.534 -3.835 1.00 1.26 H new ATOM 0 HB3 ASN A 84 8.281 -2.854 -5.192 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.564 -3.814 -5.700 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.289 -2.456 -4.833 1.00 0.94 H new ATOM 1374 N GLY A 85 8.928 -6.537 -4.185 1.00 1.69 N ATOM 1375 CA GLY A 85 9.390 -7.572 -5.086 1.00 2.21 C ATOM 1376 C GLY A 85 10.634 -8.300 -4.615 1.00 1.96 C ATOM 1377 O GLY A 85 11.024 -9.292 -5.228 1.00 2.40 O ATOM 0 H GLY A 85 8.376 -6.869 -3.394 1.00 1.69 H new ATOM 0 HA2 GLY A 85 8.590 -8.298 -5.227 1.00 2.21 H new ATOM 0 HA3 GLY A 85 9.591 -7.126 -6.060 1.00 2.21 H new ATOM 1381 N PHE A 86 11.262 -7.795 -3.551 1.00 1.79 N ATOM 1382 CA PHE A 86 12.480 -8.391 -2.974 1.00 2.29 C ATOM 1383 C PHE A 86 13.705 -8.196 -3.876 1.00 2.14 C ATOM 1384 O PHE A 86 14.788 -7.867 -3.397 1.00 2.77 O ATOM 1385 CB PHE A 86 12.275 -9.883 -2.666 1.00 3.16 C ATOM 1386 CG PHE A 86 13.506 -10.567 -2.134 1.00 3.79 C ATOM 1387 CD1 PHE A 86 13.917 -10.363 -0.826 1.00 4.45 C ATOM 1388 CD2 PHE A 86 14.251 -11.413 -2.944 1.00 4.03 C ATOM 1389 CE1 PHE A 86 15.050 -10.989 -0.337 1.00 5.26 C ATOM 1390 CE2 PHE A 86 15.381 -12.042 -2.458 1.00 4.80 C ATOM 1391 CZ PHE A 86 15.780 -11.830 -1.154 1.00 5.38 C ATOM 0 H PHE A 86 10.943 -6.959 -3.060 1.00 1.79 H new ATOM 0 HA PHE A 86 12.673 -7.864 -2.039 1.00 2.29 H new ATOM 0 HB2 PHE A 86 11.470 -9.987 -1.939 1.00 3.16 H new ATOM 0 HB3 PHE A 86 11.952 -10.391 -3.575 1.00 3.16 H new ATOM 0 HD1 PHE A 86 13.347 -9.709 -0.182 1.00 4.45 H new ATOM 0 HD2 PHE A 86 13.944 -11.581 -3.966 1.00 4.03 H new ATOM 0 HE1 PHE A 86 15.363 -10.820 0.683 1.00 5.26 H new ATOM 0 HE2 PHE A 86 15.951 -12.699 -3.098 1.00 4.80 H new ATOM 0 HZ PHE A 86 16.663 -12.322 -0.772 1.00 5.38 H new ATOM 1401 N GLY A 87 13.530 -8.392 -5.177 1.00 1.90 N ATOM 1402 CA GLY A 87 14.635 -8.269 -6.113 1.00 2.08 C ATOM 1403 C GLY A 87 14.967 -6.826 -6.450 1.00 1.87 C ATOM 1404 O GLY A 87 15.774 -6.559 -7.340 1.00 2.30 O ATOM 0 H GLY A 87 12.637 -8.636 -5.604 1.00 1.90 H new ATOM 0 HA2 GLY A 87 15.517 -8.750 -5.691 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.388 -8.803 -7.030 1.00 2.08 H new ATOM 1408 N ARG A 88 14.331 -5.896 -5.756 1.00 1.33 N ATOM 1409 CA ARG A 88 14.595 -4.478 -5.943 1.00 1.18 C ATOM 1410 C ARG A 88 15.352 -3.950 -4.728 1.00 1.09 C ATOM 1411 O ARG A 88 15.601 -4.695 -3.781 1.00 1.21 O ATOM 1412 CB ARG A 88 13.284 -3.706 -6.123 1.00 0.98 C ATOM 1413 CG ARG A 88 12.367 -4.247 -7.214 1.00 1.64 C ATOM 1414 CD ARG A 88 12.954 -4.090 -8.608 1.00 2.32 C ATOM 1415 NE ARG A 88 13.999 -5.069 -8.898 1.00 3.00 N ATOM 1416 CZ ARG A 88 14.274 -5.522 -10.120 1.00 3.96 C ATOM 1417 NH1 ARG A 88 13.573 -5.096 -11.167 1.00 4.44 N ATOM 1418 NH2 ARG A 88 15.248 -6.405 -10.290 1.00 4.77 N ATOM 0 H ARG A 88 13.622 -6.100 -5.052 1.00 1.33 H new ATOM 0 HA ARG A 88 15.197 -4.339 -6.841 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.743 -3.712 -5.177 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.519 -2.666 -6.349 1.00 0.98 H new ATOM 0 HG2 ARG A 88 12.168 -5.302 -7.025 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.409 -3.729 -7.167 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.157 -4.187 -9.345 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.365 -3.086 -8.713 1.00 2.32 H new ATOM 0 HE ARG A 88 14.551 -5.427 -8.118 1.00 3.00 H new ATOM 0 HH11 ARG A 88 12.821 -4.419 -11.036 1.00 4.44 H new ATOM 0 HH12 ARG A 88 13.787 -5.446 -12.101 1.00 4.44 H new ATOM 0 HH21 ARG A 88 15.783 -6.735 -9.487 1.00 4.77 H new ATOM 0 HH22 ARG A 88 15.462 -6.755 -11.224 1.00 4.77 H new ATOM 1432 N ILE A 89 15.708 -2.673 -4.744 1.00 1.08 N ATOM 1433 CA ILE A 89 16.441 -2.082 -3.630 1.00 1.08 C ATOM 1434 C ILE A 89 15.605 -1.012 -2.914 1.00 1.04 C ATOM 1435 O ILE A 89 15.039 -0.119 -3.549 1.00 1.15 O ATOM 1436 CB ILE A 89 17.805 -1.501 -4.106 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.620 -0.900 -2.937 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.603 -0.471 -5.213 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.175 0.480 -2.484 1.00 1.70 C ATOM 0 H ILE A 89 15.504 -2.030 -5.509 1.00 1.08 H new ATOM 0 HA ILE A 89 16.645 -2.875 -2.911 1.00 1.08 H new ATOM 0 HB ILE A 89 18.384 -2.332 -4.510 1.00 1.29 H new ATOM 0 HG12 ILE A 89 18.563 -1.580 -2.087 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.668 -0.848 -3.234 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.571 -0.081 -5.528 1.00 1.11 H new ATOM 0 HG22 ILE A 89 17.108 -0.942 -6.062 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.986 0.347 -4.841 1.00 1.11 H new ATOM 0 HD11 ILE A 89 18.807 0.814 -1.661 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.260 1.181 -3.315 1.00 1.70 H new ATOM 0 HD13 ILE A 89 17.138 0.437 -2.150 1.00 1.70 H new ATOM 1451 N ASP A 90 15.508 -1.141 -1.592 1.00 1.05 N ATOM 1452 CA ASP A 90 14.972 -0.084 -0.733 1.00 1.15 C ATOM 1453 C ASP A 90 15.733 -0.079 0.588 1.00 1.01 C ATOM 1454 O ASP A 90 16.127 -1.141 1.079 1.00 1.14 O ATOM 1455 CB ASP A 90 13.475 -0.259 -0.463 1.00 1.54 C ATOM 1456 CG ASP A 90 12.943 0.809 0.474 1.00 2.36 C ATOM 1457 OD1 ASP A 90 12.723 0.506 1.662 1.00 2.64 O ATOM 1458 OD2 ASP A 90 12.771 1.963 0.030 1.00 3.18 O ATOM 0 H ASP A 90 15.798 -1.978 -1.086 1.00 1.05 H new ATOM 0 HA ASP A 90 15.100 0.866 -1.253 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.929 -0.221 -1.405 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.296 -1.244 -0.031 1.00 1.54 H new ATOM 1463 N PRO A 91 15.996 1.106 1.159 1.00 1.32 N ATOM 1464 CA PRO A 91 16.681 1.235 2.447 1.00 1.52 C ATOM 1465 C PRO A 91 15.975 0.515 3.600 1.00 1.24 C ATOM 1466 O PRO A 91 16.633 0.143 4.572 1.00 1.58 O ATOM 1467 CB PRO A 91 16.701 2.746 2.707 1.00 2.16 C ATOM 1468 CG PRO A 91 15.680 3.313 1.785 1.00 2.36 C ATOM 1469 CD PRO A 91 15.684 2.421 0.581 1.00 1.92 C ATOM 0 HA PRO A 91 17.668 0.774 2.401 1.00 1.52 H new ATOM 0 HB2 PRO A 91 16.461 2.970 3.746 1.00 2.16 H new ATOM 0 HB3 PRO A 91 17.687 3.167 2.510 1.00 2.16 H new ATOM 0 HG2 PRO A 91 14.696 3.333 2.254 1.00 2.36 H new ATOM 0 HG3 PRO A 91 15.925 4.340 1.513 1.00 2.36 H new ATOM 0 HD2 PRO A 91 14.720 2.422 0.072 1.00 1.92 H new ATOM 0 HD3 PRO A 91 16.431 2.730 -0.150 1.00 1.92 H new ATOM 1477 N ASP A 92 14.643 0.349 3.516 1.00 1.06 N ATOM 1478 CA ASP A 92 13.870 -0.318 4.580 1.00 1.34 C ATOM 1479 C ASP A 92 13.864 0.528 5.865 1.00 1.18 C ATOM 1480 O ASP A 92 13.216 0.198 6.857 1.00 1.61 O ATOM 1481 CB ASP A 92 14.455 -1.729 4.820 1.00 1.93 C ATOM 1482 CG ASP A 92 13.966 -2.416 6.085 1.00 2.60 C ATOM 1483 OD1 ASP A 92 12.993 -3.199 6.008 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.581 -2.213 7.158 1.00 2.99 O ATOM 0 H ASP A 92 14.081 0.666 2.726 1.00 1.06 H new ATOM 0 HA ASP A 92 12.830 -0.422 4.269 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.211 -2.358 3.964 1.00 1.93 H new ATOM 0 HB3 ASP A 92 15.542 -1.654 4.861 1.00 1.93 H new ATOM 1489 N ASN A 93 14.546 1.666 5.808 1.00 1.06 N ATOM 1490 CA ASN A 93 14.792 2.489 6.987 1.00 1.26 C ATOM 1491 C ASN A 93 13.550 3.259 7.421 1.00 1.04 C ATOM 1492 O ASN A 93 13.290 3.413 8.615 1.00 1.49 O ATOM 1493 CB ASN A 93 15.931 3.468 6.709 1.00 1.65 C ATOM 1494 CG ASN A 93 17.051 3.362 7.724 1.00 2.22 C ATOM 1495 OD1 ASN A 93 17.711 4.350 8.042 1.00 3.06 O ATOM 1496 ND2 ASN A 93 17.281 2.161 8.232 1.00 2.21 N ATOM 0 H ASN A 93 14.943 2.043 4.947 1.00 1.06 H new ATOM 0 HA ASN A 93 15.066 1.818 7.801 1.00 1.26 H new ATOM 0 HB2 ASN A 93 16.330 3.282 5.712 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.539 4.485 6.710 1.00 1.65 H new ATOM 0 HD21 ASN A 93 18.029 2.030 8.913 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.711 1.367 7.942 1.00 2.21 H new ATOM 1503 N SER A 94 12.788 3.751 6.459 1.00 0.68 N ATOM 1504 CA SER A 94 11.604 4.540 6.762 1.00 0.77 C ATOM 1505 C SER A 94 10.609 4.491 5.613 1.00 0.72 C ATOM 1506 O SER A 94 9.795 3.573 5.533 1.00 1.22 O ATOM 1507 CB SER A 94 11.990 5.991 7.077 1.00 1.19 C ATOM 1508 OG SER A 94 12.638 6.083 8.336 1.00 1.85 O ATOM 0 H SER A 94 12.967 3.619 5.463 1.00 0.68 H new ATOM 0 HA SER A 94 11.127 4.109 7.642 1.00 0.77 H new ATOM 0 HB2 SER A 94 12.648 6.374 6.297 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.098 6.617 7.077 1.00 1.19 H new ATOM 0 HG SER A 94 12.821 5.182 8.677 1.00 1.85 H new ATOM 1514 N SER A 95 10.699 5.478 4.721 1.00 0.60 N ATOM 1515 CA SER A 95 9.799 5.578 3.578 1.00 0.67 C ATOM 1516 C SER A 95 8.335 5.469 4.028 1.00 0.70 C ATOM 1517 O SER A 95 7.509 4.857 3.359 1.00 1.27 O ATOM 1518 CB SER A 95 10.147 4.484 2.572 1.00 0.93 C ATOM 1519 OG SER A 95 11.553 4.388 2.400 1.00 1.44 O ATOM 0 H SER A 95 11.393 6.224 4.772 1.00 0.60 H new ATOM 0 HA SER A 95 9.922 6.551 3.103 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.752 3.528 2.916 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.673 4.699 1.615 1.00 0.93 H new ATOM 0 HG SER A 95 11.833 4.973 1.665 1.00 1.44 H new ATOM 1525 N GLU A 96 8.040 6.098 5.159 1.00 0.48 N ATOM 1526 CA GLU A 96 6.718 6.047 5.778 1.00 0.45 C ATOM 1527 C GLU A 96 5.676 6.795 4.968 1.00 0.45 C ATOM 1528 O GLU A 96 5.964 7.838 4.376 1.00 0.60 O ATOM 1529 CB GLU A 96 6.783 6.661 7.168 1.00 0.56 C ATOM 1530 CG GLU A 96 6.920 5.650 8.279 1.00 1.11 C ATOM 1531 CD GLU A 96 5.581 5.145 8.756 1.00 1.30 C ATOM 1532 OE1 GLU A 96 4.647 5.088 7.939 1.00 1.81 O ATOM 1533 OE2 GLU A 96 5.463 4.831 9.961 1.00 1.33 O ATOM 0 H GLU A 96 8.714 6.662 5.677 1.00 0.48 H new ATOM 0 HA GLU A 96 6.424 4.998 5.827 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.627 7.349 7.211 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.882 7.251 7.336 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.521 4.810 7.932 1.00 1.11 H new ATOM 0 HG3 GLU A 96 7.455 6.101 9.115 1.00 1.11 H new ATOM 1540 N PHE A 97 4.464 6.271 4.964 1.00 0.39 N ATOM 1541 CA PHE A 97 3.350 6.944 4.302 1.00 0.40 C ATOM 1542 C PHE A 97 2.069 6.840 5.112 1.00 0.41 C ATOM 1543 O PHE A 97 1.655 5.758 5.526 1.00 0.53 O ATOM 1544 CB PHE A 97 3.129 6.453 2.858 1.00 0.51 C ATOM 1545 CG PHE A 97 3.293 4.975 2.632 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.548 4.441 2.384 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.198 4.122 2.636 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.713 3.093 2.147 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.358 2.769 2.402 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.617 2.254 2.156 1.00 0.63 C ATOM 0 H PHE A 97 4.222 5.385 5.408 1.00 0.39 H new ATOM 0 HA PHE A 97 3.628 7.996 4.240 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.124 6.739 2.548 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.825 6.980 2.206 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.410 5.091 2.376 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.211 4.519 2.824 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.698 2.694 1.955 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.499 2.114 2.411 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.743 1.197 1.971 1.00 0.63 H new ATOM 1560 N THR A 98 1.457 7.991 5.343 1.00 0.35 N ATOM 1561 CA THR A 98 0.232 8.068 6.112 1.00 0.36 C ATOM 1562 C THR A 98 -0.984 8.013 5.198 1.00 0.33 C ATOM 1563 O THR A 98 -1.231 8.935 4.416 1.00 0.36 O ATOM 1564 CB THR A 98 0.193 9.362 6.942 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.367 9.438 7.764 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.055 9.411 7.817 1.00 0.40 C ATOM 0 H THR A 98 1.796 8.891 5.004 1.00 0.35 H new ATOM 0 HA THR A 98 0.207 7.211 6.786 1.00 0.36 H new ATOM 0 HB THR A 98 0.165 10.212 6.260 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.344 10.263 8.292 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.059 10.336 8.394 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.943 9.373 7.186 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.056 8.559 8.497 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.728 6.924 5.296 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.935 6.744 4.515 1.00 0.35 C ATOM 1576 C VAL A 99 -4.129 7.305 5.272 1.00 0.31 C ATOM 1577 O VAL A 99 -4.532 6.762 6.299 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.179 5.248 4.198 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.472 5.057 3.420 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.007 4.667 3.421 1.00 0.87 C ATOM 0 H VAL A 99 -1.512 6.144 5.917 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.811 7.279 3.574 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.269 4.717 5.145 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.618 3.997 3.211 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.310 5.429 4.010 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.416 5.607 2.481 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.197 3.615 3.208 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.886 5.211 2.484 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.097 4.758 4.014 1.00 0.87 H new ATOM 1590 N THR A 100 -4.672 8.405 4.777 1.00 0.31 N ATOM 1591 CA THR A 100 -5.821 9.030 5.402 1.00 0.30 C ATOM 1592 C THR A 100 -7.083 8.766 4.588 1.00 0.26 C ATOM 1593 O THR A 100 -7.263 9.335 3.512 1.00 0.28 O ATOM 1594 CB THR A 100 -5.615 10.551 5.535 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.345 10.818 6.146 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.726 11.180 6.362 1.00 0.36 C ATOM 0 H THR A 100 -4.333 8.883 3.942 1.00 0.31 H new ATOM 0 HA THR A 100 -5.933 8.597 6.396 1.00 0.30 H new ATOM 0 HB THR A 100 -5.639 10.989 4.537 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.218 11.786 6.227 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.557 12.254 6.441 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.686 10.998 5.880 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.732 10.739 7.359 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.942 7.893 5.090 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.204 7.607 4.427 1.00 0.24 C ATOM 1606 C PHE A 101 -10.282 8.573 4.903 1.00 0.25 C ATOM 1607 O PHE A 101 -10.752 8.482 6.038 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.656 6.166 4.692 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.931 5.120 3.891 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.937 5.161 2.507 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.267 4.082 4.522 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.290 4.191 1.767 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.617 3.109 3.786 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.628 3.164 2.407 1.00 0.29 C ATOM 0 H PHE A 101 -7.789 7.371 5.953 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.051 7.731 3.355 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.524 5.948 5.752 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.723 6.090 4.481 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.454 5.962 2.000 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.257 4.032 5.601 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.302 4.236 0.688 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -7.100 2.306 4.290 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.120 2.405 1.831 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.660 9.500 4.041 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.694 10.467 4.368 1.00 0.31 C ATOM 1626 C VAL A 102 -13.060 9.945 3.941 1.00 0.30 C ATOM 1627 O VAL A 102 -13.336 9.808 2.748 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.435 11.831 3.690 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.510 12.839 4.070 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.055 12.355 4.052 1.00 0.54 C ATOM 0 H VAL A 102 -10.265 9.604 3.106 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.674 10.610 5.448 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.475 11.686 2.610 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.305 13.791 3.580 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.485 12.469 3.751 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.511 12.980 5.151 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.892 13.316 3.565 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.985 12.479 5.133 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.297 11.646 3.718 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.896 9.631 4.921 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.246 9.157 4.654 1.00 0.35 C ATOM 1642 C ALA A 103 -16.066 10.243 3.976 1.00 0.39 C ATOM 1643 O ALA A 103 -16.034 11.407 4.383 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.912 8.711 5.946 1.00 0.44 C ATOM 0 H ALA A 103 -13.661 9.696 5.911 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.189 8.301 3.981 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.921 8.359 5.732 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.333 7.903 6.394 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.960 9.551 6.639 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.776 9.867 2.928 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.573 10.818 2.176 1.00 0.57 C ATOM 1652 C ASP A 104 -18.983 10.289 1.973 1.00 0.64 C ATOM 1653 O ASP A 104 -19.181 9.231 1.369 1.00 0.73 O ATOM 1654 CB ASP A 104 -16.927 11.098 0.819 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.431 12.375 0.187 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.764 13.420 0.348 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -18.480 12.342 -0.484 1.00 2.03 O ATOM 0 H ASP A 104 -16.817 8.910 2.578 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.623 11.746 2.745 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -15.846 11.160 0.942 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.124 10.262 0.148 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.954 11.016 2.494 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.341 10.639 2.327 1.00 0.83 C ATOM 1664 C GLY A 105 -21.691 9.372 3.073 1.00 1.06 C ATOM 1665 O GLY A 105 -21.922 9.393 4.281 1.00 1.97 O ATOM 0 H GLY A 105 -19.806 11.868 3.035 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.979 11.451 2.677 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.552 10.502 1.266 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.707 8.267 2.346 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.118 6.983 2.896 1.00 2.07 C ATOM 1671 C GLN A 106 -21.543 5.841 2.060 1.00 1.73 C ATOM 1672 O GLN A 106 -21.440 4.704 2.523 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.648 6.918 2.919 1.00 2.98 C ATOM 1674 CG GLN A 106 -24.227 5.677 3.574 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.743 5.685 3.569 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -26.370 6.254 2.670 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -26.342 5.057 4.567 1.00 4.93 N ATOM 0 H GLN A 106 -21.437 8.233 1.363 1.00 1.24 H new ATOM 0 HA GLN A 106 -21.738 6.880 3.912 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -24.026 7.797 3.442 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -24.015 6.974 1.894 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.868 4.790 3.051 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.868 5.609 4.601 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.785 4.600 5.289 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -27.361 5.030 4.614 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.172 6.153 0.822 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.637 5.152 -0.093 1.00 0.48 C ATOM 1688 C LYS A 107 -19.316 5.598 -0.697 1.00 0.38 C ATOM 1689 O LYS A 107 -18.776 4.938 -1.581 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.631 4.885 -1.220 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.903 4.204 -0.764 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.610 2.827 -0.186 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.850 1.952 -0.171 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.333 1.652 -1.547 1.00 3.53 N ATOM 0 H LYS A 107 -21.232 7.093 0.430 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.469 4.241 0.482 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.887 5.831 -1.697 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.150 4.266 -1.977 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.399 4.819 -0.013 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.591 4.110 -1.605 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -21.830 2.343 -0.774 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -22.226 2.932 0.829 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -23.630 1.019 0.348 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.640 2.451 0.391 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -24.902 0.781 -1.533 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -24.917 2.442 -1.890 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -23.518 1.523 -2.180 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.784 6.706 -0.222 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.577 7.254 -0.807 1.00 0.29 C ATOM 1710 C LYS A 108 -16.492 7.389 0.246 1.00 0.27 C ATOM 1711 O LYS A 108 -16.778 7.544 1.434 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.868 8.620 -1.431 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.742 9.174 -2.296 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.063 10.581 -2.779 1.00 1.09 C ATOM 1715 CE LYS A 108 -15.908 11.184 -3.559 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.176 12.591 -3.954 1.00 2.44 N ATOM 0 H LYS A 108 -19.164 7.240 0.560 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.229 6.573 -1.584 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.770 8.543 -2.037 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.080 9.332 -0.633 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.813 9.185 -1.726 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.582 8.520 -3.153 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.953 10.556 -3.408 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.295 11.215 -1.924 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -15.002 11.144 -2.954 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.722 10.586 -4.451 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -15.363 12.964 -4.484 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -17.026 12.628 -4.553 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -16.328 13.168 -3.102 1.00 2.44 H new ATOM 1730 N THR A 109 -15.255 7.298 -0.191 1.00 0.26 N ATOM 1731 CA THR A 109 -14.117 7.538 0.666 1.00 0.25 C ATOM 1732 C THR A 109 -12.933 7.996 -0.163 1.00 0.26 C ATOM 1733 O THR A 109 -12.471 7.289 -1.056 1.00 0.35 O ATOM 1734 CB THR A 109 -13.744 6.290 1.484 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.810 5.988 2.385 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.460 6.504 2.271 1.00 0.42 C ATOM 0 H THR A 109 -15.011 7.055 -1.151 1.00 0.26 H new ATOM 0 HA THR A 109 -14.391 8.322 1.372 1.00 0.25 H new ATOM 0 HB THR A 109 -13.582 5.462 0.794 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.484 6.698 2.344 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.226 5.603 2.837 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.643 6.722 1.583 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.589 7.341 2.958 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.477 9.194 0.116 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.344 9.758 -0.583 1.00 0.27 C ATOM 1746 C ARG A 110 -10.102 9.625 0.278 1.00 0.26 C ATOM 1747 O ARG A 110 -10.034 10.193 1.364 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.614 11.226 -0.903 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.518 11.896 -1.705 1.00 0.68 C ATOM 1750 CD ARG A 110 -10.440 11.331 -3.112 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.480 12.058 -3.930 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.820 12.936 -4.868 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -11.101 13.173 -5.128 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -8.877 13.573 -5.544 1.00 2.59 N ATOM 0 H ARG A 110 -12.877 9.803 0.829 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.186 9.220 -1.518 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.551 11.300 -1.456 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.751 11.771 0.031 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.703 12.969 -1.752 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.561 11.759 -1.202 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -10.157 10.279 -3.067 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -11.424 11.377 -3.578 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.487 11.883 -3.774 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -11.827 12.681 -4.607 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -11.359 13.847 -5.848 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.894 13.389 -5.344 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -9.134 14.248 -6.265 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.135 8.856 -0.185 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.918 8.673 0.579 1.00 0.27 C ATOM 1770 C VAL A 111 -6.874 9.700 0.177 1.00 0.29 C ATOM 1771 O VAL A 111 -6.681 9.982 -1.012 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.329 7.264 0.409 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.881 7.049 -1.015 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.169 7.047 1.363 1.00 0.33 C ATOM 0 H VAL A 111 -9.167 8.355 -1.073 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.186 8.806 1.627 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.108 6.539 0.644 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.466 6.046 -1.119 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.733 7.160 -1.685 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.119 7.785 -1.272 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.768 6.043 1.225 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.389 7.781 1.160 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.516 7.161 2.390 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.209 10.243 1.176 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.166 11.223 0.979 1.00 0.37 C ATOM 1786 C ASP A 112 -3.911 10.769 1.716 1.00 0.37 C ATOM 1787 O ASP A 112 -3.875 10.731 2.947 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.647 12.578 1.497 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.691 13.708 1.190 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.873 14.061 2.064 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.773 14.268 0.077 1.00 1.38 O ATOM 0 H ASP A 112 -6.380 10.013 2.155 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.930 11.322 -0.081 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.619 12.803 1.057 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.792 12.516 2.576 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.910 10.367 0.956 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.670 9.854 1.517 1.00 0.41 C ATOM 1798 C VAL A 113 -0.575 10.901 1.479 1.00 0.43 C ATOM 1799 O VAL A 113 -0.256 11.433 0.416 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.196 8.591 0.758 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.306 8.352 0.913 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.970 7.383 1.241 1.00 0.77 C ATOM 0 H VAL A 113 -2.931 10.386 -0.064 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.873 9.592 2.555 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.388 8.752 -0.303 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.590 7.455 0.363 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.853 9.208 0.519 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.547 8.222 1.968 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.633 6.496 0.704 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.801 7.246 2.309 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.034 7.535 1.058 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.007 11.184 2.640 1.00 0.47 N ATOM 1813 CA GLU A 114 1.148 12.053 2.724 1.00 0.55 C ATOM 1814 C GLU A 114 2.399 11.214 2.925 1.00 0.60 C ATOM 1815 O GLU A 114 2.560 10.531 3.941 1.00 0.62 O ATOM 1816 CB GLU A 114 0.993 13.079 3.846 1.00 0.67 C ATOM 1817 CG GLU A 114 -0.205 13.992 3.648 1.00 1.31 C ATOM 1818 CD GLU A 114 -0.106 15.283 4.434 1.00 1.75 C ATOM 1819 OE1 GLU A 114 -0.110 15.230 5.683 1.00 2.31 O ATOM 1820 OE2 GLU A 114 -0.037 16.363 3.804 1.00 2.05 O ATOM 0 H GLU A 114 -0.330 10.822 3.537 1.00 0.47 H new ATOM 0 HA GLU A 114 1.236 12.609 1.790 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.893 12.557 4.798 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.898 13.683 3.907 1.00 0.67 H new ATOM 0 HG2 GLU A 114 -0.304 14.226 2.588 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -1.111 13.462 3.944 1.00 1.31 H new ATOM 1827 N HIS A 115 3.257 11.236 1.923 1.00 0.70 N ATOM 1828 CA HIS A 115 4.464 10.433 1.907 1.00 0.80 C ATOM 1829 C HIS A 115 5.633 11.296 1.463 1.00 0.89 C ATOM 1830 O HIS A 115 5.808 11.556 0.281 1.00 1.17 O ATOM 1831 CB HIS A 115 4.247 9.256 0.947 1.00 0.92 C ATOM 1832 CG HIS A 115 5.419 8.343 0.743 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.068 7.692 1.761 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.032 7.957 -0.392 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.030 6.947 1.257 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.033 7.088 -0.052 1.00 1.47 N ATOM 0 H HIS A 115 3.135 11.815 1.092 1.00 0.70 H new ATOM 0 HA HIS A 115 4.688 10.044 2.900 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.411 8.662 1.316 1.00 0.92 H new ATOM 0 HB3 HIS A 115 3.951 9.655 -0.023 1.00 0.92 H new ATOM 0 HD1 HIS A 115 5.841 7.772 2.752 1.00 1.59 H new ATOM 0 HD2 HIS A 115 5.779 8.276 -1.392 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.705 6.323 1.824 1.00 1.64 H new ATOM 1845 N THR A 116 6.409 11.779 2.408 1.00 0.90 N ATOM 1846 CA THR A 116 7.547 12.611 2.071 1.00 1.08 C ATOM 1847 C THR A 116 8.631 12.510 3.134 1.00 0.83 C ATOM 1848 O THR A 116 8.567 13.138 4.190 1.00 1.67 O ATOM 1849 CB THR A 116 7.134 14.087 1.834 1.00 1.92 C ATOM 1850 OG1 THR A 116 8.292 14.898 1.592 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.343 14.647 3.011 1.00 2.51 C ATOM 0 H THR A 116 6.277 11.614 3.406 1.00 0.90 H new ATOM 0 HA THR A 116 7.956 12.236 1.133 1.00 1.08 H new ATOM 0 HB THR A 116 6.489 14.109 0.955 1.00 1.92 H new ATOM 0 HG1 THR A 116 8.118 15.501 0.839 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.072 15.683 2.807 1.00 2.51 H new ATOM 0 HG22 THR A 116 5.438 14.057 3.155 1.00 2.51 H new ATOM 0 HG23 THR A 116 6.953 14.602 3.913 1.00 2.51 H new ATOM 1859 N HIS A 117 9.607 11.665 2.866 1.00 0.72 N ATOM 1860 CA HIS A 117 10.746 11.530 3.760 1.00 1.13 C ATOM 1861 C HIS A 117 11.933 10.957 3.006 1.00 0.90 C ATOM 1862 O HIS A 117 12.914 11.648 2.748 1.00 0.97 O ATOM 1863 CB HIS A 117 10.387 10.633 4.947 1.00 1.98 C ATOM 1864 CG HIS A 117 10.954 11.109 6.249 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.166 11.562 7.284 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.232 11.196 6.684 1.00 2.33 C ATOM 1867 CE1 HIS A 117 10.936 11.908 8.299 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.192 11.695 7.960 1.00 2.63 N ATOM 0 H HIS A 117 9.637 11.064 2.042 1.00 0.72 H new ATOM 0 HA HIS A 117 11.013 12.516 4.140 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.302 10.574 5.032 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.747 9.623 4.751 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.118 10.923 6.130 1.00 2.33 H new ATOM 0 HE1 HIS A 117 10.595 12.299 9.246 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.003 11.873 8.552 1.00 2.63 H new ATOM 1877 N PHE A 118 11.822 9.690 2.647 1.00 0.76 N ATOM 1878 CA PHE A 118 12.852 9.018 1.875 1.00 0.76 C ATOM 1879 C PHE A 118 12.864 9.508 0.424 1.00 0.65 C ATOM 1880 O PHE A 118 13.914 9.870 -0.112 1.00 0.74 O ATOM 1881 CB PHE A 118 12.624 7.505 1.944 1.00 0.97 C ATOM 1882 CG PHE A 118 13.332 6.734 0.873 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.711 6.766 0.768 1.00 2.35 C ATOM 1884 CD2 PHE A 118 12.609 5.981 -0.035 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.357 6.064 -0.227 1.00 3.18 C ATOM 1886 CE2 PHE A 118 13.249 5.276 -1.029 1.00 3.21 C ATOM 1887 CZ PHE A 118 14.626 5.318 -1.127 1.00 3.54 C ATOM 0 H PHE A 118 11.022 9.102 2.880 1.00 0.76 H new ATOM 0 HA PHE A 118 13.828 9.253 2.300 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.954 7.142 2.917 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.555 7.305 1.875 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.287 7.347 1.473 1.00 2.35 H new ATOM 0 HD2 PHE A 118 11.532 5.946 0.037 1.00 2.32 H new ATOM 0 HE1 PHE A 118 16.434 6.098 -0.301 1.00 3.18 H new ATOM 0 HE2 PHE A 118 12.675 4.690 -1.732 1.00 3.21 H new ATOM 0 HZ PHE A 118 15.130 4.767 -1.908 1.00 3.54 H new ATOM 1897 N ASP A 119 11.687 9.540 -0.189 1.00 0.66 N ATOM 1898 CA ASP A 119 11.529 9.919 -1.593 1.00 0.75 C ATOM 1899 C ASP A 119 11.966 11.357 -1.797 1.00 0.74 C ATOM 1900 O ASP A 119 12.511 11.720 -2.836 1.00 0.83 O ATOM 1901 CB ASP A 119 10.062 9.779 -1.996 1.00 0.94 C ATOM 1902 CG ASP A 119 9.324 8.785 -1.125 1.00 1.34 C ATOM 1903 OD1 ASP A 119 8.994 7.686 -1.611 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.082 9.099 0.070 1.00 1.81 O ATOM 0 H ASP A 119 10.809 9.303 0.274 1.00 0.66 H new ATOM 0 HA ASP A 119 12.147 9.265 -2.208 1.00 0.75 H new ATOM 0 HB2 ASP A 119 9.574 10.751 -1.929 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.001 9.463 -3.037 1.00 0.94 H new ATOM 1909 N ARG A 120 11.696 12.156 -0.778 1.00 0.76 N ATOM 1910 CA ARG A 120 12.075 13.566 -0.717 1.00 0.89 C ATOM 1911 C ARG A 120 13.568 13.775 -1.006 1.00 0.83 C ATOM 1912 O ARG A 120 13.978 14.846 -1.459 1.00 1.00 O ATOM 1913 CB ARG A 120 11.722 14.085 0.676 1.00 1.07 C ATOM 1914 CG ARG A 120 11.873 15.581 0.874 1.00 1.50 C ATOM 1915 CD ARG A 120 11.509 15.952 2.301 1.00 1.71 C ATOM 1916 NE ARG A 120 11.607 17.383 2.566 1.00 2.15 N ATOM 1917 CZ ARG A 120 12.227 17.890 3.629 1.00 2.66 C ATOM 1918 NH1 ARG A 120 12.896 17.091 4.453 1.00 2.90 N ATOM 1919 NH2 ARG A 120 12.189 19.194 3.864 1.00 3.38 N ATOM 0 H ARG A 120 11.195 11.839 0.052 1.00 0.76 H new ATOM 0 HA ARG A 120 11.532 14.117 -1.485 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.691 13.809 0.897 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.351 13.574 1.405 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.898 15.883 0.660 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.231 16.116 0.175 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.492 15.620 2.508 1.00 1.71 H new ATOM 0 HD3 ARG A 120 12.165 15.416 2.987 1.00 1.71 H new ATOM 0 HE ARG A 120 11.178 18.028 1.903 1.00 2.15 H new ATOM 0 HH11 ARG A 120 12.935 16.088 4.271 1.00 2.90 H new ATOM 0 HH12 ARG A 120 13.371 17.480 5.267 1.00 2.90 H new ATOM 0 HH21 ARG A 120 11.684 19.812 3.229 1.00 3.38 H new ATOM 0 HH22 ARG A 120 12.665 19.579 4.680 1.00 3.38 H new ATOM 1933 N MET A 121 14.374 12.743 -0.760 1.00 0.73 N ATOM 1934 CA MET A 121 15.818 12.823 -0.982 1.00 0.91 C ATOM 1935 C MET A 121 16.148 12.636 -2.461 1.00 1.12 C ATOM 1936 O MET A 121 17.299 12.807 -2.876 1.00 1.41 O ATOM 1937 CB MET A 121 16.553 11.772 -0.144 1.00 1.05 C ATOM 1938 CG MET A 121 16.423 11.988 1.357 1.00 1.28 C ATOM 1939 SD MET A 121 17.161 13.539 1.910 1.00 2.15 S ATOM 1940 CE MET A 121 18.878 13.266 1.482 1.00 2.43 C ATOM 0 H MET A 121 14.052 11.842 -0.407 1.00 0.73 H new ATOM 0 HA MET A 121 16.152 13.813 -0.672 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.166 10.784 -0.395 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.609 11.779 -0.413 1.00 1.05 H new ATOM 0 HG2 MET A 121 15.368 11.976 1.631 1.00 1.28 H new ATOM 0 HG3 MET A 121 16.898 11.158 1.881 1.00 1.28 H new ATOM 0 HE1 MET A 121 19.507 13.956 2.045 1.00 2.43 H new ATOM 0 HE2 MET A 121 19.155 12.240 1.726 1.00 2.43 H new ATOM 0 HE3 MET A 121 19.018 13.436 0.414 1.00 2.43 H new ATOM 1950 N GLY A 122 15.128 12.258 -3.235 1.00 1.18 N ATOM 1951 CA GLY A 122 15.249 12.129 -4.678 1.00 1.61 C ATOM 1952 C GLY A 122 16.512 11.424 -5.120 1.00 1.21 C ATOM 1953 O GLY A 122 16.886 10.395 -4.548 1.00 1.30 O ATOM 0 H GLY A 122 14.200 12.035 -2.875 1.00 1.18 H new ATOM 0 HA2 GLY A 122 14.386 11.583 -5.059 1.00 1.61 H new ATOM 0 HA3 GLY A 122 15.221 13.122 -5.127 1.00 1.61 H new ATOM 1957 N THR A 123 17.157 11.999 -6.136 1.00 1.27 N ATOM 1958 CA THR A 123 18.434 11.522 -6.661 1.00 1.42 C ATOM 1959 C THR A 123 18.500 9.994 -6.737 1.00 1.27 C ATOM 1960 O THR A 123 17.561 9.345 -7.208 1.00 1.24 O ATOM 1961 CB THR A 123 19.617 12.073 -5.830 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.404 11.844 -4.429 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.806 13.563 -6.081 1.00 2.58 C ATOM 0 H THR A 123 16.800 12.821 -6.623 1.00 1.27 H new ATOM 0 HA THR A 123 18.514 11.901 -7.680 1.00 1.42 H new ATOM 0 HB THR A 123 20.518 11.545 -6.143 1.00 1.94 H new ATOM 0 HG1 THR A 123 18.673 12.415 -4.112 1.00 2.44 H new ATOM 0 HG21 THR A 123 20.643 13.929 -5.486 1.00 2.58 H new ATOM 0 HG22 THR A 123 20.011 13.731 -7.138 1.00 2.58 H new ATOM 0 HG23 THR A 123 18.899 14.098 -5.798 1.00 2.58 H new ATOM 1971 N LYS A 124 19.604 9.430 -6.257 1.00 1.28 N ATOM 1972 CA LYS A 124 19.821 7.991 -6.294 1.00 1.24 C ATOM 1973 C LYS A 124 18.712 7.238 -5.569 1.00 1.05 C ATOM 1974 O LYS A 124 18.331 6.146 -5.975 1.00 1.04 O ATOM 1975 CB LYS A 124 21.162 7.647 -5.646 1.00 1.43 C ATOM 1976 CG LYS A 124 22.371 8.204 -6.377 1.00 2.04 C ATOM 1977 CD LYS A 124 23.644 7.974 -5.578 1.00 2.45 C ATOM 1978 CE LYS A 124 24.883 8.372 -6.361 1.00 3.14 C ATOM 1979 NZ LYS A 124 25.072 7.514 -7.557 1.00 3.80 N ATOM 0 H LYS A 124 20.369 9.956 -5.834 1.00 1.28 H new ATOM 0 HA LYS A 124 19.820 7.686 -7.341 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.165 8.024 -4.623 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.256 6.563 -5.587 1.00 1.43 H new ATOM 0 HG2 LYS A 124 22.460 7.730 -7.354 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.235 9.271 -6.552 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.600 8.547 -4.652 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.713 6.923 -5.299 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.800 9.414 -6.669 1.00 3.14 H new ATOM 0 HE3 LYS A 124 25.760 8.299 -5.718 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 26.044 7.622 -7.912 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 24.906 6.520 -7.301 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 24.399 7.798 -8.298 1.00 3.80 H new ATOM 1993 N HIS A 125 18.176 7.847 -4.518 1.00 0.96 N ATOM 1994 CA HIS A 125 17.239 7.166 -3.631 1.00 0.85 C ATOM 1995 C HIS A 125 15.937 6.847 -4.362 1.00 0.76 C ATOM 1996 O HIS A 125 15.490 5.695 -4.408 1.00 0.76 O ATOM 1997 CB HIS A 125 16.938 8.031 -2.397 1.00 0.85 C ATOM 1998 CG HIS A 125 18.156 8.484 -1.645 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.408 8.154 -0.331 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.181 9.277 -2.031 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.535 8.724 0.053 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.022 9.411 -0.960 1.00 2.12 N ATOM 0 H HIS A 125 18.374 8.813 -4.258 1.00 0.96 H new ATOM 0 HA HIS A 125 17.701 6.233 -3.308 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.374 8.908 -2.712 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.297 7.466 -1.720 1.00 0.85 H new ATOM 0 HD2 HIS A 125 19.312 9.723 -3.006 1.00 1.80 H new ATOM 0 HE1 HIS A 125 19.982 8.641 1.032 1.00 2.14 H new ATOM 0 HE2 HIS A 125 20.885 9.954 -0.948 1.00 2.12 H new ATOM 2011 N ALA A 126 15.354 7.869 -4.964 1.00 0.77 N ATOM 2012 CA ALA A 126 14.074 7.723 -5.635 1.00 0.80 C ATOM 2013 C ALA A 126 14.220 6.925 -6.925 1.00 0.86 C ATOM 2014 O ALA A 126 13.338 6.150 -7.293 1.00 0.92 O ATOM 2015 CB ALA A 126 13.469 9.088 -5.914 1.00 0.92 C ATOM 0 H ALA A 126 15.747 8.810 -5.002 1.00 0.77 H new ATOM 0 HA ALA A 126 13.403 7.172 -4.976 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.510 8.965 -6.417 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.320 9.619 -4.974 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.142 9.661 -6.552 1.00 0.92 H new ATOM 2021 N LYS A 127 15.351 7.099 -7.601 1.00 0.92 N ATOM 2022 CA LYS A 127 15.590 6.421 -8.868 1.00 1.05 C ATOM 2023 C LYS A 127 15.885 4.935 -8.666 1.00 0.97 C ATOM 2024 O LYS A 127 15.596 4.117 -9.541 1.00 1.04 O ATOM 2025 CB LYS A 127 16.736 7.095 -9.624 1.00 1.26 C ATOM 2026 CG LYS A 127 16.431 8.535 -10.013 1.00 1.55 C ATOM 2027 CD LYS A 127 17.616 9.209 -10.686 1.00 1.93 C ATOM 2028 CE LYS A 127 17.925 8.603 -12.049 1.00 2.38 C ATOM 2029 NZ LYS A 127 16.776 8.715 -12.990 1.00 2.83 N ATOM 0 H LYS A 127 16.114 7.702 -7.293 1.00 0.92 H new ATOM 0 HA LYS A 127 14.679 6.498 -9.462 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.633 7.075 -9.005 1.00 1.26 H new ATOM 0 HB3 LYS A 127 16.957 6.521 -10.524 1.00 1.26 H new ATOM 0 HG2 LYS A 127 15.573 8.554 -10.686 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.151 9.099 -9.123 1.00 1.55 H new ATOM 0 HD2 LYS A 127 17.409 10.273 -10.802 1.00 1.93 H new ATOM 0 HD3 LYS A 127 18.493 9.123 -10.045 1.00 1.93 H new ATOM 0 HE2 LYS A 127 18.793 9.103 -12.478 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.190 7.553 -11.926 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 17.102 8.529 -13.960 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 16.046 8.021 -12.731 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 16.376 9.674 -12.937 1.00 2.83 H new ATOM 2043 N ARG A 128 16.457 4.583 -7.520 1.00 0.94 N ATOM 2044 CA ARG A 128 16.781 3.186 -7.244 1.00 1.00 C ATOM 2045 C ARG A 128 15.534 2.396 -6.846 1.00 0.97 C ATOM 2046 O ARG A 128 15.390 1.230 -7.216 1.00 1.09 O ATOM 2047 CB ARG A 128 17.868 3.070 -6.166 1.00 1.14 C ATOM 2048 CG ARG A 128 17.429 3.479 -4.768 1.00 1.11 C ATOM 2049 CD ARG A 128 18.626 3.692 -3.863 1.00 1.34 C ATOM 2050 NE ARG A 128 18.244 3.967 -2.479 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.064 4.515 -1.580 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.281 4.912 -1.942 1.00 2.14 N ATOM 2053 NH2 ARG A 128 18.664 4.673 -0.325 1.00 2.59 N ATOM 0 H ARG A 128 16.704 5.235 -6.775 1.00 0.94 H new ATOM 0 HA ARG A 128 17.173 2.753 -8.164 1.00 1.00 H new ATOM 0 HB2 ARG A 128 18.219 2.038 -6.134 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.718 3.687 -6.459 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.841 4.395 -4.821 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.782 2.710 -4.346 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.260 2.806 -3.891 1.00 1.34 H new ATOM 0 HD3 ARG A 128 19.221 4.522 -4.243 1.00 1.34 H new ATOM 0 HE ARG A 128 17.298 3.727 -2.184 1.00 1.59 H new ATOM 0 HH11 ARG A 128 20.588 4.798 -2.908 1.00 2.14 H new ATOM 0 HH12 ARG A 128 20.907 5.331 -1.254 1.00 2.14 H new ATOM 0 HH21 ARG A 128 17.729 4.375 -0.046 1.00 2.59 H new ATOM 0 HH22 ARG A 128 19.292 5.092 0.361 1.00 2.59 H new ATOM 2067 N VAL A 129 14.626 3.026 -6.106 1.00 0.91 N ATOM 2068 CA VAL A 129 13.378 2.363 -5.727 1.00 1.04 C ATOM 2069 C VAL A 129 12.411 2.329 -6.911 1.00 1.04 C ATOM 2070 O VAL A 129 11.538 1.456 -7.005 1.00 1.19 O ATOM 2071 CB VAL A 129 12.732 3.052 -4.508 1.00 1.16 C ATOM 2072 CG1 VAL A 129 11.393 2.423 -4.146 1.00 1.43 C ATOM 2073 CG2 VAL A 129 13.681 2.984 -3.329 1.00 1.48 C ATOM 0 H VAL A 129 14.726 3.980 -5.760 1.00 0.91 H new ATOM 0 HA VAL A 129 13.610 1.337 -5.443 1.00 1.04 H new ATOM 0 HB VAL A 129 12.541 4.093 -4.767 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.971 2.937 -3.282 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.709 2.511 -4.990 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.539 1.370 -3.906 1.00 1.43 H new ATOM 0 HG21 VAL A 129 13.225 3.471 -2.467 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.889 1.941 -3.089 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.612 3.491 -3.582 1.00 1.48 H new ATOM 2083 N ARG A 130 12.603 3.265 -7.838 1.00 0.99 N ATOM 2084 CA ARG A 130 11.848 3.300 -9.089 1.00 1.14 C ATOM 2085 C ARG A 130 12.029 1.999 -9.881 1.00 1.05 C ATOM 2086 O ARG A 130 11.203 1.656 -10.729 1.00 1.24 O ATOM 2087 CB ARG A 130 12.287 4.510 -9.928 1.00 1.30 C ATOM 2088 CG ARG A 130 11.893 4.433 -11.396 1.00 1.75 C ATOM 2089 CD ARG A 130 12.084 5.762 -12.105 1.00 1.86 C ATOM 2090 NE ARG A 130 11.079 6.743 -11.701 1.00 2.36 N ATOM 2091 CZ ARG A 130 11.301 8.053 -11.641 1.00 2.92 C ATOM 2092 NH1 ARG A 130 12.503 8.542 -11.925 1.00 3.04 N ATOM 2093 NH2 ARG A 130 10.320 8.880 -11.304 1.00 3.83 N ATOM 0 H ARG A 130 13.284 4.018 -7.744 1.00 0.99 H new ATOM 0 HA ARG A 130 10.789 3.397 -8.851 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.855 5.413 -9.495 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.370 4.610 -9.860 1.00 1.30 H new ATOM 0 HG2 ARG A 130 12.490 3.668 -11.892 1.00 1.75 H new ATOM 0 HG3 ARG A 130 10.850 4.126 -11.476 1.00 1.75 H new ATOM 0 HD2 ARG A 130 13.079 6.150 -11.887 1.00 1.86 H new ATOM 0 HD3 ARG A 130 12.030 5.610 -13.183 1.00 1.86 H new ATOM 0 HE ARG A 130 10.151 6.402 -11.450 1.00 2.36 H new ATOM 0 HH11 ARG A 130 13.260 7.912 -12.190 1.00 3.04 H new ATOM 0 HH12 ARG A 130 12.669 9.547 -11.878 1.00 3.04 H new ATOM 0 HH21 ARG A 130 9.393 8.512 -11.090 1.00 3.83 H new ATOM 0 HH22 ARG A 130 10.493 9.884 -11.259 1.00 3.83 H new ATOM 2107 N ASN A 131 13.093 1.263 -9.567 1.00 0.85 N ATOM 2108 CA ASN A 131 13.395 -0.001 -10.236 1.00 0.88 C ATOM 2109 C ASN A 131 12.230 -0.988 -10.116 1.00 1.08 C ATOM 2110 O ASN A 131 12.102 -1.909 -10.920 1.00 1.24 O ATOM 2111 CB ASN A 131 14.664 -0.623 -9.640 1.00 0.88 C ATOM 2112 CG ASN A 131 15.233 -1.736 -10.500 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.055 -1.754 -11.715 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.941 -2.664 -9.877 1.00 2.04 N ATOM 0 H ASN A 131 13.766 1.523 -8.846 1.00 0.85 H new ATOM 0 HA ASN A 131 13.555 0.211 -11.293 1.00 0.88 H new ATOM 0 HB2 ASN A 131 15.418 0.153 -9.513 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.440 -1.015 -8.648 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.360 -3.427 -10.408 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.067 -2.616 -8.866 1.00 2.04 H new ATOM 2121 N GLY A 132 11.385 -0.794 -9.106 1.00 1.23 N ATOM 2122 CA GLY A 132 10.257 -1.685 -8.912 1.00 1.61 C ATOM 2123 C GLY A 132 8.967 -0.961 -8.559 1.00 1.21 C ATOM 2124 O GLY A 132 7.924 -1.218 -9.159 1.00 1.24 O ATOM 0 H GLY A 132 11.462 -0.040 -8.423 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.102 -2.265 -9.822 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.496 -2.393 -8.119 1.00 1.61 H new ATOM 2128 N MET A 133 9.037 -0.041 -7.605 1.00 1.24 N ATOM 2129 CA MET A 133 7.834 0.589 -7.061 1.00 1.38 C ATOM 2130 C MET A 133 7.178 1.532 -8.071 1.00 1.35 C ATOM 2131 O MET A 133 5.966 1.756 -8.023 1.00 1.56 O ATOM 2132 CB MET A 133 8.176 1.352 -5.777 1.00 2.06 C ATOM 2133 CG MET A 133 6.969 1.968 -5.083 1.00 2.92 C ATOM 2134 SD MET A 133 7.407 2.807 -3.549 1.00 3.99 S ATOM 2135 CE MET A 133 5.806 3.400 -3.007 1.00 4.83 C ATOM 0 H MET A 133 9.910 0.287 -7.191 1.00 1.24 H new ATOM 0 HA MET A 133 7.120 -0.203 -6.836 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.673 0.673 -5.084 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.888 2.142 -6.015 1.00 2.06 H new ATOM 0 HG2 MET A 133 6.490 2.678 -5.757 1.00 2.92 H new ATOM 0 HG3 MET A 133 6.239 1.187 -4.870 1.00 2.92 H new ATOM 0 HE1 MET A 133 5.917 3.941 -2.067 1.00 4.83 H new ATOM 0 HE2 MET A 133 5.390 4.067 -3.762 1.00 4.83 H new ATOM 0 HE3 MET A 133 5.135 2.554 -2.861 1.00 4.83 H new ATOM 2145 N ASP A 134 7.978 2.051 -8.996 1.00 1.38 N ATOM 2146 CA ASP A 134 7.516 3.059 -9.954 1.00 1.84 C ATOM 2147 C ASP A 134 6.354 2.551 -10.806 1.00 1.95 C ATOM 2148 O ASP A 134 5.380 3.263 -11.021 1.00 2.41 O ATOM 2149 CB ASP A 134 8.668 3.486 -10.862 1.00 2.05 C ATOM 2150 CG ASP A 134 8.293 4.615 -11.801 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.558 5.786 -11.462 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.756 4.336 -12.892 1.00 2.28 O ATOM 0 H ASP A 134 8.958 1.790 -9.106 1.00 1.38 H new ATOM 0 HA ASP A 134 7.160 3.914 -9.379 1.00 1.84 H new ATOM 0 HB2 ASP A 134 9.512 3.797 -10.247 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.999 2.628 -11.447 1.00 2.05 H new ATOM 2157 N LYS A 135 6.459 1.320 -11.287 1.00 1.70 N ATOM 2158 CA LYS A 135 5.411 0.740 -12.122 1.00 2.03 C ATOM 2159 C LYS A 135 4.466 -0.123 -11.297 1.00 1.70 C ATOM 2160 O LYS A 135 3.566 -0.769 -11.834 1.00 2.17 O ATOM 2161 CB LYS A 135 6.026 -0.090 -13.251 1.00 2.40 C ATOM 2162 CG LYS A 135 6.676 0.749 -14.341 1.00 3.08 C ATOM 2163 CD LYS A 135 5.652 1.612 -15.065 1.00 3.44 C ATOM 2164 CE LYS A 135 4.599 0.763 -15.764 1.00 3.61 C ATOM 2165 NZ LYS A 135 3.581 1.596 -16.457 1.00 4.15 N ATOM 0 H LYS A 135 7.254 0.705 -11.116 1.00 1.70 H new ATOM 0 HA LYS A 135 4.837 1.559 -12.555 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.772 -0.764 -12.830 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.250 -0.712 -13.697 1.00 2.40 H new ATOM 0 HG2 LYS A 135 7.445 1.385 -13.902 1.00 3.08 H new ATOM 0 HG3 LYS A 135 7.174 0.095 -15.057 1.00 3.08 H new ATOM 0 HD2 LYS A 135 5.168 2.279 -14.352 1.00 3.44 H new ATOM 0 HD3 LYS A 135 6.158 2.241 -15.797 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.084 0.107 -16.487 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.106 0.122 -15.033 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 2.884 0.979 -16.919 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 3.100 2.204 -15.764 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 4.047 2.189 -17.173 1.00 4.15 H new ATOM 2179 N GLY A 136 4.660 -0.112 -9.992 1.00 1.04 N ATOM 2180 CA GLY A 136 3.853 -0.937 -9.126 1.00 0.79 C ATOM 2181 C GLY A 136 2.774 -0.156 -8.411 1.00 0.65 C ATOM 2182 O GLY A 136 1.590 -0.391 -8.630 1.00 0.57 O ATOM 0 H GLY A 136 5.363 0.454 -9.516 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.392 -1.730 -9.714 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.495 -1.419 -8.389 1.00 0.79 H new ATOM 2186 N TRP A 137 3.187 0.801 -7.588 1.00 0.68 N ATOM 2187 CA TRP A 137 2.274 1.488 -6.671 1.00 0.67 C ATOM 2188 C TRP A 137 1.137 2.231 -7.399 1.00 0.57 C ATOM 2189 O TRP A 137 -0.025 2.077 -7.025 1.00 0.56 O ATOM 2190 CB TRP A 137 3.054 2.442 -5.761 1.00 0.81 C ATOM 2191 CG TRP A 137 2.387 2.682 -4.442 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.950 1.728 -3.566 1.00 1.62 C ATOM 2193 CD2 TRP A 137 2.101 3.947 -3.831 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.399 2.320 -2.458 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.482 3.680 -2.594 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.303 5.277 -4.209 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.067 4.693 -1.735 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 1.892 6.282 -3.353 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.281 5.985 -2.130 1.00 2.32 C ATOM 0 H TRP A 137 4.153 1.123 -7.534 1.00 0.68 H new ATOM 0 HA TRP A 137 1.797 0.720 -6.062 1.00 0.67 H new ATOM 0 HB2 TRP A 137 4.050 2.034 -5.588 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.185 3.395 -6.273 1.00 0.81 H new ATOM 0 HD1 TRP A 137 2.027 0.662 -3.723 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.993 1.827 -1.662 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.772 5.516 -5.152 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.593 4.467 -0.791 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.045 7.314 -3.633 1.00 2.78 H new ATOM 0 HH2 TRP A 137 0.972 6.793 -1.484 1.00 2.32 H new ATOM 2210 N PRO A 138 1.426 3.052 -8.435 1.00 0.58 N ATOM 2211 CA PRO A 138 0.370 3.719 -9.208 1.00 0.61 C ATOM 2212 C PRO A 138 -0.601 2.719 -9.833 1.00 0.58 C ATOM 2213 O PRO A 138 -1.820 2.893 -9.769 1.00 0.64 O ATOM 2214 CB PRO A 138 1.131 4.482 -10.299 1.00 0.68 C ATOM 2215 CG PRO A 138 2.497 3.891 -10.316 1.00 0.66 C ATOM 2216 CD PRO A 138 2.765 3.427 -8.915 1.00 0.63 C ATOM 0 HA PRO A 138 -0.243 4.365 -8.580 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.644 4.372 -11.268 1.00 0.68 H new ATOM 0 HB3 PRO A 138 1.167 5.549 -10.079 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.554 3.060 -11.020 1.00 0.66 H new ATOM 0 HG3 PRO A 138 3.237 4.627 -10.631 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.454 2.583 -8.893 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.207 4.215 -8.305 1.00 0.63 H new ATOM 2224 N THR A 139 -0.045 1.663 -10.420 1.00 0.57 N ATOM 2225 CA THR A 139 -0.837 0.581 -10.986 1.00 0.62 C ATOM 2226 C THR A 139 -1.714 -0.051 -9.908 1.00 0.54 C ATOM 2227 O THR A 139 -2.887 -0.366 -10.137 1.00 0.55 O ATOM 2228 CB THR A 139 0.086 -0.489 -11.601 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.977 0.127 -12.542 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.711 -1.583 -12.293 1.00 0.87 C ATOM 0 H THR A 139 0.962 1.535 -10.515 1.00 0.57 H new ATOM 0 HA THR A 139 -1.476 0.991 -11.768 1.00 0.62 H new ATOM 0 HB THR A 139 0.656 -0.947 -10.793 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.896 -0.158 -12.357 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.027 -2.320 -12.715 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.367 -2.068 -11.570 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.311 -1.146 -13.091 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.123 -0.212 -8.728 1.00 0.50 N ATOM 2239 CA ILE A 140 -1.823 -0.725 -7.563 1.00 0.47 C ATOM 2240 C ILE A 140 -3.069 0.095 -7.275 1.00 0.42 C ATOM 2241 O ILE A 140 -4.160 -0.453 -7.172 1.00 0.44 O ATOM 2242 CB ILE A 140 -0.900 -0.728 -6.320 1.00 0.51 C ATOM 2243 CG1 ILE A 140 0.138 -1.848 -6.428 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -1.704 -0.863 -5.039 1.00 0.54 C ATOM 2245 CD1 ILE A 140 1.111 -1.893 -5.268 1.00 0.72 C ATOM 0 H ILE A 140 -0.143 0.011 -8.556 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.120 -1.751 -7.782 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.377 0.228 -6.285 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.379 -2.805 -6.494 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.698 -1.724 -7.355 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.028 -0.862 -4.184 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.397 -0.026 -4.955 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.264 -1.798 -5.058 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.815 -2.712 -5.415 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.656 -0.951 -5.214 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.563 -2.049 -4.339 1.00 0.72 H new ATOM 2257 N LEU A 141 -2.907 1.407 -7.188 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.006 2.291 -6.813 1.00 0.36 C ATOM 2259 C LEU A 141 -5.159 2.226 -7.810 1.00 0.38 C ATOM 2260 O LEU A 141 -6.315 2.408 -7.435 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.512 3.732 -6.680 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.429 3.952 -5.622 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.115 5.436 -5.483 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -2.864 3.359 -4.286 1.00 0.56 C ATOM 0 H LEU A 141 -2.025 1.885 -7.372 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.381 1.947 -5.849 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.126 4.058 -7.646 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.363 4.371 -6.445 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.520 3.442 -5.941 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.343 5.575 -4.726 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -1.761 5.824 -6.438 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.016 5.972 -5.185 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.083 3.523 -3.543 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -3.785 3.840 -3.957 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.035 2.289 -4.401 1.00 0.56 H new ATOM 2276 N GLN A 142 -4.852 1.963 -9.073 1.00 0.43 N ATOM 2277 CA GLN A 142 -5.885 1.895 -10.100 1.00 0.48 C ATOM 2278 C GLN A 142 -6.739 0.643 -9.918 1.00 0.47 C ATOM 2279 O GLN A 142 -7.964 0.718 -9.791 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.264 1.903 -11.499 1.00 0.58 C ATOM 2281 CG GLN A 142 -4.342 3.084 -11.771 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.013 4.420 -11.527 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -5.647 4.986 -12.417 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.871 4.936 -10.321 1.00 0.77 N ATOM 0 H GLN A 142 -3.904 1.794 -9.410 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.520 2.775 -9.996 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.702 0.979 -11.639 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.065 1.905 -12.239 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -3.460 3.004 -11.136 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -3.996 3.039 -12.804 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -4.337 4.434 -9.611 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -5.295 5.837 -10.098 1.00 0.77 H new ATOM 2293 N SER A 143 -6.086 -0.508 -9.893 1.00 0.49 N ATOM 2294 CA SER A 143 -6.779 -1.771 -9.697 1.00 0.53 C ATOM 2295 C SER A 143 -7.344 -1.861 -8.279 1.00 0.45 C ATOM 2296 O SER A 143 -8.279 -2.615 -8.025 1.00 0.46 O ATOM 2297 CB SER A 143 -5.832 -2.930 -9.982 1.00 0.64 C ATOM 2298 OG SER A 143 -5.226 -2.782 -11.256 1.00 1.15 O ATOM 0 H SER A 143 -5.076 -0.593 -10.006 1.00 0.49 H new ATOM 0 HA SER A 143 -7.616 -1.827 -10.393 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.063 -2.975 -9.211 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.380 -3.872 -9.942 1.00 0.64 H new ATOM 0 HG SER A 143 -4.620 -3.535 -11.420 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.764 -1.088 -7.362 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.262 -0.999 -5.996 1.00 0.36 C ATOM 2306 C PHE A 144 -8.683 -0.445 -6.000 1.00 0.32 C ATOM 2307 O PHE A 144 -9.600 -1.041 -5.442 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.335 -0.105 -5.160 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.884 0.303 -3.821 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.152 -0.640 -2.844 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.117 1.639 -3.539 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.639 -0.256 -1.611 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.607 2.028 -2.307 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.868 1.079 -1.342 1.00 0.78 C ATOM 0 H PHE A 144 -5.943 -0.512 -7.545 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.278 -1.994 -5.551 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.392 -0.629 -5.005 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.109 0.794 -5.733 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.978 -1.686 -3.048 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -6.913 2.386 -4.292 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.841 -1.001 -0.855 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.785 3.073 -2.101 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.251 1.379 -0.378 1.00 0.78 H new ATOM 2324 N GLN A 145 -8.843 0.695 -6.664 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.146 1.335 -6.821 1.00 0.31 C ATOM 2326 C GLN A 145 -11.117 0.412 -7.543 1.00 0.35 C ATOM 2327 O GLN A 145 -12.308 0.379 -7.237 1.00 0.42 O ATOM 2328 CB GLN A 145 -9.989 2.625 -7.624 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.145 3.667 -6.926 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.782 4.829 -7.828 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.518 5.808 -7.934 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.630 4.734 -8.470 1.00 0.66 N ATOM 0 H GLN A 145 -8.076 1.201 -7.108 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.542 1.557 -5.830 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.540 2.391 -8.589 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -10.976 3.042 -7.824 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -9.685 4.043 -6.057 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.232 3.200 -6.557 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.049 3.904 -8.354 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.323 5.491 -9.081 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.593 -0.341 -8.497 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.422 -1.174 -9.356 1.00 0.43 C ATOM 2343 C ASP A 146 -11.884 -2.435 -8.633 1.00 0.40 C ATOM 2344 O ASP A 146 -13.034 -2.850 -8.775 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.672 -1.537 -10.636 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.621 -1.811 -11.780 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.359 -0.880 -12.171 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.628 -2.939 -12.307 1.00 1.46 O ATOM 0 H ASP A 146 -9.594 -0.393 -8.697 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.309 -0.598 -9.621 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.000 -0.723 -10.907 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.053 -2.416 -10.458 1.00 0.55 H new ATOM 2353 N LYS A 147 -10.993 -3.040 -7.850 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.354 -4.207 -7.051 1.00 0.51 C ATOM 2355 C LYS A 147 -12.433 -3.832 -6.045 1.00 0.48 C ATOM 2356 O LYS A 147 -13.397 -4.568 -5.844 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.128 -4.778 -6.324 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.430 -6.021 -5.500 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.068 -7.109 -6.348 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.373 -8.353 -5.531 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.237 -8.068 -4.352 1.00 1.74 N ATOM 0 H LYS A 147 -10.022 -2.743 -7.753 1.00 0.42 H new ATOM 0 HA LYS A 147 -11.738 -4.976 -7.721 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.360 -5.018 -7.059 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.715 -4.011 -5.670 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.508 -6.397 -5.056 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.097 -5.761 -4.678 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -11.989 -6.731 -6.792 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.400 -7.368 -7.170 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.864 -9.089 -6.167 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.438 -8.798 -5.192 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -12.498 -8.962 -3.888 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -11.719 -7.467 -3.679 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.098 -7.576 -4.664 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.266 -2.670 -5.429 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.256 -2.139 -4.506 1.00 0.40 C ATOM 2377 C ILE A 148 -14.558 -1.840 -5.241 1.00 0.42 C ATOM 2378 O ILE A 148 -15.653 -2.023 -4.707 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.743 -0.858 -3.826 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.557 -1.176 -2.919 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.852 -0.189 -3.030 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.014 0.032 -2.192 1.00 0.37 C ATOM 0 H ILE A 148 -11.448 -2.074 -5.554 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.438 -2.892 -3.740 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.414 -0.167 -4.603 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.860 -1.925 -2.187 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.761 -1.619 -3.517 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.467 0.715 -2.558 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.673 0.072 -3.698 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.213 -0.874 -2.263 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.173 -0.267 -1.566 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.680 0.774 -2.918 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.796 0.463 -1.567 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.426 -1.390 -6.478 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.574 -1.098 -7.323 1.00 0.49 C ATOM 2396 C ASP A 149 -16.413 -2.360 -7.506 1.00 0.55 C ATOM 2397 O ASP A 149 -17.639 -2.314 -7.461 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.094 -0.563 -8.677 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.168 0.160 -9.464 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.712 1.157 -8.948 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.422 -0.220 -10.621 1.00 0.77 O ATOM 0 H ASP A 149 -13.525 -1.217 -6.924 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.194 -0.337 -6.849 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.257 0.116 -8.513 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.717 -1.394 -9.273 1.00 0.54 H new ATOM 2406 N GLU A 150 -15.735 -3.495 -7.646 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.399 -4.783 -7.841 1.00 0.68 C ATOM 2408 C GLU A 150 -17.195 -5.188 -6.609 1.00 0.75 C ATOM 2409 O GLU A 150 -18.127 -5.987 -6.695 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.381 -5.883 -8.137 1.00 0.76 C ATOM 2411 CG GLU A 150 -14.639 -5.719 -9.448 1.00 0.78 C ATOM 2412 CD GLU A 150 -13.683 -6.864 -9.700 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.463 -6.663 -9.571 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.160 -7.984 -10.006 1.00 1.50 O ATOM 0 H GLU A 150 -14.717 -3.550 -7.628 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.074 -4.664 -8.688 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.655 -5.916 -7.325 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -15.895 -6.844 -8.143 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.356 -5.658 -10.266 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.086 -4.780 -9.438 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.823 -4.635 -5.466 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.415 -5.028 -4.198 1.00 0.84 C ATOM 2423 C GLU A 151 -18.840 -4.488 -4.045 1.00 0.88 C ATOM 2424 O GLU A 151 -19.546 -4.853 -3.103 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.541 -4.544 -3.039 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.105 -5.051 -3.091 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.008 -6.565 -3.082 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -14.741 -7.152 -4.154 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.192 -7.171 -2.005 1.00 1.63 O ATOM 0 H GLU A 151 -16.110 -3.909 -5.391 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.471 -6.116 -4.181 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.531 -3.454 -3.036 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.993 -4.861 -2.099 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.623 -4.667 -3.990 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.554 -4.652 -2.239 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.272 -3.630 -4.965 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.620 -3.104 -4.876 1.00 0.96 C ATOM 2438 C GLY A 152 -21.014 -2.207 -6.035 1.00 1.04 C ATOM 2439 O GLY A 152 -22.085 -2.377 -6.617 1.00 1.32 O ATOM 0 H GLY A 152 -18.723 -3.295 -5.757 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -21.321 -3.937 -4.821 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -20.719 -2.543 -3.947 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.145 -1.270 -6.384 1.00 1.14 N ATOM 2444 CA ALA A 153 -20.490 -0.223 -7.340 1.00 1.47 C ATOM 2445 C ALA A 153 -20.510 -0.726 -8.782 1.00 1.29 C ATOM 2446 O ALA A 153 -21.383 -0.344 -9.568 1.00 1.70 O ATOM 2447 CB ALA A 153 -19.522 0.940 -7.202 1.00 1.92 C ATOM 0 H ALA A 153 -19.194 -1.211 -6.020 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.502 0.108 -7.107 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -19.784 1.719 -7.918 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -19.579 1.343 -6.191 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -18.507 0.594 -7.398 1.00 1.92 H new ATOM 2453 N LYS A 154 -19.562 -1.588 -9.114 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.365 -2.046 -10.484 1.00 1.02 C ATOM 2455 C LYS A 154 -20.509 -2.938 -10.945 1.00 1.38 C ATOM 2456 O LYS A 154 -20.578 -4.116 -10.590 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.040 -2.797 -10.593 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.606 -3.088 -12.019 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.260 -3.792 -12.048 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.151 -2.912 -11.483 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.861 -1.750 -12.361 1.00 1.32 N ATOM 0 H LYS A 154 -18.907 -1.991 -8.444 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.343 -1.170 -11.132 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.263 -2.213 -10.100 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.123 -3.739 -10.051 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.355 -3.708 -12.511 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.545 -2.156 -12.581 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.320 -4.716 -11.473 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.017 -4.070 -13.073 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.439 -2.556 -10.494 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.246 -3.506 -11.357 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.837 -1.569 -12.370 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.185 -1.956 -13.328 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.358 -0.910 -12.001 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.406 -2.354 -11.721 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.520 -3.074 -12.314 1.00 2.44 C ATOM 2477 C LYS A 155 -22.829 -2.488 -13.680 1.00 3.14 C ATOM 2478 O LYS A 155 -22.405 -3.082 -14.692 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.769 -3.015 -11.421 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.712 -3.949 -10.222 1.00 2.95 C ATOM 2481 CD LYS A 155 -23.532 -5.396 -10.656 1.00 3.46 C ATOM 2482 CE LYS A 155 -23.485 -6.336 -9.465 1.00 3.45 C ATOM 2483 NZ LYS A 155 -24.790 -6.401 -8.757 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.452 -1.406 -13.735 1.00 3.60 O ATOM 0 H LYS A 155 -21.382 -1.362 -11.959 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.236 -4.121 -12.416 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -23.903 -1.993 -11.067 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -24.645 -3.262 -12.021 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -22.888 -3.658 -9.570 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -24.628 -3.853 -9.640 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -24.352 -5.683 -11.315 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -22.612 -5.492 -11.232 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -23.205 -7.334 -9.801 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -22.712 -6.005 -8.772 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -24.769 -7.173 -8.060 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -24.966 -5.499 -8.270 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -25.550 -6.576 -9.445 1.00 4.22 H new TER 2498 LYS A 155