USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=37 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 70 LYS NZ :NH3+ 178:sc= 1.16 (180deg=1.16) USER MOD Set 1.2: A 76 THR OG1 : rot -79:sc= 0.961 USER MOD Set 2.1: A 63 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-3.6!) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.0118 USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= -3.61! C(o=-10!,f=-3.6!) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 143:sc= 0.146 (180deg=-0.145) USER MOD Set 3.3: A 84 ASN : amide:sc= -0.151 K(o=-3.6,f=-7.4!) USER MOD Single : A 1 ASN : amide:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 1 ASN N :NH3+ -162:sc= 1.13 (180deg=0.888) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -2.74 F(o=-4.2!,f=-2.7) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0.292 (180deg=-0.123) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -81:sc= -0.198 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0377 (180deg=-0.339) USER MOD Single : A 22 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 13:sc= 0.929 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 1.34 (180deg=1.13) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= -1.78! (180deg=-2.73!) USER MOD Single : A 54 TYR OH : rot -151:sc= 1.69 USER MOD Single : A 59 GLN : amide:sc= -5.13! C(o=-5.1!,f=-8.5!) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0449 F(o=-1.1!,f=-0.045) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0679 USER MOD Single : A 95 SER OG : rot -108:sc= 1.22 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 :FLIP amide:sc=-0.00998 F(o=-0.99,f=-0.01) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -163:sc= 0.335 (180deg=-0.0924) USER MOD Single : A 109 THR OG1 : rot -1:sc= 0.294 USER MOD Single : A 115 HIS : +bothHN:sc= -6.85! C(o=-6.9!,f=-8.5!) USER MOD Single : A 116 THR OG1 : rot 179:sc= 1.31 USER MOD Single : A 117 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=-0.013) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.543 K(o=0.54,f=-3.7!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -5.67! C(o=-5.7!,f=-10!) USER MOD Single : A 133 MET CE :methyl -160:sc= -0.142 (180deg=-0.723) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.15) USER MOD Single : A 143 SER OG : rot 47:sc= -1.68! USER MOD Single : A 145 GLN : amide:sc= -0.561! C(o=-0.56!,f=-1.7!) USER MOD Single : A 147 LYS NZ :NH3+ -163:sc= 2.56 (180deg=2.32) USER MOD Single : A 154 LYS NZ :NH3+ -166:sc= 0.215 (180deg=0.108) USER MOD Single : A 155 LYS NZ :NH3+ 168:sc= 1.35 (180deg=0.887) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.868 8.602 -7.848 1.00 1.65 N ATOM 2 CA ASN A 1 5.980 9.799 -6.982 1.00 1.32 C ATOM 3 C ASN A 1 7.279 9.743 -6.197 1.00 1.24 C ATOM 4 O ASN A 1 7.696 8.663 -5.786 1.00 1.61 O ATOM 5 CB ASN A 1 4.809 9.886 -5.997 1.00 1.23 C ATOM 6 CG ASN A 1 3.453 9.791 -6.662 1.00 1.26 C ATOM 7 OD1 ASN A 1 2.959 10.762 -7.231 1.00 1.66 O ATOM 8 ND2 ASN A 1 2.812 8.636 -6.548 1.00 1.42 N ATOM 0 H1 ASN A 1 5.161 8.776 -8.591 1.00 1.65 H new ATOM 0 H2 ASN A 1 6.790 8.403 -8.287 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.574 7.785 -7.275 1.00 1.65 H new ATOM 0 HA ASN A 1 5.963 10.679 -7.624 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.902 9.086 -5.263 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.872 10.828 -5.452 1.00 1.23 H new ATOM 0 HD21 ASN A 1 1.876 8.531 -6.940 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.255 7.852 -6.069 1.00 1.42 H new ATOM 17 N TYR A 2 7.910 10.905 -5.997 1.00 1.16 N ATOM 18 CA TYR A 2 9.137 11.008 -5.198 1.00 1.12 C ATOM 19 C TYR A 2 9.713 12.414 -5.294 1.00 1.22 C ATOM 20 O TYR A 2 10.408 12.867 -4.388 1.00 1.20 O ATOM 21 CB TYR A 2 10.205 9.986 -5.635 1.00 1.31 C ATOM 22 CG TYR A 2 10.827 10.238 -6.997 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.853 11.159 -7.160 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.366 9.569 -8.124 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.397 11.407 -8.406 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.909 9.806 -9.369 1.00 2.43 C ATOM 27 CZ TYR A 2 12.012 10.673 -9.475 1.00 2.97 C ATOM 28 OH TYR A 2 12.445 10.975 -10.753 1.00 3.73 O ATOM 0 H TYR A 2 7.589 11.794 -6.380 1.00 1.16 H new ATOM 0 HA TYR A 2 8.864 10.788 -4.166 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.999 9.973 -4.888 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.754 8.993 -5.638 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.232 11.690 -6.299 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.567 8.849 -8.023 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.132 12.189 -8.527 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.495 9.334 -10.248 1.00 2.43 H new ATOM 0 HH TYR A 2 12.062 10.334 -11.388 1.00 3.73 H new ATOM 38 N ASP A 3 9.417 13.095 -6.400 1.00 1.44 N ATOM 39 CA ASP A 3 9.991 14.414 -6.670 1.00 1.65 C ATOM 40 C ASP A 3 9.620 15.420 -5.575 1.00 1.53 C ATOM 41 O ASP A 3 10.509 16.024 -4.980 1.00 1.62 O ATOM 42 CB ASP A 3 9.563 14.920 -8.052 1.00 1.99 C ATOM 43 CG ASP A 3 10.201 16.244 -8.423 1.00 2.44 C ATOM 44 OD1 ASP A 3 11.253 16.234 -9.092 1.00 2.78 O ATOM 45 OD2 ASP A 3 9.641 17.303 -8.072 1.00 2.63 O ATOM 0 H ASP A 3 8.783 12.756 -7.124 1.00 1.44 H new ATOM 0 HA ASP A 3 11.076 14.313 -6.667 1.00 1.65 H new ATOM 0 HB2 ASP A 3 9.825 14.174 -8.803 1.00 1.99 H new ATOM 0 HB3 ASP A 3 8.478 15.027 -8.074 1.00 1.99 H new ATOM 50 N PRO A 4 8.316 15.643 -5.298 1.00 1.46 N ATOM 51 CA PRO A 4 7.888 16.436 -4.163 1.00 1.45 C ATOM 52 C PRO A 4 7.547 15.565 -2.953 1.00 1.27 C ATOM 53 O PRO A 4 8.212 15.622 -1.918 1.00 1.34 O ATOM 54 CB PRO A 4 6.636 17.145 -4.693 1.00 1.61 C ATOM 55 CG PRO A 4 6.200 16.374 -5.912 1.00 1.63 C ATOM 56 CD PRO A 4 7.156 15.219 -6.085 1.00 1.52 C ATOM 0 HA PRO A 4 8.663 17.117 -3.811 1.00 1.45 H new ATOM 0 HB2 PRO A 4 5.849 17.159 -3.939 1.00 1.61 H new ATOM 0 HB3 PRO A 4 6.854 18.183 -4.946 1.00 1.61 H new ATOM 0 HG2 PRO A 4 5.179 16.012 -5.791 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.209 17.014 -6.794 1.00 1.63 H new ATOM 0 HD2 PRO A 4 6.734 14.285 -5.714 1.00 1.52 H new ATOM 0 HD3 PRO A 4 7.413 15.059 -7.132 1.00 1.52 H new ATOM 64 N PHE A 5 6.512 14.749 -3.112 1.00 1.17 N ATOM 65 CA PHE A 5 6.037 13.852 -2.078 1.00 1.11 C ATOM 66 C PHE A 5 5.442 12.639 -2.760 1.00 0.94 C ATOM 67 O PHE A 5 5.022 12.723 -3.917 1.00 1.01 O ATOM 68 CB PHE A 5 4.941 14.496 -1.215 1.00 1.40 C ATOM 69 CG PHE A 5 5.325 15.783 -0.548 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.951 16.996 -1.101 1.00 1.75 C ATOM 71 CD2 PHE A 5 6.051 15.782 0.630 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.292 18.185 -0.492 1.00 2.39 C ATOM 73 CE2 PHE A 5 6.396 16.968 1.244 1.00 3.21 C ATOM 74 CZ PHE A 5 6.017 18.171 0.681 1.00 3.19 C ATOM 0 H PHE A 5 5.975 14.695 -3.977 1.00 1.17 H new ATOM 0 HA PHE A 5 6.875 13.597 -1.429 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.068 14.677 -1.841 1.00 1.40 H new ATOM 0 HB3 PHE A 5 4.640 13.783 -0.447 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.385 17.011 -2.021 1.00 1.75 H new ATOM 0 HD2 PHE A 5 6.350 14.844 1.073 1.00 2.34 H new ATOM 0 HE1 PHE A 5 4.992 19.125 -0.932 1.00 2.39 H new ATOM 0 HE2 PHE A 5 6.962 16.956 2.164 1.00 3.21 H new ATOM 0 HZ PHE A 5 6.288 19.100 1.159 1.00 3.19 H new ATOM 84 N VAL A 6 5.416 11.519 -2.076 1.00 0.85 N ATOM 85 CA VAL A 6 4.677 10.378 -2.574 1.00 0.79 C ATOM 86 C VAL A 6 3.221 10.479 -2.144 1.00 0.69 C ATOM 87 O VAL A 6 2.894 10.300 -0.973 1.00 0.77 O ATOM 88 CB VAL A 6 5.287 9.054 -2.083 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.322 7.897 -2.281 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.605 8.801 -2.789 1.00 1.41 C ATOM 0 H VAL A 6 5.890 11.372 -1.185 1.00 0.85 H new ATOM 0 HA VAL A 6 4.734 10.385 -3.662 1.00 0.79 H new ATOM 0 HB VAL A 6 5.477 9.133 -1.013 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.781 6.975 -1.925 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.407 8.087 -1.720 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.085 7.798 -3.340 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.032 7.862 -2.437 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.436 8.742 -3.864 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.295 9.617 -2.574 1.00 1.41 H new ATOM 100 N ARG A 7 2.347 10.803 -3.081 1.00 0.64 N ATOM 101 CA ARG A 7 0.944 10.938 -2.753 1.00 0.56 C ATOM 102 C ARG A 7 0.117 9.839 -3.393 1.00 0.54 C ATOM 103 O ARG A 7 0.286 9.498 -4.564 1.00 0.64 O ATOM 104 CB ARG A 7 0.398 12.305 -3.162 1.00 0.57 C ATOM 105 CG ARG A 7 -1.082 12.477 -2.830 1.00 0.57 C ATOM 106 CD ARG A 7 -1.594 13.856 -3.211 1.00 0.71 C ATOM 107 NE ARG A 7 -1.138 14.887 -2.280 1.00 1.61 N ATOM 108 CZ ARG A 7 -0.924 16.156 -2.620 1.00 2.25 C ATOM 109 NH1 ARG A 7 -1.090 16.549 -3.877 1.00 2.26 N ATOM 110 NH2 ARG A 7 -0.542 17.035 -1.699 1.00 3.37 N ATOM 0 H ARG A 7 2.581 10.975 -4.059 1.00 0.64 H new ATOM 0 HA ARG A 7 0.865 10.847 -1.670 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.971 13.085 -2.660 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.543 12.443 -4.233 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.662 11.717 -3.354 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.235 12.315 -1.763 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.257 14.102 -4.218 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -2.684 13.844 -3.234 1.00 0.71 H new ATOM 0 HE ARG A 7 -0.974 14.617 -1.310 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -1.383 15.878 -4.587 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -0.925 17.522 -4.133 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -0.413 16.737 -0.732 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -0.378 18.008 -1.959 1.00 3.37 H new ATOM 124 N HIS A 8 -0.772 9.290 -2.597 1.00 0.47 N ATOM 125 CA HIS A 8 -1.740 8.313 -3.062 1.00 0.46 C ATOM 126 C HIS A 8 -3.104 8.974 -3.053 1.00 0.39 C ATOM 127 O HIS A 8 -3.470 9.593 -2.070 1.00 0.39 O ATOM 128 CB HIS A 8 -1.671 7.108 -2.110 1.00 0.56 C ATOM 129 CG HIS A 8 -2.777 6.086 -2.161 1.00 0.45 C ATOM 130 ND1 HIS A 8 -3.858 5.940 -2.962 1.00 0.46 N flip ATOM 131 CD2 HIS A 8 -2.842 5.046 -1.254 1.00 0.79 C flip ATOM 132 CE1 HIS A 8 -4.544 4.831 -2.525 1.00 0.41 C flip ATOM 133 NE2 HIS A 8 -3.909 4.314 -1.492 1.00 0.76 N flip ATOM 0 H HIS A 8 -0.847 9.507 -1.603 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.538 7.965 -4.075 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.731 6.589 -2.300 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -1.622 7.493 -1.091 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -2.125 4.862 -0.468 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -5.455 4.446 -2.958 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -4.196 3.488 -0.967 1.00 0.76 H new ATOM 142 N SER A 9 -3.850 8.835 -4.131 1.00 0.42 N ATOM 143 CA SER A 9 -5.161 9.450 -4.218 1.00 0.40 C ATOM 144 C SER A 9 -6.094 8.567 -5.023 1.00 0.41 C ATOM 145 O SER A 9 -5.892 8.368 -6.221 1.00 0.53 O ATOM 146 CB SER A 9 -5.057 10.841 -4.857 1.00 0.52 C ATOM 147 OG SER A 9 -6.330 11.450 -4.988 1.00 1.28 O ATOM 0 H SER A 9 -3.573 8.304 -4.956 1.00 0.42 H new ATOM 0 HA SER A 9 -5.565 9.563 -3.212 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.411 11.474 -4.249 1.00 0.52 H new ATOM 0 HB3 SER A 9 -4.590 10.758 -5.838 1.00 0.52 H new ATOM 0 HG SER A 9 -6.229 12.335 -5.397 1.00 1.28 H new ATOM 153 N VAL A 10 -7.089 8.000 -4.359 1.00 0.35 N ATOM 154 CA VAL A 10 -8.078 7.188 -5.052 1.00 0.36 C ATOM 155 C VAL A 10 -9.476 7.478 -4.531 1.00 0.32 C ATOM 156 O VAL A 10 -9.677 7.675 -3.328 1.00 0.32 O ATOM 157 CB VAL A 10 -7.802 5.662 -4.957 1.00 0.45 C ATOM 158 CG1 VAL A 10 -6.386 5.328 -5.378 1.00 1.27 C ATOM 159 CG2 VAL A 10 -8.089 5.111 -3.576 1.00 1.18 C ATOM 0 H VAL A 10 -7.233 8.085 -3.353 1.00 0.35 H new ATOM 0 HA VAL A 10 -8.003 7.467 -6.103 1.00 0.36 H new ATOM 0 HB VAL A 10 -8.490 5.180 -5.651 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -6.227 4.253 -5.299 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -6.229 5.644 -6.409 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -5.681 5.847 -4.729 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -7.881 4.041 -3.561 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.456 5.614 -2.845 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -9.137 5.280 -3.327 1.00 1.18 H new ATOM 169 N THR A 11 -10.420 7.541 -5.447 1.00 0.35 N ATOM 170 CA THR A 11 -11.816 7.685 -5.098 1.00 0.34 C ATOM 171 C THR A 11 -12.471 6.311 -4.999 1.00 0.33 C ATOM 172 O THR A 11 -12.556 5.571 -5.982 1.00 0.43 O ATOM 173 CB THR A 11 -12.557 8.538 -6.145 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.758 9.678 -6.488 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.903 9.003 -5.613 1.00 0.51 C ATOM 0 H THR A 11 -10.241 7.494 -6.450 1.00 0.35 H new ATOM 0 HA THR A 11 -11.878 8.188 -4.133 1.00 0.34 H new ATOM 0 HB THR A 11 -12.728 7.925 -7.030 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.229 10.219 -7.155 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.406 9.603 -6.371 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.517 8.136 -5.370 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.752 9.604 -4.716 1.00 0.51 H new ATOM 183 N VAL A 12 -12.916 5.981 -3.806 1.00 0.29 N ATOM 184 CA VAL A 12 -13.543 4.703 -3.528 1.00 0.35 C ATOM 185 C VAL A 12 -15.063 4.842 -3.544 1.00 0.32 C ATOM 186 O VAL A 12 -15.622 5.680 -2.836 1.00 0.36 O ATOM 187 CB VAL A 12 -13.077 4.189 -2.150 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.979 3.090 -1.615 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.641 3.708 -2.240 1.00 0.81 C ATOM 0 H VAL A 12 -12.853 6.595 -2.994 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.251 3.990 -4.299 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.137 5.019 -1.446 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.612 2.759 -0.643 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.994 3.472 -1.509 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.978 2.249 -2.308 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.317 3.346 -1.264 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.573 2.900 -2.968 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -11.000 4.532 -2.553 1.00 0.81 H new ATOM 199 N LYS A 13 -15.723 4.023 -4.350 1.00 0.34 N ATOM 200 CA LYS A 13 -17.178 4.073 -4.471 1.00 0.38 C ATOM 201 C LYS A 13 -17.848 2.963 -3.660 1.00 0.31 C ATOM 202 O LYS A 13 -18.888 2.432 -4.052 1.00 0.37 O ATOM 203 CB LYS A 13 -17.627 4.003 -5.943 1.00 0.58 C ATOM 204 CG LYS A 13 -16.759 3.135 -6.850 1.00 0.68 C ATOM 205 CD LYS A 13 -15.628 3.948 -7.467 1.00 0.97 C ATOM 206 CE LYS A 13 -14.945 3.199 -8.598 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.863 2.979 -9.748 1.00 0.98 N ATOM 0 H LYS A 13 -15.276 3.314 -4.932 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.495 5.033 -4.063 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.649 3.625 -5.976 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.648 5.015 -6.348 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.344 2.306 -6.277 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.373 2.702 -7.640 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -16.022 4.892 -7.843 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.895 4.192 -6.698 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -14.073 3.761 -8.932 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.584 2.238 -8.232 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -15.395 2.378 -10.456 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -16.730 2.510 -9.415 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -16.107 3.894 -10.177 1.00 0.98 H new ATOM 221 N ALA A 14 -17.265 2.634 -2.516 1.00 0.29 N ATOM 222 CA ALA A 14 -17.851 1.642 -1.623 1.00 0.30 C ATOM 223 C ALA A 14 -17.508 1.946 -0.164 1.00 0.28 C ATOM 224 O ALA A 14 -17.465 1.042 0.675 1.00 0.31 O ATOM 225 CB ALA A 14 -17.395 0.244 -2.017 1.00 0.36 C ATOM 0 H ALA A 14 -16.389 3.038 -2.184 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.936 1.688 -1.720 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.840 -0.487 -1.342 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.710 0.033 -3.039 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.309 0.184 -1.952 1.00 0.36 H new ATOM 231 N ASP A 15 -17.270 3.230 0.123 1.00 0.28 N ATOM 232 CA ASP A 15 -17.049 3.725 1.495 1.00 0.31 C ATOM 233 C ASP A 15 -15.676 3.315 2.066 1.00 0.28 C ATOM 234 O ASP A 15 -14.957 2.483 1.497 1.00 0.29 O ATOM 235 CB ASP A 15 -18.190 3.253 2.418 1.00 0.39 C ATOM 236 CG ASP A 15 -18.079 3.789 3.833 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.620 3.046 4.723 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.467 4.953 4.060 1.00 0.76 O ATOM 0 H ASP A 15 -17.224 3.960 -0.588 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.049 4.814 1.448 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.144 3.565 1.993 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.195 2.163 2.449 1.00 0.39 H new ATOM 243 N ARG A 16 -15.332 3.919 3.206 1.00 0.28 N ATOM 244 CA ARG A 16 -14.035 3.755 3.851 1.00 0.27 C ATOM 245 C ARG A 16 -13.821 2.311 4.286 1.00 0.28 C ATOM 246 O ARG A 16 -12.683 1.843 4.370 1.00 0.28 O ATOM 247 CB ARG A 16 -13.948 4.694 5.061 1.00 0.29 C ATOM 248 CG ARG A 16 -12.535 5.068 5.454 1.00 0.28 C ATOM 249 CD ARG A 16 -12.471 6.472 6.042 1.00 0.40 C ATOM 250 NE ARG A 16 -13.246 6.616 7.273 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.886 7.421 8.274 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.806 8.180 8.150 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.620 7.493 9.380 1.00 1.88 N ATOM 0 H ARG A 16 -15.959 4.545 3.712 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.252 4.008 3.136 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.505 5.605 4.841 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.436 4.219 5.912 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.157 4.350 6.182 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.886 5.008 4.581 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.431 6.728 6.243 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.838 7.185 5.304 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.105 6.074 7.371 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.255 8.147 7.292 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.526 8.797 8.912 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.466 6.930 9.468 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.337 8.111 10.140 1.00 1.88 H new ATOM 267 N LYS A 17 -14.922 1.621 4.553 1.00 0.33 N ATOM 268 CA LYS A 17 -14.892 0.211 4.928 1.00 0.39 C ATOM 269 C LYS A 17 -14.137 -0.623 3.898 1.00 0.35 C ATOM 270 O LYS A 17 -13.197 -1.344 4.236 1.00 0.37 O ATOM 271 CB LYS A 17 -16.320 -0.313 5.066 1.00 0.53 C ATOM 272 CG LYS A 17 -17.062 0.235 6.273 1.00 1.34 C ATOM 273 CD LYS A 17 -18.568 0.222 6.055 1.00 1.70 C ATOM 274 CE LYS A 17 -19.061 -1.133 5.572 1.00 2.46 C ATOM 275 NZ LYS A 17 -20.511 -1.110 5.240 1.00 3.05 N ATOM 0 H LYS A 17 -15.860 2.021 4.516 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.371 0.125 5.881 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.878 -0.062 4.164 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.293 -1.401 5.131 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.816 -0.359 7.153 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.731 1.254 6.473 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -19.072 0.480 6.987 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.836 0.986 5.326 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.492 -1.434 4.692 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.877 -1.882 6.342 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.808 -2.052 4.915 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -21.057 -0.848 6.086 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.684 -0.414 4.487 1.00 3.05 H new ATOM 289 N THR A 18 -14.535 -0.506 2.639 1.00 0.35 N ATOM 290 CA THR A 18 -13.946 -1.313 1.583 1.00 0.36 C ATOM 291 C THR A 18 -12.574 -0.791 1.194 1.00 0.33 C ATOM 292 O THR A 18 -11.692 -1.567 0.828 1.00 0.37 O ATOM 293 CB THR A 18 -14.837 -1.344 0.334 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.125 -0.005 -0.073 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.134 -2.095 0.603 1.00 0.80 C ATOM 0 H THR A 18 -15.261 0.138 2.326 1.00 0.35 H new ATOM 0 HA THR A 18 -13.851 -2.324 1.979 1.00 0.36 H new ATOM 0 HB THR A 18 -14.305 -1.867 -0.461 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.858 0.352 0.471 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.745 -2.101 -0.300 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.907 -3.121 0.894 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.680 -1.602 1.408 1.00 0.80 H new ATOM 303 N ALA A 19 -12.396 0.525 1.263 1.00 0.29 N ATOM 304 CA ALA A 19 -11.111 1.133 0.944 1.00 0.29 C ATOM 305 C ALA A 19 -10.020 0.614 1.876 1.00 0.28 C ATOM 306 O ALA A 19 -8.953 0.195 1.426 1.00 0.32 O ATOM 307 CB ALA A 19 -11.205 2.650 1.007 1.00 0.31 C ATOM 0 H ALA A 19 -13.122 1.187 1.536 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.843 0.853 -0.075 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.235 3.085 0.766 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.948 2.999 0.289 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.500 2.955 2.011 1.00 0.31 H new ATOM 313 N PHE A 20 -10.302 0.619 3.174 1.00 0.25 N ATOM 314 CA PHE A 20 -9.355 0.119 4.161 1.00 0.26 C ATOM 315 C PHE A 20 -9.206 -1.395 4.041 1.00 0.31 C ATOM 316 O PHE A 20 -8.125 -1.943 4.263 1.00 0.33 O ATOM 317 CB PHE A 20 -9.806 0.514 5.570 1.00 0.28 C ATOM 318 CG PHE A 20 -9.030 -0.140 6.677 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.774 0.325 7.027 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.560 -1.215 7.373 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.062 -0.268 8.051 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.852 -1.812 8.396 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.600 -1.339 8.735 1.00 0.38 C ATOM 0 H PHE A 20 -11.178 0.964 3.566 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.380 0.569 3.972 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.723 1.596 5.675 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.860 0.263 5.684 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.346 1.161 6.493 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.539 -1.590 7.112 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.084 0.106 8.316 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.277 -2.648 8.931 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.043 -1.806 9.534 1.00 0.38 H new ATOM 333 N LYS A 21 -10.293 -2.067 3.682 1.00 0.35 N ATOM 334 CA LYS A 21 -10.254 -3.505 3.454 1.00 0.42 C ATOM 335 C LYS A 21 -9.295 -3.832 2.326 1.00 0.44 C ATOM 336 O LYS A 21 -8.331 -4.566 2.510 1.00 0.49 O ATOM 337 CB LYS A 21 -11.646 -4.016 3.076 1.00 0.49 C ATOM 338 CG LYS A 21 -11.673 -5.487 2.675 1.00 0.64 C ATOM 339 CD LYS A 21 -11.383 -6.402 3.849 1.00 1.24 C ATOM 340 CE LYS A 21 -12.537 -6.425 4.836 1.00 1.79 C ATOM 341 NZ LYS A 21 -13.763 -7.015 4.239 1.00 2.39 N ATOM 0 H LYS A 21 -11.209 -1.641 3.543 1.00 0.35 H new ATOM 0 HA LYS A 21 -9.919 -3.987 4.373 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.319 -3.867 3.920 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.031 -3.417 2.251 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -12.650 -5.731 2.258 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -10.938 -5.662 1.889 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -11.193 -7.412 3.486 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -10.477 -6.070 4.355 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -12.250 -6.998 5.717 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.749 -5.410 5.171 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -14.418 -7.294 4.997 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -14.223 -6.313 3.625 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -13.507 -7.852 3.677 1.00 2.39 H new ATOM 355 N THR A 22 -9.545 -3.212 1.189 1.00 0.43 N ATOM 356 CA THR A 22 -8.808 -3.481 -0.040 1.00 0.48 C ATOM 357 C THR A 22 -7.347 -3.047 0.064 1.00 0.49 C ATOM 358 O THR A 22 -6.482 -3.558 -0.648 1.00 0.68 O ATOM 359 CB THR A 22 -9.492 -2.768 -1.225 1.00 0.48 C ATOM 360 OG1 THR A 22 -10.878 -3.130 -1.257 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.852 -3.131 -2.559 1.00 0.58 C ATOM 0 H THR A 22 -10.270 -2.502 1.087 1.00 0.43 H new ATOM 0 HA THR A 22 -8.817 -4.558 -0.205 1.00 0.48 H new ATOM 0 HB THR A 22 -9.375 -1.694 -1.079 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.372 -2.592 -0.603 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.366 -2.606 -3.364 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.801 -2.841 -2.549 1.00 0.58 H new ATOM 0 HG23 THR A 22 -8.930 -4.206 -2.719 1.00 0.58 H new ATOM 369 N PHE A 23 -7.071 -2.107 0.951 1.00 0.37 N ATOM 370 CA PHE A 23 -5.714 -1.623 1.120 1.00 0.38 C ATOM 371 C PHE A 23 -4.940 -2.469 2.132 1.00 0.38 C ATOM 372 O PHE A 23 -3.746 -2.713 1.955 1.00 0.43 O ATOM 373 CB PHE A 23 -5.723 -0.153 1.555 1.00 0.37 C ATOM 374 CG PHE A 23 -4.356 0.467 1.611 1.00 0.39 C ATOM 375 CD1 PHE A 23 -3.746 0.946 0.458 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.677 0.567 2.815 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.488 1.512 0.512 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.420 1.133 2.871 1.00 0.45 C ATOM 379 CZ PHE A 23 -1.824 1.604 1.718 1.00 0.48 C ATOM 0 H PHE A 23 -7.762 -1.668 1.560 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.209 -1.707 0.158 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.343 0.418 0.864 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.188 -0.077 2.538 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.261 0.875 -0.489 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.137 0.198 3.720 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.024 1.883 -0.390 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.903 1.208 3.816 1.00 0.45 H new ATOM 0 HZ PHE A 23 -0.839 2.044 1.760 1.00 0.48 H new ATOM 389 N LEU A 24 -5.608 -2.919 3.192 1.00 0.35 N ATOM 390 CA LEU A 24 -4.896 -3.589 4.275 1.00 0.37 C ATOM 391 C LEU A 24 -5.364 -5.027 4.516 1.00 0.39 C ATOM 392 O LEU A 24 -4.555 -5.952 4.504 1.00 0.48 O ATOM 393 CB LEU A 24 -5.021 -2.786 5.571 1.00 0.40 C ATOM 394 CG LEU A 24 -4.026 -3.191 6.655 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.609 -2.901 6.197 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.317 -2.470 7.958 1.00 0.44 C ATOM 0 H LEU A 24 -6.616 -2.835 3.323 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.853 -3.643 3.962 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -4.885 -1.728 5.345 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.033 -2.901 5.960 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.130 -4.262 6.831 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.907 -3.194 6.978 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.397 -3.465 5.289 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.503 -1.835 5.995 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.593 -2.777 8.713 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.245 -1.394 7.802 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.322 -2.721 8.296 1.00 0.44 H new ATOM 408 N GLU A 25 -6.660 -5.224 4.740 1.00 0.40 N ATOM 409 CA GLU A 25 -7.151 -6.524 5.202 1.00 0.46 C ATOM 410 C GLU A 25 -7.238 -7.512 4.044 1.00 0.54 C ATOM 411 O GLU A 25 -7.169 -8.725 4.231 1.00 1.01 O ATOM 412 CB GLU A 25 -8.515 -6.381 5.880 1.00 0.51 C ATOM 413 CG GLU A 25 -8.544 -5.332 6.981 1.00 0.66 C ATOM 414 CD GLU A 25 -9.726 -5.494 7.914 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.516 -5.492 9.144 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.865 -5.643 7.429 1.00 1.18 O ATOM 0 H GLU A 25 -7.381 -4.514 4.612 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.441 -6.910 5.933 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.260 -6.125 5.127 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.805 -7.344 6.300 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.621 -5.391 7.558 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.575 -4.340 6.531 1.00 0.66 H new ATOM 423 N GLY A 26 -7.373 -6.965 2.859 1.00 0.37 N ATOM 424 CA GLY A 26 -7.387 -7.734 1.654 1.00 0.45 C ATOM 425 C GLY A 26 -6.262 -7.262 0.790 1.00 0.48 C ATOM 426 O GLY A 26 -6.374 -6.259 0.110 1.00 0.83 O ATOM 0 H GLY A 26 -7.477 -5.961 2.711 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.276 -8.795 1.878 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.340 -7.615 1.138 1.00 0.45 H new ATOM 430 N PHE A 27 -5.148 -7.923 0.903 1.00 0.42 N ATOM 431 CA PHE A 27 -3.960 -7.521 0.181 1.00 0.44 C ATOM 432 C PHE A 27 -3.815 -8.315 -1.131 1.00 0.47 C ATOM 433 O PHE A 27 -3.905 -7.732 -2.213 1.00 0.53 O ATOM 434 CB PHE A 27 -2.732 -7.670 1.093 1.00 0.48 C ATOM 435 CG PHE A 27 -1.494 -6.985 0.589 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.487 -5.620 0.361 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.334 -7.708 0.349 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.347 -4.985 -0.094 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.807 -7.078 -0.109 1.00 0.74 C ATOM 440 CZ PHE A 27 0.794 -5.720 -0.356 1.00 0.71 C ATOM 0 H PHE A 27 -5.029 -8.749 1.490 1.00 0.42 H new ATOM 0 HA PHE A 27 -4.045 -6.472 -0.103 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.976 -7.272 2.078 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.518 -8.731 1.222 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.383 -5.044 0.541 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.323 -8.774 0.522 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.348 -3.916 -0.245 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.709 -7.648 -0.274 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.673 -5.233 -0.753 1.00 0.71 H new ATOM 450 N PRO A 28 -3.631 -9.655 -1.074 1.00 0.49 N ATOM 451 CA PRO A 28 -3.362 -10.459 -2.268 1.00 0.57 C ATOM 452 C PRO A 28 -4.599 -11.135 -2.878 1.00 0.59 C ATOM 453 O PRO A 28 -4.506 -12.262 -3.369 1.00 0.76 O ATOM 454 CB PRO A 28 -2.435 -11.522 -1.694 1.00 0.73 C ATOM 455 CG PRO A 28 -2.987 -11.794 -0.334 1.00 0.74 C ATOM 456 CD PRO A 28 -3.625 -10.508 0.138 1.00 0.52 C ATOM 0 HA PRO A 28 -2.971 -9.853 -3.086 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.431 -12.422 -2.309 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.406 -11.167 -1.642 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -3.720 -12.600 -0.367 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.198 -12.108 0.349 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.634 -10.676 0.515 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.055 -10.051 0.947 1.00 0.52 H new ATOM 464 N GLU A 29 -5.749 -10.468 -2.876 1.00 0.54 N ATOM 465 CA GLU A 29 -6.969 -11.116 -3.365 1.00 0.67 C ATOM 466 C GLU A 29 -7.699 -10.306 -4.441 1.00 0.69 C ATOM 467 O GLU A 29 -8.799 -10.675 -4.858 1.00 0.85 O ATOM 468 CB GLU A 29 -7.917 -11.398 -2.204 1.00 0.85 C ATOM 469 CG GLU A 29 -8.327 -10.156 -1.435 1.00 0.90 C ATOM 470 CD GLU A 29 -9.431 -10.446 -0.440 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.127 -10.604 0.762 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.611 -10.492 -0.849 1.00 1.49 O ATOM 0 H GLU A 29 -5.866 -9.508 -2.552 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.654 -12.049 -3.831 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.811 -11.888 -2.588 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.439 -12.098 -1.518 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.462 -9.752 -0.909 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.661 -9.390 -2.135 1.00 0.90 H new ATOM 479 N TRP A 30 -7.116 -9.203 -4.877 1.00 0.64 N ATOM 480 CA TRP A 30 -7.705 -8.413 -5.963 1.00 0.81 C ATOM 481 C TRP A 30 -7.018 -8.741 -7.287 1.00 0.66 C ATOM 482 O TRP A 30 -6.370 -9.776 -7.406 1.00 0.74 O ATOM 483 CB TRP A 30 -7.591 -6.929 -5.644 1.00 1.07 C ATOM 484 CG TRP A 30 -7.855 -6.642 -4.207 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.983 -6.093 -3.327 1.00 0.50 C ATOM 486 CD2 TRP A 30 -9.052 -6.927 -3.466 1.00 2.35 C ATOM 487 NE1 TRP A 30 -7.561 -6.001 -2.096 1.00 0.80 N ATOM 488 CE2 TRP A 30 -8.829 -6.504 -2.149 1.00 2.05 C ATOM 489 CE3 TRP A 30 -10.291 -7.488 -3.785 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -9.790 -6.626 -1.149 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -11.246 -7.610 -2.794 1.00 4.62 C ATOM 492 CH2 TRP A 30 -10.992 -7.178 -1.488 1.00 4.29 C ATOM 0 H TRP A 30 -6.243 -8.830 -4.505 1.00 0.64 H new ATOM 0 HA TRP A 30 -8.761 -8.665 -6.058 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -6.593 -6.578 -5.906 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -8.296 -6.371 -6.260 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -5.979 -5.775 -3.566 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.115 -5.616 -1.264 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -10.499 -7.821 -4.791 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -9.592 -6.295 -0.140 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -12.205 -8.046 -3.032 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -11.759 -7.283 -0.735 1.00 4.29 H new ATOM 503 N TRP A 31 -7.149 -7.862 -8.274 1.00 0.55 N ATOM 504 CA TRP A 31 -6.611 -8.133 -9.605 1.00 0.57 C ATOM 505 C TRP A 31 -5.239 -7.467 -9.907 1.00 0.60 C ATOM 506 O TRP A 31 -4.656 -7.781 -10.946 1.00 0.74 O ATOM 507 CB TRP A 31 -7.603 -7.678 -10.682 1.00 0.74 C ATOM 508 CG TRP A 31 -9.038 -7.971 -10.374 1.00 0.62 C ATOM 509 CD1 TRP A 31 -10.017 -7.052 -10.128 1.00 0.69 C ATOM 510 CD2 TRP A 31 -9.659 -9.257 -10.278 1.00 1.24 C ATOM 511 NE1 TRP A 31 -11.210 -7.687 -9.895 1.00 1.10 N ATOM 512 CE2 TRP A 31 -11.017 -9.041 -9.978 1.00 1.54 C ATOM 513 CE3 TRP A 31 -9.200 -10.569 -10.420 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.918 -10.089 -9.819 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -10.096 -11.606 -10.262 1.00 2.53 C ATOM 516 CH2 TRP A 31 -11.443 -11.362 -9.964 1.00 2.78 C ATOM 0 H TRP A 31 -7.619 -6.962 -8.181 1.00 0.55 H new ATOM 0 HA TRP A 31 -6.454 -9.211 -9.622 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -7.489 -6.604 -10.831 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -7.342 -8.160 -11.624 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.873 -5.982 -10.118 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -12.097 -7.226 -9.693 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -8.163 -10.768 -10.649 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.957 -9.903 -9.589 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.753 -12.624 -10.370 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -12.119 -12.196 -9.847 1.00 2.78 H new ATOM 527 N PRO A 32 -4.668 -6.545 -9.069 1.00 0.71 N ATOM 528 CA PRO A 32 -3.477 -5.796 -9.478 1.00 0.84 C ATOM 529 C PRO A 32 -2.176 -6.575 -9.282 1.00 0.85 C ATOM 530 O PRO A 32 -2.141 -7.798 -9.399 1.00 1.36 O ATOM 531 CB PRO A 32 -3.511 -4.582 -8.555 1.00 1.01 C ATOM 532 CG PRO A 32 -4.110 -5.089 -7.295 1.00 0.92 C ATOM 533 CD PRO A 32 -5.080 -6.169 -7.694 1.00 0.87 C ATOM 0 HA PRO A 32 -3.494 -5.560 -10.542 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -2.511 -4.184 -8.387 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -4.108 -3.776 -8.982 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -3.341 -5.483 -6.630 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.618 -4.289 -6.757 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -5.027 -7.021 -7.016 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -6.108 -5.808 -7.672 1.00 0.87 H new ATOM 541 N ASN A 33 -1.108 -5.838 -8.986 1.00 0.53 N ATOM 542 CA ASN A 33 0.220 -6.417 -8.795 1.00 0.57 C ATOM 543 C ASN A 33 0.235 -7.373 -7.603 1.00 0.67 C ATOM 544 O ASN A 33 1.059 -8.283 -7.536 1.00 0.72 O ATOM 545 CB ASN A 33 1.242 -5.295 -8.584 1.00 0.60 C ATOM 546 CG ASN A 33 2.672 -5.795 -8.491 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.116 -6.092 -7.283 1.00 1.51 O flip ATOM 548 ND2 ASN A 33 3.376 -5.892 -9.495 1.00 0.76 N flip ATOM 0 H ASN A 33 -1.138 -4.825 -8.872 1.00 0.53 H new ATOM 0 HA ASN A 33 0.483 -6.987 -9.686 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.166 -4.584 -9.407 1.00 0.60 H new ATOM 0 HB3 ASN A 33 0.994 -4.754 -7.671 1.00 0.60 H new ATOM 0 HD21 ASN A 33 2.995 -5.653 -10.410 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.341 -6.212 -9.412 1.00 0.76 H new ATOM 555 N ASN A 34 -0.705 -7.177 -6.681 1.00 0.85 N ATOM 556 CA ASN A 34 -0.789 -7.986 -5.463 1.00 1.03 C ATOM 557 C ASN A 34 -1.437 -9.337 -5.755 1.00 1.40 C ATOM 558 O ASN A 34 -1.949 -9.998 -4.857 1.00 1.74 O ATOM 559 CB ASN A 34 -1.611 -7.268 -4.381 1.00 1.07 C ATOM 560 CG ASN A 34 -1.149 -5.848 -4.103 1.00 1.16 C ATOM 561 OD1 ASN A 34 0.004 -5.493 -4.341 1.00 1.79 O ATOM 562 ND2 ASN A 34 -2.046 -5.030 -3.574 1.00 1.47 N ATOM 0 H ASN A 34 -1.426 -6.459 -6.754 1.00 0.85 H new ATOM 0 HA ASN A 34 0.229 -8.138 -5.103 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.657 -7.247 -4.687 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.561 -7.844 -3.457 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -1.790 -4.069 -3.350 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -2.993 -5.361 -3.391 1.00 1.47 H new ATOM 569 N PHE A 35 -1.416 -9.741 -7.011 1.00 1.51 N ATOM 570 CA PHE A 35 -2.055 -10.983 -7.421 1.00 1.98 C ATOM 571 C PHE A 35 -1.015 -11.956 -7.983 1.00 2.03 C ATOM 572 O PHE A 35 -1.339 -12.874 -8.738 1.00 2.51 O ATOM 573 CB PHE A 35 -3.148 -10.673 -8.452 1.00 2.40 C ATOM 574 CG PHE A 35 -4.109 -11.801 -8.708 1.00 2.92 C ATOM 575 CD1 PHE A 35 -4.478 -12.142 -9.999 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.632 -12.528 -7.650 1.00 3.49 C ATOM 577 CE1 PHE A 35 -5.356 -13.185 -10.230 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.509 -13.570 -7.876 1.00 4.27 C ATOM 579 CZ PHE A 35 -5.893 -13.873 -9.194 1.00 4.45 C ATOM 0 H PHE A 35 -0.964 -9.228 -7.768 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.518 -11.461 -6.558 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -3.712 -9.804 -8.114 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.673 -10.398 -9.394 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -4.076 -11.587 -10.834 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.350 -12.277 -6.638 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -5.615 -13.453 -11.244 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.896 -14.146 -7.049 1.00 4.27 H new ATOM 0 HZ PHE A 35 -6.616 -14.654 -9.380 1.00 4.45 H new ATOM 589 N ARG A 36 0.242 -11.757 -7.602 1.00 1.65 N ATOM 590 CA ARG A 36 1.322 -12.624 -8.059 1.00 1.75 C ATOM 591 C ARG A 36 1.964 -13.335 -6.869 1.00 1.59 C ATOM 592 O ARG A 36 2.066 -12.767 -5.783 1.00 1.48 O ATOM 593 CB ARG A 36 2.374 -11.817 -8.825 1.00 1.73 C ATOM 594 CG ARG A 36 1.800 -10.995 -9.976 1.00 1.84 C ATOM 595 CD ARG A 36 1.028 -11.857 -10.968 1.00 2.25 C ATOM 596 NE ARG A 36 1.877 -12.851 -11.619 1.00 2.72 N ATOM 597 CZ ARG A 36 1.417 -13.850 -12.374 1.00 3.34 C ATOM 598 NH1 ARG A 36 0.111 -14.015 -12.558 1.00 3.59 N ATOM 599 NH2 ARG A 36 2.271 -14.692 -12.937 1.00 4.14 N ATOM 0 H ARG A 36 0.538 -11.005 -6.980 1.00 1.65 H new ATOM 0 HA ARG A 36 0.904 -13.371 -8.733 1.00 1.75 H new ATOM 0 HB2 ARG A 36 2.882 -11.148 -8.131 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.127 -12.500 -9.218 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.141 -10.224 -9.577 1.00 1.84 H new ATOM 0 HG3 ARG A 36 2.611 -10.484 -10.495 1.00 1.84 H new ATOM 0 HD2 ARG A 36 0.213 -12.362 -10.449 1.00 2.25 H new ATOM 0 HD3 ARG A 36 0.575 -11.217 -11.726 1.00 2.25 H new ATOM 0 HE ARG A 36 2.886 -12.777 -11.488 1.00 2.72 H new ATOM 0 HH11 ARG A 36 -0.551 -13.374 -12.120 1.00 3.59 H new ATOM 0 HH12 ARG A 36 -0.229 -14.782 -13.137 1.00 3.59 H new ATOM 0 HH21 ARG A 36 3.274 -14.574 -12.792 1.00 4.14 H new ATOM 0 HH22 ARG A 36 1.926 -15.458 -13.515 1.00 4.14 H new ATOM 613 N THR A 37 2.428 -14.557 -7.075 1.00 1.75 N ATOM 614 CA THR A 37 2.916 -15.370 -5.971 1.00 1.72 C ATOM 615 C THR A 37 4.307 -14.912 -5.531 1.00 1.37 C ATOM 616 O THR A 37 5.162 -14.622 -6.368 1.00 1.37 O ATOM 617 CB THR A 37 2.959 -16.858 -6.355 1.00 2.19 C ATOM 618 OG1 THR A 37 1.739 -17.217 -7.018 1.00 2.53 O ATOM 619 CG2 THR A 37 3.145 -17.735 -5.123 1.00 2.68 C ATOM 0 H THR A 37 2.477 -15.006 -7.990 1.00 1.75 H new ATOM 0 HA THR A 37 2.222 -15.244 -5.140 1.00 1.72 H new ATOM 0 HB THR A 37 3.806 -17.017 -7.022 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.767 -18.165 -7.264 1.00 2.53 H new ATOM 0 HG21 THR A 37 3.172 -18.783 -5.423 1.00 2.68 H new ATOM 0 HG22 THR A 37 4.081 -17.475 -4.629 1.00 2.68 H new ATOM 0 HG23 THR A 37 2.315 -17.576 -4.435 1.00 2.68 H new ATOM 627 N THR A 38 4.495 -14.817 -4.208 1.00 1.24 N ATOM 628 CA THR A 38 5.753 -14.376 -3.583 1.00 1.07 C ATOM 629 C THR A 38 6.160 -12.973 -4.035 1.00 1.09 C ATOM 630 O THR A 38 7.290 -12.537 -3.819 1.00 1.38 O ATOM 631 CB THR A 38 6.929 -15.367 -3.799 1.00 1.16 C ATOM 632 OG1 THR A 38 7.176 -15.601 -5.192 1.00 1.42 O ATOM 633 CG2 THR A 38 6.649 -16.690 -3.100 1.00 1.37 C ATOM 0 H THR A 38 3.768 -15.047 -3.531 1.00 1.24 H new ATOM 0 HA THR A 38 5.543 -14.351 -2.514 1.00 1.07 H new ATOM 0 HB THR A 38 7.819 -14.911 -3.367 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.687 -14.941 -5.726 1.00 1.42 H new ATOM 0 HG21 THR A 38 7.484 -17.371 -3.263 1.00 1.37 H new ATOM 0 HG22 THR A 38 6.524 -16.517 -2.031 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.738 -17.130 -3.505 1.00 1.37 H new ATOM 641 N LYS A 39 5.223 -12.272 -4.644 1.00 0.96 N ATOM 642 CA LYS A 39 5.412 -10.885 -5.021 1.00 1.09 C ATOM 643 C LYS A 39 4.201 -10.086 -4.584 1.00 1.22 C ATOM 644 O LYS A 39 3.283 -9.871 -5.370 1.00 1.97 O ATOM 645 CB LYS A 39 5.607 -10.747 -6.528 1.00 1.15 C ATOM 646 CG LYS A 39 5.833 -9.313 -6.985 1.00 1.49 C ATOM 647 CD LYS A 39 5.724 -9.184 -8.494 1.00 1.66 C ATOM 648 CE LYS A 39 5.882 -7.743 -8.947 1.00 2.28 C ATOM 649 NZ LYS A 39 7.212 -7.182 -8.589 1.00 2.90 N ATOM 0 H LYS A 39 4.308 -12.649 -4.891 1.00 0.96 H new ATOM 0 HA LYS A 39 6.308 -10.506 -4.530 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.459 -11.355 -6.833 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.731 -11.148 -7.037 1.00 1.15 H new ATOM 0 HG2 LYS A 39 5.102 -8.659 -6.510 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.818 -8.978 -6.661 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.488 -9.800 -8.968 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.757 -9.565 -8.823 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.745 -7.687 -10.027 1.00 2.28 H new ATOM 0 HE3 LYS A 39 5.099 -7.134 -8.494 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 7.541 -6.555 -9.351 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 7.134 -6.640 -7.705 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 7.893 -7.958 -8.461 1.00 2.90 H new ATOM 663 N VAL A 40 4.186 -9.742 -3.297 1.00 1.04 N ATOM 664 CA VAL A 40 3.116 -8.957 -2.657 1.00 1.22 C ATOM 665 C VAL A 40 1.731 -9.577 -2.880 1.00 1.42 C ATOM 666 O VAL A 40 0.708 -8.930 -2.660 1.00 1.83 O ATOM 667 CB VAL A 40 3.119 -7.460 -3.088 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.514 -6.867 -2.970 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.570 -7.257 -4.491 1.00 1.40 C ATOM 0 H VAL A 40 4.931 -10.004 -2.651 1.00 1.04 H new ATOM 0 HA VAL A 40 3.334 -8.987 -1.589 1.00 1.22 H new ATOM 0 HB VAL A 40 2.452 -6.934 -2.404 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.492 -5.821 -3.276 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.852 -6.935 -1.936 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.200 -7.419 -3.613 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.595 -6.196 -4.741 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.179 -7.812 -5.204 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.542 -7.616 -4.535 1.00 1.40 H new ATOM 679 N GLY A 41 1.707 -10.846 -3.275 1.00 1.42 N ATOM 680 CA GLY A 41 0.453 -11.507 -3.544 1.00 1.82 C ATOM 681 C GLY A 41 0.464 -12.980 -3.191 1.00 1.67 C ATOM 682 O GLY A 41 -0.263 -13.775 -3.786 1.00 2.17 O ATOM 0 H GLY A 41 2.536 -11.424 -3.412 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.339 -11.012 -2.982 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.211 -11.396 -4.601 1.00 1.82 H new ATOM 686 N ALA A 42 1.303 -13.355 -2.238 1.00 1.12 N ATOM 687 CA ALA A 42 1.249 -14.698 -1.683 1.00 1.00 C ATOM 688 C ALA A 42 0.076 -14.771 -0.707 1.00 1.01 C ATOM 689 O ALA A 42 -0.473 -13.730 -0.356 1.00 1.09 O ATOM 690 CB ALA A 42 2.559 -15.047 -0.992 1.00 0.80 C ATOM 0 H ALA A 42 2.023 -12.755 -1.836 1.00 1.12 H new ATOM 0 HA ALA A 42 1.103 -15.424 -2.482 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.498 -16.056 -0.584 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.375 -14.996 -1.713 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.744 -14.339 -0.184 1.00 0.80 H new ATOM 696 N PRO A 43 -0.338 -15.975 -0.265 1.00 1.05 N ATOM 697 CA PRO A 43 -1.487 -16.139 0.649 1.00 1.15 C ATOM 698 C PRO A 43 -1.256 -15.542 2.045 1.00 1.08 C ATOM 699 O PRO A 43 -1.310 -16.248 3.054 1.00 1.40 O ATOM 700 CB PRO A 43 -1.669 -17.660 0.739 1.00 1.29 C ATOM 701 CG PRO A 43 -0.915 -18.213 -0.421 1.00 1.48 C ATOM 702 CD PRO A 43 0.234 -17.276 -0.644 1.00 1.11 C ATOM 0 HA PRO A 43 -2.361 -15.608 0.272 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.282 -18.048 1.681 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.723 -17.934 0.690 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.562 -19.223 -0.212 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.548 -18.273 -1.306 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.095 -17.536 -0.028 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.570 -17.285 -1.681 1.00 1.11 H new ATOM 710 N LEU A 44 -1.002 -14.240 2.083 1.00 0.87 N ATOM 711 CA LEU A 44 -0.877 -13.494 3.326 1.00 0.85 C ATOM 712 C LEU A 44 -0.932 -11.991 3.043 1.00 0.81 C ATOM 713 O LEU A 44 -2.006 -11.391 3.054 1.00 1.24 O ATOM 714 CB LEU A 44 0.412 -13.856 4.066 1.00 0.95 C ATOM 715 CG LEU A 44 0.663 -13.055 5.346 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.497 -13.214 6.317 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.959 -13.498 6.000 1.00 1.66 C ATOM 0 H LEU A 44 -0.876 -13.670 1.247 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.713 -13.764 3.971 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.385 -14.916 4.317 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.255 -13.710 3.391 1.00 0.95 H new ATOM 0 HG LEU A 44 0.746 -12.001 5.079 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.298 -12.636 7.220 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.414 -12.854 5.851 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.612 -14.266 6.577 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.124 -12.920 6.909 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.897 -14.557 6.250 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.788 -13.336 5.311 1.00 1.66 H new ATOM 729 N GLY A 45 0.224 -11.385 2.793 1.00 0.61 N ATOM 730 CA GLY A 45 0.261 -10.002 2.372 1.00 0.75 C ATOM 731 C GLY A 45 0.473 -9.039 3.519 1.00 0.61 C ATOM 732 O GLY A 45 1.488 -8.345 3.582 1.00 0.61 O ATOM 0 H GLY A 45 1.137 -11.831 2.876 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.061 -9.871 1.643 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.673 -9.757 1.867 1.00 0.75 H new ATOM 736 N VAL A 46 -0.478 -8.998 4.429 1.00 0.54 N ATOM 737 CA VAL A 46 -0.425 -8.070 5.546 1.00 0.45 C ATOM 738 C VAL A 46 -0.735 -8.789 6.851 1.00 0.47 C ATOM 739 O VAL A 46 -1.519 -9.738 6.878 1.00 0.60 O ATOM 740 CB VAL A 46 -1.418 -6.897 5.363 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.391 -5.971 6.567 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.107 -6.117 4.095 1.00 0.49 C ATOM 0 H VAL A 46 -1.302 -9.599 4.419 1.00 0.54 H new ATOM 0 HA VAL A 46 0.586 -7.665 5.580 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.419 -7.319 5.274 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.097 -5.155 6.414 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.669 -6.529 7.461 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.387 -5.564 6.691 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.818 -5.298 3.988 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.096 -5.714 4.154 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.184 -6.779 3.233 1.00 0.49 H new ATOM 752 N ASP A 47 -0.115 -8.331 7.925 1.00 0.41 N ATOM 753 CA ASP A 47 -0.331 -8.899 9.238 1.00 0.49 C ATOM 754 C ASP A 47 -0.775 -7.797 10.182 1.00 0.52 C ATOM 755 O ASP A 47 0.054 -7.049 10.704 1.00 0.57 O ATOM 756 CB ASP A 47 0.962 -9.523 9.753 1.00 0.58 C ATOM 757 CG ASP A 47 0.745 -10.491 10.899 1.00 0.79 C ATOM 758 OD1 ASP A 47 1.183 -11.649 10.779 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.159 -10.097 11.926 1.00 0.95 O ATOM 0 H ASP A 47 0.550 -7.557 7.908 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.098 -9.672 9.181 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.457 -10.045 8.934 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.635 -8.730 10.079 1.00 0.58 H new ATOM 764 N LYS A 48 -2.078 -7.668 10.370 1.00 0.63 N ATOM 765 CA LYS A 48 -2.621 -6.630 11.236 1.00 0.79 C ATOM 766 C LYS A 48 -2.384 -6.986 12.698 1.00 0.85 C ATOM 767 O LYS A 48 -2.377 -6.118 13.571 1.00 1.06 O ATOM 768 CB LYS A 48 -4.117 -6.449 10.985 1.00 1.01 C ATOM 769 CG LYS A 48 -4.470 -6.178 9.532 1.00 1.38 C ATOM 770 CD LYS A 48 -5.953 -5.886 9.386 1.00 1.34 C ATOM 771 CE LYS A 48 -6.318 -4.552 10.021 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.608 -4.619 10.758 1.00 2.81 N ATOM 0 H LYS A 48 -2.780 -8.267 9.936 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.111 -5.694 11.009 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.642 -7.346 11.315 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.481 -5.624 11.597 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -3.890 -5.332 9.163 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.202 -7.040 8.921 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.221 -5.874 8.330 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.531 -6.684 9.853 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.526 -4.247 10.705 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -6.382 -3.788 9.247 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -7.954 -3.655 10.940 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -8.307 -5.136 10.188 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -7.466 -5.113 11.662 1.00 2.81 H new ATOM 786 N LYS A 49 -2.191 -8.270 12.946 1.00 0.80 N ATOM 787 CA LYS A 49 -1.913 -8.774 14.275 1.00 0.97 C ATOM 788 C LYS A 49 -0.574 -8.244 14.787 1.00 1.14 C ATOM 789 O LYS A 49 -0.503 -7.622 15.846 1.00 1.32 O ATOM 790 CB LYS A 49 -1.908 -10.304 14.230 1.00 1.08 C ATOM 791 CG LYS A 49 -1.237 -10.950 15.421 1.00 1.35 C ATOM 792 CD LYS A 49 -1.184 -12.468 15.294 1.00 1.66 C ATOM 793 CE LYS A 49 -0.086 -12.945 14.344 1.00 2.40 C ATOM 794 NZ LYS A 49 -0.372 -12.632 12.918 1.00 3.17 N ATOM 0 H LYS A 49 -2.223 -8.993 12.227 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.686 -8.431 14.963 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.937 -10.659 14.168 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.403 -10.629 13.320 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.224 -10.559 15.522 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -1.775 -10.681 16.330 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.021 -12.905 16.279 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -2.148 -12.832 14.940 1.00 1.66 H new ATOM 0 HE2 LYS A 49 0.859 -12.482 14.629 1.00 2.40 H new ATOM 0 HE3 LYS A 49 0.040 -14.022 14.455 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 0.148 -13.293 12.306 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -1.392 -12.725 12.740 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -0.071 -11.659 12.709 1.00 3.17 H new ATOM 808 N GLY A 50 0.482 -8.498 14.028 1.00 1.22 N ATOM 809 CA GLY A 50 1.804 -8.054 14.418 1.00 1.53 C ATOM 810 C GLY A 50 2.078 -6.618 14.017 1.00 1.14 C ATOM 811 O GLY A 50 2.863 -5.929 14.666 1.00 1.29 O ATOM 0 H GLY A 50 0.446 -9.006 13.144 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.913 -8.153 15.498 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.551 -8.704 13.962 1.00 1.53 H new ATOM 815 N GLY A 51 1.442 -6.169 12.941 1.00 0.77 N ATOM 816 CA GLY A 51 1.641 -4.810 12.477 1.00 0.65 C ATOM 817 C GLY A 51 2.733 -4.717 11.434 1.00 0.56 C ATOM 818 O GLY A 51 3.630 -3.880 11.534 1.00 0.60 O ATOM 0 H GLY A 51 0.792 -6.722 12.382 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.709 -4.430 12.059 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.894 -4.172 13.324 1.00 0.65 H new ATOM 822 N ARG A 52 2.663 -5.576 10.425 1.00 0.51 N ATOM 823 CA ARG A 52 3.683 -5.599 9.390 1.00 0.53 C ATOM 824 C ARG A 52 3.135 -6.154 8.081 1.00 0.50 C ATOM 825 O ARG A 52 2.097 -6.809 8.063 1.00 0.60 O ATOM 826 CB ARG A 52 4.894 -6.418 9.844 1.00 0.68 C ATOM 827 CG ARG A 52 4.636 -7.913 10.003 1.00 1.04 C ATOM 828 CD ARG A 52 4.117 -8.271 11.388 1.00 1.42 C ATOM 829 NE ARG A 52 3.816 -9.699 11.487 1.00 2.14 N ATOM 830 CZ ARG A 52 4.209 -10.491 12.487 1.00 2.80 C ATOM 831 NH1 ARG A 52 4.855 -9.991 13.534 1.00 2.98 N ATOM 832 NH2 ARG A 52 3.934 -11.788 12.440 1.00 3.72 N ATOM 0 H ARG A 52 1.916 -6.260 10.303 1.00 0.51 H new ATOM 0 HA ARG A 52 3.998 -4.570 9.216 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.700 -6.278 9.123 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.246 -6.022 10.796 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.913 -8.235 9.253 1.00 1.04 H new ATOM 0 HG3 ARG A 52 5.559 -8.460 9.812 1.00 1.04 H new ATOM 0 HD2 ARG A 52 4.859 -8.000 12.139 1.00 1.42 H new ATOM 0 HD3 ARG A 52 3.219 -7.692 11.604 1.00 1.42 H new ATOM 0 HE ARG A 52 3.266 -10.120 10.738 1.00 2.14 H new ATOM 0 HH11 ARG A 52 5.056 -8.992 13.580 1.00 2.98 H new ATOM 0 HH12 ARG A 52 5.150 -10.606 14.292 1.00 2.98 H new ATOM 0 HH21 ARG A 52 3.426 -12.173 11.644 1.00 3.72 H new ATOM 0 HH22 ARG A 52 4.231 -12.400 13.200 1.00 3.72 H new ATOM 846 N TRP A 53 3.833 -5.873 6.990 1.00 0.52 N ATOM 847 CA TRP A 53 3.446 -6.377 5.675 1.00 0.53 C ATOM 848 C TRP A 53 4.430 -7.443 5.216 1.00 0.57 C ATOM 849 O TRP A 53 5.624 -7.163 5.090 1.00 0.73 O ATOM 850 CB TRP A 53 3.435 -5.252 4.632 1.00 0.65 C ATOM 851 CG TRP A 53 2.412 -4.180 4.851 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.898 -3.757 6.037 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.799 -3.375 3.838 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.995 -2.748 5.826 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.916 -2.494 4.483 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.912 -3.319 2.446 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.147 -1.565 3.786 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.150 -2.396 1.753 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.277 -1.530 2.423 1.00 1.28 C ATOM 0 H TRP A 53 4.674 -5.296 6.987 1.00 0.52 H new ATOM 0 HA TRP A 53 2.444 -6.796 5.765 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.422 -4.790 4.611 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.269 -5.693 3.649 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.163 -4.158 7.004 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.467 -2.264 6.552 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.582 -3.984 1.921 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.527 -0.897 4.301 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.230 -2.342 0.677 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.305 -0.821 1.854 1.00 1.28 H new ATOM 870 N TYR A 54 3.938 -8.654 4.978 1.00 0.49 N ATOM 871 CA TYR A 54 4.770 -9.732 4.451 1.00 0.58 C ATOM 872 C TYR A 54 3.905 -10.862 3.906 1.00 0.49 C ATOM 873 O TYR A 54 2.734 -10.996 4.264 1.00 0.52 O ATOM 874 CB TYR A 54 5.744 -10.263 5.517 1.00 0.75 C ATOM 875 CG TYR A 54 5.096 -10.996 6.678 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.471 -12.290 7.011 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.086 -10.395 7.423 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.862 -12.963 8.049 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.475 -11.065 8.469 1.00 0.95 C ATOM 880 CZ TYR A 54 3.953 -12.332 8.836 1.00 1.20 C ATOM 881 OH TYR A 54 3.262 -13.030 9.809 1.00 1.66 O ATOM 0 H TYR A 54 2.966 -8.915 5.142 1.00 0.49 H new ATOM 0 HA TYR A 54 5.363 -9.323 3.633 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.454 -10.935 5.035 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.317 -9.424 5.912 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.253 -12.778 6.448 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.774 -9.390 7.181 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.109 -13.997 8.237 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.643 -10.619 8.994 1.00 0.95 H new ATOM 0 HH TYR A 54 2.387 -12.613 9.952 1.00 1.66 H new ATOM 891 N GLU A 55 4.480 -11.658 3.026 1.00 0.52 N ATOM 892 CA GLU A 55 3.800 -12.823 2.497 1.00 0.56 C ATOM 893 C GLU A 55 4.682 -14.039 2.722 1.00 0.62 C ATOM 894 O GLU A 55 5.866 -13.896 3.034 1.00 0.81 O ATOM 895 CB GLU A 55 3.494 -12.669 1.000 1.00 0.73 C ATOM 896 CG GLU A 55 3.272 -11.242 0.540 1.00 0.81 C ATOM 897 CD GLU A 55 4.571 -10.564 0.157 1.00 1.51 C ATOM 898 OE1 GLU A 55 5.047 -10.796 -0.970 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.124 -9.805 0.978 1.00 2.12 O ATOM 0 H GLU A 55 5.422 -11.518 2.661 1.00 0.52 H new ATOM 0 HA GLU A 55 2.847 -12.939 3.014 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.319 -13.096 0.429 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.606 -13.255 0.763 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.594 -11.237 -0.314 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.787 -10.675 1.335 1.00 0.81 H new ATOM 906 N ILE A 56 4.124 -15.224 2.557 1.00 0.63 N ATOM 907 CA ILE A 56 4.890 -16.442 2.761 1.00 0.68 C ATOM 908 C ILE A 56 5.773 -16.709 1.551 1.00 0.70 C ATOM 909 O ILE A 56 5.296 -17.125 0.494 1.00 0.80 O ATOM 910 CB ILE A 56 3.980 -17.662 3.016 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.993 -17.364 4.152 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.819 -18.895 3.340 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.654 -16.984 5.464 1.00 0.90 C ATOM 0 H ILE A 56 3.152 -15.370 2.285 1.00 0.63 H new ATOM 0 HA ILE A 56 5.507 -16.295 3.647 1.00 0.68 H new ATOM 0 HB ILE A 56 3.409 -17.866 2.110 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.333 -16.554 3.842 1.00 0.90 H new ATOM 0 HG13 ILE A 56 2.367 -18.241 4.314 1.00 0.90 H new ATOM 0 HG21 ILE A 56 4.162 -19.746 3.517 1.00 0.92 H new ATOM 0 HG22 ILE A 56 5.480 -19.115 2.502 1.00 0.92 H new ATOM 0 HG23 ILE A 56 5.415 -18.705 4.233 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.888 -16.789 6.214 1.00 0.90 H new ATOM 0 HD12 ILE A 56 4.292 -17.801 5.800 1.00 0.90 H new ATOM 0 HD13 ILE A 56 4.258 -16.088 5.321 1.00 0.90 H new ATOM 925 N ASP A 57 7.057 -16.425 1.703 1.00 0.65 N ATOM 926 CA ASP A 57 8.022 -16.645 0.641 1.00 0.72 C ATOM 927 C ASP A 57 8.568 -18.065 0.716 1.00 0.76 C ATOM 928 O ASP A 57 8.744 -18.610 1.808 1.00 0.96 O ATOM 929 CB ASP A 57 9.166 -15.637 0.736 1.00 0.84 C ATOM 930 CG ASP A 57 10.139 -15.766 -0.415 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.907 -15.131 -1.466 1.00 1.71 O ATOM 932 OD2 ASP A 57 11.140 -16.491 -0.270 1.00 1.97 O ATOM 0 H ASP A 57 7.456 -16.039 2.559 1.00 0.65 H new ATOM 0 HA ASP A 57 7.519 -16.508 -0.316 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.757 -14.627 0.752 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.698 -15.781 1.677 1.00 0.84 H new ATOM 937 N GLU A 58 8.855 -18.637 -0.447 1.00 0.87 N ATOM 938 CA GLU A 58 9.269 -20.033 -0.562 1.00 1.01 C ATOM 939 C GLU A 58 10.567 -20.317 0.188 1.00 1.04 C ATOM 940 O GLU A 58 10.817 -21.446 0.604 1.00 1.17 O ATOM 941 CB GLU A 58 9.459 -20.400 -2.033 1.00 1.35 C ATOM 942 CG GLU A 58 10.484 -19.521 -2.731 1.00 1.54 C ATOM 943 CD GLU A 58 10.977 -20.113 -4.030 1.00 2.04 C ATOM 944 OE1 GLU A 58 10.527 -19.659 -5.102 1.00 2.43 O ATOM 945 OE2 GLU A 58 11.800 -21.047 -3.988 1.00 2.21 O ATOM 0 H GLU A 58 8.808 -18.146 -1.340 1.00 0.87 H new ATOM 0 HA GLU A 58 8.480 -20.637 -0.114 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.771 -21.442 -2.106 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.503 -20.317 -2.550 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.044 -18.543 -2.927 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.332 -19.361 -2.065 1.00 1.54 H new ATOM 952 N GLN A 59 11.394 -19.296 0.342 1.00 1.10 N ATOM 953 CA GLN A 59 12.704 -19.461 0.952 1.00 1.36 C ATOM 954 C GLN A 59 12.593 -19.610 2.472 1.00 1.39 C ATOM 955 O GLN A 59 13.512 -20.099 3.129 1.00 1.70 O ATOM 956 CB GLN A 59 13.611 -18.289 0.525 1.00 1.60 C ATOM 957 CG GLN A 59 14.455 -17.666 1.624 1.00 1.69 C ATOM 958 CD GLN A 59 13.656 -16.789 2.556 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.991 -16.656 3.731 1.00 2.39 O ATOM 960 NE2 GLN A 59 12.575 -16.211 2.051 1.00 1.40 N ATOM 0 H GLN A 59 11.181 -18.342 0.052 1.00 1.10 H new ATOM 0 HA GLN A 59 13.162 -20.385 0.599 1.00 1.36 H new ATOM 0 HB2 GLN A 59 14.277 -18.640 -0.263 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.984 -17.510 0.090 1.00 1.60 H new ATOM 0 HG2 GLN A 59 14.933 -18.458 2.200 1.00 1.69 H new ATOM 0 HG3 GLN A 59 15.252 -17.075 1.172 1.00 1.69 H new ATOM 0 HE21 GLN A 59 12.334 -16.349 1.069 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.984 -15.629 2.644 1.00 1.40 H new ATOM 969 N GLY A 60 11.454 -19.209 3.028 1.00 1.19 N ATOM 970 CA GLY A 60 11.250 -19.353 4.455 1.00 1.39 C ATOM 971 C GLY A 60 10.587 -18.147 5.088 1.00 1.45 C ATOM 972 O GLY A 60 11.125 -17.570 6.033 1.00 2.29 O ATOM 0 H GLY A 60 10.675 -18.790 2.519 1.00 1.19 H new ATOM 0 HA2 GLY A 60 10.638 -20.235 4.641 1.00 1.39 H new ATOM 0 HA3 GLY A 60 12.212 -19.526 4.937 1.00 1.39 H new ATOM 976 N GLU A 61 9.431 -17.759 4.549 1.00 1.11 N ATOM 977 CA GLU A 61 8.597 -16.698 5.133 1.00 1.15 C ATOM 978 C GLU A 61 9.343 -15.378 5.312 1.00 1.26 C ATOM 979 O GLU A 61 8.971 -14.564 6.156 1.00 1.72 O ATOM 980 CB GLU A 61 8.043 -17.139 6.489 1.00 1.33 C ATOM 981 CG GLU A 61 7.168 -18.377 6.435 1.00 1.38 C ATOM 982 CD GLU A 61 6.672 -18.778 7.807 1.00 1.69 C ATOM 983 OE1 GLU A 61 7.329 -19.613 8.459 1.00 1.77 O ATOM 984 OE2 GLU A 61 5.611 -18.274 8.232 1.00 2.31 O ATOM 0 H GLU A 61 9.044 -18.167 3.698 1.00 1.11 H new ATOM 0 HA GLU A 61 7.786 -16.528 4.424 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.877 -17.328 7.165 1.00 1.33 H new ATOM 0 HB3 GLU A 61 7.466 -16.319 6.916 1.00 1.33 H new ATOM 0 HG2 GLU A 61 6.316 -18.191 5.781 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.732 -19.201 5.998 1.00 1.38 H new ATOM 991 N GLU A 62 10.360 -15.144 4.507 1.00 1.06 N ATOM 992 CA GLU A 62 11.162 -13.950 4.666 1.00 1.20 C ATOM 993 C GLU A 62 10.972 -13.029 3.478 1.00 1.00 C ATOM 994 O GLU A 62 11.575 -13.212 2.422 1.00 1.08 O ATOM 995 CB GLU A 62 12.626 -14.323 4.840 1.00 1.54 C ATOM 996 CG GLU A 62 13.525 -13.157 5.215 1.00 1.98 C ATOM 997 CD GLU A 62 13.078 -12.459 6.481 1.00 2.16 C ATOM 998 OE1 GLU A 62 12.564 -11.325 6.390 1.00 2.61 O ATOM 999 OE2 GLU A 62 13.234 -13.039 7.573 1.00 2.56 O ATOM 0 H GLU A 62 10.648 -15.758 3.745 1.00 1.06 H new ATOM 0 HA GLU A 62 10.837 -13.419 5.561 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.705 -15.090 5.610 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.990 -14.764 3.912 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.546 -13.517 5.345 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.542 -12.439 4.395 1.00 1.98 H new ATOM 1006 N HIS A 63 10.077 -12.079 3.647 1.00 0.90 N ATOM 1007 CA HIS A 63 9.789 -11.111 2.620 1.00 0.85 C ATOM 1008 C HIS A 63 10.021 -9.702 3.134 1.00 0.92 C ATOM 1009 O HIS A 63 10.158 -9.495 4.339 1.00 1.22 O ATOM 1010 CB HIS A 63 8.357 -11.272 2.138 1.00 0.96 C ATOM 1011 CG HIS A 63 8.270 -11.268 0.657 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.854 -10.183 -0.079 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.580 -12.232 -0.225 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.919 -10.484 -1.362 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.356 -11.725 -1.479 1.00 3.37 N ATOM 0 H HIS A 63 9.531 -11.959 4.500 1.00 0.90 H new ATOM 0 HA HIS A 63 10.463 -11.283 1.781 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.947 -12.205 2.524 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.745 -10.464 2.540 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.939 -13.223 0.010 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.659 -9.827 -2.179 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.503 -12.223 -2.357 1.00 3.37 H new ATOM 1024 N THR A 64 10.088 -8.748 2.211 1.00 0.97 N ATOM 1025 CA THR A 64 10.264 -7.345 2.552 1.00 1.01 C ATOM 1026 C THR A 64 9.298 -6.916 3.661 1.00 1.50 C ATOM 1027 O THR A 64 8.083 -7.082 3.545 1.00 2.27 O ATOM 1028 CB THR A 64 10.070 -6.465 1.305 1.00 1.03 C ATOM 1029 OG1 THR A 64 8.976 -6.963 0.516 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.333 -6.437 0.458 1.00 1.44 C ATOM 0 H THR A 64 10.022 -8.927 1.209 1.00 0.97 H new ATOM 0 HA THR A 64 11.280 -7.215 2.924 1.00 1.01 H new ATOM 0 HB THR A 64 9.850 -5.451 1.638 1.00 1.03 H new ATOM 0 HG1 THR A 64 8.858 -6.396 -0.275 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.170 -5.808 -0.417 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.157 -6.033 1.046 1.00 1.44 H new ATOM 0 HG23 THR A 64 11.578 -7.449 0.137 1.00 1.44 H new ATOM 1038 N PHE A 65 9.856 -6.373 4.731 1.00 1.66 N ATOM 1039 CA PHE A 65 9.099 -6.082 5.940 1.00 2.32 C ATOM 1040 C PHE A 65 8.506 -4.679 5.887 1.00 1.96 C ATOM 1041 O PHE A 65 9.236 -3.691 5.891 1.00 2.43 O ATOM 1042 CB PHE A 65 10.023 -6.220 7.159 1.00 3.26 C ATOM 1043 CG PHE A 65 9.328 -6.165 8.491 1.00 4.27 C ATOM 1044 CD1 PHE A 65 8.884 -7.324 9.109 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.099 -4.950 9.114 1.00 4.69 C ATOM 1046 CE1 PHE A 65 8.230 -7.271 10.324 1.00 6.10 C ATOM 1047 CE2 PHE A 65 8.446 -4.890 10.329 1.00 5.77 C ATOM 1048 CZ PHE A 65 8.077 -6.078 10.971 1.00 6.48 C ATOM 0 H PHE A 65 10.843 -6.122 4.787 1.00 1.66 H new ATOM 0 HA PHE A 65 8.275 -6.791 6.020 1.00 2.32 H new ATOM 0 HB2 PHE A 65 10.559 -7.166 7.084 1.00 3.26 H new ATOM 0 HB3 PHE A 65 10.769 -5.427 7.122 1.00 3.26 H new ATOM 0 HD1 PHE A 65 9.052 -8.280 8.634 1.00 4.99 H new ATOM 0 HD2 PHE A 65 9.435 -4.038 8.644 1.00 4.69 H new ATOM 0 HE1 PHE A 65 7.838 -8.176 10.764 1.00 6.10 H new ATOM 0 HE2 PHE A 65 8.222 -3.935 10.780 1.00 5.77 H new ATOM 0 HZ PHE A 65 7.674 -6.051 11.972 1.00 6.48 H new ATOM 1058 N GLY A 66 7.185 -4.605 5.805 1.00 1.23 N ATOM 1059 CA GLY A 66 6.508 -3.326 5.904 1.00 0.93 C ATOM 1060 C GLY A 66 6.310 -2.939 7.351 1.00 0.80 C ATOM 1061 O GLY A 66 5.766 -3.722 8.128 1.00 0.96 O ATOM 0 H GLY A 66 6.569 -5.407 5.672 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.091 -2.559 5.394 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.542 -3.380 5.401 1.00 0.93 H new ATOM 1065 N LEU A 67 6.740 -1.744 7.717 1.00 0.64 N ATOM 1066 CA LEU A 67 6.761 -1.353 9.120 1.00 0.65 C ATOM 1067 C LEU A 67 5.574 -0.470 9.465 1.00 0.51 C ATOM 1068 O LEU A 67 5.601 0.740 9.250 1.00 0.54 O ATOM 1069 CB LEU A 67 8.081 -0.647 9.483 1.00 0.76 C ATOM 1070 CG LEU A 67 8.644 0.310 8.423 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.544 1.358 9.052 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.431 -0.457 7.382 1.00 1.14 C ATOM 0 H LEU A 67 7.077 -1.031 7.070 1.00 0.64 H new ATOM 0 HA LEU A 67 6.689 -2.265 9.712 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.929 -0.087 10.406 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.832 -1.409 9.692 1.00 0.76 H new ATOM 0 HG LEU A 67 7.798 0.809 7.950 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.928 2.021 8.277 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.974 1.939 9.777 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.377 0.867 9.555 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.823 0.237 6.638 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.258 -0.979 7.863 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.779 -1.182 6.894 1.00 1.14 H new ATOM 1084 N ILE A 68 4.523 -1.076 9.994 1.00 0.43 N ATOM 1085 CA ILE A 68 3.340 -0.319 10.364 1.00 0.38 C ATOM 1086 C ILE A 68 3.518 0.297 11.740 1.00 0.45 C ATOM 1087 O ILE A 68 3.792 -0.398 12.717 1.00 0.61 O ATOM 1088 CB ILE A 68 2.057 -1.176 10.370 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.901 -1.957 9.067 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.848 -0.281 10.591 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.675 -2.847 9.048 1.00 0.44 C ATOM 0 H ILE A 68 4.465 -2.078 10.175 1.00 0.43 H new ATOM 0 HA ILE A 68 3.224 0.456 9.607 1.00 0.38 H new ATOM 0 HB ILE A 68 2.132 -1.898 11.183 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.846 -1.255 8.235 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.789 -2.569 8.909 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.058 -0.887 10.595 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.945 0.232 11.548 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.788 0.455 9.789 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.623 -3.374 8.095 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.739 -3.571 9.860 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.219 -2.237 9.175 1.00 0.44 H new ATOM 1103 N ARG A 69 3.356 1.606 11.803 1.00 0.43 N ATOM 1104 CA ARG A 69 3.503 2.337 13.045 1.00 0.55 C ATOM 1105 C ARG A 69 2.137 2.729 13.599 1.00 0.51 C ATOM 1106 O ARG A 69 2.015 3.103 14.767 1.00 0.67 O ATOM 1107 CB ARG A 69 4.382 3.563 12.812 1.00 0.70 C ATOM 1108 CG ARG A 69 5.816 3.194 12.470 1.00 1.19 C ATOM 1109 CD ARG A 69 6.519 4.309 11.720 1.00 0.74 C ATOM 1110 NE ARG A 69 7.939 4.028 11.516 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.810 4.909 11.025 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.397 6.114 10.651 1.00 2.00 N ATOM 1113 NH2 ARG A 69 10.090 4.582 10.901 1.00 1.83 N ATOM 0 H ARG A 69 3.120 2.188 10.999 1.00 0.43 H new ATOM 0 HA ARG A 69 3.986 1.700 13.786 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.961 4.160 12.003 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.374 4.187 13.706 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.363 2.971 13.386 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.824 2.287 11.865 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.037 4.455 10.753 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.411 5.242 12.274 1.00 0.74 H new ATOM 0 HE ARG A 69 8.284 3.101 11.765 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.413 6.366 10.739 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.064 6.788 10.275 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.409 3.655 11.182 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.755 5.258 10.525 1.00 1.83 H new ATOM 1127 N LYS A 70 1.109 2.632 12.756 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.262 2.842 13.204 1.00 0.41 C ATOM 1129 C LYS A 70 -1.273 2.207 12.254 1.00 0.35 C ATOM 1130 O LYS A 70 -1.342 2.560 11.074 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.591 4.331 13.358 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.040 4.556 13.766 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.345 6.001 14.119 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.601 6.847 12.885 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.477 8.007 13.196 1.00 1.53 N ATOM 0 H LYS A 70 1.202 2.410 11.765 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.336 2.359 14.178 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.069 4.773 14.105 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.396 4.845 12.417 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.693 4.242 12.951 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.272 3.923 14.622 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -3.218 6.038 14.771 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.510 6.421 14.679 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -1.653 7.203 12.483 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -3.066 6.235 12.112 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -3.606 8.584 12.340 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -4.402 7.665 13.525 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.037 8.585 13.940 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.043 1.265 12.778 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.222 0.759 12.090 1.00 0.36 C ATOM 1151 C VAL A 71 -4.453 1.382 12.740 1.00 0.37 C ATOM 1152 O VAL A 71 -4.961 0.873 13.742 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.336 -0.787 12.160 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.572 -1.270 11.417 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.092 -1.459 11.597 1.00 0.77 C ATOM 0 H VAL A 71 -1.870 0.832 13.685 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.143 1.027 11.036 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.427 -1.063 13.211 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.632 -2.357 11.479 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.462 -0.831 11.868 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.509 -0.969 10.371 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.203 -2.541 11.660 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.961 -1.168 10.555 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.219 -1.149 12.172 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.912 2.497 12.194 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.954 3.280 12.844 1.00 0.36 C ATOM 1167 C ASP A 72 -7.313 3.029 12.202 1.00 0.35 C ATOM 1168 O ASP A 72 -7.890 3.936 11.597 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.613 4.769 12.772 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.009 5.524 14.023 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -6.488 4.879 14.984 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.879 6.766 14.044 1.00 1.42 O ATOM 0 H ASP A 72 -4.583 2.879 11.308 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.007 2.970 13.888 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.542 4.884 12.608 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.116 5.211 11.912 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.789 1.780 12.327 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.096 1.333 11.809 1.00 0.39 C ATOM 1179 C GLU A 73 -9.317 1.766 10.342 1.00 0.38 C ATOM 1180 O GLU A 73 -8.374 2.203 9.675 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.236 1.822 12.732 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.615 3.288 12.577 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.898 3.633 13.303 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.823 4.199 14.418 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.989 3.334 12.774 1.00 0.92 O ATOM 0 H GLU A 73 -7.270 1.039 12.798 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.103 0.243 11.810 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.120 1.213 12.543 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.943 1.647 13.767 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.806 3.912 12.958 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.726 3.522 11.518 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.531 1.567 9.774 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.903 2.199 8.503 1.00 0.32 C ATOM 1194 C PRO A 74 -10.918 3.725 8.611 1.00 0.31 C ATOM 1195 O PRO A 74 -11.976 4.350 8.635 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.313 1.666 8.219 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.425 0.426 9.035 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.594 0.666 10.261 1.00 0.38 C ATOM 0 HA PRO A 74 -10.191 1.968 7.711 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.074 2.394 8.500 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.449 1.455 7.158 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.463 0.225 9.300 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.063 -0.440 8.481 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.177 1.125 11.060 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.185 -0.263 10.659 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.731 4.300 8.698 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.554 5.740 8.836 1.00 0.31 C ATOM 1208 C ASP A 75 -8.173 6.150 8.339 1.00 0.30 C ATOM 1209 O ASP A 75 -8.052 6.845 7.329 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.742 6.178 10.295 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.358 7.628 10.533 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.265 7.886 11.082 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.145 8.521 10.160 1.00 0.50 O ATOM 0 H ASP A 75 -8.854 3.779 8.675 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.312 6.236 8.230 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.784 6.032 10.581 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.141 5.538 10.941 1.00 0.34 H new ATOM 1218 N THR A 76 -7.131 5.701 9.033 1.00 0.28 N ATOM 1219 CA THR A 76 -5.766 6.060 8.666 1.00 0.29 C ATOM 1220 C THR A 76 -4.778 4.931 8.933 1.00 0.29 C ATOM 1221 O THR A 76 -4.989 4.092 9.806 1.00 0.35 O ATOM 1222 CB THR A 76 -5.296 7.321 9.416 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.734 7.282 10.780 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.811 8.580 8.738 1.00 0.35 C ATOM 0 H THR A 76 -7.205 5.092 9.848 1.00 0.28 H new ATOM 0 HA THR A 76 -5.786 6.258 7.594 1.00 0.29 H new ATOM 0 HB THR A 76 -4.206 7.341 9.394 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.676 7.548 10.829 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.465 9.456 9.287 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.437 8.622 7.715 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.901 8.567 8.725 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.699 4.915 8.158 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.629 3.943 8.342 1.00 0.31 C ATOM 1234 C LEU A 77 -1.280 4.635 8.187 1.00 0.33 C ATOM 1235 O LEU A 77 -1.035 5.308 7.189 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.709 2.801 7.312 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.055 2.084 7.175 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.000 2.871 6.282 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.843 0.687 6.620 1.00 0.69 C ATOM 0 H LEU A 77 -3.542 5.569 7.391 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.739 3.520 9.341 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.439 3.205 6.336 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.954 2.058 7.570 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.509 2.009 8.163 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.949 2.341 6.200 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.171 3.857 6.713 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.559 2.979 5.291 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.805 0.183 6.525 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.370 0.753 5.640 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.202 0.121 7.295 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.418 4.486 9.175 1.00 0.32 N ATOM 1252 CA VAL A 78 0.943 4.997 9.076 1.00 0.36 C ATOM 1253 C VAL A 78 1.916 3.834 8.933 1.00 0.34 C ATOM 1254 O VAL A 78 2.167 3.101 9.892 1.00 0.36 O ATOM 1255 CB VAL A 78 1.333 5.854 10.301 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.736 6.421 10.133 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.327 6.974 10.522 1.00 0.67 C ATOM 0 H VAL A 78 -0.632 4.017 10.055 1.00 0.32 H new ATOM 0 HA VAL A 78 0.992 5.639 8.196 1.00 0.36 H new ATOM 0 HB VAL A 78 1.324 5.211 11.181 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.993 7.022 11.006 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.449 5.603 10.033 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.772 7.045 9.240 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.623 7.563 11.390 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.297 7.615 9.641 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.661 6.547 10.694 1.00 0.67 H new ATOM 1267 N ILE A 79 2.431 3.645 7.728 1.00 0.35 N ATOM 1268 CA ILE A 79 3.300 2.514 7.435 1.00 0.39 C ATOM 1269 C ILE A 79 4.598 2.970 6.762 1.00 0.40 C ATOM 1270 O ILE A 79 4.588 3.856 5.906 1.00 0.43 O ATOM 1271 CB ILE A 79 2.540 1.459 6.580 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.471 0.354 6.044 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.771 2.131 5.450 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.968 0.577 4.624 1.00 0.67 C ATOM 0 H ILE A 79 2.262 4.262 6.934 1.00 0.35 H new ATOM 0 HA ILE A 79 3.584 2.041 8.375 1.00 0.39 H new ATOM 0 HB ILE A 79 1.823 0.969 7.239 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.332 0.270 6.707 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.943 -0.599 6.085 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.248 1.374 4.866 1.00 0.52 H new ATOM 0 HG22 ILE A 79 1.048 2.831 5.868 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.467 2.669 4.806 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.616 -0.249 4.331 1.00 0.67 H new ATOM 0 HD12 ILE A 79 3.117 0.629 3.945 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.528 1.511 4.577 1.00 0.67 H new ATOM 1286 N GLY A 80 5.710 2.384 7.197 1.00 0.42 N ATOM 1287 CA GLY A 80 7.005 2.684 6.620 1.00 0.46 C ATOM 1288 C GLY A 80 7.376 1.704 5.522 1.00 0.46 C ATOM 1289 O GLY A 80 6.812 0.605 5.453 1.00 0.50 O ATOM 0 H GLY A 80 5.734 1.697 7.950 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.997 3.696 6.216 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.765 2.659 7.401 1.00 0.46 H new ATOM 1293 N TRP A 81 8.389 2.065 4.735 1.00 0.50 N ATOM 1294 CA TRP A 81 8.641 1.432 3.438 1.00 0.51 C ATOM 1295 C TRP A 81 8.957 -0.062 3.519 1.00 0.53 C ATOM 1296 O TRP A 81 9.334 -0.590 4.550 1.00 0.81 O ATOM 1297 CB TRP A 81 9.772 2.151 2.710 1.00 0.74 C ATOM 1298 CG TRP A 81 9.799 1.870 1.240 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.752 1.179 0.552 1.00 0.74 C ATOM 1300 CD2 TRP A 81 8.812 2.260 0.282 1.00 1.40 C ATOM 1301 NE1 TRP A 81 10.432 1.131 -0.785 1.00 0.88 N ATOM 1302 CE2 TRP A 81 9.240 1.791 -0.974 1.00 1.44 C ATOM 1303 CE3 TRP A 81 7.610 2.971 0.368 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 8.506 2.009 -2.135 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 6.882 3.186 -0.786 1.00 2.78 C ATOM 1306 CH2 TRP A 81 7.334 2.709 -2.022 1.00 2.79 C ATOM 0 H TRP A 81 9.055 2.799 4.975 1.00 0.50 H new ATOM 0 HA TRP A 81 7.707 1.520 2.883 1.00 0.51 H new ATOM 0 HB2 TRP A 81 9.671 3.225 2.866 1.00 0.74 H new ATOM 0 HB3 TRP A 81 10.725 1.853 3.148 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.631 0.734 0.993 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.986 0.681 -1.514 1.00 0.88 H new ATOM 0 HE3 TRP A 81 7.258 3.344 1.318 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 8.848 1.640 -3.091 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 5.950 3.730 -0.734 1.00 2.78 H new ATOM 0 HH2 TRP A 81 6.745 2.897 -2.907 1.00 2.79 H new ATOM 1317 N ARG A 82 8.836 -0.713 2.375 1.00 0.54 N ATOM 1318 CA ARG A 82 8.873 -2.160 2.285 1.00 0.74 C ATOM 1319 C ARG A 82 9.235 -2.585 0.869 1.00 0.81 C ATOM 1320 O ARG A 82 9.918 -3.584 0.674 1.00 1.47 O ATOM 1321 CB ARG A 82 7.514 -2.741 2.673 1.00 1.06 C ATOM 1322 CG ARG A 82 7.335 -4.186 2.243 1.00 1.64 C ATOM 1323 CD ARG A 82 5.940 -4.692 2.544 1.00 2.68 C ATOM 1324 NE ARG A 82 5.328 -5.347 1.386 1.00 3.63 N ATOM 1325 CZ ARG A 82 5.192 -6.668 1.259 1.00 4.53 C ATOM 1326 NH1 ARG A 82 5.700 -7.488 2.166 1.00 4.80 N ATOM 1327 NH2 ARG A 82 4.559 -7.179 0.215 1.00 5.46 N ATOM 0 H ARG A 82 8.708 -0.248 1.476 1.00 0.54 H new ATOM 0 HA ARG A 82 9.630 -2.538 2.972 1.00 0.74 H new ATOM 0 HB2 ARG A 82 7.393 -2.673 3.754 1.00 1.06 H new ATOM 0 HB3 ARG A 82 6.726 -2.135 2.225 1.00 1.06 H new ATOM 0 HG2 ARG A 82 7.531 -4.275 1.174 1.00 1.64 H new ATOM 0 HG3 ARG A 82 8.067 -4.811 2.754 1.00 1.64 H new ATOM 0 HD2 ARG A 82 5.982 -5.394 3.377 1.00 2.68 H new ATOM 0 HD3 ARG A 82 5.313 -3.858 2.861 1.00 2.68 H new ATOM 0 HE ARG A 82 4.984 -4.756 0.629 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.201 -7.111 2.971 1.00 4.80 H new ATOM 0 HH12 ARG A 82 5.591 -8.497 2.060 1.00 4.80 H new ATOM 0 HH21 ARG A 82 4.172 -6.562 -0.499 1.00 5.46 H new ATOM 0 HH22 ARG A 82 4.459 -8.190 0.124 1.00 5.46 H new ATOM 1341 N LEU A 83 8.752 -1.813 -0.111 1.00 0.79 N ATOM 1342 CA LEU A 83 9.059 -2.043 -1.526 1.00 0.86 C ATOM 1343 C LEU A 83 8.212 -3.205 -2.083 1.00 0.81 C ATOM 1344 O LEU A 83 7.455 -3.840 -1.345 1.00 1.21 O ATOM 1345 CB LEU A 83 10.576 -2.272 -1.696 1.00 1.23 C ATOM 1346 CG LEU A 83 11.124 -2.230 -3.120 1.00 1.13 C ATOM 1347 CD1 LEU A 83 12.434 -1.469 -3.160 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.337 -3.635 -3.640 1.00 1.28 C ATOM 0 H LEU A 83 8.140 -1.014 0.054 1.00 0.79 H new ATOM 0 HA LEU A 83 8.794 -1.162 -2.110 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.101 -1.519 -1.108 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.823 -3.242 -1.266 1.00 1.23 H new ATOM 0 HG LEU A 83 10.398 -1.720 -3.753 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.812 -1.448 -4.182 1.00 1.55 H new ATOM 0 HD12 LEU A 83 12.273 -0.449 -2.812 1.00 1.55 H new ATOM 0 HD13 LEU A 83 13.161 -1.962 -2.515 1.00 1.55 H new ATOM 0 HD21 LEU A 83 11.728 -3.591 -4.657 1.00 1.28 H new ATOM 0 HD22 LEU A 83 12.049 -4.156 -3.000 1.00 1.28 H new ATOM 0 HD23 LEU A 83 10.388 -4.171 -3.639 1.00 1.28 H new ATOM 1360 N ASN A 84 8.322 -3.456 -3.384 1.00 0.76 N ATOM 1361 CA ASN A 84 7.468 -4.429 -4.069 1.00 1.00 C ATOM 1362 C ASN A 84 8.273 -5.662 -4.457 1.00 1.25 C ATOM 1363 O ASN A 84 8.168 -6.710 -3.816 1.00 1.93 O ATOM 1364 CB ASN A 84 6.847 -3.776 -5.314 1.00 1.26 C ATOM 1365 CG ASN A 84 5.829 -4.640 -6.038 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.916 -5.867 -6.069 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.850 -3.985 -6.643 1.00 0.94 N ATOM 0 H ASN A 84 8.999 -2.996 -3.992 1.00 0.76 H new ATOM 0 HA ASN A 84 6.671 -4.744 -3.396 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.368 -2.843 -5.018 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.645 -3.518 -6.010 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.134 -4.499 -7.157 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.812 -2.967 -6.595 1.00 0.94 H new ATOM 1374 N GLY A 85 9.076 -5.531 -5.505 1.00 1.69 N ATOM 1375 CA GLY A 85 9.944 -6.612 -5.907 1.00 2.21 C ATOM 1376 C GLY A 85 11.065 -6.809 -4.917 1.00 1.96 C ATOM 1377 O GLY A 85 12.069 -6.124 -4.980 1.00 2.40 O ATOM 0 H GLY A 85 9.139 -4.693 -6.082 1.00 1.69 H new ATOM 0 HA2 GLY A 85 9.366 -7.532 -5.994 1.00 2.21 H new ATOM 0 HA3 GLY A 85 10.359 -6.401 -6.893 1.00 2.21 H new ATOM 1381 N PHE A 86 10.865 -7.735 -3.996 1.00 1.79 N ATOM 1382 CA PHE A 86 11.815 -8.029 -2.912 1.00 2.29 C ATOM 1383 C PHE A 86 13.232 -8.345 -3.415 1.00 2.14 C ATOM 1384 O PHE A 86 14.155 -8.510 -2.618 1.00 2.77 O ATOM 1385 CB PHE A 86 11.296 -9.198 -2.065 1.00 3.16 C ATOM 1386 CG PHE A 86 11.389 -10.546 -2.737 1.00 3.79 C ATOM 1387 CD1 PHE A 86 12.329 -11.486 -2.334 1.00 4.45 C ATOM 1388 CD2 PHE A 86 10.536 -10.867 -3.784 1.00 4.03 C ATOM 1389 CE1 PHE A 86 12.412 -12.716 -2.962 1.00 5.26 C ATOM 1390 CE2 PHE A 86 10.615 -12.095 -4.412 1.00 4.80 C ATOM 1391 CZ PHE A 86 11.570 -13.043 -3.953 1.00 5.38 C ATOM 0 H PHE A 86 10.029 -8.318 -3.971 1.00 1.79 H new ATOM 0 HA PHE A 86 11.888 -7.124 -2.309 1.00 2.29 H new ATOM 0 HB2 PHE A 86 11.858 -9.232 -1.132 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.255 -9.007 -1.804 1.00 3.16 H new ATOM 0 HD1 PHE A 86 13.002 -11.254 -1.522 1.00 4.45 H new ATOM 0 HD2 PHE A 86 9.801 -10.147 -4.112 1.00 4.03 H new ATOM 0 HE1 PHE A 86 13.166 -13.423 -2.649 1.00 5.26 H new ATOM 0 HE2 PHE A 86 9.961 -12.331 -5.239 1.00 4.80 H new ATOM 0 HZ PHE A 86 11.617 -14.024 -4.402 1.00 5.38 H new ATOM 1401 N GLY A 87 13.397 -8.446 -4.726 1.00 1.90 N ATOM 1402 CA GLY A 87 14.715 -8.627 -5.293 1.00 2.08 C ATOM 1403 C GLY A 87 15.363 -7.290 -5.596 1.00 1.87 C ATOM 1404 O GLY A 87 16.492 -7.226 -6.090 1.00 2.30 O ATOM 0 H GLY A 87 12.639 -8.406 -5.407 1.00 1.90 H new ATOM 0 HA2 GLY A 87 15.340 -9.189 -4.599 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.644 -9.217 -6.207 1.00 2.08 H new ATOM 1408 N ARG A 88 14.627 -6.222 -5.316 1.00 1.33 N ATOM 1409 CA ARG A 88 15.101 -4.879 -5.519 1.00 1.18 C ATOM 1410 C ARG A 88 15.637 -4.296 -4.214 1.00 1.09 C ATOM 1411 O ARG A 88 15.230 -4.697 -3.122 1.00 1.21 O ATOM 1412 CB ARG A 88 13.956 -4.022 -6.065 1.00 0.98 C ATOM 1413 CG ARG A 88 14.326 -3.282 -7.338 1.00 1.64 C ATOM 1414 CD ARG A 88 15.650 -2.555 -7.188 1.00 2.32 C ATOM 1415 NE ARG A 88 16.180 -2.103 -8.474 1.00 3.00 N ATOM 1416 CZ ARG A 88 17.468 -2.176 -8.822 1.00 3.96 C ATOM 1417 NH1 ARG A 88 18.355 -2.745 -8.013 1.00 4.44 N ATOM 1418 NH2 ARG A 88 17.861 -1.710 -9.997 1.00 4.77 N ATOM 0 H ARG A 88 13.680 -6.275 -4.940 1.00 1.33 H new ATOM 0 HA ARG A 88 15.919 -4.888 -6.239 1.00 1.18 H new ATOM 0 HB2 ARG A 88 13.093 -4.659 -6.259 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.655 -3.300 -5.306 1.00 0.98 H new ATOM 0 HG2 ARG A 88 14.388 -3.988 -8.166 1.00 1.64 H new ATOM 0 HG3 ARG A 88 13.542 -2.567 -7.586 1.00 1.64 H new ATOM 0 HD2 ARG A 88 15.519 -1.697 -6.529 1.00 2.32 H new ATOM 0 HD3 ARG A 88 16.374 -3.216 -6.711 1.00 2.32 H new ATOM 0 HE ARG A 88 15.525 -1.707 -9.148 1.00 3.00 H new ATOM 0 HH11 ARG A 88 18.055 -3.131 -7.118 1.00 4.44 H new ATOM 0 HH12 ARG A 88 19.336 -2.796 -8.287 1.00 4.44 H new ATOM 0 HH21 ARG A 88 17.181 -1.296 -10.635 1.00 4.77 H new ATOM 0 HH22 ARG A 88 18.844 -1.765 -10.265 1.00 4.77 H new ATOM 1432 N ILE A 89 16.569 -3.364 -4.353 1.00 1.08 N ATOM 1433 CA ILE A 89 17.205 -2.706 -3.227 1.00 1.08 C ATOM 1434 C ILE A 89 16.189 -1.867 -2.455 1.00 1.04 C ATOM 1435 O ILE A 89 15.519 -1.005 -3.020 1.00 1.15 O ATOM 1436 CB ILE A 89 18.403 -1.847 -3.728 1.00 1.29 C ATOM 1437 CG1 ILE A 89 19.162 -1.185 -2.562 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.944 -0.805 -4.750 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.543 0.095 -2.041 1.00 1.70 C ATOM 0 H ILE A 89 16.906 -3.042 -5.260 1.00 1.08 H new ATOM 0 HA ILE A 89 17.593 -3.458 -2.540 1.00 1.08 H new ATOM 0 HB ILE A 89 19.100 -2.522 -4.224 1.00 1.29 H new ATOM 0 HG12 ILE A 89 19.230 -1.899 -1.741 1.00 1.86 H new ATOM 0 HG13 ILE A 89 20.181 -0.973 -2.885 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.801 -0.219 -5.083 1.00 1.11 H new ATOM 0 HG22 ILE A 89 17.494 -1.308 -5.606 1.00 1.11 H new ATOM 0 HG23 ILE A 89 17.209 -0.144 -4.291 1.00 1.11 H new ATOM 0 HD11 ILE A 89 19.148 0.485 -1.223 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.500 0.831 -2.844 1.00 1.70 H new ATOM 0 HD13 ILE A 89 17.534 -0.109 -1.681 1.00 1.70 H new ATOM 1451 N ASP A 90 16.075 -2.132 -1.166 1.00 1.05 N ATOM 1452 CA ASP A 90 15.092 -1.454 -0.337 1.00 1.15 C ATOM 1453 C ASP A 90 15.733 -0.349 0.498 1.00 1.01 C ATOM 1454 O ASP A 90 16.880 -0.456 0.932 1.00 1.14 O ATOM 1455 CB ASP A 90 14.391 -2.447 0.594 1.00 1.54 C ATOM 1456 CG ASP A 90 15.327 -2.983 1.660 1.00 2.36 C ATOM 1457 OD1 ASP A 90 15.983 -4.012 1.418 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.390 -2.385 2.754 1.00 3.18 O ATOM 0 H ASP A 90 16.651 -2.812 -0.669 1.00 1.05 H new ATOM 0 HA ASP A 90 14.360 -1.005 -1.008 1.00 1.15 H new ATOM 0 HB2 ASP A 90 13.540 -1.959 1.070 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.996 -3.277 0.008 1.00 1.54 H new ATOM 1463 N PRO A 91 15.011 0.757 0.668 1.00 1.32 N ATOM 1464 CA PRO A 91 15.334 1.796 1.631 1.00 1.52 C ATOM 1465 C PRO A 91 14.530 1.645 2.923 1.00 1.24 C ATOM 1466 O PRO A 91 14.120 2.638 3.533 1.00 1.58 O ATOM 1467 CB PRO A 91 14.916 3.061 0.888 1.00 2.16 C ATOM 1468 CG PRO A 91 13.834 2.634 -0.061 1.00 2.36 C ATOM 1469 CD PRO A 91 13.842 1.126 -0.124 1.00 1.92 C ATOM 0 HA PRO A 91 16.378 1.780 1.943 1.00 1.52 H new ATOM 0 HB2 PRO A 91 14.553 3.820 1.581 1.00 2.16 H new ATOM 0 HB3 PRO A 91 15.759 3.497 0.351 1.00 2.16 H new ATOM 0 HG2 PRO A 91 12.864 2.997 0.278 1.00 2.36 H new ATOM 0 HG3 PRO A 91 14.005 3.058 -1.050 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.927 0.702 0.290 1.00 1.92 H new ATOM 0 HD3 PRO A 91 13.923 0.768 -1.150 1.00 1.92 H new ATOM 1477 N ASP A 92 14.320 0.399 3.338 1.00 1.06 N ATOM 1478 CA ASP A 92 13.551 0.096 4.536 1.00 1.34 C ATOM 1479 C ASP A 92 14.260 0.606 5.786 1.00 1.18 C ATOM 1480 O ASP A 92 15.129 -0.052 6.362 1.00 1.61 O ATOM 1481 CB ASP A 92 13.252 -1.416 4.609 1.00 1.93 C ATOM 1482 CG ASP A 92 13.180 -1.983 6.022 1.00 2.60 C ATOM 1483 OD1 ASP A 92 12.433 -1.408 6.850 1.00 2.98 O ATOM 1484 OD2 ASP A 92 13.849 -2.991 6.315 1.00 2.99 O ATOM 0 H ASP A 92 14.677 -0.425 2.854 1.00 1.06 H new ATOM 0 HA ASP A 92 12.596 0.618 4.484 1.00 1.34 H new ATOM 0 HB2 ASP A 92 12.305 -1.610 4.105 1.00 1.93 H new ATOM 0 HB3 ASP A 92 14.023 -1.952 4.056 1.00 1.93 H new ATOM 1489 N ASN A 93 13.950 1.846 6.123 1.00 1.06 N ATOM 1490 CA ASN A 93 14.305 2.416 7.410 1.00 1.26 C ATOM 1491 C ASN A 93 13.549 3.721 7.580 1.00 1.04 C ATOM 1492 O ASN A 93 13.598 4.371 8.624 1.00 1.49 O ATOM 1493 CB ASN A 93 15.817 2.668 7.547 1.00 1.65 C ATOM 1494 CG ASN A 93 16.342 3.783 6.652 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.923 3.810 5.396 1.00 3.06 O flip ATOM 1496 ND2 ASN A 93 17.155 4.596 7.083 1.00 2.21 N flip ATOM 0 H ASN A 93 13.444 2.486 5.511 1.00 1.06 H new ATOM 0 HA ASN A 93 14.033 1.701 8.187 1.00 1.26 H new ATOM 0 HB2 ASN A 93 16.042 2.913 8.585 1.00 1.65 H new ATOM 0 HB3 ASN A 93 16.351 1.747 7.314 1.00 1.65 H new ATOM 0 HD21 ASN A 93 17.457 4.548 8.056 1.00 2.21 H new ATOM 0 HD22 ASN A 93 17.528 5.319 6.468 1.00 2.21 H new ATOM 1503 N SER A 94 12.817 4.060 6.529 1.00 0.68 N ATOM 1504 CA SER A 94 12.175 5.344 6.385 1.00 0.77 C ATOM 1505 C SER A 94 11.068 5.223 5.338 1.00 0.72 C ATOM 1506 O SER A 94 10.413 4.183 5.251 1.00 1.22 O ATOM 1507 CB SER A 94 13.212 6.385 5.951 1.00 1.19 C ATOM 1508 OG SER A 94 14.195 6.595 6.953 1.00 1.85 O ATOM 0 H SER A 94 12.654 3.433 5.741 1.00 0.68 H new ATOM 0 HA SER A 94 11.741 5.660 7.333 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.695 6.056 5.031 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.711 7.327 5.729 1.00 1.19 H new ATOM 0 HG SER A 94 14.841 7.263 6.642 1.00 1.85 H new ATOM 1514 N SER A 95 10.881 6.277 4.545 1.00 0.60 N ATOM 1515 CA SER A 95 9.888 6.291 3.476 1.00 0.67 C ATOM 1516 C SER A 95 8.491 5.943 4.004 1.00 0.70 C ATOM 1517 O SER A 95 7.704 5.270 3.342 1.00 1.27 O ATOM 1518 CB SER A 95 10.317 5.344 2.356 1.00 0.93 C ATOM 1519 OG SER A 95 11.604 5.695 1.871 1.00 1.44 O ATOM 0 H SER A 95 11.413 7.143 4.627 1.00 0.60 H new ATOM 0 HA SER A 95 9.829 7.301 3.070 1.00 0.67 H new ATOM 0 HB2 SER A 95 10.328 4.318 2.724 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.593 5.383 1.542 1.00 0.93 H new ATOM 0 HG SER A 95 11.520 6.093 0.979 1.00 1.44 H new ATOM 1525 N GLU A 96 8.207 6.439 5.199 1.00 0.48 N ATOM 1526 CA GLU A 96 6.909 6.296 5.837 1.00 0.45 C ATOM 1527 C GLU A 96 5.865 7.172 5.141 1.00 0.45 C ATOM 1528 O GLU A 96 6.195 8.225 4.581 1.00 0.60 O ATOM 1529 CB GLU A 96 7.056 6.695 7.308 1.00 0.56 C ATOM 1530 CG GLU A 96 5.748 6.947 8.038 1.00 1.11 C ATOM 1531 CD GLU A 96 5.967 7.637 9.366 1.00 1.30 C ATOM 1532 OE1 GLU A 96 6.225 8.853 9.376 1.00 1.81 O ATOM 1533 OE2 GLU A 96 5.852 6.969 10.413 1.00 1.33 O ATOM 0 H GLU A 96 8.882 6.959 5.760 1.00 0.48 H new ATOM 0 HA GLU A 96 6.569 5.263 5.763 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.600 5.908 7.830 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.666 7.596 7.365 1.00 0.56 H new ATOM 0 HG2 GLU A 96 5.096 7.559 7.414 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.235 5.999 8.202 1.00 1.11 H new ATOM 1540 N PHE A 97 4.616 6.729 5.161 1.00 0.39 N ATOM 1541 CA PHE A 97 3.522 7.498 4.592 1.00 0.40 C ATOM 1542 C PHE A 97 2.243 7.284 5.381 1.00 0.41 C ATOM 1543 O PHE A 97 2.013 6.208 5.936 1.00 0.53 O ATOM 1544 CB PHE A 97 3.305 7.147 3.115 1.00 0.51 C ATOM 1545 CG PHE A 97 3.271 5.674 2.808 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.453 4.957 2.706 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.070 5.009 2.598 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.446 3.615 2.403 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.056 3.660 2.296 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.247 2.962 2.197 1.00 0.63 C ATOM 0 H PHE A 97 4.336 5.836 5.568 1.00 0.39 H new ATOM 0 HA PHE A 97 3.793 8.552 4.653 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.367 7.593 2.786 1.00 0.51 H new ATOM 0 HB3 PHE A 97 4.100 7.607 2.528 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.395 5.460 2.867 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.139 5.551 2.671 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.377 3.073 2.326 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.117 3.151 2.137 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.239 1.909 1.959 1.00 0.63 H new ATOM 1560 N THR A 98 1.426 8.322 5.437 1.00 0.35 N ATOM 1561 CA THR A 98 0.165 8.261 6.143 1.00 0.36 C ATOM 1562 C THR A 98 -0.993 8.144 5.154 1.00 0.33 C ATOM 1563 O THR A 98 -1.226 9.043 4.343 1.00 0.36 O ATOM 1564 CB THR A 98 -0.039 9.507 7.027 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.100 9.691 7.881 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.296 9.370 7.877 1.00 0.40 C ATOM 0 H THR A 98 1.619 9.222 4.997 1.00 0.35 H new ATOM 0 HA THR A 98 0.186 7.379 6.783 1.00 0.36 H new ATOM 0 HB THR A 98 -0.152 10.373 6.375 1.00 0.38 H new ATOM 0 HG1 THR A 98 0.965 10.485 8.439 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.418 10.262 8.492 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.164 9.255 7.227 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.206 8.495 8.521 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.692 7.022 5.216 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.867 6.799 4.392 1.00 0.35 C ATOM 1576 C VAL A 99 -4.080 7.456 5.035 1.00 0.31 C ATOM 1577 O VAL A 99 -4.550 7.005 6.079 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.141 5.286 4.215 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.387 5.049 3.384 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.952 4.586 3.584 1.00 0.87 C ATOM 0 H VAL A 99 -1.462 6.245 5.835 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.682 7.238 3.412 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.303 4.866 5.207 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.554 3.977 3.277 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.246 5.503 3.879 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.258 5.497 2.399 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.172 3.524 3.472 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.751 5.021 2.605 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.077 4.709 4.222 1.00 0.87 H new ATOM 1590 N THR A 100 -4.571 8.526 4.427 1.00 0.31 N ATOM 1591 CA THR A 100 -5.712 9.238 4.968 1.00 0.30 C ATOM 1592 C THR A 100 -6.976 8.930 4.182 1.00 0.26 C ATOM 1593 O THR A 100 -7.155 9.404 3.063 1.00 0.28 O ATOM 1594 CB THR A 100 -5.476 10.758 4.956 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.172 11.057 5.473 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.535 11.470 5.784 1.00 0.36 C ATOM 0 H THR A 100 -4.197 8.917 3.562 1.00 0.31 H new ATOM 0 HA THR A 100 -5.837 8.901 5.997 1.00 0.30 H new ATOM 0 HB THR A 100 -5.543 11.110 3.926 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.029 12.026 5.460 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.351 12.544 5.764 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.521 11.263 5.369 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.492 11.114 6.813 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.853 8.131 4.769 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.123 7.817 4.142 1.00 0.24 C ATOM 1606 C PHE A 101 -10.177 8.832 4.557 1.00 0.25 C ATOM 1607 O PHE A 101 -10.591 8.867 5.716 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.591 6.412 4.521 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.844 5.296 3.856 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.943 5.103 2.491 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.063 4.426 4.597 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.274 4.067 1.872 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.389 3.388 3.982 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.496 3.208 2.617 1.00 0.29 C ATOM 0 H PHE A 101 -7.707 7.690 5.677 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.983 7.857 3.062 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.503 6.295 5.601 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.649 6.319 4.275 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.552 5.772 1.901 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.980 4.560 5.665 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.360 3.930 0.804 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.779 2.718 4.569 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.971 2.396 2.135 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.602 9.658 3.618 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.638 10.644 3.889 1.00 0.31 C ATOM 1626 C VAL A 102 -13.011 10.064 3.568 1.00 0.30 C ATOM 1627 O VAL A 102 -13.348 9.858 2.399 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.419 11.941 3.080 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.480 12.977 3.426 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.024 12.496 3.328 1.00 0.54 C ATOM 0 H VAL A 102 -10.248 9.667 2.662 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.584 10.895 4.948 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.510 11.703 2.020 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.307 13.883 2.845 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.467 12.579 3.192 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.426 13.212 4.489 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.888 13.410 2.750 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.903 12.716 4.389 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.280 11.760 3.024 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.786 9.780 4.612 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.114 9.203 4.455 1.00 0.35 C ATOM 1642 C ALA A 103 -16.063 10.218 3.840 1.00 0.39 C ATOM 1643 O ALA A 103 -16.047 11.396 4.204 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.645 8.725 5.798 1.00 0.44 C ATOM 0 H ALA A 103 -13.512 9.942 5.581 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.043 8.346 3.785 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.638 8.296 5.665 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.975 7.968 6.206 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.703 9.568 6.487 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.885 9.763 2.911 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.785 10.648 2.192 1.00 0.57 C ATOM 1652 C ASP A 104 -19.200 10.101 2.204 1.00 0.64 C ATOM 1653 O ASP A 104 -19.515 9.149 1.478 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.342 10.804 0.741 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.886 12.062 0.094 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -17.091 12.950 -0.271 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.120 12.188 -0.018 1.00 2.03 O ATOM 0 H ASP A 104 -16.948 8.783 2.636 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.760 11.616 2.692 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.253 10.820 0.698 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.671 9.936 0.170 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.038 10.680 3.046 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.445 10.371 3.021 1.00 0.83 C ATOM 1664 C GLY A 105 -21.758 8.980 3.518 1.00 1.06 C ATOM 1665 O GLY A 105 -21.842 8.742 4.727 1.00 1.97 O ATOM 0 H GLY A 105 -19.764 11.364 3.751 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.981 11.097 3.632 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.816 10.477 2.001 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.925 8.061 2.584 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.360 6.716 2.914 1.00 2.07 C ATOM 1671 C GLN A 106 -21.750 5.671 1.984 1.00 1.73 C ATOM 1672 O GLN A 106 -21.708 4.488 2.321 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.887 6.651 2.845 1.00 2.98 C ATOM 1674 CG GLN A 106 -24.446 7.085 1.497 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.954 6.937 1.393 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -26.502 5.915 2.033 1.00 4.84 O flip ATOM 1677 NE2 GLN A 106 -26.617 7.726 0.723 1.00 4.93 N flip ATOM 0 H GLN A 106 -21.766 8.222 1.589 1.00 1.24 H new ATOM 0 HA GLN A 106 -22.018 6.488 3.924 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -24.210 5.631 3.054 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -24.307 7.285 3.626 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -24.178 8.126 1.319 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.975 6.496 0.710 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -26.157 8.501 0.245 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -27.627 7.606 0.645 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.285 6.087 0.812 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.786 5.122 -0.156 1.00 0.48 C ATOM 1688 C LYS A 107 -19.486 5.566 -0.810 1.00 0.38 C ATOM 1689 O LYS A 107 -18.978 4.880 -1.691 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.830 4.865 -1.243 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.121 6.079 -2.110 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.889 5.695 -3.360 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.067 6.885 -4.287 1.00 2.95 C ATOM 1694 NZ LYS A 107 -23.691 6.495 -5.576 1.00 3.53 N ATOM 0 H LYS A 107 -21.243 7.062 0.515 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.586 4.205 0.398 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.486 4.049 -1.879 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -22.756 4.534 -0.774 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.695 6.807 -1.538 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -21.184 6.561 -2.390 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.360 4.899 -3.884 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -23.866 5.299 -3.082 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -23.686 7.637 -3.797 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -22.097 7.345 -4.478 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -23.795 7.335 -6.180 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -23.089 5.796 -6.056 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -24.627 6.080 -5.397 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.930 6.691 -0.397 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.727 7.175 -1.051 1.00 0.29 C ATOM 1710 C LYS A 108 -16.631 7.454 -0.034 1.00 0.27 C ATOM 1711 O LYS A 108 -16.906 7.691 1.137 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.040 8.426 -1.878 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.958 8.785 -2.885 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.453 9.808 -3.896 1.00 1.09 C ATOM 1715 CE LYS A 108 -17.814 11.129 -3.237 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.616 11.846 -2.725 1.00 2.44 N ATOM 0 H LYS A 108 -19.279 7.272 0.365 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.364 6.399 -1.725 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.980 8.273 -2.408 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.188 9.269 -1.203 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.089 9.182 -2.360 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.632 7.885 -3.407 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -16.683 9.977 -4.648 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -18.325 9.412 -4.416 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -18.335 11.762 -3.956 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -18.505 10.946 -2.414 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -16.912 12.576 -2.046 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -15.982 11.170 -2.253 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -16.115 12.294 -3.518 1.00 2.44 H new ATOM 1730 N THR A 109 -15.391 7.375 -0.487 1.00 0.26 N ATOM 1731 CA THR A 109 -14.231 7.696 0.331 1.00 0.25 C ATOM 1732 C THR A 109 -13.026 7.968 -0.560 1.00 0.26 C ATOM 1733 O THR A 109 -12.666 7.145 -1.396 1.00 0.35 O ATOM 1734 CB THR A 109 -13.902 6.557 1.323 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.903 6.500 2.343 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.534 6.749 1.969 1.00 0.42 C ATOM 0 H THR A 109 -15.158 7.085 -1.437 1.00 0.26 H new ATOM 0 HA THR A 109 -14.468 8.588 0.910 1.00 0.25 H new ATOM 0 HB THR A 109 -13.884 5.623 0.761 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.566 7.206 2.191 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.339 5.928 2.660 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.765 6.763 1.196 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.518 7.693 2.514 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.422 9.130 -0.402 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.254 9.480 -1.189 1.00 0.27 C ATOM 1746 C ARG A 110 -10.033 9.478 -0.284 1.00 0.26 C ATOM 1747 O ARG A 110 -9.982 10.215 0.699 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.451 10.854 -1.843 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.607 11.092 -3.094 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.124 11.200 -2.776 1.00 0.62 C ATOM 1751 NE ARG A 110 -8.545 12.449 -3.264 1.00 1.27 N ATOM 1752 CZ ARG A 110 -7.950 13.352 -2.486 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -7.861 13.158 -1.175 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -7.441 14.450 -3.023 1.00 2.59 N ATOM 0 H ARG A 110 -12.719 9.846 0.261 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.109 8.750 -1.985 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.503 10.970 -2.104 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.217 11.627 -1.111 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.767 10.276 -3.799 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -10.939 12.007 -3.585 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.979 11.131 -1.698 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -8.596 10.358 -3.223 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.600 12.642 -4.264 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.250 12.313 -0.757 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -7.404 13.854 -0.586 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.505 14.602 -4.030 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -6.985 15.143 -2.430 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.060 8.642 -0.604 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.870 8.530 0.227 1.00 0.27 C ATOM 1770 C VAL A 111 -6.748 9.390 -0.321 1.00 0.29 C ATOM 1771 O VAL A 111 -6.566 9.477 -1.544 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.361 7.072 0.335 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.829 6.581 -0.995 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.284 6.951 1.398 1.00 0.33 C ATOM 0 H VAL A 111 -9.068 8.036 -1.424 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.160 8.873 1.220 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.208 6.449 0.622 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.478 5.554 -0.890 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.623 6.619 -1.741 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.002 7.216 -1.313 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.943 5.917 1.454 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.444 7.597 1.140 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.690 7.252 2.364 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.004 10.018 0.578 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.794 10.715 0.199 1.00 0.37 C ATOM 1786 C ASP A 112 -3.655 10.265 1.106 1.00 0.37 C ATOM 1787 O ASP A 112 -3.771 10.265 2.331 1.00 0.40 O ATOM 1788 CB ASP A 112 -4.974 12.246 0.223 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.559 12.910 1.526 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.379 13.297 1.655 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -5.406 13.010 2.440 1.00 1.38 O ATOM 0 H ASP A 112 -6.221 10.056 1.574 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.551 10.460 -0.832 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -4.394 12.680 -0.592 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -6.021 12.479 0.029 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.591 9.784 0.493 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.400 9.406 1.224 1.00 0.41 C ATOM 1798 C VAL A 113 -0.377 10.505 1.148 1.00 0.43 C ATOM 1799 O VAL A 113 0.035 10.896 0.056 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.779 8.105 0.674 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.703 7.984 1.025 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.544 6.907 1.193 1.00 0.77 C ATOM 0 H VAL A 113 -2.528 9.646 -0.516 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.695 9.237 2.259 1.00 0.41 H new ATOM 0 HB VAL A 113 -0.852 8.137 -0.413 1.00 0.50 H new ATOM 0 HG11 VAL A 113 1.099 7.053 0.618 1.00 0.91 H new ATOM 0 HG12 VAL A 113 1.248 8.827 0.599 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.822 7.985 2.109 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.099 5.993 0.800 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.501 6.892 2.282 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.583 6.972 0.871 1.00 0.77 H new ATOM 1812 N GLU A 114 0.019 11.001 2.300 1.00 0.47 N ATOM 1813 CA GLU A 114 1.117 11.929 2.360 1.00 0.55 C ATOM 1814 C GLU A 114 2.356 11.192 2.808 1.00 0.60 C ATOM 1815 O GLU A 114 2.389 10.583 3.881 1.00 0.62 O ATOM 1816 CB GLU A 114 0.838 13.080 3.305 1.00 0.67 C ATOM 1817 CG GLU A 114 1.852 14.201 3.164 1.00 1.31 C ATOM 1818 CD GLU A 114 1.789 15.194 4.302 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.523 15.012 5.300 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.010 16.165 4.205 1.00 2.05 O ATOM 0 H GLU A 114 -0.403 10.776 3.201 1.00 0.47 H new ATOM 0 HA GLU A 114 1.260 12.352 1.366 1.00 0.55 H new ATOM 0 HB2 GLU A 114 -0.161 13.471 3.113 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.845 12.714 4.332 1.00 0.67 H new ATOM 0 HG2 GLU A 114 2.854 13.775 3.115 1.00 1.31 H new ATOM 0 HG3 GLU A 114 1.681 14.723 2.222 1.00 1.31 H new ATOM 1827 N HIS A 115 3.361 11.236 1.978 1.00 0.70 N ATOM 1828 CA HIS A 115 4.587 10.524 2.231 1.00 0.80 C ATOM 1829 C HIS A 115 5.654 11.481 2.715 1.00 0.89 C ATOM 1830 O HIS A 115 5.619 12.676 2.418 1.00 1.17 O ATOM 1831 CB HIS A 115 5.039 9.867 0.944 1.00 0.92 C ATOM 1832 CG HIS A 115 6.118 8.834 1.063 1.00 0.87 C ATOM 1833 ND1 HIS A 115 7.453 9.123 0.906 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.043 7.496 1.238 1.00 1.36 C ATOM 1835 CE1 HIS A 115 8.151 8.008 0.977 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.319 7.007 1.179 1.00 1.47 N ATOM 0 H HIS A 115 3.355 11.766 1.106 1.00 0.70 H new ATOM 0 HA HIS A 115 4.421 9.769 3.000 1.00 0.80 H new ATOM 0 HB2 HIS A 115 4.172 9.402 0.476 1.00 0.92 H new ATOM 0 HB3 HIS A 115 5.387 10.647 0.267 1.00 0.92 H new ATOM 0 HD1 HIS A 115 7.842 10.054 0.758 1.00 1.59 H new ATOM 0 HD2 HIS A 115 5.143 6.920 1.395 1.00 1.36 H new ATOM 0 HE1 HIS A 115 9.224 7.928 0.885 1.00 1.64 H new ATOM 0 HE2 HIS A 115 7.583 6.027 1.276 1.00 1.47 H new ATOM 1845 N THR A 116 6.575 10.947 3.480 1.00 0.90 N ATOM 1846 CA THR A 116 7.772 11.661 3.860 1.00 1.08 C ATOM 1847 C THR A 116 8.589 12.060 2.623 1.00 0.83 C ATOM 1848 O THR A 116 8.259 11.698 1.487 1.00 1.67 O ATOM 1849 CB THR A 116 8.634 10.753 4.736 1.00 1.92 C ATOM 1850 OG1 THR A 116 9.794 11.451 5.200 1.00 2.67 O ATOM 1851 CG2 THR A 116 9.044 9.536 3.923 1.00 2.51 C ATOM 0 H THR A 116 6.516 10.002 3.858 1.00 0.90 H new ATOM 0 HA THR A 116 7.481 12.562 4.399 1.00 1.08 H new ATOM 0 HB THR A 116 8.060 10.440 5.608 1.00 1.92 H new ATOM 0 HG1 THR A 116 10.328 10.857 5.767 1.00 2.67 H new ATOM 0 HG21 THR A 116 9.660 8.879 4.537 1.00 2.51 H new ATOM 0 HG22 THR A 116 8.153 8.999 3.598 1.00 2.51 H new ATOM 0 HG23 THR A 116 9.613 9.856 3.050 1.00 2.51 H new ATOM 1859 N HIS A 117 9.683 12.757 2.857 1.00 0.72 N ATOM 1860 CA HIS A 117 10.578 13.171 1.791 1.00 1.13 C ATOM 1861 C HIS A 117 11.879 12.370 1.845 1.00 0.90 C ATOM 1862 O HIS A 117 12.885 12.778 1.277 1.00 0.97 O ATOM 1863 CB HIS A 117 10.862 14.683 1.863 1.00 1.98 C ATOM 1864 CG HIS A 117 11.453 15.156 3.163 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.711 15.799 4.129 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.720 15.102 3.643 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.493 16.121 5.141 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.717 15.709 4.877 1.00 2.63 N ATOM 0 H HIS A 117 9.977 13.052 3.788 1.00 0.72 H new ATOM 0 HA HIS A 117 10.089 12.969 0.838 1.00 1.13 H new ATOM 0 HB2 HIS A 117 11.542 14.949 1.054 1.00 1.98 H new ATOM 0 HB3 HIS A 117 9.931 15.221 1.687 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.574 14.663 3.148 1.00 2.33 H new ATOM 0 HE1 HIS A 117 11.182 16.637 6.037 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.527 15.822 5.487 1.00 2.63 H new ATOM 1877 N PHE A 118 11.846 11.226 2.532 1.00 0.76 N ATOM 1878 CA PHE A 118 12.999 10.326 2.600 1.00 0.76 C ATOM 1879 C PHE A 118 13.420 9.849 1.206 1.00 0.65 C ATOM 1880 O PHE A 118 14.596 9.566 0.970 1.00 0.74 O ATOM 1881 CB PHE A 118 12.688 9.133 3.525 1.00 0.97 C ATOM 1882 CG PHE A 118 12.751 9.491 4.985 1.00 1.74 C ATOM 1883 CD1 PHE A 118 13.866 10.117 5.521 1.00 2.35 C ATOM 1884 CD2 PHE A 118 11.686 9.201 5.822 1.00 2.32 C ATOM 1885 CE1 PHE A 118 13.918 10.444 6.861 1.00 3.18 C ATOM 1886 CE2 PHE A 118 11.732 9.525 7.162 1.00 3.21 C ATOM 1887 CZ PHE A 118 12.882 10.156 7.679 1.00 3.54 C ATOM 0 H PHE A 118 11.030 10.900 3.051 1.00 0.76 H new ATOM 0 HA PHE A 118 13.839 10.880 3.019 1.00 0.76 H new ATOM 0 HB2 PHE A 118 11.694 8.749 3.293 1.00 0.97 H new ATOM 0 HB3 PHE A 118 13.396 8.329 3.323 1.00 0.97 H new ATOM 0 HD1 PHE A 118 14.704 10.352 4.882 1.00 2.35 H new ATOM 0 HD2 PHE A 118 10.809 8.715 5.420 1.00 2.32 H new ATOM 0 HE1 PHE A 118 14.794 10.934 7.259 1.00 3.18 H new ATOM 0 HE2 PHE A 118 10.897 9.298 7.808 1.00 3.21 H new ATOM 0 HZ PHE A 118 12.935 10.409 8.728 1.00 3.54 H new ATOM 1897 N ASP A 119 12.458 9.771 0.289 1.00 0.66 N ATOM 1898 CA ASP A 119 12.742 9.414 -1.102 1.00 0.75 C ATOM 1899 C ASP A 119 13.349 10.609 -1.825 1.00 0.74 C ATOM 1900 O ASP A 119 14.387 10.508 -2.475 1.00 0.83 O ATOM 1901 CB ASP A 119 11.465 8.991 -1.834 1.00 0.94 C ATOM 1902 CG ASP A 119 10.661 7.928 -1.101 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.545 7.612 -1.560 1.00 1.75 O ATOM 1904 OD2 ASP A 119 11.116 7.439 -0.042 1.00 1.81 O ATOM 0 H ASP A 119 11.473 9.950 0.483 1.00 0.66 H new ATOM 0 HA ASP A 119 13.441 8.578 -1.099 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.836 9.869 -1.985 1.00 0.94 H new ATOM 0 HB3 ASP A 119 11.731 8.615 -2.822 1.00 0.94 H new ATOM 1909 N ARG A 120 12.675 11.746 -1.677 1.00 0.76 N ATOM 1910 CA ARG A 120 13.101 13.025 -2.247 1.00 0.89 C ATOM 1911 C ARG A 120 14.490 13.418 -1.743 1.00 0.83 C ATOM 1912 O ARG A 120 15.160 14.271 -2.325 1.00 1.00 O ATOM 1913 CB ARG A 120 12.082 14.108 -1.878 1.00 1.07 C ATOM 1914 CG ARG A 120 12.376 15.477 -2.472 1.00 1.50 C ATOM 1915 CD ARG A 120 11.383 16.513 -1.977 1.00 1.71 C ATOM 1916 NE ARG A 120 11.654 17.847 -2.512 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.400 18.970 -1.847 1.00 2.66 C ATOM 1918 NH1 ARG A 120 10.917 18.916 -0.613 1.00 2.90 N ATOM 1919 NH2 ARG A 120 11.632 20.149 -2.403 1.00 3.38 N ATOM 0 H ARG A 120 11.804 11.808 -1.150 1.00 0.76 H new ATOM 0 HA ARG A 120 13.155 12.923 -3.331 1.00 0.89 H new ATOM 0 HB2 ARG A 120 11.094 13.787 -2.208 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.042 14.197 -0.792 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.388 15.783 -2.206 1.00 1.50 H new ATOM 0 HG3 ARG A 120 12.336 15.421 -3.560 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.375 16.210 -2.259 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.412 16.549 -0.888 1.00 1.71 H new ATOM 0 HE ARG A 120 12.060 17.920 -3.445 1.00 2.15 H new ATOM 0 HH11 ARG A 120 10.740 18.013 -0.174 1.00 2.90 H new ATOM 0 HH12 ARG A 120 10.722 19.778 -0.103 1.00 2.90 H new ATOM 0 HH21 ARG A 120 12.009 20.201 -3.349 1.00 3.38 H new ATOM 0 HH22 ARG A 120 11.434 21.005 -1.885 1.00 3.38 H new ATOM 1933 N MET A 121 14.898 12.787 -0.644 1.00 0.73 N ATOM 1934 CA MET A 121 16.157 13.077 0.048 1.00 0.91 C ATOM 1935 C MET A 121 17.392 12.720 -0.802 1.00 1.12 C ATOM 1936 O MET A 121 18.494 12.533 -0.286 1.00 1.41 O ATOM 1937 CB MET A 121 16.181 12.290 1.361 1.00 1.05 C ATOM 1938 CG MET A 121 17.314 12.671 2.299 1.00 1.28 C ATOM 1939 SD MET A 121 17.373 11.633 3.769 1.00 2.15 S ATOM 1940 CE MET A 121 18.819 12.305 4.585 1.00 2.43 C ATOM 0 H MET A 121 14.355 12.046 -0.200 1.00 0.73 H new ATOM 0 HA MET A 121 16.205 14.149 0.237 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.232 12.438 1.877 1.00 1.05 H new ATOM 0 HB3 MET A 121 16.256 11.227 1.132 1.00 1.05 H new ATOM 0 HG2 MET A 121 18.262 12.596 1.767 1.00 1.28 H new ATOM 0 HG3 MET A 121 17.198 13.713 2.598 1.00 1.28 H new ATOM 0 HE1 MET A 121 18.993 11.768 5.517 1.00 2.43 H new ATOM 0 HE2 MET A 121 19.687 12.196 3.935 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.658 13.361 4.800 1.00 2.43 H new ATOM 1950 N GLY A 122 17.214 12.609 -2.099 1.00 1.18 N ATOM 1951 CA GLY A 122 18.344 12.447 -2.972 1.00 1.61 C ATOM 1952 C GLY A 122 17.984 11.716 -4.230 1.00 1.21 C ATOM 1953 O GLY A 122 17.066 10.899 -4.238 1.00 1.30 O ATOM 0 H GLY A 122 16.307 12.628 -2.564 1.00 1.18 H new ATOM 0 HA2 GLY A 122 18.749 13.427 -3.226 1.00 1.61 H new ATOM 0 HA3 GLY A 122 19.130 11.903 -2.449 1.00 1.61 H new ATOM 1957 N THR A 123 18.703 12.015 -5.293 1.00 1.27 N ATOM 1958 CA THR A 123 18.524 11.332 -6.555 1.00 1.42 C ATOM 1959 C THR A 123 18.802 9.840 -6.376 1.00 1.27 C ATOM 1960 O THR A 123 18.130 8.989 -6.962 1.00 1.24 O ATOM 1961 CB THR A 123 19.468 11.928 -7.612 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.409 13.361 -7.544 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.089 11.472 -9.011 1.00 2.58 C ATOM 0 H THR A 123 19.425 12.736 -5.305 1.00 1.27 H new ATOM 0 HA THR A 123 17.496 11.462 -6.893 1.00 1.42 H new ATOM 0 HB THR A 123 20.480 11.581 -7.404 1.00 1.94 H new ATOM 0 HG1 THR A 123 20.011 13.745 -8.215 1.00 2.44 H new ATOM 0 HG21 THR A 123 19.775 11.911 -9.735 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.148 10.385 -9.068 1.00 2.58 H new ATOM 0 HG23 THR A 123 18.072 11.793 -9.235 1.00 2.58 H new ATOM 1971 N LYS A 124 19.780 9.539 -5.526 1.00 1.28 N ATOM 1972 CA LYS A 124 20.127 8.166 -5.194 1.00 1.24 C ATOM 1973 C LYS A 124 19.044 7.538 -4.321 1.00 1.05 C ATOM 1974 O LYS A 124 18.691 6.372 -4.500 1.00 1.04 O ATOM 1975 CB LYS A 124 21.480 8.130 -4.482 1.00 1.43 C ATOM 1976 CG LYS A 124 22.020 6.733 -4.241 1.00 2.04 C ATOM 1977 CD LYS A 124 23.461 6.781 -3.763 1.00 2.45 C ATOM 1978 CE LYS A 124 24.065 5.392 -3.659 1.00 3.14 C ATOM 1979 NZ LYS A 124 25.537 5.448 -3.465 1.00 3.80 N ATOM 0 H LYS A 124 20.350 10.239 -5.051 1.00 1.28 H new ATOM 0 HA LYS A 124 20.199 7.587 -6.115 1.00 1.24 H new ATOM 0 HB2 LYS A 124 22.204 8.690 -5.074 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.387 8.642 -3.524 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.404 6.224 -3.500 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.957 6.151 -5.161 1.00 2.04 H new ATOM 0 HD2 LYS A 124 24.053 7.384 -4.451 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.506 7.271 -2.790 1.00 2.45 H new ATOM 0 HE2 LYS A 124 23.608 4.857 -2.826 1.00 3.14 H new ATOM 0 HE3 LYS A 124 23.838 4.827 -4.563 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 25.915 4.482 -3.398 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 25.975 5.936 -4.272 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 25.752 5.965 -2.589 1.00 3.80 H new ATOM 1993 N HIS A 125 18.501 8.322 -3.387 1.00 0.96 N ATOM 1994 CA HIS A 125 17.412 7.846 -2.539 1.00 0.85 C ATOM 1995 C HIS A 125 16.177 7.542 -3.373 1.00 0.76 C ATOM 1996 O HIS A 125 15.557 6.496 -3.232 1.00 0.76 O ATOM 1997 CB HIS A 125 17.068 8.877 -1.462 1.00 0.85 C ATOM 1998 CG HIS A 125 17.892 8.749 -0.219 1.00 1.23 C ATOM 1999 ND1 HIS A 125 17.378 8.943 1.042 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.198 8.440 -0.048 1.00 1.80 C ATOM 2001 CE1 HIS A 125 18.332 8.758 1.935 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.449 8.449 1.300 1.00 2.12 N ATOM 0 H HIS A 125 18.796 9.281 -3.201 1.00 0.96 H new ATOM 0 HA HIS A 125 17.745 6.930 -2.052 1.00 0.85 H new ATOM 0 HB2 HIS A 125 17.201 9.877 -1.874 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.015 8.778 -1.200 1.00 0.85 H new ATOM 0 HD1 HIS A 125 16.411 9.191 1.254 1.00 1.80 H new ATOM 0 HD2 HIS A 125 19.912 8.226 -0.830 1.00 1.80 H new ATOM 0 HE1 HIS A 125 18.219 8.845 3.006 1.00 2.14 H new ATOM 2011 N ALA A 126 15.841 8.454 -4.261 1.00 0.77 N ATOM 2012 CA ALA A 126 14.681 8.293 -5.117 1.00 0.80 C ATOM 2013 C ALA A 126 14.874 7.139 -6.101 1.00 0.86 C ATOM 2014 O ALA A 126 13.917 6.465 -6.482 1.00 0.92 O ATOM 2015 CB ALA A 126 14.407 9.592 -5.845 1.00 0.92 C ATOM 0 H ALA A 126 16.358 9.321 -4.410 1.00 0.77 H new ATOM 0 HA ALA A 126 13.819 8.045 -4.498 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.535 9.472 -6.488 1.00 0.92 H new ATOM 0 HB2 ALA A 126 14.216 10.383 -5.119 1.00 0.92 H new ATOM 0 HB3 ALA A 126 15.272 9.858 -6.452 1.00 0.92 H new ATOM 2021 N LYS A 127 16.122 6.915 -6.501 1.00 0.92 N ATOM 2022 CA LYS A 127 16.467 5.816 -7.399 1.00 1.05 C ATOM 2023 C LYS A 127 16.282 4.470 -6.699 1.00 0.97 C ATOM 2024 O LYS A 127 15.815 3.505 -7.303 1.00 1.04 O ATOM 2025 CB LYS A 127 17.919 5.964 -7.877 1.00 1.26 C ATOM 2026 CG LYS A 127 18.438 4.789 -8.700 1.00 1.55 C ATOM 2027 CD LYS A 127 17.731 4.663 -10.043 1.00 1.93 C ATOM 2028 CE LYS A 127 18.034 5.844 -10.952 1.00 2.38 C ATOM 2029 NZ LYS A 127 17.486 5.647 -12.319 1.00 2.83 N ATOM 0 H LYS A 127 16.918 7.485 -6.215 1.00 0.92 H new ATOM 0 HA LYS A 127 15.801 5.852 -8.261 1.00 1.05 H new ATOM 0 HB2 LYS A 127 18.001 6.873 -8.473 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.563 6.094 -7.007 1.00 1.26 H new ATOM 0 HG2 LYS A 127 19.508 4.910 -8.866 1.00 1.55 H new ATOM 0 HG3 LYS A 127 18.305 3.866 -8.135 1.00 1.55 H new ATOM 0 HD2 LYS A 127 18.040 3.739 -10.532 1.00 1.93 H new ATOM 0 HD3 LYS A 127 16.655 4.594 -9.883 1.00 1.93 H new ATOM 0 HE2 LYS A 127 17.613 6.752 -10.520 1.00 2.38 H new ATOM 0 HE3 LYS A 127 19.113 5.989 -11.011 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 17.714 6.474 -12.907 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 17.906 4.795 -12.742 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 16.454 5.534 -12.266 1.00 2.83 H new ATOM 2043 N ARG A 128 16.652 4.414 -5.424 1.00 0.94 N ATOM 2044 CA ARG A 128 16.582 3.173 -4.664 1.00 1.00 C ATOM 2045 C ARG A 128 15.149 2.841 -4.254 1.00 0.97 C ATOM 2046 O ARG A 128 14.842 1.693 -3.961 1.00 1.09 O ATOM 2047 CB ARG A 128 17.494 3.214 -3.431 1.00 1.14 C ATOM 2048 CG ARG A 128 17.049 4.188 -2.358 1.00 1.11 C ATOM 2049 CD ARG A 128 18.017 4.218 -1.191 1.00 1.34 C ATOM 2050 NE ARG A 128 18.022 2.965 -0.437 1.00 1.59 N ATOM 2051 CZ ARG A 128 18.895 2.690 0.536 1.00 1.95 C ATOM 2052 NH1 ARG A 128 19.862 3.554 0.823 1.00 2.14 N ATOM 2053 NH2 ARG A 128 18.812 1.546 1.211 1.00 2.59 N ATOM 0 H ARG A 128 17.003 5.213 -4.896 1.00 0.94 H new ATOM 0 HA ARG A 128 16.937 2.381 -5.324 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.546 2.215 -2.999 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.503 3.477 -3.748 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.964 5.187 -2.786 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.058 3.909 -2.001 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.022 4.420 -1.562 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.752 5.039 -0.524 1.00 1.34 H new ATOM 0 HE ARG A 128 17.320 2.262 -0.667 1.00 1.59 H new ATOM 0 HH11 ARG A 128 19.938 4.427 0.301 1.00 2.14 H new ATOM 0 HH12 ARG A 128 20.529 3.345 1.566 1.00 2.14 H new ATOM 0 HH21 ARG A 128 18.079 0.873 0.986 1.00 2.59 H new ATOM 0 HH22 ARG A 128 19.482 1.342 1.953 1.00 2.59 H new ATOM 2067 N VAL A 129 14.295 3.850 -4.154 1.00 0.91 N ATOM 2068 CA VAL A 129 12.903 3.613 -3.784 1.00 1.04 C ATOM 2069 C VAL A 129 12.020 3.210 -4.971 1.00 1.04 C ATOM 2070 O VAL A 129 11.345 2.177 -4.922 1.00 1.19 O ATOM 2071 CB VAL A 129 12.270 4.847 -3.104 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.833 4.557 -2.701 1.00 1.43 C ATOM 2073 CG2 VAL A 129 13.080 5.282 -1.898 1.00 1.48 C ATOM 0 H VAL A 129 14.534 4.827 -4.321 1.00 0.91 H new ATOM 0 HA VAL A 129 12.941 2.779 -3.083 1.00 1.04 H new ATOM 0 HB VAL A 129 12.271 5.664 -3.825 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.404 5.438 -2.224 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.251 4.305 -3.587 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.813 3.720 -2.003 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.611 6.153 -1.439 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.120 4.468 -1.174 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.092 5.539 -2.212 1.00 1.48 H new ATOM 2083 N ARG A 130 12.011 4.031 -6.023 1.00 0.99 N ATOM 2084 CA ARG A 130 11.013 3.896 -7.091 1.00 1.14 C ATOM 2085 C ARG A 130 11.115 2.559 -7.821 1.00 1.05 C ATOM 2086 O ARG A 130 10.136 2.086 -8.403 1.00 1.24 O ATOM 2087 CB ARG A 130 11.117 5.041 -8.098 1.00 1.30 C ATOM 2088 CG ARG A 130 9.938 5.069 -9.050 1.00 1.75 C ATOM 2089 CD ARG A 130 9.995 6.229 -10.022 1.00 1.86 C ATOM 2090 NE ARG A 130 8.716 6.396 -10.708 1.00 2.36 N ATOM 2091 CZ ARG A 130 8.588 6.680 -12.001 1.00 2.92 C ATOM 2092 NH1 ARG A 130 9.667 6.789 -12.767 1.00 3.04 N ATOM 2093 NH2 ARG A 130 7.377 6.831 -12.529 1.00 3.83 N ATOM 0 H ARG A 130 12.677 4.791 -6.160 1.00 0.99 H new ATOM 0 HA ARG A 130 10.040 3.937 -6.602 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.174 5.989 -7.564 1.00 1.30 H new ATOM 0 HB3 ARG A 130 12.041 4.940 -8.668 1.00 1.30 H new ATOM 0 HG2 ARG A 130 9.906 4.134 -9.609 1.00 1.75 H new ATOM 0 HG3 ARG A 130 9.014 5.128 -8.475 1.00 1.75 H new ATOM 0 HD2 ARG A 130 10.248 7.145 -9.488 1.00 1.86 H new ATOM 0 HD3 ARG A 130 10.785 6.058 -10.753 1.00 1.86 H new ATOM 0 HE ARG A 130 7.864 6.287 -10.158 1.00 2.36 H new ATOM 0 HH11 ARG A 130 10.594 6.655 -12.364 1.00 3.04 H new ATOM 0 HH12 ARG A 130 9.569 7.007 -13.759 1.00 3.04 H new ATOM 0 HH21 ARG A 130 6.549 6.729 -11.943 1.00 3.83 H new ATOM 0 HH22 ARG A 130 7.276 7.049 -13.520 1.00 3.83 H new ATOM 2107 N ASN A 131 12.292 1.952 -7.775 1.00 0.85 N ATOM 2108 CA ASN A 131 12.527 0.644 -8.393 1.00 0.88 C ATOM 2109 C ASN A 131 11.542 -0.409 -7.886 1.00 1.08 C ATOM 2110 O ASN A 131 11.305 -1.424 -8.546 1.00 1.24 O ATOM 2111 CB ASN A 131 13.965 0.184 -8.116 1.00 0.88 C ATOM 2112 CG ASN A 131 14.354 0.305 -6.660 1.00 1.70 C ATOM 2113 OD1 ASN A 131 13.546 0.095 -5.765 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.604 0.642 -6.416 1.00 2.04 N ATOM 0 H ASN A 131 13.111 2.346 -7.312 1.00 0.85 H new ATOM 0 HA ASN A 131 12.375 0.755 -9.467 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.076 -0.854 -8.431 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.653 0.776 -8.720 1.00 0.88 H new ATOM 0 HD21 ASN A 131 15.928 0.736 -5.453 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.248 0.809 -7.190 1.00 2.04 H new ATOM 2121 N GLY A 132 10.975 -0.168 -6.714 1.00 1.23 N ATOM 2122 CA GLY A 132 10.112 -1.144 -6.108 1.00 1.61 C ATOM 2123 C GLY A 132 8.636 -0.858 -6.287 1.00 1.21 C ATOM 2124 O GLY A 132 8.048 -1.178 -7.319 1.00 1.24 O ATOM 0 H GLY A 132 11.101 0.689 -6.176 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.335 -2.124 -6.531 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.334 -1.198 -5.042 1.00 1.61 H new ATOM 2128 N MET A 133 8.037 -0.241 -5.282 1.00 1.24 N ATOM 2129 CA MET A 133 6.582 -0.201 -5.177 1.00 1.38 C ATOM 2130 C MET A 133 5.951 0.849 -6.087 1.00 1.35 C ATOM 2131 O MET A 133 4.818 0.679 -6.530 1.00 1.56 O ATOM 2132 CB MET A 133 6.179 0.036 -3.721 1.00 2.06 C ATOM 2133 CG MET A 133 4.680 0.012 -3.470 1.00 2.92 C ATOM 2134 SD MET A 133 4.274 0.239 -1.728 1.00 3.99 S ATOM 2135 CE MET A 133 5.003 -1.230 -1.009 1.00 4.83 C ATOM 0 H MET A 133 8.530 0.238 -4.529 1.00 1.24 H new ATOM 0 HA MET A 133 6.203 -1.166 -5.513 1.00 1.38 H new ATOM 0 HB2 MET A 133 6.651 -0.724 -3.098 1.00 2.06 H new ATOM 0 HB3 MET A 133 6.573 1.001 -3.401 1.00 2.06 H new ATOM 0 HG2 MET A 133 4.203 0.797 -4.057 1.00 2.92 H new ATOM 0 HG3 MET A 133 4.271 -0.938 -3.815 1.00 2.92 H new ATOM 0 HE1 MET A 133 4.550 -1.422 -0.036 1.00 4.83 H new ATOM 0 HE2 MET A 133 4.827 -2.082 -1.666 1.00 4.83 H new ATOM 0 HE3 MET A 133 6.076 -1.081 -0.887 1.00 4.83 H new ATOM 2145 N ASP A 134 6.691 1.909 -6.396 1.00 1.38 N ATOM 2146 CA ASP A 134 6.132 3.036 -7.150 1.00 1.84 C ATOM 2147 C ASP A 134 5.739 2.621 -8.568 1.00 1.95 C ATOM 2148 O ASP A 134 4.900 3.254 -9.201 1.00 2.41 O ATOM 2149 CB ASP A 134 7.126 4.199 -7.203 1.00 2.05 C ATOM 2150 CG ASP A 134 6.502 5.475 -7.746 1.00 2.29 C ATOM 2151 OD1 ASP A 134 5.754 6.154 -7.007 1.00 2.83 O ATOM 2152 OD2 ASP A 134 6.754 5.803 -8.923 1.00 2.28 O ATOM 0 H ASP A 134 7.673 2.015 -6.140 1.00 1.38 H new ATOM 0 HA ASP A 134 5.232 3.362 -6.629 1.00 1.84 H new ATOM 0 HB2 ASP A 134 7.515 4.386 -6.202 1.00 2.05 H new ATOM 0 HB3 ASP A 134 7.974 3.919 -7.827 1.00 2.05 H new ATOM 2157 N LYS A 135 6.333 1.539 -9.053 1.00 1.70 N ATOM 2158 CA LYS A 135 6.034 1.041 -10.390 1.00 2.03 C ATOM 2159 C LYS A 135 4.733 0.247 -10.429 1.00 1.70 C ATOM 2160 O LYS A 135 4.166 0.020 -11.499 1.00 2.17 O ATOM 2161 CB LYS A 135 7.186 0.178 -10.900 1.00 2.40 C ATOM 2162 CG LYS A 135 8.133 0.914 -11.836 1.00 3.08 C ATOM 2163 CD LYS A 135 7.611 0.947 -13.270 1.00 3.44 C ATOM 2164 CE LYS A 135 6.307 1.726 -13.405 1.00 3.61 C ATOM 2165 NZ LYS A 135 5.829 1.749 -14.809 1.00 4.15 N ATOM 0 H LYS A 135 7.024 0.990 -8.542 1.00 1.70 H new ATOM 0 HA LYS A 135 5.910 1.908 -11.039 1.00 2.03 H new ATOM 0 HB2 LYS A 135 7.751 -0.198 -10.048 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.777 -0.689 -11.419 1.00 2.40 H new ATOM 0 HG2 LYS A 135 8.275 1.934 -11.479 1.00 3.08 H new ATOM 0 HG3 LYS A 135 9.110 0.430 -11.817 1.00 3.08 H new ATOM 0 HD2 LYS A 135 8.366 1.395 -13.916 1.00 3.44 H new ATOM 0 HD3 LYS A 135 7.457 -0.074 -13.620 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.546 1.276 -12.768 1.00 3.61 H new ATOM 0 HE3 LYS A 135 6.454 2.747 -13.053 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 4.941 2.287 -14.864 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 6.546 2.201 -15.412 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 5.665 0.775 -15.136 1.00 4.15 H new ATOM 2179 N GLY A 136 4.254 -0.152 -9.266 1.00 1.04 N ATOM 2180 CA GLY A 136 3.062 -0.961 -9.191 1.00 0.79 C ATOM 2181 C GLY A 136 1.959 -0.245 -8.459 1.00 0.65 C ATOM 2182 O GLY A 136 0.800 -0.610 -8.575 1.00 0.57 O ATOM 0 H GLY A 136 4.674 0.073 -8.364 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.728 -1.215 -10.197 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.288 -1.899 -8.684 1.00 0.79 H new ATOM 2186 N TRP A 137 2.334 0.788 -7.721 1.00 0.68 N ATOM 2187 CA TRP A 137 1.403 1.572 -6.919 1.00 0.67 C ATOM 2188 C TRP A 137 0.249 2.122 -7.774 1.00 0.57 C ATOM 2189 O TRP A 137 -0.914 1.873 -7.461 1.00 0.56 O ATOM 2190 CB TRP A 137 2.174 2.704 -6.227 1.00 0.81 C ATOM 2191 CG TRP A 137 1.465 3.328 -5.068 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.026 4.617 -4.971 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.130 2.694 -3.830 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.447 4.825 -3.744 1.00 1.62 N ATOM 2195 CE2 TRP A 137 0.495 3.658 -3.027 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.307 1.405 -3.324 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.035 3.370 -1.745 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 0.850 1.120 -2.053 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.222 2.099 -1.276 1.00 2.32 C ATOM 0 H TRP A 137 3.300 1.110 -7.660 1.00 0.68 H new ATOM 0 HA TRP A 137 0.952 0.929 -6.163 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.132 2.314 -5.882 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.391 3.479 -6.962 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.120 5.363 -5.746 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.046 5.705 -3.419 1.00 1.62 H new ATOM 0 HE3 TRP A 137 1.793 0.644 -3.917 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.452 4.123 -1.143 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 0.979 0.125 -1.652 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.123 1.846 -0.284 1.00 2.32 H new ATOM 2210 N PRO A 138 0.530 2.853 -8.880 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.523 3.315 -9.790 1.00 0.61 C ATOM 2212 C PRO A 138 -1.301 2.146 -10.390 1.00 0.58 C ATOM 2213 O PRO A 138 -2.508 2.234 -10.604 1.00 0.64 O ATOM 2214 CB PRO A 138 0.235 4.076 -10.886 1.00 0.68 C ATOM 2215 CG PRO A 138 1.647 3.622 -10.772 1.00 0.66 C ATOM 2216 CD PRO A 138 1.859 3.310 -9.321 1.00 0.63 C ATOM 0 HA PRO A 138 -1.263 3.930 -9.278 1.00 0.61 H new ATOM 0 HB2 PRO A 138 -0.172 3.854 -11.873 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.155 5.154 -10.744 1.00 0.68 H new ATOM 0 HG2 PRO A 138 1.827 2.743 -11.391 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.335 4.396 -11.110 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.617 2.540 -9.181 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.189 4.187 -8.764 1.00 0.63 H new ATOM 2224 N THR A 139 -0.599 1.047 -10.633 1.00 0.57 N ATOM 2225 CA THR A 139 -1.207 -0.148 -11.196 1.00 0.62 C ATOM 2226 C THR A 139 -2.211 -0.760 -10.202 1.00 0.54 C ATOM 2227 O THR A 139 -3.383 -1.032 -10.536 1.00 0.55 O ATOM 2228 CB THR A 139 -0.103 -1.169 -11.555 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.816 -0.590 -12.494 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.689 -2.447 -12.132 1.00 0.87 C ATOM 0 H THR A 139 0.400 0.960 -10.447 1.00 0.57 H new ATOM 0 HA THR A 139 -1.751 0.119 -12.102 1.00 0.62 H new ATOM 0 HB THR A 139 0.424 -1.424 -10.636 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.513 -1.243 -12.715 1.00 0.81 H new ATOM 0 HG21 THR A 139 0.117 -3.141 -12.372 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.355 -2.904 -11.401 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.249 -2.214 -13.038 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.746 -0.933 -8.967 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.570 -1.445 -7.888 1.00 0.47 C ATOM 2240 C ILE A 140 -3.808 -0.595 -7.734 1.00 0.42 C ATOM 2241 O ILE A 140 -4.915 -1.100 -7.788 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.827 -1.446 -6.536 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.579 -2.322 -6.590 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.755 -1.916 -5.422 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.163 -2.367 -5.275 1.00 0.72 C ATOM 0 H ILE A 140 -0.787 -0.721 -8.692 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.827 -2.471 -8.151 1.00 0.47 H new ATOM 0 HB ILE A 140 -1.511 -0.424 -6.326 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.864 -3.335 -6.876 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.089 -1.948 -7.366 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -2.217 -1.912 -4.474 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -3.612 -1.246 -5.356 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -3.100 -2.927 -5.638 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.041 -3.005 -5.374 1.00 0.72 H new ATOM 0 HD12 ILE A 140 0.476 -1.360 -4.999 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.492 -2.769 -4.501 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.596 0.698 -7.567 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.664 1.646 -7.310 1.00 0.36 C ATOM 2259 C LEU A 141 -5.751 1.631 -8.377 1.00 0.38 C ATOM 2260 O LEU A 141 -6.898 1.972 -8.090 1.00 0.42 O ATOM 2261 CB LEU A 141 -4.069 3.037 -7.165 1.00 0.38 C ATOM 2262 CG LEU A 141 -3.615 3.400 -5.751 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.774 2.306 -5.117 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -2.867 4.722 -5.778 1.00 0.56 C ATOM 0 H LEU A 141 -2.670 1.123 -7.606 1.00 0.39 H new ATOM 0 HA LEU A 141 -5.154 1.347 -6.383 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.216 3.123 -7.838 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.808 3.768 -7.492 1.00 0.38 H new ATOM 0 HG LEU A 141 -4.503 3.504 -5.128 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -2.476 2.611 -4.114 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -3.357 1.387 -5.059 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -1.884 2.134 -5.723 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.545 4.978 -4.769 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -1.995 4.634 -6.426 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.524 5.504 -6.159 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.408 1.246 -9.599 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.416 1.108 -10.641 1.00 0.48 C ATOM 2278 C GLN A 142 -7.315 -0.075 -10.323 1.00 0.47 C ATOM 2279 O GLN A 142 -8.532 0.067 -10.222 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.780 0.925 -12.022 1.00 0.58 C ATOM 2281 CG GLN A 142 -4.918 2.092 -12.477 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.662 3.413 -12.490 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.275 3.792 -13.487 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.601 4.132 -11.382 1.00 0.77 N ATOM 0 H GLN A 142 -4.455 1.027 -9.890 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.005 2.025 -10.667 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -5.170 0.022 -12.011 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.571 0.766 -12.755 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -4.053 2.176 -11.818 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.538 1.886 -13.478 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.082 3.783 -10.576 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -6.073 5.035 -11.334 1.00 0.77 H new ATOM 2293 N SER A 143 -6.707 -1.237 -10.117 1.00 0.49 N ATOM 2294 CA SER A 143 -7.480 -2.432 -9.785 1.00 0.53 C ATOM 2295 C SER A 143 -8.065 -2.325 -8.373 1.00 0.45 C ATOM 2296 O SER A 143 -9.065 -2.962 -8.049 1.00 0.46 O ATOM 2297 CB SER A 143 -6.606 -3.672 -9.911 1.00 0.64 C ATOM 2298 OG SER A 143 -7.347 -4.845 -9.642 1.00 1.15 O ATOM 0 H SER A 143 -5.698 -1.379 -10.172 1.00 0.49 H new ATOM 0 HA SER A 143 -8.309 -2.516 -10.488 1.00 0.53 H new ATOM 0 HB2 SER A 143 -6.187 -3.725 -10.916 1.00 0.64 H new ATOM 0 HB3 SER A 143 -5.767 -3.601 -9.219 1.00 0.64 H new ATOM 0 HG SER A 143 -8.196 -4.815 -10.131 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.426 -1.508 -7.553 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.896 -1.193 -6.213 1.00 0.36 C ATOM 2306 C PHE A 144 -9.291 -0.589 -6.293 1.00 0.32 C ATOM 2307 O PHE A 144 -10.229 -1.074 -5.669 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.908 -0.206 -5.575 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.224 0.224 -4.170 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.732 -0.488 -3.092 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.988 1.356 -3.928 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -6.998 -0.086 -1.798 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -8.260 1.760 -2.635 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.762 1.039 -1.569 1.00 0.78 C ATOM 0 H PHE A 144 -6.555 -1.039 -7.801 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.951 -2.094 -5.602 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.917 -0.659 -5.581 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.856 0.683 -6.203 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.132 -1.370 -3.264 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -8.374 1.928 -4.759 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -6.608 -0.653 -0.965 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.862 2.639 -2.459 1.00 0.68 H new ATOM 0 HZ PHE A 144 -7.970 1.355 -0.557 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.418 0.447 -7.108 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.699 1.116 -7.316 1.00 0.31 C ATOM 2326 C GLN A 145 -11.635 0.235 -8.140 1.00 0.35 C ATOM 2327 O GLN A 145 -12.853 0.390 -8.091 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.474 2.455 -8.016 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.813 3.491 -7.123 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.218 4.645 -7.900 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.886 5.642 -8.177 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.945 4.527 -8.237 1.00 0.66 N ATOM 0 H GLN A 145 -8.646 0.847 -7.641 1.00 0.29 H new ATOM 0 HA GLN A 145 -11.165 1.296 -6.347 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.855 2.297 -8.899 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.432 2.842 -8.364 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.548 3.876 -6.416 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -9.029 3.011 -6.537 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.428 3.684 -7.988 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.480 5.279 -8.746 1.00 0.66 H new ATOM 2341 N ASP A 146 -11.049 -0.697 -8.888 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.814 -1.593 -9.752 1.00 0.43 C ATOM 2343 C ASP A 146 -12.507 -2.684 -8.956 1.00 0.40 C ATOM 2344 O ASP A 146 -13.711 -2.888 -9.103 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.906 -2.213 -10.814 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.681 -2.929 -11.903 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.775 -2.400 -13.024 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -12.206 -4.033 -11.634 1.00 1.46 O ATOM 0 H ASP A 146 -10.041 -0.852 -8.913 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.584 -0.998 -10.242 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.294 -1.431 -11.264 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.224 -2.917 -10.337 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.759 -3.393 -8.123 1.00 0.42 N ATOM 2354 CA LYS A 147 -12.350 -4.427 -7.306 1.00 0.51 C ATOM 2355 C LYS A 147 -13.294 -3.804 -6.278 1.00 0.48 C ATOM 2356 O LYS A 147 -14.369 -4.334 -6.014 1.00 0.58 O ATOM 2357 CB LYS A 147 -11.272 -5.239 -6.601 1.00 0.64 C ATOM 2358 CG LYS A 147 -11.549 -6.738 -6.611 1.00 0.92 C ATOM 2359 CD LYS A 147 -12.984 -7.041 -6.212 1.00 1.03 C ATOM 2360 CE LYS A 147 -13.281 -8.528 -6.225 1.00 1.25 C ATOM 2361 NZ LYS A 147 -14.743 -8.786 -6.132 1.00 1.74 N ATOM 0 H LYS A 147 -10.754 -3.269 -8.000 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.917 -5.097 -7.953 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.312 -5.050 -7.080 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -11.186 -4.899 -5.569 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -11.354 -7.139 -7.606 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -10.866 -7.240 -5.926 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -13.174 -6.643 -5.215 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -13.664 -6.530 -6.894 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -12.888 -8.972 -7.140 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -12.770 -9.011 -5.392 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -14.904 -9.776 -5.856 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -15.162 -8.155 -5.419 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -15.186 -8.608 -7.056 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.890 -2.670 -5.713 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.741 -1.927 -4.787 1.00 0.40 C ATOM 2377 C ILE A 148 -15.057 -1.551 -5.455 1.00 0.42 C ATOM 2378 O ILE A 148 -16.116 -1.545 -4.825 1.00 0.50 O ATOM 2379 CB ILE A 148 -13.031 -0.655 -4.276 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -12.010 -1.024 -3.203 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.026 0.359 -3.739 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.239 0.157 -2.661 1.00 0.37 C ATOM 0 H ILE A 148 -11.978 -2.245 -5.880 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.946 -2.574 -3.934 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.514 -0.194 -5.117 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.525 -1.518 -2.379 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.306 -1.746 -3.618 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.492 1.242 -3.388 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.718 0.645 -4.531 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.583 -0.081 -2.912 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.534 -0.185 -1.904 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.694 0.639 -3.473 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.932 0.870 -2.215 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.982 -1.258 -6.742 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.161 -0.929 -7.522 1.00 0.49 C ATOM 2396 C ASP A 149 -17.129 -2.109 -7.528 1.00 0.55 C ATOM 2397 O ASP A 149 -18.342 -1.926 -7.468 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.754 -0.557 -8.949 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.871 0.097 -9.731 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.569 0.965 -9.173 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.081 -0.284 -10.899 1.00 0.77 O ATOM 0 H ASP A 149 -14.110 -1.242 -7.271 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.663 -0.073 -7.070 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.899 0.119 -8.913 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.428 -1.455 -9.474 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.572 -3.318 -7.545 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.364 -4.550 -7.533 1.00 0.68 C ATOM 2408 C GLU A 150 -18.070 -4.726 -6.196 1.00 0.75 C ATOM 2409 O GLU A 150 -19.117 -5.368 -6.103 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.475 -5.772 -7.775 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.800 -5.798 -9.132 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.897 -7.001 -9.303 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -13.892 -6.899 -10.037 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -15.185 -8.057 -8.700 1.00 1.50 O ATOM 0 H GLU A 150 -15.564 -3.473 -7.567 1.00 0.57 H new ATOM 0 HA GLU A 150 -18.102 -4.468 -8.331 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.708 -5.807 -7.001 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -17.079 -6.673 -7.666 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -16.560 -5.803 -9.913 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -15.216 -4.887 -9.262 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.487 -4.154 -5.162 1.00 0.72 N ATOM 2422 CA GLU A 151 -18.006 -4.306 -3.818 1.00 0.84 C ATOM 2423 C GLU A 151 -19.032 -3.215 -3.519 1.00 0.88 C ATOM 2424 O GLU A 151 -19.523 -3.102 -2.394 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.861 -4.235 -2.804 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.635 -5.056 -3.185 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.913 -6.542 -3.311 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.985 -7.052 -4.452 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -16.034 -7.218 -2.269 1.00 1.63 O ATOM 0 H GLU A 151 -16.649 -3.576 -5.228 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.493 -5.278 -3.740 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.563 -3.194 -2.682 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.227 -4.577 -1.836 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.241 -4.687 -4.132 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.858 -4.903 -2.436 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.359 -2.414 -4.531 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.267 -1.309 -4.319 1.00 0.96 C ATOM 2438 C GLY A 152 -21.141 -0.988 -5.519 1.00 1.04 C ATOM 2439 O GLY A 152 -22.312 -1.365 -5.560 1.00 1.32 O ATOM 0 H GLY A 152 -19.012 -2.513 -5.485 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.907 -1.537 -3.467 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.689 -0.423 -4.056 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.577 -0.295 -6.500 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.363 0.228 -7.616 1.00 1.47 C ATOM 2445 C ALA A 153 -21.515 -0.803 -8.729 1.00 1.29 C ATOM 2446 O ALA A 153 -22.607 -1.011 -9.259 1.00 1.70 O ATOM 2447 CB ALA A 153 -20.729 1.501 -8.153 1.00 1.92 C ATOM 0 H ALA A 153 -19.581 -0.081 -6.548 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.361 0.457 -7.243 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -21.323 1.881 -8.984 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -20.690 2.250 -7.362 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -19.718 1.286 -8.499 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.417 -1.445 -9.074 1.00 1.09 N ATOM 2454 CA LYS A 154 -20.401 -2.449 -10.123 1.00 1.02 C ATOM 2455 C LYS A 154 -20.740 -3.816 -9.541 1.00 1.38 C ATOM 2456 O LYS A 154 -20.000 -4.358 -8.731 1.00 2.04 O ATOM 2457 CB LYS A 154 -19.023 -2.460 -10.781 1.00 0.91 C ATOM 2458 CG LYS A 154 -18.769 -3.628 -11.711 1.00 1.02 C ATOM 2459 CD LYS A 154 -17.399 -3.524 -12.367 1.00 0.95 C ATOM 2460 CE LYS A 154 -16.287 -3.299 -11.345 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.939 -3.402 -11.961 1.00 1.32 N ATOM 0 H LYS A 154 -19.510 -1.287 -8.636 1.00 1.09 H new ATOM 0 HA LYS A 154 -21.151 -2.211 -10.878 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -18.897 -1.534 -11.342 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.263 -2.465 -9.999 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.838 -4.562 -11.153 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -19.541 -3.659 -12.480 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -17.196 -4.437 -12.928 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -17.403 -2.703 -13.084 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.405 -2.315 -10.891 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -16.377 -4.032 -10.543 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.221 -3.481 -11.213 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -14.899 -4.244 -12.570 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -14.752 -2.553 -12.532 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.871 -4.363 -9.945 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.327 -5.628 -9.403 1.00 2.44 C ATOM 2477 C LYS A 155 -22.892 -6.489 -10.518 1.00 3.14 C ATOM 2478 O LYS A 155 -22.459 -7.647 -10.659 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.387 -5.390 -8.321 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.728 -6.615 -7.480 1.00 2.95 C ATOM 2481 CD LYS A 155 -22.666 -6.901 -6.421 1.00 3.46 C ATOM 2482 CE LYS A 155 -21.419 -7.544 -7.009 1.00 3.45 C ATOM 2483 NZ LYS A 155 -20.365 -7.753 -5.982 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.745 -5.983 -11.277 1.00 3.60 O ATOM 0 H LYS A 155 -22.489 -3.952 -10.645 1.00 1.82 H new ATOM 0 HA LYS A 155 -21.483 -6.147 -8.949 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -23.038 -4.598 -7.659 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -24.298 -5.029 -8.798 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -24.692 -6.463 -6.994 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -23.833 -7.483 -8.131 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -22.392 -5.970 -5.925 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -23.085 -7.558 -5.658 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -21.682 -8.501 -7.459 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -21.028 -6.913 -7.807 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -19.621 -8.369 -6.368 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -19.952 -6.836 -5.717 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -20.783 -8.200 -5.141 1.00 4.22 H new TER 2498 LYS A 155