USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1400 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: B 3 THR OG1 : rot -140:sc= -0.589 USER MOD Set 1.2: B 7 HIS :FLIP no HD1:sc= -0.817 F(o=-3.2!,f=-1.4) USER MOD Set 2.1: A 3 THR OG1 : rot -140:sc= -0.594 USER MOD Set 2.2: A 7 HIS :FLIP no HD1:sc= -0.813 F(o=-3.1!,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= -0.258 (180deg=-0.429) USER MOD Single : A 2 THR OG1 : rot -60:sc= 0.413 USER MOD Single : A 4 SER OG : rot 180:sc= -0.28 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0213 (180deg=-0.376) USER MOD Single : A 15 MET CE :methyl -146:sc= -1.21 (180deg=-4.56!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -130:sc= -0.366 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc=-0.00974 (180deg=-0.215) USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 0.447 (180deg=0.131) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= -0.102 (180deg=-1.79!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.298 USER MOD Single : A 48 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.23) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.848) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0142 (180deg=-0.25) USER MOD Single : A 66 THR OG1 : rot 67:sc= 0.865 USER MOD Single : A 67 CYS SG : rot -30:sc= 0.771 USER MOD Single : A 70 ASN :FLIP amide:sc=-0.00614 F(o=-1.7!,f=-0.0061) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -1.85! C(o=-4!,f=-1.8!) USER MOD Single : A 74 SER OG : rot 79:sc= 0.459 USER MOD Single : A 77 CYS SG : rot -19:sc= -1.75 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.36 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.633 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -121:sc= -0.318 (180deg=-0.417) USER MOD Single : B 2 THR OG1 : rot -67:sc= 0.431 USER MOD Single : B 4 SER OG : rot 180:sc= -0.359 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 6 LYS NZ :NH3+ 166:sc=-0.000988 (180deg=-0.399) USER MOD Single : B 15 MET CE :methyl -146:sc= -1.25 (180deg=-4.68!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 96:sc= -0.327 USER MOD Single : B 32 LYS NZ :NH3+ -166:sc=-0.00186 (180deg=-0.217) USER MOD Single : B 33 LYS NZ :NH3+ 151:sc= 0.445 (180deg=0.127) USER MOD Single : B 41 LYS NZ :NH3+ 147:sc= -0.0983 (180deg=-1.76!) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.049 USER MOD Single : B 48 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.18) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 157:sc= -0.119 (180deg=-0.836) USER MOD Single : B 64 LYS NZ :NH3+ 164:sc= -0.0184 (180deg=-0.241) USER MOD Single : B 66 THR OG1 : rot 73:sc= 0.844 USER MOD Single : B 67 CYS SG : rot -58:sc= 0.748 USER MOD Single : B 70 ASN :FLIP amide:sc= -0.012 F(o=-1.7!,f=-0.012) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN :FLIP amide:sc= -1.81! C(o=-3.8!,f=-1.8!) USER MOD Single : B 74 SER OG : rot 78:sc= 0.462 USER MOD Single : B 77 CYS SG : rot -24:sc= -1.8 USER MOD Single : B 80 CYS SG : rot -130:sc= -0.362 USER MOD Single : B 85 CYS SG : rot 180:sc= -0.637 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 123.015 -8.001 12.060 1.00 3.75 N ATOM 2 CA MET A 1 122.056 -6.917 11.708 1.00 3.27 C ATOM 3 C MET A 1 120.998 -7.465 10.745 1.00 2.28 C ATOM 4 O MET A 1 120.597 -6.801 9.810 1.00 2.68 O ATOM 5 CB MET A 1 122.810 -5.769 11.030 1.00 3.76 C ATOM 6 CG MET A 1 123.741 -5.089 12.036 1.00 4.33 C ATOM 7 SD MET A 1 124.623 -3.736 11.216 1.00 5.05 S ATOM 8 CE MET A 1 125.556 -3.142 12.652 1.00 5.68 C ATOM 0 H1 MET A 1 122.986 -8.171 13.086 1.00 3.75 H new ATOM 0 H2 MET A 1 122.753 -8.873 11.557 1.00 3.75 H new ATOM 0 H3 MET A 1 123.977 -7.717 11.784 1.00 3.75 H new ATOM 0 HA MET A 1 121.572 -6.552 12.614 1.00 3.27 H new ATOM 0 HB2 MET A 1 123.387 -6.149 10.187 1.00 3.76 H new ATOM 0 HB3 MET A 1 122.102 -5.044 10.630 1.00 3.76 H new ATOM 0 HG2 MET A 1 123.166 -4.706 12.879 1.00 4.33 H new ATOM 0 HG3 MET A 1 124.452 -5.811 12.437 1.00 4.33 H new ATOM 0 HE1 MET A 1 126.175 -2.294 12.358 1.00 5.68 H new ATOM 0 HE2 MET A 1 124.862 -2.831 13.433 1.00 5.68 H new ATOM 0 HE3 MET A 1 126.192 -3.943 13.029 1.00 5.68 H new ATOM 20 N THR A 2 120.547 -8.673 10.961 1.00 1.63 N ATOM 21 CA THR A 2 119.518 -9.263 10.054 1.00 1.44 C ATOM 22 C THR A 2 120.027 -9.214 8.612 1.00 1.17 C ATOM 23 O THR A 2 119.278 -8.978 7.687 1.00 1.22 O ATOM 24 CB THR A 2 118.217 -8.463 10.153 1.00 2.22 C ATOM 25 OG1 THR A 2 118.330 -7.277 9.380 1.00 2.76 O ATOM 26 CG2 THR A 2 117.945 -8.098 11.613 1.00 3.02 C ATOM 0 H THR A 2 120.847 -9.277 11.726 1.00 1.63 H new ATOM 0 HA THR A 2 119.331 -10.296 10.348 1.00 1.44 H new ATOM 0 HB THR A 2 117.393 -9.067 9.774 1.00 2.22 H new ATOM 0 HG1 THR A 2 119.077 -6.738 9.715 1.00 2.76 H new ATOM 0 HG21 THR A 2 117.018 -7.529 11.679 1.00 3.02 H new ATOM 0 HG22 THR A 2 117.854 -9.009 12.205 1.00 3.02 H new ATOM 0 HG23 THR A 2 118.769 -7.496 11.997 1.00 3.02 H new ATOM 34 N THR A 3 121.300 -9.421 8.416 1.00 0.96 N ATOM 35 CA THR A 3 121.861 -9.371 7.036 1.00 0.75 C ATOM 36 C THR A 3 121.625 -10.702 6.312 1.00 0.69 C ATOM 37 O THR A 3 121.378 -11.722 6.924 1.00 0.74 O ATOM 38 CB THR A 3 123.362 -9.093 7.113 1.00 0.68 C ATOM 39 OG1 THR A 3 124.040 -10.278 7.502 1.00 0.79 O ATOM 40 CG2 THR A 3 123.636 -7.990 8.140 1.00 0.75 C ATOM 0 H THR A 3 121.977 -9.623 9.152 1.00 0.96 H new ATOM 0 HA THR A 3 121.363 -8.577 6.480 1.00 0.75 H new ATOM 0 HB THR A 3 123.718 -8.769 6.135 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.757 -10.053 8.131 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.708 -7.797 8.190 1.00 0.75 H new ATOM 0 HG22 THR A 3 123.117 -7.079 7.843 1.00 0.75 H new ATOM 0 HG23 THR A 3 123.279 -8.308 9.120 1.00 0.75 H new ATOM 48 N SER A 4 121.707 -10.690 5.008 1.00 0.63 N ATOM 49 CA SER A 4 121.496 -11.940 4.219 1.00 0.61 C ATOM 50 C SER A 4 122.763 -12.799 4.274 1.00 0.60 C ATOM 51 O SER A 4 123.783 -12.398 4.799 1.00 0.57 O ATOM 52 CB SER A 4 121.193 -11.575 2.765 1.00 0.63 C ATOM 53 OG SER A 4 121.067 -12.765 1.998 1.00 1.51 O ATOM 0 H SER A 4 121.913 -9.861 4.451 1.00 0.63 H new ATOM 0 HA SER A 4 120.660 -12.499 4.638 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.273 -10.993 2.708 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.990 -10.951 2.361 1.00 0.63 H new ATOM 0 HG SER A 4 120.871 -12.534 1.066 1.00 1.51 H new ATOM 59 N GLN A 5 122.686 -13.991 3.741 1.00 0.63 N ATOM 60 CA GLN A 5 123.858 -14.913 3.760 1.00 0.64 C ATOM 61 C GLN A 5 125.039 -14.278 3.025 1.00 0.60 C ATOM 62 O GLN A 5 126.182 -14.612 3.270 1.00 0.59 O ATOM 63 CB GLN A 5 123.481 -16.235 3.080 1.00 0.71 C ATOM 64 CG GLN A 5 124.681 -17.191 3.094 1.00 1.34 C ATOM 65 CD GLN A 5 124.289 -18.515 2.437 1.00 1.60 C ATOM 66 OE1 GLN A 5 123.564 -18.532 1.463 1.00 2.09 O ATOM 67 NE2 GLN A 5 124.750 -19.633 2.929 1.00 2.18 N ATOM 0 H GLN A 5 121.852 -14.367 3.289 1.00 0.63 H new ATOM 0 HA GLN A 5 124.144 -15.102 4.794 1.00 0.64 H new ATOM 0 HB2 GLN A 5 122.636 -16.691 3.596 1.00 0.71 H new ATOM 0 HB3 GLN A 5 123.165 -16.049 2.053 1.00 0.71 H new ATOM 0 HG2 GLN A 5 125.521 -16.744 2.562 1.00 1.34 H new ATOM 0 HG3 GLN A 5 125.009 -17.365 4.119 1.00 1.34 H new ATOM 0 HE21 GLN A 5 125.359 -19.617 3.747 1.00 2.18 H new ATOM 0 HE22 GLN A 5 124.501 -20.522 2.495 1.00 2.18 H new ATOM 76 N LYS A 6 124.784 -13.371 2.120 1.00 0.59 N ATOM 77 CA LYS A 6 125.900 -12.730 1.372 1.00 0.57 C ATOM 78 C LYS A 6 126.824 -12.023 2.366 1.00 0.51 C ATOM 79 O LYS A 6 128.024 -11.977 2.184 1.00 0.50 O ATOM 80 CB LYS A 6 125.327 -11.706 0.379 1.00 0.58 C ATOM 81 CG LYS A 6 124.781 -12.416 -0.870 1.00 0.65 C ATOM 82 CD LYS A 6 123.488 -13.164 -0.529 1.00 0.81 C ATOM 83 CE LYS A 6 122.825 -13.649 -1.820 1.00 1.26 C ATOM 84 NZ LYS A 6 123.769 -14.535 -2.560 1.00 2.02 N ATOM 0 H LYS A 6 123.850 -13.047 1.868 1.00 0.59 H new ATOM 0 HA LYS A 6 126.462 -13.486 0.824 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.532 -11.133 0.856 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.102 -10.996 0.091 1.00 0.58 H new ATOM 0 HG2 LYS A 6 124.591 -11.687 -1.658 1.00 0.65 H new ATOM 0 HG3 LYS A 6 125.524 -13.115 -1.254 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.706 -14.011 0.121 1.00 0.81 H new ATOM 0 HD3 LYS A 6 122.809 -12.509 0.017 1.00 0.81 H new ATOM 0 HE2 LYS A 6 121.907 -14.189 -1.589 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.546 -12.797 -2.441 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 123.247 -15.075 -3.279 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 124.498 -13.956 -3.024 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.222 -15.193 -1.894 1.00 2.02 H new ATOM 98 N HIS A 7 126.281 -11.465 3.408 1.00 0.49 N ATOM 99 CA HIS A 7 127.138 -10.754 4.399 1.00 0.45 C ATOM 100 C HIS A 7 128.161 -11.718 5.000 1.00 0.45 C ATOM 101 O HIS A 7 129.338 -11.424 5.065 1.00 0.43 O ATOM 102 CB HIS A 7 126.245 -10.180 5.505 1.00 0.45 C ATOM 103 CG HIS A 7 127.077 -9.708 6.671 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.815 -10.392 7.607 1.00 0.38 N flip ATOM 105 CD2 HIS A 7 127.205 -8.364 6.998 1.00 0.45 C flip ATOM 106 CE1 HIS A 7 128.386 -9.490 8.497 1.00 0.38 C flip ATOM 107 NE2 HIS A 7 127.992 -8.285 8.088 1.00 0.42 N flip ATOM 0 H HIS A 7 125.283 -11.469 3.618 1.00 0.49 H new ATOM 0 HA HIS A 7 127.676 -9.946 3.903 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.658 -9.350 5.111 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.539 -10.940 5.840 1.00 0.45 H new ATOM 0 HD2 HIS A 7 126.755 -7.534 6.474 1.00 0.45 H new ATOM 0 HE1 HIS A 7 129.017 -9.718 9.343 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.254 -7.411 8.544 1.00 0.42 H new ATOM 115 N ARG A 8 127.726 -12.869 5.448 1.00 0.48 N ATOM 116 CA ARG A 8 128.673 -13.843 6.050 1.00 0.50 C ATOM 117 C ARG A 8 129.579 -14.421 4.960 1.00 0.51 C ATOM 118 O ARG A 8 130.721 -14.746 5.204 1.00 0.51 O ATOM 119 CB ARG A 8 127.877 -14.966 6.725 1.00 0.55 C ATOM 120 CG ARG A 8 127.177 -14.419 7.976 1.00 0.57 C ATOM 121 CD ARG A 8 126.383 -15.544 8.647 1.00 1.00 C ATOM 122 NE ARG A 8 125.496 -14.987 9.727 1.00 1.69 N ATOM 123 CZ ARG A 8 125.973 -14.300 10.733 1.00 2.27 C ATOM 124 NH1 ARG A 8 127.259 -14.191 10.918 1.00 2.42 N ATOM 125 NH2 ARG A 8 125.151 -13.761 11.594 1.00 3.21 N ATOM 0 H ARG A 8 126.753 -13.172 5.421 1.00 0.48 H new ATOM 0 HA ARG A 8 129.294 -13.343 6.794 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.140 -15.371 6.031 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.543 -15.785 6.997 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.913 -14.014 8.670 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.511 -13.600 7.705 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.779 -16.065 7.904 1.00 1.00 H new ATOM 0 HD3 ARG A 8 127.068 -16.278 9.072 1.00 1.00 H new ATOM 0 HE ARG A 8 124.491 -15.150 9.673 1.00 1.69 H new ATOM 0 HH11 ARG A 8 127.907 -14.645 10.274 1.00 2.42 H new ATOM 0 HH12 ARG A 8 127.617 -13.652 11.707 1.00 2.42 H new ATOM 0 HH21 ARG A 8 124.144 -13.877 11.479 1.00 3.21 H new ATOM 0 HH22 ARG A 8 125.516 -13.224 12.381 1.00 3.21 H new ATOM 139 N ASP A 9 129.082 -14.552 3.761 1.00 0.52 N ATOM 140 CA ASP A 9 129.929 -15.110 2.667 1.00 0.54 C ATOM 141 C ASP A 9 131.042 -14.119 2.316 1.00 0.49 C ATOM 142 O ASP A 9 132.166 -14.497 2.055 1.00 0.49 O ATOM 143 CB ASP A 9 129.082 -15.366 1.419 1.00 0.61 C ATOM 144 CG ASP A 9 128.133 -16.539 1.668 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.369 -17.277 2.612 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.192 -16.688 0.906 1.00 0.76 O ATOM 0 H ASP A 9 128.131 -14.299 3.491 1.00 0.52 H new ATOM 0 HA ASP A 9 130.363 -16.049 3.010 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.512 -14.472 1.166 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.728 -15.583 0.568 1.00 0.61 H new ATOM 151 N PHE A 10 130.730 -12.855 2.291 1.00 0.46 N ATOM 152 CA PHE A 10 131.764 -11.840 1.935 1.00 0.43 C ATOM 153 C PHE A 10 132.902 -11.860 2.967 1.00 0.38 C ATOM 154 O PHE A 10 134.066 -11.883 2.616 1.00 0.36 O ATOM 155 CB PHE A 10 131.109 -10.457 1.903 1.00 0.45 C ATOM 156 CG PHE A 10 132.068 -9.440 1.325 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.137 -9.255 -0.060 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.873 -8.672 2.175 1.00 0.43 C ATOM 159 CE1 PHE A 10 133.013 -8.304 -0.597 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.749 -7.721 1.638 1.00 0.43 C ATOM 161 CZ PHE A 10 133.819 -7.537 0.251 1.00 0.43 C ATOM 0 H PHE A 10 129.806 -12.479 2.501 1.00 0.46 H new ATOM 0 HA PHE A 10 132.183 -12.072 0.956 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.199 -10.491 1.304 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.817 -10.161 2.911 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.514 -9.846 -0.715 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.818 -8.813 3.244 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.067 -8.162 -1.666 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.371 -7.129 2.293 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.495 -6.803 -0.163 1.00 0.43 H new ATOM 171 N VAL A 11 132.578 -11.841 4.232 1.00 0.37 N ATOM 172 CA VAL A 11 133.641 -11.849 5.284 1.00 0.35 C ATOM 173 C VAL A 11 134.121 -13.281 5.552 1.00 0.37 C ATOM 174 O VAL A 11 134.863 -13.528 6.482 1.00 0.38 O ATOM 175 CB VAL A 11 133.074 -11.250 6.571 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.459 -9.884 6.265 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.998 -12.179 7.134 1.00 0.40 C ATOM 0 H VAL A 11 131.621 -11.820 4.585 1.00 0.37 H new ATOM 0 HA VAL A 11 134.489 -11.257 4.939 1.00 0.35 H new ATOM 0 HB VAL A 11 133.873 -11.135 7.303 1.00 0.37 H new ATOM 0 HG11 VAL A 11 132.054 -9.454 7.181 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.225 -9.222 5.862 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.659 -10.001 5.534 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.593 -11.753 8.052 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.197 -12.294 6.403 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.435 -13.154 7.349 1.00 0.40 H new ATOM 187 N ALA A 12 133.722 -14.223 4.732 1.00 0.41 N ATOM 188 CA ALA A 12 134.172 -15.643 4.919 1.00 0.48 C ATOM 189 C ALA A 12 135.237 -15.993 3.877 1.00 0.46 C ATOM 190 O ALA A 12 135.927 -16.986 3.994 1.00 0.49 O ATOM 191 CB ALA A 12 132.981 -16.586 4.750 1.00 0.54 C ATOM 0 H ALA A 12 133.101 -14.071 3.937 1.00 0.41 H new ATOM 0 HA ALA A 12 134.590 -15.752 5.920 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.310 -17.616 4.886 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.220 -16.347 5.493 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.563 -16.468 3.750 1.00 0.54 H new ATOM 197 N GLU A 13 135.382 -15.185 2.860 1.00 0.43 N ATOM 198 CA GLU A 13 136.408 -15.470 1.813 1.00 0.43 C ATOM 199 C GLU A 13 136.820 -14.150 1.143 1.00 0.40 C ATOM 200 O GLU A 13 136.040 -13.221 1.090 1.00 0.37 O ATOM 201 CB GLU A 13 135.810 -16.415 0.765 1.00 0.46 C ATOM 202 CG GLU A 13 134.415 -15.929 0.369 1.00 0.48 C ATOM 203 CD GLU A 13 133.885 -16.783 -0.784 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.412 -17.866 -0.983 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.963 -16.342 -1.447 1.00 1.05 O ATOM 0 H GLU A 13 134.833 -14.338 2.709 1.00 0.43 H new ATOM 0 HA GLU A 13 137.282 -15.938 2.265 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.455 -16.455 -0.113 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.753 -17.428 1.165 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.740 -15.993 1.223 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.454 -14.881 0.071 1.00 0.48 H new ATOM 212 N PRO A 14 138.022 -14.059 0.619 1.00 0.42 N ATOM 213 CA PRO A 14 138.488 -12.819 -0.064 1.00 0.40 C ATOM 214 C PRO A 14 137.378 -12.198 -0.920 1.00 0.36 C ATOM 215 O PRO A 14 136.404 -12.845 -1.248 1.00 0.36 O ATOM 216 CB PRO A 14 139.644 -13.316 -0.937 1.00 0.45 C ATOM 217 CG PRO A 14 140.224 -14.473 -0.181 1.00 0.49 C ATOM 218 CD PRO A 14 139.067 -15.103 0.614 1.00 0.48 C ATOM 0 HA PRO A 14 138.782 -12.036 0.635 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.292 -13.623 -1.922 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.386 -12.533 -1.093 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.666 -15.199 -0.863 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.018 -14.140 0.488 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.712 -16.020 0.143 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.375 -15.364 1.627 1.00 0.48 H new ATOM 226 N MET A 15 137.512 -10.951 -1.285 1.00 0.35 N ATOM 227 CA MET A 15 136.456 -10.297 -2.116 1.00 0.35 C ATOM 228 C MET A 15 136.802 -10.440 -3.600 1.00 0.36 C ATOM 229 O MET A 15 135.948 -10.351 -4.460 1.00 0.39 O ATOM 230 CB MET A 15 136.373 -8.815 -1.751 1.00 0.37 C ATOM 231 CG MET A 15 137.781 -8.222 -1.673 1.00 0.41 C ATOM 232 SD MET A 15 137.677 -6.417 -1.779 1.00 0.57 S ATOM 233 CE MET A 15 137.338 -6.090 -0.032 1.00 0.43 C ATOM 0 H MET A 15 138.305 -10.356 -1.045 1.00 0.35 H new ATOM 0 HA MET A 15 135.496 -10.776 -1.925 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.784 -8.280 -2.496 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.864 -8.694 -0.795 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.261 -8.516 -0.739 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.397 -8.611 -2.484 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.678 -5.227 0.055 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.858 -6.961 0.415 1.00 0.43 H new ATOM 0 HE3 MET A 15 138.274 -5.885 0.488 1.00 0.43 H new ATOM 243 N GLY A 16 138.051 -10.669 -3.904 1.00 0.37 N ATOM 244 CA GLY A 16 138.459 -10.829 -5.330 1.00 0.40 C ATOM 245 C GLY A 16 137.904 -9.674 -6.167 1.00 0.40 C ATOM 246 O GLY A 16 137.917 -8.531 -5.754 1.00 0.38 O ATOM 0 H GLY A 16 138.808 -10.752 -3.225 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.546 -10.854 -5.405 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.091 -11.779 -5.717 1.00 0.40 H new ATOM 250 N GLU A 17 137.441 -9.965 -7.358 1.00 0.41 N ATOM 251 CA GLU A 17 136.907 -8.896 -8.263 1.00 0.42 C ATOM 252 C GLU A 17 135.378 -8.960 -8.324 1.00 0.40 C ATOM 253 O GLU A 17 134.781 -8.630 -9.331 1.00 0.40 O ATOM 254 CB GLU A 17 137.467 -9.110 -9.672 1.00 0.47 C ATOM 255 CG GLU A 17 138.978 -8.870 -9.667 1.00 0.52 C ATOM 256 CD GLU A 17 139.530 -9.086 -11.078 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.787 -9.568 -11.916 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.688 -8.769 -11.294 1.00 0.85 O ATOM 0 H GLU A 17 137.409 -10.907 -7.747 1.00 0.41 H new ATOM 0 HA GLU A 17 137.208 -7.923 -7.875 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.251 -10.124 -10.010 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.983 -8.430 -10.373 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.196 -7.856 -9.330 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.463 -9.550 -8.966 1.00 0.52 H new ATOM 265 N LYS A 18 134.733 -9.381 -7.271 1.00 0.38 N ATOM 266 CA LYS A 18 133.244 -9.465 -7.295 1.00 0.36 C ATOM 267 C LYS A 18 132.676 -8.061 -7.557 1.00 0.32 C ATOM 268 O LYS A 18 133.278 -7.074 -7.185 1.00 0.31 O ATOM 269 CB LYS A 18 132.751 -9.965 -5.931 1.00 0.36 C ATOM 270 CG LYS A 18 133.308 -11.370 -5.651 1.00 0.45 C ATOM 271 CD LYS A 18 132.443 -12.430 -6.342 1.00 1.17 C ATOM 272 CE LYS A 18 132.928 -13.824 -5.939 1.00 1.44 C ATOM 273 NZ LYS A 18 132.037 -14.852 -6.546 1.00 2.01 N ATOM 0 H LYS A 18 135.171 -9.670 -6.396 1.00 0.38 H new ATOM 0 HA LYS A 18 132.917 -10.150 -8.077 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.067 -9.277 -5.147 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.661 -9.987 -5.915 1.00 0.36 H new ATOM 0 HG2 LYS A 18 134.336 -11.440 -6.008 1.00 0.45 H new ATOM 0 HG3 LYS A 18 133.331 -11.553 -4.577 1.00 0.45 H new ATOM 0 HD2 LYS A 18 131.398 -12.301 -6.061 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.499 -12.312 -7.424 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.955 -13.974 -6.272 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.928 -13.922 -4.853 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 132.365 -15.800 -6.273 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 131.064 -14.712 -6.207 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.059 -14.763 -7.582 1.00 2.01 H new ATOM 287 N PRO A 19 131.537 -7.961 -8.206 1.00 0.31 N ATOM 288 CA PRO A 19 130.920 -6.638 -8.522 1.00 0.29 C ATOM 289 C PRO A 19 130.498 -5.886 -7.258 1.00 0.25 C ATOM 290 O PRO A 19 130.321 -6.464 -6.204 1.00 0.24 O ATOM 291 CB PRO A 19 129.705 -6.991 -9.400 1.00 0.32 C ATOM 292 CG PRO A 19 129.380 -8.412 -9.064 1.00 0.33 C ATOM 293 CD PRO A 19 130.710 -9.078 -8.707 1.00 0.34 C ATOM 0 HA PRO A 19 131.619 -5.969 -9.024 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.862 -6.333 -9.189 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.938 -6.880 -10.459 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.681 -8.465 -8.229 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.907 -8.914 -9.908 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.580 -9.851 -7.950 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.165 -9.555 -9.575 1.00 0.34 H new ATOM 301 N VAL A 20 130.354 -4.595 -7.358 1.00 0.25 N ATOM 302 CA VAL A 20 129.965 -3.791 -6.169 1.00 0.23 C ATOM 303 C VAL A 20 128.642 -4.300 -5.587 1.00 0.21 C ATOM 304 O VAL A 20 128.493 -4.453 -4.391 1.00 0.23 O ATOM 305 CB VAL A 20 129.827 -2.322 -6.576 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.679 -2.162 -7.576 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.543 -1.479 -5.332 1.00 0.29 C ATOM 0 H VAL A 20 130.490 -4.060 -8.216 1.00 0.25 H new ATOM 0 HA VAL A 20 130.736 -3.888 -5.405 1.00 0.23 H new ATOM 0 HB VAL A 20 130.754 -1.989 -7.043 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.588 -1.114 -7.860 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.883 -2.762 -8.463 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.748 -2.496 -7.118 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.444 -0.432 -5.617 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.617 -1.818 -4.867 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.365 -1.586 -4.624 1.00 0.29 H new ATOM 317 N GLY A 21 127.673 -4.541 -6.432 1.00 0.23 N ATOM 318 CA GLY A 21 126.345 -5.016 -5.949 1.00 0.21 C ATOM 319 C GLY A 21 126.496 -6.286 -5.109 1.00 0.20 C ATOM 320 O GLY A 21 125.531 -6.793 -4.572 1.00 0.19 O ATOM 0 H GLY A 21 127.747 -4.428 -7.443 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.869 -4.236 -5.355 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.692 -5.212 -6.800 1.00 0.21 H new ATOM 324 N SER A 22 127.685 -6.809 -4.978 1.00 0.20 N ATOM 325 CA SER A 22 127.861 -8.043 -4.160 1.00 0.20 C ATOM 326 C SER A 22 127.951 -7.664 -2.680 1.00 0.19 C ATOM 327 O SER A 22 127.699 -8.470 -1.807 1.00 0.20 O ATOM 328 CB SER A 22 129.148 -8.755 -4.582 1.00 0.23 C ATOM 329 OG SER A 22 129.081 -9.059 -5.970 1.00 1.24 O ATOM 0 H SER A 22 128.537 -6.438 -5.399 1.00 0.20 H new ATOM 0 HA SER A 22 127.010 -8.707 -4.315 1.00 0.20 H new ATOM 0 HB2 SER A 22 130.012 -8.122 -4.377 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.278 -9.669 -4.003 1.00 0.23 H new ATOM 0 HG SER A 22 129.310 -10.002 -6.110 1.00 1.24 H new ATOM 335 N LEU A 23 128.308 -6.441 -2.390 1.00 0.17 N ATOM 336 CA LEU A 23 128.412 -6.015 -0.966 1.00 0.18 C ATOM 337 C LEU A 23 127.034 -6.078 -0.305 1.00 0.18 C ATOM 338 O LEU A 23 126.032 -5.711 -0.885 1.00 0.17 O ATOM 339 CB LEU A 23 128.941 -4.578 -0.894 1.00 0.18 C ATOM 340 CG LEU A 23 130.418 -4.536 -1.315 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.855 -3.074 -1.460 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.300 -5.243 -0.262 1.00 0.24 C ATOM 0 H LEU A 23 128.531 -5.721 -3.077 1.00 0.17 H new ATOM 0 HA LEU A 23 129.097 -6.683 -0.444 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.351 -3.932 -1.545 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.833 -4.193 0.120 1.00 0.18 H new ATOM 0 HG LEU A 23 130.534 -5.054 -2.267 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.903 -3.035 -1.759 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.243 -2.585 -2.218 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.730 -2.561 -0.507 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.343 -5.204 -0.576 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.191 -4.741 0.700 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.989 -6.283 -0.166 1.00 0.24 H new ATOM 354 N ALA A 24 126.988 -6.540 0.908 1.00 0.18 N ATOM 355 CA ALA A 24 125.679 -6.629 1.617 1.00 0.19 C ATOM 356 C ALA A 24 125.125 -5.219 1.860 1.00 0.20 C ATOM 357 O ALA A 24 125.835 -4.312 2.247 1.00 0.20 O ATOM 358 CB ALA A 24 125.864 -7.350 2.955 1.00 0.21 C ATOM 0 H ALA A 24 127.796 -6.860 1.442 1.00 0.18 H new ATOM 0 HA ALA A 24 124.975 -7.190 1.002 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.905 -7.413 3.470 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.247 -8.355 2.777 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.572 -6.796 3.572 1.00 0.21 H new ATOM 364 N GLY A 25 123.854 -5.042 1.623 1.00 0.20 N ATOM 365 CA GLY A 25 123.222 -3.701 1.825 1.00 0.21 C ATOM 366 C GLY A 25 123.166 -2.964 0.487 1.00 0.21 C ATOM 367 O GLY A 25 122.410 -2.028 0.315 1.00 0.22 O ATOM 0 H GLY A 25 123.220 -5.771 1.296 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.218 -3.817 2.232 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.795 -3.121 2.549 1.00 0.21 H new ATOM 371 N ILE A 26 123.952 -3.386 -0.470 1.00 0.20 N ATOM 372 CA ILE A 26 123.940 -2.724 -1.810 1.00 0.21 C ATOM 373 C ILE A 26 123.084 -3.572 -2.743 1.00 0.23 C ATOM 374 O ILE A 26 123.458 -4.670 -3.106 1.00 0.25 O ATOM 375 CB ILE A 26 125.369 -2.643 -2.355 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.288 -1.997 -1.307 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.384 -1.809 -3.637 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.721 -0.643 -0.856 1.00 0.24 C ATOM 0 H ILE A 26 124.605 -4.165 -0.381 1.00 0.20 H new ATOM 0 HA ILE A 26 123.535 -1.715 -1.734 1.00 0.21 H new ATOM 0 HB ILE A 26 125.727 -3.649 -2.575 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.391 -2.659 -0.447 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.285 -1.859 -1.725 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.402 -1.753 -4.023 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.739 -2.275 -4.382 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.022 -0.804 -3.421 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.385 -0.200 -0.114 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.642 0.023 -1.715 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.734 -0.790 -0.418 1.00 0.24 H new ATOM 390 N GLY A 27 121.939 -3.087 -3.142 1.00 0.24 N ATOM 391 CA GLY A 27 121.075 -3.887 -4.053 1.00 0.28 C ATOM 392 C GLY A 27 121.398 -3.540 -5.503 1.00 0.28 C ATOM 393 O GLY A 27 122.250 -2.722 -5.787 1.00 0.27 O ATOM 0 H GLY A 27 121.567 -2.175 -2.877 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.234 -4.951 -3.879 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.024 -3.684 -3.845 1.00 0.28 H new ATOM 397 N GLU A 28 120.740 -4.181 -6.421 1.00 0.30 N ATOM 398 CA GLU A 28 121.021 -3.921 -7.855 1.00 0.32 C ATOM 399 C GLU A 28 120.846 -2.431 -8.171 1.00 0.32 C ATOM 400 O GLU A 28 121.616 -1.860 -8.912 1.00 0.34 O ATOM 401 CB GLU A 28 120.058 -4.749 -8.704 1.00 0.36 C ATOM 402 CG GLU A 28 120.429 -6.228 -8.577 1.00 0.39 C ATOM 403 CD GLU A 28 119.424 -7.082 -9.350 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.503 -6.515 -9.915 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.591 -8.290 -9.364 1.00 1.65 O ATOM 0 H GLU A 28 120.017 -4.877 -6.240 1.00 0.30 H new ATOM 0 HA GLU A 28 122.050 -4.202 -8.080 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.032 -4.588 -8.374 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.110 -4.436 -9.747 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.435 -6.395 -8.963 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.438 -6.521 -7.527 1.00 0.39 H new ATOM 412 N VAL A 29 119.851 -1.789 -7.623 1.00 0.31 N ATOM 413 CA VAL A 29 119.662 -0.338 -7.925 1.00 0.33 C ATOM 414 C VAL A 29 120.811 0.467 -7.317 1.00 0.33 C ATOM 415 O VAL A 29 121.323 1.388 -7.921 1.00 0.35 O ATOM 416 CB VAL A 29 118.332 0.144 -7.334 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.229 1.668 -7.459 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.170 -0.509 -8.087 1.00 0.35 C ATOM 0 H VAL A 29 119.167 -2.198 -6.986 1.00 0.31 H new ATOM 0 HA VAL A 29 119.651 -0.195 -9.006 1.00 0.33 H new ATOM 0 HB VAL A 29 118.287 -0.134 -6.281 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.282 2.004 -7.037 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.053 2.134 -6.918 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.279 1.951 -8.510 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.225 -0.166 -7.666 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.219 -0.234 -9.141 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.238 -1.593 -7.991 1.00 0.35 H new ATOM 428 N LEU A 30 121.215 0.134 -6.125 1.00 0.32 N ATOM 429 CA LEU A 30 122.323 0.885 -5.475 1.00 0.32 C ATOM 430 C LEU A 30 123.631 0.626 -6.223 1.00 0.32 C ATOM 431 O LEU A 30 124.450 1.510 -6.387 1.00 0.33 O ATOM 432 CB LEU A 30 122.464 0.434 -4.018 1.00 0.32 C ATOM 433 CG LEU A 30 121.216 0.840 -3.217 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.313 0.260 -1.803 1.00 0.36 C ATOM 435 CD2 LEU A 30 121.101 2.379 -3.145 1.00 0.40 C ATOM 0 H LEU A 30 120.825 -0.628 -5.571 1.00 0.32 H new ATOM 0 HA LEU A 30 122.100 1.951 -5.503 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.598 -0.647 -3.975 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.353 0.883 -3.574 1.00 0.32 H new ATOM 0 HG LEU A 30 120.329 0.448 -3.715 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.430 0.545 -1.231 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.373 -0.827 -1.859 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.205 0.648 -1.311 1.00 0.36 H new ATOM 0 HD21 LEU A 30 120.213 2.651 -2.575 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.985 2.787 -2.656 1.00 0.40 H new ATOM 0 HD23 LEU A 30 121.024 2.786 -4.153 1.00 0.40 H new ATOM 447 N GLY A 31 123.839 -0.580 -6.670 1.00 0.33 N ATOM 448 CA GLY A 31 125.099 -0.898 -7.398 1.00 0.34 C ATOM 449 C GLY A 31 125.219 -0.024 -8.650 1.00 0.35 C ATOM 450 O GLY A 31 126.287 0.451 -8.980 1.00 0.35 O ATOM 0 H GLY A 31 123.191 -1.360 -6.563 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.957 -0.732 -6.746 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.110 -1.951 -7.678 1.00 0.34 H new ATOM 454 N LYS A 32 124.139 0.197 -9.355 1.00 0.35 N ATOM 455 CA LYS A 32 124.224 1.044 -10.581 1.00 0.37 C ATOM 456 C LYS A 32 124.582 2.484 -10.185 1.00 0.36 C ATOM 457 O LYS A 32 125.297 3.165 -10.892 1.00 0.38 O ATOM 458 CB LYS A 32 122.877 1.021 -11.340 1.00 0.39 C ATOM 459 CG LYS A 32 122.860 -0.107 -12.388 1.00 1.18 C ATOM 460 CD LYS A 32 122.804 -1.464 -11.691 1.00 1.37 C ATOM 461 CE LYS A 32 122.935 -2.579 -12.731 1.00 2.06 C ATOM 462 NZ LYS A 32 121.717 -2.597 -13.590 1.00 2.74 N ATOM 0 H LYS A 32 123.212 -0.168 -9.138 1.00 0.35 H new ATOM 0 HA LYS A 32 124.999 0.648 -11.237 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.059 0.880 -10.634 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.714 1.981 -11.830 1.00 0.39 H new ATOM 0 HG2 LYS A 32 121.999 0.009 -13.046 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.750 -0.047 -13.014 1.00 1.18 H new ATOM 0 HD2 LYS A 32 123.606 -1.541 -10.957 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.864 -1.567 -11.148 1.00 1.37 H new ATOM 0 HE2 LYS A 32 123.823 -2.419 -13.343 1.00 2.06 H new ATOM 0 HE3 LYS A 32 123.059 -3.542 -12.235 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 121.688 -3.483 -14.133 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.869 -2.530 -12.992 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 121.743 -1.790 -14.246 1.00 2.74 H new ATOM 476 N LYS A 33 124.085 2.962 -9.076 1.00 0.35 N ATOM 477 CA LYS A 33 124.403 4.364 -8.677 1.00 0.36 C ATOM 478 C LYS A 33 125.887 4.472 -8.327 1.00 0.34 C ATOM 479 O LYS A 33 126.603 5.290 -8.871 1.00 0.36 O ATOM 480 CB LYS A 33 123.567 4.742 -7.455 1.00 0.36 C ATOM 481 CG LYS A 33 122.101 4.873 -7.866 1.00 0.39 C ATOM 482 CD LYS A 33 121.264 5.252 -6.645 1.00 0.64 C ATOM 483 CE LYS A 33 119.800 5.398 -7.058 1.00 0.65 C ATOM 484 NZ LYS A 33 118.969 5.665 -5.850 1.00 1.54 N ATOM 0 H LYS A 33 123.479 2.449 -8.435 1.00 0.35 H new ATOM 0 HA LYS A 33 124.175 5.038 -9.502 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.673 3.984 -6.679 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.923 5.682 -7.033 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.996 5.631 -8.642 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.745 3.933 -8.288 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.361 4.489 -5.873 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.627 6.186 -6.217 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.692 6.213 -7.774 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.458 4.490 -7.554 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.136 6.227 -6.119 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 118.659 4.763 -5.436 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.531 6.192 -5.151 1.00 1.54 H new ATOM 498 N LEU A 34 126.365 3.643 -7.442 1.00 0.32 N ATOM 499 CA LEU A 34 127.810 3.696 -7.090 1.00 0.31 C ATOM 500 C LEU A 34 128.622 3.429 -8.365 1.00 0.31 C ATOM 501 O LEU A 34 129.638 4.045 -8.617 1.00 0.33 O ATOM 502 CB LEU A 34 128.129 2.647 -6.016 1.00 0.29 C ATOM 503 CG LEU A 34 127.402 2.984 -4.707 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.627 1.845 -3.707 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.943 4.304 -4.116 1.00 0.34 C ATOM 0 H LEU A 34 125.821 2.935 -6.950 1.00 0.32 H new ATOM 0 HA LEU A 34 128.067 4.676 -6.687 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.827 1.659 -6.363 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.205 2.610 -5.843 1.00 0.29 H new ATOM 0 HG LEU A 34 126.337 3.103 -4.907 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.114 2.074 -2.773 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.232 0.916 -4.119 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.694 1.733 -3.517 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.418 4.529 -3.188 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.009 4.202 -3.914 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.785 5.114 -4.829 1.00 0.34 H new ATOM 517 N GLU A 35 128.166 2.510 -9.169 1.00 0.32 N ATOM 518 CA GLU A 35 128.897 2.197 -10.434 1.00 0.34 C ATOM 519 C GLU A 35 128.963 3.454 -11.306 1.00 0.37 C ATOM 520 O GLU A 35 129.999 3.799 -11.841 1.00 0.39 O ATOM 521 CB GLU A 35 128.158 1.093 -11.191 1.00 0.35 C ATOM 522 CG GLU A 35 128.904 0.764 -12.487 1.00 0.93 C ATOM 523 CD GLU A 35 128.230 -0.423 -13.177 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.287 -0.954 -12.613 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.668 -0.782 -14.257 1.00 1.36 O ATOM 0 H GLU A 35 127.321 1.962 -9.008 1.00 0.32 H new ATOM 0 HA GLU A 35 129.907 1.862 -10.197 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.081 0.201 -10.569 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.141 1.413 -11.417 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.905 1.630 -13.149 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.946 0.528 -12.270 1.00 0.93 H new ATOM 532 N GLU A 36 127.864 4.142 -11.449 1.00 0.39 N ATOM 533 CA GLU A 36 127.852 5.381 -12.279 1.00 0.43 C ATOM 534 C GLU A 36 128.778 6.408 -11.628 1.00 0.45 C ATOM 535 O GLU A 36 129.222 7.354 -12.248 1.00 0.49 O ATOM 536 CB GLU A 36 126.423 5.937 -12.338 1.00 0.45 C ATOM 537 CG GLU A 36 126.350 7.089 -13.346 1.00 1.12 C ATOM 538 CD GLU A 36 126.581 6.551 -14.759 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.312 5.382 -14.978 1.00 2.00 O ATOM 540 OE2 GLU A 36 127.019 7.319 -15.599 1.00 1.86 O ATOM 0 H GLU A 36 126.969 3.899 -11.025 1.00 0.39 H new ATOM 0 HA GLU A 36 128.192 5.163 -13.291 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.728 5.147 -12.625 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.119 6.286 -11.351 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.377 7.576 -13.286 1.00 1.12 H new ATOM 0 HG3 GLU A 36 127.100 7.843 -13.106 1.00 1.12 H new ATOM 547 N ARG A 37 129.057 6.223 -10.371 1.00 0.42 N ATOM 548 CA ARG A 37 129.937 7.185 -9.646 1.00 0.45 C ATOM 549 C ARG A 37 131.401 6.741 -9.768 1.00 0.42 C ATOM 550 O ARG A 37 132.288 7.368 -9.223 1.00 0.43 O ATOM 551 CB ARG A 37 129.532 7.220 -8.167 1.00 0.45 C ATOM 552 CG ARG A 37 128.141 7.852 -8.002 1.00 0.53 C ATOM 553 CD ARG A 37 128.227 9.383 -8.053 1.00 0.86 C ATOM 554 NE ARG A 37 126.911 9.958 -7.653 1.00 1.42 N ATOM 555 CZ ARG A 37 126.822 11.213 -7.309 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.888 11.966 -7.296 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.664 11.715 -6.971 1.00 2.69 N ATOM 0 H ARG A 37 128.713 5.444 -9.809 1.00 0.42 H new ATOM 0 HA ARG A 37 129.828 8.179 -10.081 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.528 6.208 -7.761 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.266 7.789 -7.597 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.479 7.494 -8.790 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.705 7.539 -7.053 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.011 9.738 -7.385 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.491 9.712 -9.058 1.00 0.86 H new ATOM 0 HE ARG A 37 126.078 9.369 -7.648 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.793 11.573 -7.555 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.816 12.947 -7.027 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.832 11.126 -6.976 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.593 12.696 -6.702 1.00 2.69 H new ATOM 571 N GLY A 38 131.671 5.691 -10.510 1.00 0.40 N ATOM 572 CA GLY A 38 133.092 5.241 -10.700 1.00 0.39 C ATOM 573 C GLY A 38 133.425 4.045 -9.803 1.00 0.37 C ATOM 574 O GLY A 38 134.563 3.624 -9.732 1.00 0.48 O ATOM 0 H GLY A 38 130.971 5.126 -10.992 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.253 4.971 -11.744 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.769 6.065 -10.476 1.00 0.39 H new ATOM 578 N PHE A 39 132.457 3.484 -9.124 1.00 0.31 N ATOM 579 CA PHE A 39 132.729 2.306 -8.240 1.00 0.28 C ATOM 580 C PHE A 39 132.178 1.044 -8.910 1.00 0.28 C ATOM 581 O PHE A 39 131.142 0.531 -8.537 1.00 0.28 O ATOM 582 CB PHE A 39 132.005 2.517 -6.918 1.00 0.27 C ATOM 583 CG PHE A 39 132.651 3.648 -6.159 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.226 4.959 -6.380 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.667 3.387 -5.235 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.817 6.017 -5.681 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.260 4.444 -4.533 1.00 0.30 C ATOM 588 CZ PHE A 39 133.836 5.759 -4.757 1.00 0.32 C ATOM 0 H PHE A 39 131.485 3.792 -9.143 1.00 0.31 H new ATOM 0 HA PHE A 39 133.801 2.199 -8.072 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.954 2.742 -7.100 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.037 1.603 -6.325 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.439 5.157 -7.092 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.994 2.372 -5.063 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.488 7.031 -5.854 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.045 4.244 -3.818 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.295 6.574 -4.217 1.00 0.32 H new ATOM 598 N ASP A 40 132.852 0.560 -9.916 1.00 0.30 N ATOM 599 CA ASP A 40 132.348 -0.648 -10.633 1.00 0.31 C ATOM 600 C ASP A 40 132.697 -1.924 -9.867 1.00 0.29 C ATOM 601 O ASP A 40 132.241 -2.997 -10.213 1.00 0.30 O ATOM 602 CB ASP A 40 132.982 -0.710 -12.024 1.00 0.35 C ATOM 603 CG ASP A 40 134.489 -0.934 -11.888 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.017 -0.653 -10.825 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.090 -1.391 -12.847 1.00 0.41 O ATOM 0 H ASP A 40 133.726 0.946 -10.273 1.00 0.30 H new ATOM 0 HA ASP A 40 131.263 -0.575 -10.713 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.534 -1.517 -12.604 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.789 0.216 -12.565 1.00 0.35 H new ATOM 610 N LYS A 41 133.510 -1.832 -8.844 1.00 0.28 N ATOM 611 CA LYS A 41 133.897 -3.060 -8.073 1.00 0.28 C ATOM 612 C LYS A 41 133.740 -2.802 -6.572 1.00 0.23 C ATOM 613 O LYS A 41 133.820 -1.682 -6.107 1.00 0.23 O ATOM 614 CB LYS A 41 135.354 -3.409 -8.398 1.00 0.34 C ATOM 615 CG LYS A 41 135.476 -3.863 -9.864 1.00 0.48 C ATOM 616 CD LYS A 41 135.042 -5.327 -10.015 1.00 0.74 C ATOM 617 CE LYS A 41 135.407 -5.821 -11.416 1.00 0.71 C ATOM 618 NZ LYS A 41 136.877 -6.057 -11.489 1.00 1.56 N ATOM 0 H LYS A 41 133.923 -0.962 -8.508 1.00 0.28 H new ATOM 0 HA LYS A 41 133.250 -3.892 -8.352 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.991 -2.542 -8.224 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.703 -4.200 -7.734 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.859 -3.228 -10.499 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.506 -3.747 -10.202 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.532 -5.943 -9.261 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.968 -5.418 -9.853 1.00 0.74 H new ATOM 0 HE2 LYS A 41 134.868 -6.741 -11.641 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.108 -5.085 -12.163 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.071 -6.841 -12.144 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 137.350 -5.196 -11.830 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.237 -6.299 -10.544 1.00 1.56 H new ATOM 632 N ALA A 42 133.498 -3.841 -5.818 1.00 0.21 N ATOM 633 CA ALA A 42 133.310 -3.684 -4.344 1.00 0.20 C ATOM 634 C ALA A 42 134.593 -3.182 -3.674 1.00 0.18 C ATOM 635 O ALA A 42 134.550 -2.365 -2.775 1.00 0.18 O ATOM 636 CB ALA A 42 132.934 -5.038 -3.738 1.00 0.21 C ATOM 0 H ALA A 42 133.422 -4.798 -6.161 1.00 0.21 H new ATOM 0 HA ALA A 42 132.519 -2.954 -4.175 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.796 -4.929 -2.662 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.008 -5.394 -4.189 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.731 -5.757 -3.931 1.00 0.21 H new ATOM 642 N TYR A 43 135.731 -3.683 -4.068 1.00 0.19 N ATOM 643 CA TYR A 43 136.998 -3.253 -3.410 1.00 0.18 C ATOM 644 C TYR A 43 137.179 -1.735 -3.538 1.00 0.17 C ATOM 645 O TYR A 43 137.927 -1.131 -2.794 1.00 0.17 O ATOM 646 CB TYR A 43 138.195 -3.994 -4.028 1.00 0.20 C ATOM 647 CG TYR A 43 138.553 -3.412 -5.377 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.272 -2.215 -5.443 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.177 -4.070 -6.554 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.616 -1.674 -6.681 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.523 -3.527 -7.797 1.00 0.28 C ATOM 652 CZ TYR A 43 139.243 -2.328 -7.862 1.00 0.28 C ATOM 653 OH TYR A 43 139.582 -1.791 -9.087 1.00 0.32 O ATOM 0 H TYR A 43 135.839 -4.369 -4.815 1.00 0.19 H new ATOM 0 HA TYR A 43 136.945 -3.504 -2.351 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.053 -3.927 -3.360 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.956 -5.052 -4.136 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.561 -1.709 -4.534 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.621 -4.995 -6.503 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.171 -0.749 -6.729 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.234 -4.033 -8.706 1.00 0.28 H new ATOM 0 HH TYR A 43 139.247 -2.371 -9.802 1.00 0.32 H new ATOM 663 N VAL A 44 136.498 -1.108 -4.457 1.00 0.18 N ATOM 664 CA VAL A 44 136.635 0.373 -4.599 1.00 0.18 C ATOM 665 C VAL A 44 135.753 1.044 -3.538 1.00 0.17 C ATOM 666 O VAL A 44 136.042 2.116 -3.038 1.00 0.18 O ATOM 667 CB VAL A 44 136.199 0.806 -6.006 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.494 2.301 -6.209 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.971 -0.005 -7.057 1.00 0.24 C ATOM 0 H VAL A 44 135.856 -1.552 -5.113 1.00 0.18 H new ATOM 0 HA VAL A 44 137.674 0.670 -4.457 1.00 0.18 H new ATOM 0 HB VAL A 44 135.129 0.628 -6.115 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.182 2.601 -7.209 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.947 2.884 -5.468 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.563 2.480 -6.093 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.660 0.304 -8.055 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.040 0.171 -6.939 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.761 -1.066 -6.924 1.00 0.24 H new ATOM 679 N VAL A 45 134.676 0.388 -3.191 1.00 0.17 N ATOM 680 CA VAL A 45 133.750 0.940 -2.162 1.00 0.17 C ATOM 681 C VAL A 45 134.394 0.745 -0.786 1.00 0.16 C ATOM 682 O VAL A 45 134.342 1.614 0.062 1.00 0.16 O ATOM 683 CB VAL A 45 132.400 0.215 -2.225 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.544 0.615 -1.021 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.669 0.606 -3.514 1.00 0.20 C ATOM 0 H VAL A 45 134.398 -0.513 -3.580 1.00 0.17 H new ATOM 0 HA VAL A 45 133.574 2.000 -2.344 1.00 0.17 H new ATOM 0 HB VAL A 45 132.570 -0.862 -2.211 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.585 0.098 -1.068 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.059 0.340 -0.101 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.377 1.692 -1.035 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.710 0.091 -3.559 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.503 1.683 -3.526 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.274 0.322 -4.375 1.00 0.20 H new ATOM 695 N LEU A 46 135.037 -0.373 -0.574 1.00 0.17 N ATOM 696 CA LEU A 46 135.725 -0.599 0.730 1.00 0.18 C ATOM 697 C LEU A 46 136.768 0.502 0.899 1.00 0.17 C ATOM 698 O LEU A 46 136.971 1.029 1.976 1.00 0.18 O ATOM 699 CB LEU A 46 136.405 -1.980 0.720 1.00 0.22 C ATOM 700 CG LEU A 46 137.295 -2.163 1.964 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.456 -2.049 3.243 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.955 -3.540 1.913 1.00 0.35 C ATOM 0 H LEU A 46 135.115 -1.137 -1.245 1.00 0.17 H new ATOM 0 HA LEU A 46 135.013 -0.573 1.555 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.647 -2.763 0.692 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.007 -2.087 -0.182 1.00 0.22 H new ATOM 0 HG LEU A 46 138.057 -1.384 1.972 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.099 -2.181 4.113 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.987 -1.066 3.284 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.685 -2.819 3.242 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.586 -3.674 2.792 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.186 -4.312 1.898 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.565 -3.618 1.013 1.00 0.35 H new ATOM 714 N GLY A 47 137.432 0.850 -0.169 1.00 0.17 N ATOM 715 CA GLY A 47 138.469 1.914 -0.101 1.00 0.18 C ATOM 716 C GLY A 47 137.867 3.180 0.505 1.00 0.18 C ATOM 717 O GLY A 47 138.456 3.806 1.364 1.00 0.18 O ATOM 0 H GLY A 47 137.298 0.438 -1.093 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.312 1.576 0.502 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.854 2.124 -1.099 1.00 0.18 H new ATOM 721 N GLN A 48 136.694 3.562 0.076 1.00 0.17 N ATOM 722 CA GLN A 48 136.062 4.787 0.646 1.00 0.18 C ATOM 723 C GLN A 48 135.872 4.599 2.156 1.00 0.17 C ATOM 724 O GLN A 48 136.146 5.483 2.940 1.00 0.18 O ATOM 725 CB GLN A 48 134.704 5.013 -0.026 1.00 0.19 C ATOM 726 CG GLN A 48 134.127 6.365 0.404 1.00 0.22 C ATOM 727 CD GLN A 48 134.900 7.492 -0.284 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.785 8.084 0.302 1.00 0.98 O ATOM 729 NE2 GLN A 48 134.601 7.815 -1.513 1.00 1.09 N ATOM 0 H GLN A 48 136.149 3.082 -0.640 1.00 0.17 H new ATOM 0 HA GLN A 48 136.700 5.653 0.468 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.816 4.984 -1.110 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.017 4.212 0.245 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.071 6.421 0.142 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.193 6.473 1.487 1.00 0.22 H new ATOM 0 HE21 GLN A 48 133.858 7.318 -2.005 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.110 8.564 -1.982 1.00 1.09 H new ATOM 738 N PHE A 49 135.422 3.445 2.567 1.00 0.17 N ATOM 739 CA PHE A 49 135.226 3.185 4.026 1.00 0.17 C ATOM 740 C PHE A 49 136.575 3.339 4.730 1.00 0.18 C ATOM 741 O PHE A 49 136.670 3.883 5.813 1.00 0.19 O ATOM 742 CB PHE A 49 134.700 1.758 4.195 1.00 0.17 C ATOM 743 CG PHE A 49 134.481 1.437 5.658 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.499 2.119 6.385 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.247 0.440 6.281 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.281 1.808 7.732 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.030 0.130 7.629 1.00 0.31 C ATOM 748 CZ PHE A 49 134.047 0.814 8.354 1.00 0.26 C ATOM 0 H PHE A 49 135.180 2.666 1.954 1.00 0.17 H new ATOM 0 HA PHE A 49 134.512 3.886 4.458 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.764 1.643 3.649 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.409 1.051 3.765 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.909 2.886 5.906 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.004 -0.088 5.721 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.522 2.334 8.292 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.621 -0.636 8.109 1.00 0.31 H new ATOM 0 HZ PHE A 49 133.879 0.575 9.394 1.00 0.26 H new ATOM 758 N LEU A 50 137.612 2.868 4.112 1.00 0.19 N ATOM 759 CA LEU A 50 138.962 2.988 4.731 1.00 0.21 C ATOM 760 C LEU A 50 139.355 4.471 4.754 1.00 0.21 C ATOM 761 O LEU A 50 139.958 4.952 5.693 1.00 0.23 O ATOM 762 CB LEU A 50 139.973 2.180 3.906 1.00 0.23 C ATOM 763 CG LEU A 50 139.606 0.684 3.952 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.504 -0.104 2.981 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.781 0.135 5.380 1.00 0.28 C ATOM 0 H LEU A 50 137.589 2.404 3.204 1.00 0.19 H new ATOM 0 HA LEU A 50 138.952 2.598 5.749 1.00 0.21 H new ATOM 0 HB2 LEU A 50 139.978 2.531 2.874 1.00 0.23 H new ATOM 0 HB3 LEU A 50 140.979 2.330 4.298 1.00 0.23 H new ATOM 0 HG LEU A 50 138.564 0.570 3.655 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.240 -1.161 3.018 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.361 0.271 1.968 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.548 0.020 3.269 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.518 -0.923 5.398 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.818 0.257 5.692 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.130 0.682 6.062 1.00 0.28 H new ATOM 777 N VAL A 51 139.027 5.191 3.720 1.00 0.21 N ATOM 778 CA VAL A 51 139.385 6.641 3.653 1.00 0.23 C ATOM 779 C VAL A 51 138.629 7.440 4.732 1.00 0.23 C ATOM 780 O VAL A 51 139.035 8.522 5.109 1.00 0.24 O ATOM 781 CB VAL A 51 139.029 7.176 2.257 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.099 8.707 2.241 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.021 6.613 1.236 1.00 0.27 C ATOM 0 H VAL A 51 138.521 4.837 2.908 1.00 0.21 H new ATOM 0 HA VAL A 51 140.454 6.756 3.834 1.00 0.23 H new ATOM 0 HB VAL A 51 138.015 6.866 2.004 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.845 9.072 1.246 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.394 9.111 2.967 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.108 9.028 2.498 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.774 6.989 0.243 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.032 6.924 1.501 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.965 5.524 1.236 1.00 0.27 H new ATOM 793 N LEU A 52 137.529 6.928 5.218 1.00 0.22 N ATOM 794 CA LEU A 52 136.744 7.673 6.260 1.00 0.23 C ATOM 795 C LEU A 52 137.169 7.233 7.664 1.00 0.23 C ATOM 796 O LEU A 52 136.473 7.472 8.630 1.00 0.24 O ATOM 797 CB LEU A 52 135.250 7.400 6.074 1.00 0.24 C ATOM 798 CG LEU A 52 134.786 7.911 4.703 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.309 7.560 4.518 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.971 9.439 4.610 1.00 0.27 C ATOM 0 H LEU A 52 137.136 6.028 4.942 1.00 0.22 H new ATOM 0 HA LEU A 52 136.940 8.739 6.147 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.055 6.331 6.157 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.682 7.890 6.865 1.00 0.24 H new ATOM 0 HG LEU A 52 135.383 7.441 3.921 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.969 7.919 3.547 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.183 6.479 4.570 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.721 8.032 5.305 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.638 9.787 3.632 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.382 9.925 5.388 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.024 9.687 4.744 1.00 0.27 H new ATOM 812 N LYS A 53 138.299 6.600 7.795 1.00 0.22 N ATOM 813 CA LYS A 53 138.756 6.156 9.145 1.00 0.23 C ATOM 814 C LYS A 53 137.640 5.382 9.854 1.00 0.24 C ATOM 815 O LYS A 53 137.498 5.459 11.056 1.00 0.30 O ATOM 816 CB LYS A 53 139.126 7.375 9.992 1.00 0.29 C ATOM 817 CG LYS A 53 140.370 8.055 9.415 1.00 0.38 C ATOM 818 CD LYS A 53 140.719 9.268 10.279 1.00 0.49 C ATOM 819 CE LYS A 53 141.961 9.965 9.720 1.00 0.90 C ATOM 820 NZ LYS A 53 142.348 11.085 10.624 1.00 1.70 N ATOM 0 H LYS A 53 138.929 6.369 7.026 1.00 0.22 H new ATOM 0 HA LYS A 53 139.625 5.510 9.022 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.294 8.079 10.014 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.313 7.070 11.022 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.206 7.355 9.393 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.187 8.365 8.386 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.880 9.963 10.301 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.899 8.954 11.307 1.00 0.49 H new ATOM 0 HE2 LYS A 53 142.782 9.254 9.632 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.759 10.344 8.718 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 143.192 11.560 10.246 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.565 11.767 10.686 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 142.557 10.710 11.571 1.00 1.70 H new ATOM 834 N LYS A 54 136.848 4.639 9.117 1.00 0.22 N ATOM 835 CA LYS A 54 135.737 3.843 9.725 1.00 0.25 C ATOM 836 C LYS A 54 134.768 4.776 10.452 1.00 0.27 C ATOM 837 O LYS A 54 133.998 4.343 11.287 1.00 0.33 O ATOM 838 CB LYS A 54 136.300 2.815 10.716 1.00 0.35 C ATOM 839 CG LYS A 54 137.249 1.869 9.982 1.00 0.67 C ATOM 840 CD LYS A 54 137.811 0.841 10.965 1.00 0.83 C ATOM 841 CE LYS A 54 138.778 -0.085 10.227 1.00 1.41 C ATOM 842 NZ LYS A 54 139.894 0.725 9.662 1.00 2.24 N ATOM 0 H LYS A 54 136.927 4.550 8.104 1.00 0.22 H new ATOM 0 HA LYS A 54 135.208 3.317 8.930 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.828 3.323 11.523 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.487 2.250 11.172 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.721 1.363 9.174 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.062 2.434 9.527 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.325 1.346 11.783 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.000 0.262 11.407 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.169 -0.840 10.909 1.00 1.41 H new ATOM 0 HE3 LYS A 54 138.257 -0.615 9.430 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.723 0.116 9.511 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.598 1.138 8.755 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 140.140 1.487 10.325 1.00 2.24 H new ATOM 856 N ASP A 55 134.768 6.041 10.139 1.00 0.29 N ATOM 857 CA ASP A 55 133.807 6.952 10.820 1.00 0.39 C ATOM 858 C ASP A 55 132.395 6.542 10.390 1.00 0.37 C ATOM 859 O ASP A 55 132.041 6.619 9.231 1.00 0.37 O ATOM 860 CB ASP A 55 134.088 8.394 10.397 1.00 0.46 C ATOM 861 CG ASP A 55 135.322 8.914 11.138 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.450 8.619 12.315 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.120 9.596 10.515 1.00 1.55 O ATOM 0 H ASP A 55 135.382 6.479 9.452 1.00 0.29 H new ATOM 0 HA ASP A 55 133.906 6.884 11.903 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.250 8.443 9.320 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.226 9.023 10.618 1.00 0.46 H new ATOM 868 N GLU A 56 131.605 6.065 11.311 1.00 0.38 N ATOM 869 CA GLU A 56 130.230 5.598 10.967 1.00 0.37 C ATOM 870 C GLU A 56 129.338 6.732 10.442 1.00 0.38 C ATOM 871 O GLU A 56 128.586 6.550 9.511 1.00 0.37 O ATOM 872 CB GLU A 56 129.593 4.986 12.221 1.00 0.39 C ATOM 873 CG GLU A 56 128.179 4.489 11.902 1.00 0.41 C ATOM 874 CD GLU A 56 127.600 3.780 13.129 1.00 0.62 C ATOM 875 OE1 GLU A 56 127.790 2.579 13.239 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.974 4.448 13.935 1.00 0.85 O ATOM 0 H GLU A 56 131.854 5.977 12.296 1.00 0.38 H new ATOM 0 HA GLU A 56 130.315 4.860 10.169 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.205 4.160 12.583 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.555 5.728 13.019 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.542 5.327 11.619 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.205 3.807 11.052 1.00 0.41 H new ATOM 883 N ASP A 57 129.399 7.894 11.028 1.00 0.40 N ATOM 884 CA ASP A 57 128.527 9.013 10.550 1.00 0.41 C ATOM 885 C ASP A 57 128.984 9.508 9.176 1.00 0.40 C ATOM 886 O ASP A 57 128.177 9.818 8.321 1.00 0.40 O ATOM 887 CB ASP A 57 128.573 10.167 11.553 1.00 0.45 C ATOM 888 CG ASP A 57 127.845 9.757 12.836 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.643 9.954 12.900 1.00 0.73 O ATOM 890 OD2 ASP A 57 128.502 9.245 13.727 1.00 0.64 O ATOM 0 H ASP A 57 130.009 8.121 11.813 1.00 0.40 H new ATOM 0 HA ASP A 57 127.506 8.643 10.464 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.607 10.428 11.777 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.106 11.054 11.125 1.00 0.45 H new ATOM 895 N LEU A 58 130.256 9.593 8.954 1.00 0.40 N ATOM 896 CA LEU A 58 130.724 10.079 7.624 1.00 0.40 C ATOM 897 C LEU A 58 130.402 9.034 6.555 1.00 0.37 C ATOM 898 O LEU A 58 129.977 9.365 5.466 1.00 0.38 O ATOM 899 CB LEU A 58 132.233 10.334 7.646 1.00 0.40 C ATOM 900 CG LEU A 58 132.576 11.428 8.666 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.095 11.633 8.686 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.882 12.751 8.283 1.00 0.55 C ATOM 0 H LEU A 58 130.989 9.352 9.621 1.00 0.40 H new ATOM 0 HA LEU A 58 130.212 11.014 7.394 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.760 9.414 7.899 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.572 10.633 6.654 1.00 0.40 H new ATOM 0 HG LEU A 58 132.228 11.122 9.653 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.348 12.409 9.408 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.584 10.701 8.969 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.434 11.935 7.695 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.133 13.519 9.015 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.219 13.066 7.296 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.802 12.604 8.268 1.00 0.55 H new ATOM 914 N PHE A 59 130.570 7.778 6.859 1.00 0.36 N ATOM 915 CA PHE A 59 130.238 6.730 5.855 1.00 0.35 C ATOM 916 C PHE A 59 128.739 6.774 5.551 1.00 0.35 C ATOM 917 O PHE A 59 128.325 6.779 4.409 1.00 0.35 O ATOM 918 CB PHE A 59 130.620 5.346 6.385 1.00 0.34 C ATOM 919 CG PHE A 59 130.154 4.297 5.405 1.00 0.33 C ATOM 920 CD1 PHE A 59 130.996 3.880 4.367 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.874 3.745 5.531 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.558 2.911 3.456 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.435 2.776 4.621 1.00 0.38 C ATOM 924 CZ PHE A 59 129.277 2.359 3.583 1.00 0.36 C ATOM 0 H PHE A 59 130.920 7.433 7.753 1.00 0.36 H new ATOM 0 HA PHE A 59 130.801 6.921 4.942 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.699 5.280 6.522 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.164 5.178 7.361 1.00 0.34 H new ATOM 0 HD1 PHE A 59 131.984 4.306 4.269 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.224 4.067 6.331 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.208 2.589 2.656 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.447 2.350 4.720 1.00 0.38 H new ATOM 0 HZ PHE A 59 128.939 1.612 2.880 1.00 0.36 H new ATOM 934 N ARG A 60 127.922 6.778 6.572 1.00 0.37 N ATOM 935 CA ARG A 60 126.451 6.788 6.346 1.00 0.38 C ATOM 936 C ARG A 60 126.039 8.030 5.560 1.00 0.39 C ATOM 937 O ARG A 60 125.282 7.949 4.612 1.00 0.39 O ATOM 938 CB ARG A 60 125.720 6.794 7.691 1.00 0.42 C ATOM 939 CG ARG A 60 125.892 5.444 8.388 1.00 0.43 C ATOM 940 CD ARG A 60 125.151 5.475 9.726 1.00 0.50 C ATOM 941 NE ARG A 60 125.571 4.313 10.578 1.00 1.31 N ATOM 942 CZ ARG A 60 125.484 3.080 10.153 1.00 1.55 C ATOM 943 NH1 ARG A 60 124.858 2.804 9.042 1.00 1.16 N ATOM 944 NH2 ARG A 60 125.975 2.112 10.877 1.00 2.64 N ATOM 0 H ARG A 60 128.212 6.775 7.550 1.00 0.37 H new ATOM 0 HA ARG A 60 126.186 5.896 5.779 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.112 7.591 8.323 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.661 7.000 7.537 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.501 4.644 7.760 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.950 5.235 8.548 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.361 6.410 10.245 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.075 5.440 9.555 1.00 0.50 H new ATOM 0 HE ARG A 60 125.934 4.490 11.514 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.431 3.553 8.497 1.00 1.16 H new ATOM 0 HH12 ARG A 60 124.795 1.839 8.718 1.00 1.16 H new ATOM 0 HH21 ARG A 60 126.424 2.319 11.769 1.00 2.64 H new ATOM 0 HH22 ARG A 60 125.910 1.148 10.551 1.00 2.64 H new ATOM 958 N GLU A 61 126.521 9.181 5.937 1.00 0.41 N ATOM 959 CA GLU A 61 126.144 10.417 5.201 1.00 0.44 C ATOM 960 C GLU A 61 126.700 10.337 3.779 1.00 0.42 C ATOM 961 O GLU A 61 126.060 10.744 2.829 1.00 0.42 O ATOM 962 CB GLU A 61 126.733 11.633 5.918 1.00 0.48 C ATOM 963 CG GLU A 61 126.005 11.844 7.246 1.00 1.29 C ATOM 964 CD GLU A 61 126.671 12.983 8.021 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.626 13.542 7.507 1.00 2.32 O ATOM 966 OE2 GLU A 61 126.218 13.273 9.116 1.00 2.37 O ATOM 0 H GLU A 61 127.158 9.318 6.721 1.00 0.41 H new ATOM 0 HA GLU A 61 125.059 10.513 5.165 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.798 11.484 6.095 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.635 12.520 5.292 1.00 0.48 H new ATOM 0 HG2 GLU A 61 124.956 12.079 7.064 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.029 10.927 7.835 1.00 1.29 H new ATOM 973 N TRP A 62 127.882 9.812 3.622 1.00 0.40 N ATOM 974 CA TRP A 62 128.474 9.702 2.258 1.00 0.38 C ATOM 975 C TRP A 62 127.642 8.759 1.386 1.00 0.36 C ATOM 976 O TRP A 62 127.328 9.058 0.253 1.00 0.36 O ATOM 977 CB TRP A 62 129.909 9.157 2.367 1.00 0.38 C ATOM 978 CG TRP A 62 130.412 8.764 1.009 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.982 9.599 0.110 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.377 7.448 0.379 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.303 8.879 -1.028 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.949 7.547 -0.911 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.910 6.187 0.800 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.055 6.438 -1.753 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.016 5.071 -0.045 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.587 5.196 -1.318 1.00 0.32 C ATOM 0 H TRP A 62 128.465 9.454 4.378 1.00 0.40 H new ATOM 0 HA TRP A 62 128.483 10.691 1.799 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.562 9.914 2.801 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.930 8.296 3.035 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.158 10.655 0.256 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.747 9.282 -1.853 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.468 6.078 1.779 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.496 6.540 -2.734 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.655 4.109 0.289 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.665 4.333 -1.962 1.00 0.32 H new ATOM 997 N LEU A 63 127.294 7.619 1.904 1.00 0.34 N ATOM 998 CA LEU A 63 126.499 6.648 1.104 1.00 0.32 C ATOM 999 C LEU A 63 125.094 7.198 0.847 1.00 0.33 C ATOM 1000 O LEU A 63 124.598 7.164 -0.262 1.00 0.32 O ATOM 1001 CB LEU A 63 126.417 5.329 1.887 1.00 0.31 C ATOM 1002 CG LEU A 63 125.606 4.278 1.115 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.303 3.925 -0.205 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.485 3.021 1.981 1.00 0.32 C ATOM 0 H LEU A 63 127.526 7.315 2.850 1.00 0.34 H new ATOM 0 HA LEU A 63 126.978 6.480 0.140 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.422 4.951 2.075 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.956 5.507 2.859 1.00 0.31 H new ATOM 0 HG LEU A 63 124.618 4.679 0.888 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.715 3.179 -0.739 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.396 4.821 -0.819 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.295 3.524 0.003 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.911 2.264 1.446 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.480 2.634 2.201 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.978 3.269 2.913 1.00 0.32 H new ATOM 1016 N LYS A 64 124.449 7.703 1.859 1.00 0.35 N ATOM 1017 CA LYS A 64 123.076 8.255 1.677 1.00 0.37 C ATOM 1018 C LYS A 64 123.109 9.443 0.713 1.00 0.39 C ATOM 1019 O LYS A 64 122.317 9.537 -0.203 1.00 0.39 O ATOM 1020 CB LYS A 64 122.515 8.695 3.030 1.00 0.41 C ATOM 1021 CG LYS A 64 121.080 9.201 2.857 1.00 0.43 C ATOM 1022 CD LYS A 64 120.523 9.606 4.219 1.00 0.68 C ATOM 1023 CE LYS A 64 119.095 10.130 4.059 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.189 9.007 3.687 1.00 2.11 N ATOM 0 H LYS A 64 124.814 7.758 2.810 1.00 0.35 H new ATOM 0 HA LYS A 64 122.434 7.481 1.257 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.534 7.860 3.731 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.139 9.482 3.454 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.061 10.052 2.176 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.458 8.423 2.413 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.533 8.751 4.895 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.154 10.374 4.667 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.759 10.589 4.989 1.00 1.25 H new ATOM 0 HE3 LYS A 64 119.065 10.904 3.292 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.200 9.304 3.809 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.352 8.744 2.694 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.382 8.188 4.298 1.00 2.11 H new ATOM 1038 N ASP A 65 124.023 10.353 0.915 1.00 0.41 N ATOM 1039 CA ASP A 65 124.111 11.539 0.014 1.00 0.45 C ATOM 1040 C ASP A 65 124.597 11.103 -1.366 1.00 0.43 C ATOM 1041 O ASP A 65 124.306 11.731 -2.365 1.00 0.46 O ATOM 1042 CB ASP A 65 125.096 12.558 0.592 1.00 0.49 C ATOM 1043 CG ASP A 65 124.479 13.233 1.819 1.00 1.17 C ATOM 1044 OD1 ASP A 65 123.293 13.512 1.782 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.207 13.467 2.770 1.00 1.42 O ATOM 0 H ASP A 65 124.713 10.327 1.665 1.00 0.41 H new ATOM 0 HA ASP A 65 123.123 11.993 -0.071 1.00 0.45 H new ATOM 0 HB2 ASP A 65 126.027 12.063 0.867 1.00 0.49 H new ATOM 0 HB3 ASP A 65 125.344 13.306 -0.161 1.00 0.49 H new ATOM 1050 N THR A 66 125.366 10.052 -1.426 1.00 0.40 N ATOM 1051 CA THR A 66 125.908 9.596 -2.735 1.00 0.39 C ATOM 1052 C THR A 66 124.871 8.788 -3.518 1.00 0.39 C ATOM 1053 O THR A 66 124.863 8.831 -4.733 1.00 0.41 O ATOM 1054 CB THR A 66 127.153 8.738 -2.492 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.161 9.535 -1.886 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.669 8.194 -3.824 1.00 0.39 C ATOM 0 H THR A 66 125.643 9.488 -0.622 1.00 0.40 H new ATOM 0 HA THR A 66 126.165 10.475 -3.327 1.00 0.39 H new ATOM 0 HB THR A 66 126.898 7.906 -1.836 1.00 0.38 H new ATOM 0 HG1 THR A 66 127.874 9.798 -0.987 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.555 7.584 -3.649 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.896 7.585 -4.292 1.00 0.39 H new ATOM 0 HG23 THR A 66 127.925 9.025 -4.482 1.00 0.39 H new ATOM 1064 N CYS A 67 124.017 8.023 -2.870 1.00 0.37 N ATOM 1065 CA CYS A 67 123.021 7.193 -3.630 1.00 0.38 C ATOM 1066 C CYS A 67 121.607 7.337 -3.064 1.00 0.37 C ATOM 1067 O CYS A 67 120.633 7.207 -3.778 1.00 0.40 O ATOM 1068 CB CYS A 67 123.438 5.725 -3.545 1.00 0.37 C ATOM 1069 SG CYS A 67 123.289 5.154 -1.836 1.00 0.36 S ATOM 0 H CYS A 67 123.967 7.938 -1.855 1.00 0.37 H new ATOM 0 HA CYS A 67 123.008 7.541 -4.663 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.810 5.119 -4.198 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.465 5.607 -3.891 1.00 0.37 H new ATOM 0 HG CYS A 67 123.504 6.148 -1.026 1.00 0.36 H new ATOM 1075 N GLY A 68 121.478 7.589 -1.782 1.00 0.36 N ATOM 1076 CA GLY A 68 120.120 7.726 -1.163 1.00 0.36 C ATOM 1077 C GLY A 68 119.814 6.474 -0.336 1.00 0.34 C ATOM 1078 O GLY A 68 118.685 6.232 0.042 1.00 0.34 O ATOM 0 H GLY A 68 122.258 7.706 -1.135 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.084 8.612 -0.530 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.365 7.857 -1.939 1.00 0.36 H new ATOM 1082 N ALA A 69 120.806 5.672 -0.052 1.00 0.33 N ATOM 1083 CA ALA A 69 120.561 4.438 0.750 1.00 0.32 C ATOM 1084 C ALA A 69 119.774 4.803 2.007 1.00 0.31 C ATOM 1085 O ALA A 69 119.864 5.907 2.505 1.00 0.32 O ATOM 1086 CB ALA A 69 121.899 3.812 1.151 1.00 0.32 C ATOM 0 H ALA A 69 121.774 5.818 -0.340 1.00 0.33 H new ATOM 0 HA ALA A 69 119.992 3.724 0.155 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.718 2.911 1.737 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.464 3.555 0.255 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.470 4.524 1.747 1.00 0.32 H new ATOM 1092 N ASN A 70 118.992 3.892 2.521 1.00 0.30 N ATOM 1093 CA ASN A 70 118.187 4.199 3.740 1.00 0.30 C ATOM 1094 C ASN A 70 118.989 3.829 4.989 1.00 0.30 C ATOM 1095 O ASN A 70 120.044 3.233 4.911 1.00 0.29 O ATOM 1096 CB ASN A 70 116.893 3.381 3.711 1.00 0.30 C ATOM 1097 CG ASN A 70 115.987 3.879 2.582 1.00 1.06 C ATOM 1098 OD1 ASN A 70 116.285 4.987 1.959 1.00 1.90 O flip ATOM 1099 ND2 ASN A 70 114.997 3.251 2.262 1.00 1.77 N flip ATOM 0 H ASN A 70 118.875 2.949 2.150 1.00 0.30 H new ATOM 0 HA ASN A 70 117.950 5.263 3.761 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.123 2.325 3.566 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.377 3.466 4.667 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.763 2.385 2.748 1.00 1.77 H new ATOM 0 HD22 ASN A 70 114.400 3.590 1.507 1.00 1.77 H new ATOM 1106 N ALA A 71 118.496 4.193 6.139 1.00 0.32 N ATOM 1107 CA ALA A 71 119.223 3.885 7.401 1.00 0.34 C ATOM 1108 C ALA A 71 119.400 2.372 7.560 1.00 0.32 C ATOM 1109 O ALA A 71 120.397 1.913 8.078 1.00 0.32 O ATOM 1110 CB ALA A 71 118.429 4.424 8.590 1.00 0.39 C ATOM 0 H ALA A 71 117.615 4.694 6.260 1.00 0.32 H new ATOM 0 HA ALA A 71 120.205 4.356 7.363 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.961 4.199 9.515 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.314 5.503 8.491 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.445 3.955 8.614 1.00 0.39 H new ATOM 1116 N LYS A 72 118.442 1.590 7.140 1.00 0.30 N ATOM 1117 CA LYS A 72 118.585 0.115 7.303 1.00 0.29 C ATOM 1118 C LYS A 72 119.641 -0.418 6.333 1.00 0.27 C ATOM 1119 O LYS A 72 120.433 -1.276 6.670 1.00 0.27 O ATOM 1120 CB LYS A 72 117.240 -0.561 7.020 1.00 0.29 C ATOM 1121 CG LYS A 72 116.221 -0.135 8.079 1.00 1.18 C ATOM 1122 CD LYS A 72 114.876 -0.809 7.802 1.00 1.29 C ATOM 1123 CE LYS A 72 113.862 -0.378 8.864 1.00 2.11 C ATOM 1124 NZ LYS A 72 112.606 -1.164 8.703 1.00 2.58 N ATOM 0 H LYS A 72 117.578 1.903 6.697 1.00 0.30 H new ATOM 0 HA LYS A 72 118.897 -0.105 8.324 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.885 -0.286 6.027 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.357 -1.645 7.028 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.578 -0.409 9.072 1.00 1.18 H new ATOM 0 HG3 LYS A 72 116.104 0.949 8.070 1.00 1.18 H new ATOM 0 HD2 LYS A 72 114.518 -0.536 6.809 1.00 1.29 H new ATOM 0 HD3 LYS A 72 114.991 -1.893 7.812 1.00 1.29 H new ATOM 0 HE2 LYS A 72 114.275 -0.534 9.861 1.00 2.11 H new ATOM 0 HE3 LYS A 72 113.651 0.687 8.769 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 111.918 -0.870 9.425 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 112.209 -0.994 7.757 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 112.814 -2.177 8.814 1.00 2.58 H new ATOM 1138 N GLN A 73 119.644 0.069 5.121 1.00 0.26 N ATOM 1139 CA GLN A 73 120.627 -0.419 4.116 1.00 0.25 C ATOM 1140 C GLN A 73 122.038 -0.004 4.518 1.00 0.25 C ATOM 1141 O GLN A 73 122.984 -0.753 4.374 1.00 0.25 O ATOM 1142 CB GLN A 73 120.293 0.181 2.750 1.00 0.26 C ATOM 1143 CG GLN A 73 118.998 -0.439 2.224 1.00 0.29 C ATOM 1144 CD GLN A 73 118.640 0.188 0.876 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.211 1.420 0.838 1.00 2.12 O flip ATOM 1146 NE2 GLN A 73 118.753 -0.448 -0.154 1.00 1.88 N flip ATOM 0 H GLN A 73 119.003 0.788 4.784 1.00 0.26 H new ATOM 0 HA GLN A 73 120.576 -1.507 4.066 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.184 1.262 2.833 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.108 -0.004 2.050 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.117 -1.517 2.115 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.190 -0.278 2.937 1.00 0.29 H new ATOM 0 HE21 GLN A 73 119.088 -1.411 -0.125 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.513 -0.019 -1.047 1.00 1.88 H new ATOM 1155 N SER A 74 122.187 1.191 5.015 1.00 0.26 N ATOM 1156 CA SER A 74 123.532 1.671 5.421 1.00 0.27 C ATOM 1157 C SER A 74 124.065 0.831 6.582 1.00 0.26 C ATOM 1158 O SER A 74 125.239 0.527 6.648 1.00 0.26 O ATOM 1159 CB SER A 74 123.431 3.130 5.851 1.00 0.30 C ATOM 1160 OG SER A 74 122.951 3.908 4.763 1.00 1.36 O ATOM 0 H SER A 74 121.429 1.858 5.158 1.00 0.26 H new ATOM 0 HA SER A 74 124.217 1.578 4.578 1.00 0.27 H new ATOM 0 HB2 SER A 74 122.759 3.224 6.704 1.00 0.30 H new ATOM 0 HB3 SER A 74 124.407 3.495 6.172 1.00 0.30 H new ATOM 0 HG SER A 74 121.980 3.801 4.688 1.00 1.36 H new ATOM 1166 N ARG A 75 123.220 0.461 7.510 1.00 0.27 N ATOM 1167 CA ARG A 75 123.688 -0.346 8.671 1.00 0.28 C ATOM 1168 C ARG A 75 124.278 -1.656 8.160 1.00 0.26 C ATOM 1169 O ARG A 75 125.254 -2.150 8.691 1.00 0.27 O ATOM 1170 CB ARG A 75 122.496 -0.649 9.589 1.00 0.30 C ATOM 1171 CG ARG A 75 122.021 0.634 10.297 1.00 0.33 C ATOM 1172 CD ARG A 75 122.847 0.892 11.562 1.00 0.61 C ATOM 1173 NE ARG A 75 122.452 -0.087 12.613 1.00 1.34 N ATOM 1174 CZ ARG A 75 123.198 -0.248 13.672 1.00 1.81 C ATOM 1175 NH1 ARG A 75 124.296 0.442 13.811 1.00 1.88 N ATOM 1176 NH2 ARG A 75 122.844 -1.102 14.593 1.00 2.80 N ATOM 0 H ARG A 75 122.225 0.685 7.512 1.00 0.27 H new ATOM 0 HA ARG A 75 124.445 0.207 9.226 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.679 -1.073 9.006 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.781 -1.396 10.330 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.109 1.483 9.619 1.00 0.33 H new ATOM 0 HG3 ARG A 75 120.967 0.542 10.558 1.00 0.33 H new ATOM 0 HD2 ARG A 75 123.910 0.798 11.342 1.00 0.61 H new ATOM 0 HD3 ARG A 75 122.684 1.910 11.916 1.00 0.61 H new ATOM 0 HE ARG A 75 121.597 -0.633 12.505 1.00 1.34 H new ATOM 0 HH11 ARG A 75 124.574 1.109 13.091 1.00 1.88 H new ATOM 0 HH12 ARG A 75 124.877 0.314 14.639 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.986 -1.642 14.485 1.00 2.80 H new ATOM 0 HH22 ARG A 75 123.426 -1.229 15.421 1.00 2.80 H new ATOM 1190 N ASP A 76 123.692 -2.246 7.156 1.00 0.25 N ATOM 1191 CA ASP A 76 124.208 -3.539 6.639 1.00 0.24 C ATOM 1192 C ASP A 76 125.566 -3.346 5.967 1.00 0.23 C ATOM 1193 O ASP A 76 126.455 -4.159 6.122 1.00 0.23 O ATOM 1194 CB ASP A 76 123.213 -4.103 5.624 1.00 0.24 C ATOM 1195 CG ASP A 76 121.946 -4.555 6.352 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.030 -4.814 7.542 1.00 0.40 O ATOM 1197 OD2 ASP A 76 120.912 -4.630 5.710 1.00 0.39 O ATOM 0 H ASP A 76 122.872 -1.883 6.670 1.00 0.25 H new ATOM 0 HA ASP A 76 124.328 -4.232 7.472 1.00 0.24 H new ATOM 0 HB2 ASP A 76 122.967 -3.346 4.880 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.658 -4.943 5.090 1.00 0.24 H new ATOM 1202 N CYS A 77 125.756 -2.285 5.231 1.00 0.22 N ATOM 1203 CA CYS A 77 127.077 -2.080 4.578 1.00 0.22 C ATOM 1204 C CYS A 77 128.136 -1.774 5.636 1.00 0.22 C ATOM 1205 O CYS A 77 129.254 -2.236 5.549 1.00 0.21 O ATOM 1206 CB CYS A 77 126.987 -0.911 3.598 1.00 0.23 C ATOM 1207 SG CYS A 77 126.084 -1.438 2.124 1.00 0.24 S ATOM 0 H CYS A 77 125.061 -1.559 5.056 1.00 0.22 H new ATOM 0 HA CYS A 77 127.355 -2.987 4.041 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.481 -0.067 4.066 1.00 0.23 H new ATOM 0 HB3 CYS A 77 127.986 -0.572 3.325 1.00 0.23 H new ATOM 0 HG CYS A 77 126.078 -2.736 2.060 1.00 0.24 H new ATOM 1213 N PHE A 78 127.816 -0.993 6.628 1.00 0.23 N ATOM 1214 CA PHE A 78 128.849 -0.675 7.648 1.00 0.25 C ATOM 1215 C PHE A 78 129.344 -1.962 8.304 1.00 0.24 C ATOM 1216 O PHE A 78 130.514 -2.286 8.252 1.00 0.23 O ATOM 1217 CB PHE A 78 128.255 0.251 8.708 1.00 0.29 C ATOM 1218 CG PHE A 78 129.295 0.522 9.765 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.167 1.608 9.629 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.387 -0.314 10.884 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.133 1.857 10.611 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.351 -0.065 11.866 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.224 1.021 11.730 1.00 0.43 C ATOM 0 H PHE A 78 126.901 -0.568 6.775 1.00 0.23 H new ATOM 0 HA PHE A 78 129.689 -0.177 7.165 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.931 1.186 8.251 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.374 -0.207 9.156 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.095 2.254 8.766 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.713 -1.152 10.989 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.808 2.694 10.505 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.422 -0.710 12.729 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.968 1.214 12.489 1.00 0.43 H new ATOM 1233 N GLY A 79 128.467 -2.696 8.928 1.00 0.25 N ATOM 1234 CA GLY A 79 128.889 -3.957 9.596 1.00 0.26 C ATOM 1235 C GLY A 79 129.498 -4.917 8.569 1.00 0.24 C ATOM 1236 O GLY A 79 130.391 -5.680 8.867 1.00 0.24 O ATOM 0 H GLY A 79 127.474 -2.476 9.004 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.617 -3.738 10.377 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.032 -4.426 10.081 1.00 0.26 H new ATOM 1240 N CYS A 80 129.023 -4.881 7.363 1.00 0.22 N ATOM 1241 CA CYS A 80 129.585 -5.794 6.328 1.00 0.22 C ATOM 1242 C CYS A 80 131.014 -5.376 5.982 1.00 0.22 C ATOM 1243 O CYS A 80 131.919 -6.186 5.980 1.00 0.23 O ATOM 1244 CB CYS A 80 128.717 -5.734 5.075 1.00 0.22 C ATOM 1245 SG CYS A 80 129.339 -6.913 3.850 1.00 0.25 S ATOM 0 H CYS A 80 128.275 -4.265 7.045 1.00 0.22 H new ATOM 0 HA CYS A 80 129.597 -6.812 6.717 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.682 -5.966 5.326 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.726 -4.725 4.662 1.00 0.22 H new ATOM 0 HG CYS A 80 129.274 -6.382 2.665 1.00 0.25 H new ATOM 1251 N LEU A 81 131.235 -4.123 5.699 1.00 0.21 N ATOM 1252 CA LEU A 81 132.623 -3.697 5.373 1.00 0.21 C ATOM 1253 C LEU A 81 133.472 -3.724 6.654 1.00 0.22 C ATOM 1254 O LEU A 81 134.620 -4.123 6.639 1.00 0.22 O ATOM 1255 CB LEU A 81 132.595 -2.275 4.800 1.00 0.22 C ATOM 1256 CG LEU A 81 131.727 -2.232 3.530 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.699 -0.799 2.988 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.292 -3.182 2.458 1.00 0.28 C ATOM 0 H LEU A 81 130.529 -3.387 5.679 1.00 0.21 H new ATOM 0 HA LEU A 81 133.056 -4.374 4.636 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.199 -1.583 5.543 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.609 -1.948 4.568 1.00 0.22 H new ATOM 0 HG LEU A 81 130.716 -2.554 3.779 1.00 0.24 H new ATOM 0 HD11 LEU A 81 131.085 -0.762 2.088 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.278 -0.133 3.741 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.714 -0.481 2.749 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.666 -3.139 1.567 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.308 -2.880 2.203 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.303 -4.201 2.844 1.00 0.28 H new ATOM 1270 N ARG A 82 132.916 -3.295 7.764 1.00 0.22 N ATOM 1271 CA ARG A 82 133.684 -3.285 9.049 1.00 0.24 C ATOM 1272 C ARG A 82 134.112 -4.711 9.417 1.00 0.25 C ATOM 1273 O ARG A 82 135.225 -4.940 9.847 1.00 0.26 O ATOM 1274 CB ARG A 82 132.791 -2.704 10.163 1.00 0.28 C ATOM 1275 CG ARG A 82 133.526 -2.663 11.522 1.00 0.33 C ATOM 1276 CD ARG A 82 134.425 -1.420 11.614 1.00 0.84 C ATOM 1277 NE ARG A 82 135.564 -1.698 12.548 1.00 1.41 N ATOM 1278 CZ ARG A 82 135.358 -2.151 13.757 1.00 1.95 C ATOM 1279 NH1 ARG A 82 134.151 -2.191 14.253 1.00 2.25 N ATOM 1280 NH2 ARG A 82 136.373 -2.515 14.493 1.00 2.73 N ATOM 0 H ARG A 82 131.959 -2.950 7.834 1.00 0.22 H new ATOM 0 HA ARG A 82 134.577 -2.671 8.934 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.476 -1.697 9.889 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.887 -3.306 10.256 1.00 0.28 H new ATOM 0 HG2 ARG A 82 132.799 -2.654 12.334 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.128 -3.564 11.643 1.00 0.33 H new ATOM 0 HD2 ARG A 82 134.805 -1.159 10.627 1.00 0.84 H new ATOM 0 HD3 ARG A 82 133.849 -0.566 11.970 1.00 0.84 H new ATOM 0 HE ARG A 82 136.520 -1.530 12.234 1.00 1.41 H new ATOM 0 HH11 ARG A 82 133.360 -1.867 13.696 1.00 2.25 H new ATOM 0 HH12 ARG A 82 133.999 -2.546 15.197 1.00 2.25 H new ATOM 0 HH21 ARG A 82 137.321 -2.445 14.124 1.00 2.73 H new ATOM 0 HH22 ARG A 82 136.218 -2.869 15.437 1.00 2.73 H new ATOM 1294 N GLU A 83 133.240 -5.667 9.261 1.00 0.25 N ATOM 1295 CA GLU A 83 133.604 -7.070 9.612 1.00 0.28 C ATOM 1296 C GLU A 83 134.624 -7.618 8.614 1.00 0.27 C ATOM 1297 O GLU A 83 135.522 -8.346 8.988 1.00 0.29 O ATOM 1298 CB GLU A 83 132.341 -7.952 9.629 1.00 0.30 C ATOM 1299 CG GLU A 83 131.610 -7.830 10.982 1.00 0.33 C ATOM 1300 CD GLU A 83 131.603 -6.380 11.479 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.544 -6.005 12.159 1.00 1.56 O ATOM 1302 OE2 GLU A 83 130.664 -5.669 11.169 1.00 1.91 O ATOM 0 H GLU A 83 132.292 -5.539 8.906 1.00 0.25 H new ATOM 0 HA GLU A 83 134.053 -7.081 10.605 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.673 -7.655 8.821 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.615 -8.992 9.450 1.00 0.30 H new ATOM 0 HG2 GLU A 83 130.585 -8.187 10.878 1.00 0.33 H new ATOM 0 HG3 GLU A 83 132.096 -8.468 11.720 1.00 0.33 H new ATOM 1309 N TRP A 84 134.529 -7.274 7.359 1.00 0.25 N ATOM 1310 CA TRP A 84 135.536 -7.785 6.392 1.00 0.25 C ATOM 1311 C TRP A 84 136.910 -7.295 6.849 1.00 0.27 C ATOM 1312 O TRP A 84 137.882 -8.023 6.839 1.00 0.28 O ATOM 1313 CB TRP A 84 135.240 -7.243 4.991 1.00 0.25 C ATOM 1314 CG TRP A 84 136.183 -7.870 4.018 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.940 -9.010 3.331 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.512 -7.429 3.621 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.034 -9.296 2.536 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.030 -8.351 2.680 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.310 -6.329 3.982 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.296 -8.188 2.118 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.585 -6.161 3.419 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.078 -7.088 2.489 1.00 0.37 C ATOM 0 H TRP A 84 133.807 -6.669 6.967 1.00 0.25 H new ATOM 0 HA TRP A 84 135.506 -8.874 6.355 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.210 -7.463 4.712 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.349 -6.159 4.976 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.038 -9.601 3.394 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.098 -10.106 1.919 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.940 -5.609 4.697 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.670 -8.905 1.402 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.190 -5.313 3.704 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.060 -6.953 2.060 1.00 0.37 H new ATOM 1333 N CYS A 85 136.989 -6.053 7.246 1.00 0.27 N ATOM 1334 CA CYS A 85 138.288 -5.485 7.703 1.00 0.30 C ATOM 1335 C CYS A 85 138.799 -6.259 8.924 1.00 0.33 C ATOM 1336 O CYS A 85 139.975 -6.535 9.052 1.00 0.36 O ATOM 1337 CB CYS A 85 138.072 -4.015 8.081 1.00 0.33 C ATOM 1338 SG CYS A 85 137.957 -3.019 6.574 1.00 0.33 S ATOM 0 H CYS A 85 136.203 -5.404 7.273 1.00 0.27 H new ATOM 0 HA CYS A 85 139.026 -5.564 6.904 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.161 -3.909 8.671 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.896 -3.662 8.701 1.00 0.33 H new ATOM 0 HG CYS A 85 137.771 -1.772 6.891 1.00 0.33 H new ATOM 1344 N ASP A 86 137.925 -6.610 9.819 1.00 0.34 N ATOM 1345 CA ASP A 86 138.355 -7.359 11.032 1.00 0.39 C ATOM 1346 C ASP A 86 139.005 -8.687 10.633 1.00 0.41 C ATOM 1347 O ASP A 86 139.907 -9.167 11.290 1.00 0.43 O ATOM 1348 CB ASP A 86 137.142 -7.631 11.923 1.00 0.41 C ATOM 1349 CG ASP A 86 136.660 -6.318 12.543 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.438 -5.378 12.568 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.525 -6.277 12.989 1.00 0.51 O ATOM 0 H ASP A 86 136.926 -6.411 9.765 1.00 0.34 H new ATOM 0 HA ASP A 86 139.083 -6.759 11.578 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.342 -8.085 11.338 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.405 -8.341 12.707 1.00 0.41 H new ATOM 1356 N ALA A 87 138.542 -9.297 9.574 1.00 0.41 N ATOM 1357 CA ALA A 87 139.123 -10.609 9.150 1.00 0.43 C ATOM 1358 C ALA A 87 140.257 -10.407 8.134 1.00 0.43 C ATOM 1359 O ALA A 87 141.201 -11.172 8.098 1.00 0.48 O ATOM 1360 CB ALA A 87 138.017 -11.459 8.516 1.00 0.41 C ATOM 0 H ALA A 87 137.788 -8.946 8.984 1.00 0.41 H new ATOM 0 HA ALA A 87 139.534 -11.111 10.026 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.429 -12.418 8.203 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.223 -11.626 9.244 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.610 -10.939 7.649 1.00 0.41 H new ATOM 1366 N PHE A 88 140.158 -9.410 7.286 1.00 0.40 N ATOM 1367 CA PHE A 88 141.216 -9.187 6.238 1.00 0.44 C ATOM 1368 C PHE A 88 142.044 -7.929 6.523 1.00 0.54 C ATOM 1369 O PHE A 88 142.893 -7.559 5.737 1.00 1.24 O ATOM 1370 CB PHE A 88 140.542 -9.007 4.877 1.00 0.41 C ATOM 1371 CG PHE A 88 139.929 -10.306 4.417 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.690 -11.208 3.667 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.596 -10.600 4.728 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.120 -12.407 3.227 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.025 -11.799 4.285 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.787 -12.702 3.534 1.00 0.45 C ATOM 0 H PHE A 88 139.391 -8.738 7.271 1.00 0.40 H new ATOM 0 HA PHE A 88 141.877 -10.053 6.247 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.772 -8.238 4.944 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.273 -8.663 4.145 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.718 -10.979 3.428 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.009 -9.903 5.308 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.709 -13.105 2.650 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.997 -12.027 4.523 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.346 -13.626 3.192 1.00 0.45 H new ATOM 1386 N LEU A 89 141.788 -7.241 7.602 1.00 0.39 N ATOM 1387 CA LEU A 89 142.548 -5.980 7.881 1.00 0.36 C ATOM 1388 C LEU A 89 142.805 -5.855 9.387 1.00 0.87 C ATOM 1389 O LEU A 89 141.881 -5.500 10.099 1.00 1.43 O ATOM 1390 CB LEU A 89 141.686 -4.806 7.405 1.00 0.74 C ATOM 1391 CG LEU A 89 142.527 -3.529 7.219 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.237 -3.546 5.852 1.00 1.00 C ATOM 1393 CD2 LEU A 89 141.607 -2.298 7.307 1.00 1.28 C ATOM 1394 OXT LEU A 89 143.924 -6.114 9.799 1.00 1.66 O ATOM 0 H LEU A 89 141.090 -7.492 8.302 1.00 0.39 H new ATOM 0 HA LEU A 89 143.508 -5.987 7.364 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.203 -5.066 6.463 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.893 -4.619 8.129 1.00 0.74 H new ATOM 0 HG LEU A 89 143.282 -3.484 8.004 1.00 0.47 H new ATOM 0 HD11 LEU A 89 143.827 -2.637 5.737 1.00 1.00 H new ATOM 0 HD12 LEU A 89 143.894 -4.414 5.794 1.00 1.00 H new ATOM 0 HD13 LEU A 89 142.494 -3.599 5.057 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.198 -1.392 7.176 1.00 1.28 H new ATOM 0 HD22 LEU A 89 140.849 -2.353 6.525 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.121 -2.276 8.282 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 161.715 -4.593 -5.961 1.00 3.74 N ATOM 1408 CA MET B 1 162.095 -3.213 -6.378 1.00 3.26 C ATOM 1409 C MET B 1 163.153 -2.663 -5.417 1.00 2.28 C ATOM 1410 O MET B 1 163.127 -1.505 -5.050 1.00 2.68 O ATOM 1411 CB MET B 1 160.858 -2.309 -6.337 1.00 3.75 C ATOM 1412 CG MET B 1 159.866 -2.734 -7.422 1.00 4.33 C ATOM 1413 SD MET B 1 158.412 -1.655 -7.360 1.00 5.04 S ATOM 1414 CE MET B 1 157.507 -2.375 -8.754 1.00 5.66 C ATOM 0 H1 MET B 1 161.909 -5.256 -6.738 1.00 3.74 H new ATOM 0 H2 MET B 1 162.269 -4.868 -5.125 1.00 3.74 H new ATOM 0 H3 MET B 1 160.702 -4.619 -5.729 1.00 3.74 H new ATOM 0 HA MET B 1 162.497 -3.238 -7.391 1.00 3.26 H new ATOM 0 HB2 MET B 1 160.386 -2.369 -5.357 1.00 3.75 H new ATOM 0 HB3 MET B 1 161.151 -1.270 -6.487 1.00 3.75 H new ATOM 0 HG2 MET B 1 160.336 -2.674 -8.404 1.00 4.33 H new ATOM 0 HG3 MET B 1 159.569 -3.772 -7.273 1.00 4.33 H new ATOM 0 HE1 MET B 1 156.564 -1.845 -8.888 1.00 5.66 H new ATOM 0 HE2 MET B 1 158.105 -2.287 -9.661 1.00 5.66 H new ATOM 0 HE3 MET B 1 157.306 -3.427 -8.553 1.00 5.66 H new ATOM 1426 N THR B 2 164.081 -3.485 -5.001 1.00 1.63 N ATOM 1427 CA THR B 2 165.138 -3.009 -4.058 1.00 1.44 C ATOM 1428 C THR B 2 164.476 -2.400 -2.822 1.00 1.17 C ATOM 1429 O THR B 2 164.941 -1.420 -2.276 1.00 1.22 O ATOM 1430 CB THR B 2 166.002 -1.944 -4.741 1.00 2.22 C ATOM 1431 OG1 THR B 2 165.318 -0.698 -4.725 1.00 2.78 O ATOM 1432 CG2 THR B 2 166.283 -2.354 -6.187 1.00 3.02 C ATOM 0 H THR B 2 164.153 -4.465 -5.273 1.00 1.63 H new ATOM 0 HA THR B 2 165.765 -3.852 -3.766 1.00 1.44 H new ATOM 0 HB THR B 2 166.946 -1.849 -4.205 1.00 2.22 H new ATOM 0 HG1 THR B 2 164.521 -0.755 -5.292 1.00 2.78 H new ATOM 0 HG21 THR B 2 166.898 -1.593 -6.668 1.00 3.02 H new ATOM 0 HG22 THR B 2 166.811 -3.308 -6.199 1.00 3.02 H new ATOM 0 HG23 THR B 2 165.341 -2.454 -6.726 1.00 3.02 H new ATOM 1440 N THR B 3 163.385 -2.965 -2.383 1.00 0.96 N ATOM 1441 CA THR B 3 162.684 -2.410 -1.192 1.00 0.76 C ATOM 1442 C THR B 3 163.350 -2.900 0.099 1.00 0.69 C ATOM 1443 O THR B 3 164.068 -3.880 0.111 1.00 0.75 O ATOM 1444 CB THR B 3 161.223 -2.858 -1.214 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.143 -4.218 -0.810 1.00 0.80 O ATOM 1446 CG2 THR B 3 160.655 -2.715 -2.630 1.00 0.76 C ATOM 0 H THR B 3 162.949 -3.788 -2.799 1.00 0.96 H new ATOM 0 HA THR B 3 162.740 -1.322 -1.223 1.00 0.76 H new ATOM 0 HB THR B 3 160.645 -2.235 -0.531 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.482 -4.685 -1.362 1.00 0.80 H new ATOM 0 HG21 THR B 3 159.613 -3.036 -2.638 1.00 0.76 H new ATOM 0 HG22 THR B 3 160.716 -1.673 -2.943 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.231 -3.334 -3.317 1.00 0.76 H new ATOM 1454 N SER B 4 163.105 -2.218 1.187 1.00 0.63 N ATOM 1455 CA SER B 4 163.706 -2.625 2.491 1.00 0.62 C ATOM 1456 C SER B 4 162.920 -3.803 3.072 1.00 0.60 C ATOM 1457 O SER B 4 161.903 -4.212 2.547 1.00 0.58 O ATOM 1458 CB SER B 4 163.646 -1.447 3.465 1.00 0.63 C ATOM 1459 OG SER B 4 164.153 -1.854 4.729 1.00 1.50 O ATOM 0 H SER B 4 162.510 -1.391 1.228 1.00 0.63 H new ATOM 0 HA SER B 4 164.743 -2.922 2.336 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.229 -0.611 3.079 1.00 0.63 H new ATOM 0 HB3 SER B 4 162.619 -1.098 3.568 1.00 0.63 H new ATOM 0 HG SER B 4 164.117 -1.100 5.354 1.00 1.50 H new ATOM 1465 N GLN B 5 163.408 -4.359 4.150 1.00 0.63 N ATOM 1466 CA GLN B 5 162.727 -5.525 4.784 1.00 0.64 C ATOM 1467 C GLN B 5 161.307 -5.143 5.202 1.00 0.60 C ATOM 1468 O GLN B 5 160.443 -5.989 5.325 1.00 0.60 O ATOM 1469 CB GLN B 5 163.523 -5.976 6.016 1.00 0.71 C ATOM 1470 CG GLN B 5 162.830 -7.177 6.674 1.00 1.34 C ATOM 1471 CD GLN B 5 163.641 -7.635 7.887 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.181 -6.824 8.613 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.747 -8.911 8.141 1.00 2.18 N ATOM 0 H GLN B 5 164.258 -4.051 4.622 1.00 0.63 H new ATOM 0 HA GLN B 5 162.676 -6.341 4.063 1.00 0.64 H new ATOM 0 HB2 GLN B 5 164.538 -6.245 5.725 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.603 -5.155 6.729 1.00 0.71 H new ATOM 0 HG2 GLN B 5 161.820 -6.904 6.981 1.00 1.34 H new ATOM 0 HG3 GLN B 5 162.736 -7.993 5.957 1.00 1.34 H new ATOM 0 HE21 GLN B 5 163.294 -9.592 7.531 1.00 2.18 H new ATOM 0 HE22 GLN B 5 164.283 -9.227 8.949 1.00 2.18 H new ATOM 1482 N LYS B 6 161.053 -3.883 5.432 1.00 0.59 N ATOM 1483 CA LYS B 6 159.688 -3.462 5.851 1.00 0.57 C ATOM 1484 C LYS B 6 158.689 -3.857 4.761 1.00 0.51 C ATOM 1485 O LYS B 6 157.563 -4.213 5.040 1.00 0.50 O ATOM 1486 CB LYS B 6 159.663 -1.938 6.048 1.00 0.58 C ATOM 1487 CG LYS B 6 160.289 -1.560 7.401 1.00 0.66 C ATOM 1488 CD LYS B 6 161.806 -1.768 7.357 1.00 0.80 C ATOM 1489 CE LYS B 6 162.439 -1.157 8.608 1.00 1.25 C ATOM 1490 NZ LYS B 6 161.853 -1.791 9.822 1.00 2.01 N ATOM 0 H LYS B 6 161.733 -3.128 5.347 1.00 0.59 H new ATOM 0 HA LYS B 6 159.420 -3.950 6.788 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.209 -1.452 5.239 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.636 -1.576 6.002 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.064 -0.520 7.637 1.00 0.66 H new ATOM 0 HG3 LYS B 6 159.854 -2.168 8.194 1.00 0.66 H new ATOM 0 HD2 LYS B 6 162.037 -2.832 7.302 1.00 0.80 H new ATOM 0 HD3 LYS B 6 162.222 -1.305 6.462 1.00 0.80 H new ATOM 0 HE2 LYS B 6 163.519 -1.306 8.592 1.00 1.25 H new ATOM 0 HE3 LYS B 6 162.266 -0.081 8.627 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 162.436 -1.558 10.651 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.887 -1.435 9.967 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 161.827 -2.823 9.696 1.00 2.01 H new ATOM 1504 N HIS B 7 159.084 -3.789 3.522 1.00 0.49 N ATOM 1505 CA HIS B 7 158.145 -4.152 2.425 1.00 0.45 C ATOM 1506 C HIS B 7 157.690 -5.604 2.577 1.00 0.45 C ATOM 1507 O HIS B 7 156.514 -5.902 2.515 1.00 0.43 O ATOM 1508 CB HIS B 7 158.857 -3.964 1.080 1.00 0.45 C ATOM 1509 CG HIS B 7 158.060 -4.587 -0.038 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.789 -5.898 -0.352 1.00 0.39 N flip ATOM 1511 CD2 HIS B 7 157.436 -3.829 -1.019 1.00 0.45 C flip ATOM 1512 CE1 HIS B 7 157.017 -5.950 -1.506 1.00 0.38 C flip ATOM 1513 NE2 HIS B 7 156.830 -4.681 -1.869 1.00 0.42 N flip ATOM 0 H HIS B 7 160.014 -3.498 3.221 1.00 0.49 H new ATOM 0 HA HIS B 7 157.266 -3.509 2.470 1.00 0.45 H new ATOM 0 HB2 HIS B 7 158.999 -2.901 0.884 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.848 -4.415 1.122 1.00 0.45 H new ATOM 0 HD2 HIS B 7 157.436 -2.751 -1.089 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.646 -6.833 -2.004 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.295 -4.391 -2.688 1.00 0.42 H new ATOM 1521 N ARG B 8 158.609 -6.515 2.770 1.00 0.48 N ATOM 1522 CA ARG B 8 158.227 -7.942 2.917 1.00 0.50 C ATOM 1523 C ARG B 8 157.505 -8.149 4.253 1.00 0.51 C ATOM 1524 O ARG B 8 156.635 -8.986 4.372 1.00 0.51 O ATOM 1525 CB ARG B 8 159.490 -8.810 2.862 1.00 0.55 C ATOM 1526 CG ARG B 8 160.058 -8.798 1.437 1.00 0.57 C ATOM 1527 CD ARG B 8 161.320 -9.666 1.386 1.00 1.00 C ATOM 1528 NE ARG B 8 162.031 -9.479 0.073 1.00 1.70 N ATOM 1529 CZ ARG B 8 161.446 -9.713 -1.073 1.00 2.29 C ATOM 1530 NH1 ARG B 8 160.261 -10.257 -1.121 1.00 2.43 N ATOM 1531 NH2 ARG B 8 162.077 -9.446 -2.186 1.00 3.23 N ATOM 0 H ARG B 8 159.610 -6.326 2.832 1.00 0.48 H new ATOM 0 HA ARG B 8 157.556 -8.228 2.107 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.234 -8.433 3.564 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.256 -9.831 3.163 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.315 -9.175 0.734 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.293 -7.777 1.136 1.00 0.57 H new ATOM 0 HD2 ARG B 8 161.985 -9.401 2.208 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.054 -10.715 1.517 1.00 1.00 H new ATOM 0 HE ARG B 8 163.000 -9.160 0.077 1.00 1.70 H new ATOM 0 HH11 ARG B 8 159.779 -10.506 -0.257 1.00 2.43 H new ATOM 0 HH12 ARG B 8 159.817 -10.434 -2.022 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.020 -9.058 -2.157 1.00 3.23 H new ATOM 0 HH22 ARG B 8 161.627 -9.626 -3.083 1.00 3.23 H new ATOM 1545 N ASP B 9 157.856 -7.392 5.257 1.00 0.52 N ATOM 1546 CA ASP B 9 157.181 -7.557 6.577 1.00 0.54 C ATOM 1547 C ASP B 9 155.726 -7.092 6.476 1.00 0.49 C ATOM 1548 O ASP B 9 154.831 -7.686 7.041 1.00 0.48 O ATOM 1549 CB ASP B 9 157.894 -6.724 7.646 1.00 0.61 C ATOM 1550 CG ASP B 9 159.263 -7.335 7.952 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.471 -8.482 7.597 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.077 -6.646 8.545 1.00 0.76 O ATOM 0 H ASP B 9 158.576 -6.671 5.222 1.00 0.52 H new ATOM 0 HA ASP B 9 157.217 -8.610 6.855 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.013 -5.697 7.300 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.291 -6.687 8.553 1.00 0.61 H new ATOM 1557 N PHE B 10 155.488 -6.021 5.773 1.00 0.46 N ATOM 1558 CA PHE B 10 154.094 -5.504 5.652 1.00 0.43 C ATOM 1559 C PHE B 10 153.206 -6.541 4.952 1.00 0.37 C ATOM 1560 O PHE B 10 152.119 -6.845 5.405 1.00 0.36 O ATOM 1561 CB PHE B 10 154.117 -4.201 4.847 1.00 0.45 C ATOM 1562 CG PHE B 10 152.764 -3.533 4.901 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.450 -2.675 5.962 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.829 -3.757 3.883 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.203 -2.041 6.006 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.580 -3.124 3.928 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.268 -2.266 4.989 1.00 0.43 C ATOM 0 H PHE B 10 156.197 -5.481 5.277 1.00 0.46 H new ATOM 0 HA PHE B 10 153.685 -5.315 6.645 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.878 -3.531 5.247 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.387 -4.409 3.812 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.171 -2.502 6.747 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.071 -4.418 3.063 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.962 -1.378 6.824 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.858 -3.298 3.144 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.305 -1.777 5.023 1.00 0.43 H new ATOM 1577 N VAL B 11 153.650 -7.079 3.849 1.00 0.37 N ATOM 1578 CA VAL B 11 152.825 -8.088 3.116 1.00 0.35 C ATOM 1579 C VAL B 11 153.011 -9.482 3.729 1.00 0.36 C ATOM 1580 O VAL B 11 152.559 -10.470 3.184 1.00 0.37 O ATOM 1581 CB VAL B 11 153.256 -8.114 1.648 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.216 -6.692 1.085 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.678 -8.663 1.544 1.00 0.40 C ATOM 0 H VAL B 11 154.551 -6.864 3.421 1.00 0.37 H new ATOM 0 HA VAL B 11 151.773 -7.812 3.193 1.00 0.35 H new ATOM 0 HB VAL B 11 152.579 -8.752 1.079 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.522 -6.706 0.039 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.202 -6.299 1.161 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.895 -6.056 1.653 1.00 0.44 H new ATOM 0 HG21 VAL B 11 154.985 -8.682 0.498 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.357 -8.025 2.110 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.708 -9.674 1.949 1.00 0.40 H new ATOM 1593 N ALA B 12 153.652 -9.568 4.868 1.00 0.41 N ATOM 1594 CA ALA B 12 153.850 -10.897 5.538 1.00 0.47 C ATOM 1595 C ALA B 12 152.897 -11.026 6.729 1.00 0.45 C ATOM 1596 O ALA B 12 152.695 -12.101 7.259 1.00 0.48 O ATOM 1597 CB ALA B 12 155.288 -11.014 6.036 1.00 0.53 C ATOM 0 H ALA B 12 154.050 -8.773 5.367 1.00 0.41 H new ATOM 0 HA ALA B 12 153.645 -11.689 4.818 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.427 -11.980 6.522 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.973 -10.930 5.192 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.492 -10.216 6.750 1.00 0.53 H new ATOM 1603 N GLU B 13 152.308 -9.940 7.155 1.00 0.42 N ATOM 1604 CA GLU B 13 151.365 -10.000 8.312 1.00 0.43 C ATOM 1605 C GLU B 13 150.368 -8.837 8.209 1.00 0.39 C ATOM 1606 O GLU B 13 150.686 -7.806 7.650 1.00 0.36 O ATOM 1607 CB GLU B 13 152.159 -9.886 9.618 1.00 0.46 C ATOM 1608 CG GLU B 13 153.172 -8.745 9.505 1.00 0.48 C ATOM 1609 CD GLU B 13 153.854 -8.533 10.858 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.798 -9.438 11.675 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.422 -7.472 11.053 1.00 1.04 O ATOM 0 H GLU B 13 152.439 -9.012 6.752 1.00 0.42 H new ATOM 0 HA GLU B 13 150.823 -10.946 8.301 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.482 -9.703 10.452 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.674 -10.824 9.825 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.916 -8.979 8.743 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.671 -7.829 9.191 1.00 0.48 H new ATOM 1618 N PRO B 14 149.178 -8.975 8.749 1.00 0.42 N ATOM 1619 CA PRO B 14 148.164 -7.885 8.707 1.00 0.40 C ATOM 1620 C PRO B 14 148.806 -6.511 8.940 1.00 0.36 C ATOM 1621 O PRO B 14 149.910 -6.413 9.437 1.00 0.36 O ATOM 1622 CB PRO B 14 147.213 -8.249 9.850 1.00 0.45 C ATOM 1623 CG PRO B 14 147.256 -9.744 9.922 1.00 0.49 C ATOM 1624 CD PRO B 14 148.660 -10.167 9.453 1.00 0.48 C ATOM 0 HA PRO B 14 147.666 -7.808 7.741 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.533 -7.798 10.789 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.202 -7.891 9.653 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.067 -10.088 10.939 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.487 -10.185 9.288 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.296 -10.441 10.295 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.616 -11.033 8.792 1.00 0.48 H new ATOM 1632 N MET B 15 148.130 -5.451 8.586 1.00 0.35 N ATOM 1633 CA MET B 15 148.711 -4.090 8.788 1.00 0.34 C ATOM 1634 C MET B 15 148.268 -3.534 10.144 1.00 0.35 C ATOM 1635 O MET B 15 148.894 -2.654 10.701 1.00 0.37 O ATOM 1636 CB MET B 15 148.227 -3.165 7.673 1.00 0.36 C ATOM 1637 CG MET B 15 146.721 -3.346 7.469 1.00 0.40 C ATOM 1638 SD MET B 15 146.063 -1.919 6.568 1.00 0.56 S ATOM 1639 CE MET B 15 146.457 -2.486 4.895 1.00 0.42 C ATOM 0 H MET B 15 147.201 -5.468 8.166 1.00 0.35 H new ATOM 0 HA MET B 15 149.799 -4.153 8.766 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.447 -2.128 7.927 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.758 -3.387 6.747 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.525 -4.263 6.913 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.221 -3.444 8.433 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.712 -1.629 4.271 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.304 -3.172 4.933 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.593 -2.999 4.472 1.00 0.42 H new ATOM 1649 N GLY B 16 147.196 -4.048 10.681 1.00 0.36 N ATOM 1650 CA GLY B 16 146.712 -3.561 12.004 1.00 0.39 C ATOM 1651 C GLY B 16 146.636 -2.031 12.005 1.00 0.38 C ATOM 1652 O GLY B 16 146.208 -1.421 11.046 1.00 0.37 O ATOM 0 H GLY B 16 146.633 -4.786 10.259 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.730 -3.982 12.218 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.383 -3.900 12.793 1.00 0.39 H new ATOM 1656 N GLU B 17 147.024 -1.413 13.093 1.00 0.40 N ATOM 1657 CA GLU B 17 146.954 0.081 13.199 1.00 0.41 C ATOM 1658 C GLU B 17 148.354 0.692 13.088 1.00 0.38 C ATOM 1659 O GLU B 17 148.634 1.721 13.671 1.00 0.39 O ATOM 1660 CB GLU B 17 146.358 0.457 14.558 1.00 0.46 C ATOM 1661 CG GLU B 17 144.895 0.015 14.619 1.00 0.50 C ATOM 1662 CD GLU B 17 144.306 0.395 15.979 1.00 0.55 C ATOM 1663 OE1 GLU B 17 145.068 0.797 16.842 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.102 0.272 16.137 1.00 0.84 O ATOM 0 H GLU B 17 147.390 -1.883 13.921 1.00 0.40 H new ATOM 0 HA GLU B 17 146.333 0.464 12.389 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.925 -0.018 15.359 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.429 1.534 14.712 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.327 0.489 13.819 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.822 -1.062 14.467 1.00 0.50 H new ATOM 1671 N LYS B 18 149.242 0.075 12.358 1.00 0.36 N ATOM 1672 CA LYS B 18 150.619 0.635 12.232 1.00 0.35 C ATOM 1673 C LYS B 18 150.527 2.040 11.620 1.00 0.31 C ATOM 1674 O LYS B 18 149.626 2.320 10.853 1.00 0.30 O ATOM 1675 CB LYS B 18 151.443 -0.271 11.306 1.00 0.35 C ATOM 1676 CG LYS B 18 151.549 -1.683 11.904 1.00 0.45 C ATOM 1677 CD LYS B 18 152.677 -1.735 12.942 1.00 1.16 C ATOM 1678 CE LYS B 18 152.858 -3.174 13.422 1.00 1.44 C ATOM 1679 NZ LYS B 18 154.007 -3.240 14.368 1.00 2.02 N ATOM 0 H LYS B 18 149.075 -0.790 11.844 1.00 0.36 H new ATOM 0 HA LYS B 18 151.095 0.689 13.211 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.976 -0.319 10.322 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.439 0.149 11.166 1.00 0.35 H new ATOM 0 HG2 LYS B 18 150.603 -1.961 12.370 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.740 -2.408 11.112 1.00 0.45 H new ATOM 0 HD2 LYS B 18 153.605 -1.366 12.506 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.441 -1.086 13.785 1.00 1.16 H new ATOM 0 HE2 LYS B 18 151.949 -3.522 13.912 1.00 1.44 H new ATOM 0 HE3 LYS B 18 153.034 -3.833 12.572 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 154.131 -4.219 14.695 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.872 -2.924 13.886 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.821 -2.623 15.184 1.00 2.02 H new ATOM 1693 N PRO B 19 151.434 2.930 11.959 1.00 0.31 N ATOM 1694 CA PRO B 19 151.411 4.324 11.425 1.00 0.29 C ATOM 1695 C PRO B 19 151.645 4.365 9.914 1.00 0.25 C ATOM 1696 O PRO B 19 152.173 3.440 9.327 1.00 0.23 O ATOM 1697 CB PRO B 19 152.543 5.037 12.191 1.00 0.32 C ATOM 1698 CG PRO B 19 153.460 3.942 12.637 1.00 0.32 C ATOM 1699 CD PRO B 19 152.574 2.716 12.873 1.00 0.34 C ATOM 0 HA PRO B 19 150.442 4.801 11.568 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.063 5.751 11.552 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.153 5.596 13.042 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.217 3.736 11.881 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.988 4.223 13.548 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.102 1.790 12.645 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.249 2.650 13.911 1.00 0.34 H new ATOM 1707 N VAL B 20 151.236 5.428 9.281 1.00 0.24 N ATOM 1708 CA VAL B 20 151.409 5.534 7.808 1.00 0.22 C ATOM 1709 C VAL B 20 152.886 5.386 7.428 1.00 0.21 C ATOM 1710 O VAL B 20 153.235 4.687 6.497 1.00 0.22 O ATOM 1711 CB VAL B 20 150.882 6.890 7.333 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.727 8.018 7.931 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.951 6.952 5.807 1.00 0.28 C ATOM 0 H VAL B 20 150.788 6.231 9.723 1.00 0.24 H new ATOM 0 HA VAL B 20 150.848 4.733 7.326 1.00 0.22 H new ATOM 0 HB VAL B 20 149.849 7.009 7.659 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.345 8.980 7.588 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.675 7.974 9.019 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.763 7.904 7.612 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.576 7.917 5.465 1.00 0.28 H new ATOM 0 HG22 VAL B 20 151.985 6.829 5.484 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.341 6.155 5.383 1.00 0.28 H new ATOM 1723 N GLY B 21 153.754 6.060 8.138 1.00 0.22 N ATOM 1724 CA GLY B 21 155.209 5.992 7.821 1.00 0.21 C ATOM 1725 C GLY B 21 155.698 4.542 7.830 1.00 0.19 C ATOM 1726 O GLY B 21 156.846 4.271 7.536 1.00 0.19 O ATOM 0 H GLY B 21 153.514 6.658 8.929 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.394 6.437 6.844 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.772 6.575 8.549 1.00 0.21 H new ATOM 1730 N SER B 22 154.853 3.601 8.156 1.00 0.20 N ATOM 1731 CA SER B 22 155.301 2.178 8.168 1.00 0.20 C ATOM 1732 C SER B 22 155.252 1.620 6.743 1.00 0.19 C ATOM 1733 O SER B 22 155.919 0.657 6.421 1.00 0.20 O ATOM 1734 CB SER B 22 154.375 1.359 9.068 1.00 0.23 C ATOM 1735 OG SER B 22 154.385 1.914 10.377 1.00 1.24 O ATOM 0 H SER B 22 153.878 3.754 8.413 1.00 0.20 H new ATOM 0 HA SER B 22 156.321 2.120 8.549 1.00 0.20 H new ATOM 0 HB2 SER B 22 153.362 1.362 8.666 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.703 0.320 9.098 1.00 0.23 H new ATOM 0 HG SER B 22 153.626 2.526 10.479 1.00 1.24 H new ATOM 1741 N LEU B 23 154.467 2.218 5.886 1.00 0.18 N ATOM 1742 CA LEU B 23 154.379 1.717 4.485 1.00 0.18 C ATOM 1743 C LEU B 23 155.734 1.875 3.793 1.00 0.18 C ATOM 1744 O LEU B 23 156.417 2.868 3.949 1.00 0.18 O ATOM 1745 CB LEU B 23 153.323 2.518 3.716 1.00 0.19 C ATOM 1746 CG LEU B 23 151.917 2.174 4.232 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.907 3.150 3.619 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.541 0.725 3.852 1.00 0.24 C ATOM 0 H LEU B 23 153.885 3.029 6.096 1.00 0.18 H new ATOM 0 HA LEU B 23 154.099 0.664 4.501 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.510 3.586 3.832 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.392 2.296 2.651 1.00 0.19 H new ATOM 0 HG LEU B 23 151.903 2.260 5.319 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.906 2.913 3.980 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.165 4.169 3.907 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.931 3.063 2.533 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.542 0.498 4.225 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.556 0.618 2.767 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.259 0.035 4.295 1.00 0.24 H new ATOM 1760 N ALA B 24 156.119 0.897 3.028 1.00 0.18 N ATOM 1761 CA ALA B 24 157.426 0.983 2.320 1.00 0.19 C ATOM 1762 C ALA B 24 157.382 2.113 1.285 1.00 0.19 C ATOM 1763 O ALA B 24 156.419 2.281 0.563 1.00 0.20 O ATOM 1764 CB ALA B 24 157.724 -0.347 1.621 1.00 0.21 C ATOM 0 H ALA B 24 155.588 0.042 2.861 1.00 0.18 H new ATOM 0 HA ALA B 24 158.213 1.192 3.045 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.681 -0.280 1.104 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.767 -1.146 2.362 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.936 -0.563 0.899 1.00 0.21 H new ATOM 1770 N GLY B 25 158.428 2.890 1.223 1.00 0.20 N ATOM 1771 CA GLY B 25 158.479 4.025 0.249 1.00 0.21 C ATOM 1772 C GLY B 25 158.059 5.315 0.955 1.00 0.20 C ATOM 1773 O GLY B 25 158.337 6.405 0.495 1.00 0.22 O ATOM 0 H GLY B 25 159.257 2.789 1.808 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.486 4.129 -0.154 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.817 3.826 -0.594 1.00 0.21 H new ATOM 1777 N ILE B 26 157.401 5.201 2.079 1.00 0.20 N ATOM 1778 CA ILE B 26 156.970 6.418 2.834 1.00 0.21 C ATOM 1779 C ILE B 26 157.972 6.648 3.959 1.00 0.23 C ATOM 1780 O ILE B 26 158.039 5.884 4.901 1.00 0.25 O ATOM 1781 CB ILE B 26 155.577 6.189 3.426 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.614 5.723 2.324 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.060 7.490 4.045 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.632 6.705 1.146 1.00 0.24 C ATOM 0 H ILE B 26 157.142 4.313 2.510 1.00 0.20 H new ATOM 0 HA ILE B 26 156.932 7.284 2.173 1.00 0.21 H new ATOM 0 HB ILE B 26 155.637 5.421 4.198 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.899 4.728 1.981 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.603 5.645 2.725 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.068 7.324 4.466 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.739 7.813 4.834 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.004 8.261 3.277 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.944 6.360 0.374 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.325 7.692 1.491 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.640 6.762 0.735 1.00 0.24 H new ATOM 1796 N GLY B 27 158.758 7.688 3.883 1.00 0.24 N ATOM 1797 CA GLY B 27 159.751 7.945 4.961 1.00 0.27 C ATOM 1798 C GLY B 27 159.135 8.854 6.021 1.00 0.28 C ATOM 1799 O GLY B 27 157.994 9.261 5.923 1.00 0.27 O ATOM 0 H GLY B 27 158.754 8.368 3.123 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.064 7.004 5.413 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.644 8.410 4.543 1.00 0.27 H new ATOM 1803 N GLU B 28 159.876 9.147 7.046 1.00 0.30 N ATOM 1804 CA GLU B 28 159.334 10.000 8.134 1.00 0.32 C ATOM 1805 C GLU B 28 158.845 11.339 7.568 1.00 0.32 C ATOM 1806 O GLU B 28 157.822 11.845 7.973 1.00 0.35 O ATOM 1807 CB GLU B 28 160.438 10.244 9.164 1.00 0.36 C ATOM 1808 CG GLU B 28 160.723 8.936 9.905 1.00 0.39 C ATOM 1809 CD GLU B 28 161.882 9.137 10.881 1.00 1.27 C ATOM 1810 OE1 GLU B 28 162.411 10.235 10.925 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.224 8.187 11.566 1.00 1.64 O ATOM 0 H GLU B 28 160.837 8.832 7.179 1.00 0.30 H new ATOM 0 HA GLU B 28 158.490 9.496 8.605 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.341 10.602 8.670 1.00 0.36 H new ATOM 0 HB3 GLU B 28 160.132 11.017 9.869 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.833 8.611 10.444 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.968 8.149 9.192 1.00 0.39 H new ATOM 1818 N VAL B 29 159.551 11.921 6.637 1.00 0.31 N ATOM 1819 CA VAL B 29 159.090 13.226 6.079 1.00 0.33 C ATOM 1820 C VAL B 29 157.799 13.020 5.286 1.00 0.33 C ATOM 1821 O VAL B 29 156.884 13.816 5.355 1.00 0.35 O ATOM 1822 CB VAL B 29 160.170 13.804 5.156 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.625 15.034 4.424 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.392 14.206 5.986 1.00 0.35 C ATOM 0 H VAL B 29 160.417 11.555 6.242 1.00 0.31 H new ATOM 0 HA VAL B 29 158.905 13.920 6.899 1.00 0.33 H new ATOM 0 HB VAL B 29 160.457 13.048 4.425 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.397 15.440 3.770 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.758 14.748 3.828 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.332 15.790 5.152 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.159 14.617 5.329 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.102 14.958 6.720 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.786 13.330 6.501 1.00 0.35 H new ATOM 1834 N LEU B 30 157.721 11.965 4.527 1.00 0.32 N ATOM 1835 CA LEU B 30 156.495 11.714 3.722 1.00 0.33 C ATOM 1836 C LEU B 30 155.323 11.395 4.651 1.00 0.32 C ATOM 1837 O LEU B 30 154.203 11.800 4.414 1.00 0.33 O ATOM 1838 CB LEU B 30 156.736 10.536 2.772 1.00 0.33 C ATOM 1839 CG LEU B 30 157.798 10.912 1.729 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.126 9.678 0.878 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.283 12.050 0.821 1.00 0.40 C ATOM 0 H LEU B 30 158.455 11.264 4.429 1.00 0.32 H new ATOM 0 HA LEU B 30 156.258 12.605 3.140 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.063 9.663 3.337 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.806 10.263 2.274 1.00 0.33 H new ATOM 0 HG LEU B 30 158.696 11.257 2.242 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.880 9.938 0.135 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.508 8.884 1.520 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.223 9.333 0.374 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.048 12.304 0.087 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.380 11.724 0.305 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.057 12.926 1.429 1.00 0.40 H new ATOM 1853 N GLY B 31 155.571 10.665 5.702 1.00 0.33 N ATOM 1854 CA GLY B 31 154.469 10.312 6.640 1.00 0.34 C ATOM 1855 C GLY B 31 153.847 11.584 7.224 1.00 0.35 C ATOM 1856 O GLY B 31 152.646 11.677 7.380 1.00 0.36 O ATOM 0 H GLY B 31 156.489 10.297 5.952 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.708 9.733 6.117 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.852 9.683 7.444 1.00 0.34 H new ATOM 1860 N LYS B 32 154.645 12.568 7.552 1.00 0.35 N ATOM 1861 CA LYS B 32 154.067 13.819 8.124 1.00 0.37 C ATOM 1862 C LYS B 32 153.205 14.517 7.063 1.00 0.37 C ATOM 1863 O LYS B 32 152.190 15.110 7.374 1.00 0.38 O ATOM 1864 CB LYS B 32 155.198 14.763 8.595 1.00 0.40 C ATOM 1865 CG LYS B 32 155.541 14.508 10.074 1.00 1.18 C ATOM 1866 CD LYS B 32 156.234 13.155 10.221 1.00 1.36 C ATOM 1867 CE LYS B 32 156.440 12.845 11.705 1.00 2.07 C ATOM 1868 NZ LYS B 32 157.439 13.793 12.274 1.00 2.75 N ATOM 0 H LYS B 32 155.660 12.560 7.450 1.00 0.35 H new ATOM 0 HA LYS B 32 153.446 13.566 8.983 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.085 14.611 7.980 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.891 15.800 8.462 1.00 0.40 H new ATOM 0 HG2 LYS B 32 156.189 15.301 10.448 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.632 14.528 10.676 1.00 1.18 H new ATOM 0 HD2 LYS B 32 155.633 12.374 9.756 1.00 1.36 H new ATOM 0 HD3 LYS B 32 157.194 13.168 9.705 1.00 1.36 H new ATOM 0 HE2 LYS B 32 155.495 12.931 12.241 1.00 2.07 H new ATOM 0 HE3 LYS B 32 156.785 11.818 11.829 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 157.758 13.446 13.201 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.254 13.865 11.632 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.003 14.731 12.386 1.00 2.75 H new ATOM 1882 N LYS B 33 153.598 14.473 5.818 1.00 0.35 N ATOM 1883 CA LYS B 33 152.789 15.157 4.768 1.00 0.36 C ATOM 1884 C LYS B 33 151.447 14.442 4.609 1.00 0.34 C ATOM 1885 O LYS B 33 150.398 15.045 4.710 1.00 0.36 O ATOM 1886 CB LYS B 33 153.545 15.116 3.442 1.00 0.36 C ATOM 1887 CG LYS B 33 154.765 16.032 3.525 1.00 0.39 C ATOM 1888 CD LYS B 33 155.522 15.991 2.198 1.00 0.64 C ATOM 1889 CE LYS B 33 156.733 16.919 2.274 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.527 16.802 1.018 1.00 1.56 N ATOM 0 H LYS B 33 154.437 13.998 5.485 1.00 0.35 H new ATOM 0 HA LYS B 33 152.615 16.193 5.060 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.857 14.095 3.220 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.893 15.434 2.629 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.453 17.053 3.747 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.417 15.714 4.338 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.844 14.972 1.982 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.866 16.297 1.383 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.407 17.949 2.416 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.351 16.659 3.133 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 158.016 17.701 0.831 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 158.229 16.041 1.121 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.891 16.582 0.225 1.00 1.56 H new ATOM 1904 N LEU B 34 151.466 13.158 4.383 1.00 0.32 N ATOM 1905 CA LEU B 34 150.182 12.418 4.248 1.00 0.31 C ATOM 1906 C LEU B 34 149.396 12.579 5.556 1.00 0.31 C ATOM 1907 O LEU B 34 148.195 12.753 5.563 1.00 0.32 O ATOM 1908 CB LEU B 34 150.457 10.934 3.964 1.00 0.28 C ATOM 1909 CG LEU B 34 151.143 10.771 2.599 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.531 9.300 2.412 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.189 11.201 1.463 1.00 0.33 C ATOM 0 H LEU B 34 152.309 12.593 4.287 1.00 0.32 H new ATOM 0 HA LEU B 34 149.601 12.817 3.417 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.089 10.518 4.748 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.522 10.375 3.978 1.00 0.28 H new ATOM 0 HG LEU B 34 152.032 11.401 2.565 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.019 9.172 1.446 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.215 9.000 3.206 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.636 8.680 2.451 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.689 11.080 0.502 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.293 10.581 1.486 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.911 12.246 1.598 1.00 0.33 H new ATOM 1923 N GLU B 35 150.083 12.525 6.664 1.00 0.31 N ATOM 1924 CA GLU B 35 149.390 12.681 7.978 1.00 0.34 C ATOM 1925 C GLU B 35 148.705 14.050 8.031 1.00 0.37 C ATOM 1926 O GLU B 35 147.561 14.170 8.420 1.00 0.39 O ATOM 1927 CB GLU B 35 150.414 12.581 9.111 1.00 0.35 C ATOM 1928 CG GLU B 35 149.710 12.737 10.462 1.00 0.92 C ATOM 1929 CD GLU B 35 150.717 12.513 11.591 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.858 12.202 11.288 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.331 12.654 12.739 1.00 1.35 O ATOM 0 H GLU B 35 151.091 12.380 6.718 1.00 0.31 H new ATOM 0 HA GLU B 35 148.644 11.894 8.092 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.926 11.620 9.067 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.174 13.353 8.995 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.272 13.732 10.543 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.892 12.021 10.543 1.00 0.92 H new ATOM 1938 N GLU B 36 149.401 15.082 7.637 1.00 0.39 N ATOM 1939 CA GLU B 36 148.801 16.448 7.655 1.00 0.44 C ATOM 1940 C GLU B 36 147.626 16.472 6.678 1.00 0.45 C ATOM 1941 O GLU B 36 146.760 17.323 6.736 1.00 0.49 O ATOM 1942 CB GLU B 36 149.857 17.471 7.220 1.00 0.46 C ATOM 1943 CG GLU B 36 149.326 18.894 7.427 1.00 1.11 C ATOM 1944 CD GLU B 36 149.157 19.169 8.923 1.00 1.38 C ATOM 1945 OE1 GLU B 36 149.852 18.538 9.703 1.00 1.99 O ATOM 1946 OE2 GLU B 36 148.342 20.010 9.262 1.00 1.85 O ATOM 0 H GLU B 36 150.363 15.038 7.302 1.00 0.39 H new ATOM 0 HA GLU B 36 148.455 16.698 8.658 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.772 17.328 7.795 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.113 17.318 6.171 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.015 19.617 6.990 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.371 19.014 6.915 1.00 1.11 H new ATOM 1953 N ARG B 37 147.609 15.543 5.768 1.00 0.42 N ATOM 1954 CA ARG B 37 146.512 15.498 4.759 1.00 0.45 C ATOM 1955 C ARG B 37 145.354 14.641 5.287 1.00 0.42 C ATOM 1956 O ARG B 37 144.366 14.444 4.608 1.00 0.43 O ATOM 1957 CB ARG B 37 147.051 14.888 3.458 1.00 0.45 C ATOM 1958 CG ARG B 37 148.071 15.833 2.801 1.00 0.52 C ATOM 1959 CD ARG B 37 147.360 16.950 2.025 1.00 0.86 C ATOM 1960 NE ARG B 37 148.364 17.695 1.215 1.00 1.42 N ATOM 1961 CZ ARG B 37 147.976 18.467 0.237 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.707 18.578 -0.045 1.00 2.15 N ATOM 1963 NH2 ARG B 37 148.860 19.126 -0.463 1.00 2.68 N ATOM 0 H ARG B 37 148.310 14.808 5.677 1.00 0.42 H new ATOM 0 HA ARG B 37 146.149 16.508 4.570 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.520 13.926 3.667 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.227 14.698 2.770 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.715 16.268 3.565 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.714 15.268 2.126 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.592 16.528 1.377 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.857 17.627 2.716 1.00 0.86 H new ATOM 0 HE ARG B 37 149.358 17.601 1.425 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.016 18.061 0.499 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.405 19.182 -0.810 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.852 19.037 -0.245 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.558 19.730 -1.228 1.00 2.68 H new ATOM 1977 N GLY B 38 145.445 14.160 6.507 1.00 0.41 N ATOM 1978 CA GLY B 38 144.321 13.352 7.089 1.00 0.39 C ATOM 1979 C GLY B 38 144.622 11.851 7.033 1.00 0.37 C ATOM 1980 O GLY B 38 143.774 11.039 7.348 1.00 0.49 O ATOM 0 H GLY B 38 146.247 14.291 7.124 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.153 13.652 8.123 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.401 13.560 6.543 1.00 0.39 H new ATOM 1984 N PHE B 39 145.811 11.467 6.649 1.00 0.31 N ATOM 1985 CA PHE B 39 146.159 10.011 6.586 1.00 0.28 C ATOM 1986 C PHE B 39 147.086 9.670 7.755 1.00 0.28 C ATOM 1987 O PHE B 39 148.281 9.516 7.590 1.00 0.28 O ATOM 1988 CB PHE B 39 146.893 9.746 5.279 1.00 0.27 C ATOM 1989 CG PHE B 39 145.944 9.903 4.119 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.765 11.161 3.540 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.249 8.797 3.623 1.00 0.27 C ATOM 1992 CE1 PHE B 39 144.887 11.319 2.463 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.369 8.951 2.544 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.187 10.214 1.964 1.00 0.32 C ATOM 0 H PHE B 39 146.562 12.100 6.374 1.00 0.31 H new ATOM 0 HA PHE B 39 145.255 9.404 6.642 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.728 10.438 5.174 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.312 8.740 5.284 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.305 12.013 3.925 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.390 7.824 4.071 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.749 12.293 2.017 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.831 8.097 2.159 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.508 10.335 1.133 1.00 0.32 H new ATOM 2004 N ASP B 40 146.549 9.584 8.939 1.00 0.30 N ATOM 2005 CA ASP B 40 147.406 9.290 10.124 1.00 0.31 C ATOM 2006 C ASP B 40 147.710 7.795 10.223 1.00 0.29 C ATOM 2007 O ASP B 40 148.516 7.380 11.031 1.00 0.30 O ATOM 2008 CB ASP B 40 146.683 9.739 11.395 1.00 0.35 C ATOM 2009 CG ASP B 40 145.429 8.886 11.597 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.971 8.302 10.628 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.952 8.825 12.718 1.00 0.41 O ATOM 0 H ASP B 40 145.556 9.704 9.139 1.00 0.30 H new ATOM 0 HA ASP B 40 148.346 9.830 10.012 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.344 9.642 12.256 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.411 10.792 11.319 1.00 0.35 H new ATOM 2016 N LYS B 41 147.067 6.976 9.426 1.00 0.28 N ATOM 2017 CA LYS B 41 147.317 5.499 9.499 1.00 0.28 C ATOM 2018 C LYS B 41 147.543 4.940 8.091 1.00 0.23 C ATOM 2019 O LYS B 41 147.072 5.478 7.109 1.00 0.23 O ATOM 2020 CB LYS B 41 146.100 4.824 10.142 1.00 0.33 C ATOM 2021 CG LYS B 41 145.990 5.233 11.624 1.00 0.47 C ATOM 2022 CD LYS B 41 146.962 4.415 12.486 1.00 0.74 C ATOM 2023 CE LYS B 41 146.655 4.662 13.964 1.00 0.71 C ATOM 2024 NZ LYS B 41 145.415 3.929 14.343 1.00 1.56 N ATOM 0 H LYS B 41 146.381 7.264 8.729 1.00 0.28 H new ATOM 0 HA LYS B 41 148.206 5.303 10.099 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.193 5.109 9.610 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.190 3.741 10.061 1.00 0.33 H new ATOM 0 HG2 LYS B 41 146.208 6.296 11.730 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.969 5.080 11.974 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.867 3.354 12.255 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.991 4.699 12.264 1.00 0.74 H new ATOM 0 HE2 LYS B 41 147.490 4.329 14.580 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.530 5.729 14.147 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 145.486 3.615 15.332 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 144.594 4.558 14.237 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.299 3.101 13.725 1.00 1.56 H new ATOM 2038 N ALA B 42 148.281 3.866 7.995 1.00 0.21 N ATOM 2039 CA ALA B 42 148.574 3.261 6.660 1.00 0.20 C ATOM 2040 C ALA B 42 147.293 2.745 5.995 1.00 0.18 C ATOM 2041 O ALA B 42 147.114 2.876 4.802 1.00 0.18 O ATOM 2042 CB ALA B 42 149.541 2.090 6.840 1.00 0.21 C ATOM 0 H ALA B 42 148.697 3.378 8.788 1.00 0.21 H new ATOM 0 HA ALA B 42 149.014 4.029 6.024 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.758 1.645 5.869 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.467 2.448 7.290 1.00 0.21 H new ATOM 0 HB3 ALA B 42 149.088 1.341 7.489 1.00 0.21 H new ATOM 2048 N TYR B 43 146.419 2.128 6.740 1.00 0.18 N ATOM 2049 CA TYR B 43 145.182 1.571 6.124 1.00 0.18 C ATOM 2050 C TYR B 43 144.380 2.681 5.432 1.00 0.17 C ATOM 2051 O TYR B 43 143.552 2.417 4.584 1.00 0.17 O ATOM 2052 CB TYR B 43 144.324 0.877 7.193 1.00 0.20 C ATOM 2053 CG TYR B 43 143.593 1.890 8.045 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.443 2.517 7.548 1.00 0.21 C ATOM 2055 CD2 TYR B 43 144.051 2.192 9.333 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.756 3.444 8.334 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.360 3.121 10.119 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.213 3.747 9.621 1.00 0.27 C ATOM 2059 OH TYR B 43 141.532 4.662 10.397 1.00 0.32 O ATOM 0 H TYR B 43 146.507 1.985 7.746 1.00 0.18 H new ATOM 0 HA TYR B 43 145.468 0.835 5.373 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.604 0.214 6.712 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.958 0.255 7.825 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.087 2.283 6.555 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.936 1.709 9.719 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.871 3.928 7.948 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.713 3.355 11.112 1.00 0.28 H new ATOM 0 HH TYR B 43 141.981 4.755 11.263 1.00 0.32 H new ATOM 2069 N VAL B 44 144.625 3.917 5.771 1.00 0.18 N ATOM 2070 CA VAL B 44 143.877 5.026 5.105 1.00 0.18 C ATOM 2071 C VAL B 44 144.535 5.305 3.747 1.00 0.17 C ATOM 2072 O VAL B 44 143.899 5.706 2.790 1.00 0.17 O ATOM 2073 CB VAL B 44 143.917 6.285 5.985 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.013 7.372 5.383 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.417 5.942 7.396 1.00 0.24 C ATOM 0 H VAL B 44 145.304 4.208 6.474 1.00 0.18 H new ATOM 0 HA VAL B 44 142.834 4.743 4.959 1.00 0.18 H new ATOM 0 HB VAL B 44 144.943 6.651 6.035 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.046 8.262 6.012 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.362 7.622 4.381 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.988 7.004 5.328 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.446 6.836 8.019 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.393 5.572 7.339 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.057 5.175 7.832 1.00 0.24 H new ATOM 2085 N VAL B 45 145.820 5.074 3.675 1.00 0.17 N ATOM 2086 CA VAL B 45 146.561 5.300 2.402 1.00 0.17 C ATOM 2087 C VAL B 45 146.232 4.149 1.448 1.00 0.15 C ATOM 2088 O VAL B 45 146.031 4.349 0.267 1.00 0.15 O ATOM 2089 CB VAL B 45 148.069 5.351 2.673 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.831 5.343 1.346 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.408 6.635 3.439 1.00 0.20 C ATOM 0 H VAL B 45 146.390 4.736 4.450 1.00 0.17 H new ATOM 0 HA VAL B 45 146.265 6.250 1.957 1.00 0.17 H new ATOM 0 HB VAL B 45 148.357 4.482 3.265 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.903 5.379 1.542 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.593 4.433 0.795 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.541 6.211 0.754 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.480 6.671 3.632 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.117 7.501 2.845 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.869 6.647 4.386 1.00 0.20 H new ATOM 2101 N LEU B 46 146.134 2.951 1.958 1.00 0.17 N ATOM 2102 CA LEU B 46 145.771 1.799 1.083 1.00 0.17 C ATOM 2103 C LEU B 46 144.398 2.090 0.481 1.00 0.17 C ATOM 2104 O LEU B 46 144.137 1.813 -0.673 1.00 0.17 O ATOM 2105 CB LEU B 46 145.719 0.510 1.925 1.00 0.22 C ATOM 2106 CG LEU B 46 145.147 -0.661 1.104 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.019 -0.927 -0.127 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.106 -1.915 1.977 1.00 0.35 C ATOM 0 H LEU B 46 146.289 2.720 2.939 1.00 0.17 H new ATOM 0 HA LEU B 46 146.509 1.664 0.292 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.720 0.259 2.275 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.104 0.674 2.810 1.00 0.22 H new ATOM 0 HG LEU B 46 144.141 -0.404 0.773 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.601 -1.757 -0.696 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.046 -0.035 -0.753 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.031 -1.178 0.191 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.702 -2.747 1.400 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.115 -2.160 2.309 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.472 -1.733 2.845 1.00 0.35 H new ATOM 2120 N GLY B 47 143.522 2.653 1.267 1.00 0.17 N ATOM 2121 CA GLY B 47 142.157 2.975 0.769 1.00 0.18 C ATOM 2122 C GLY B 47 142.261 3.824 -0.498 1.00 0.17 C ATOM 2123 O GLY B 47 141.581 3.579 -1.474 1.00 0.18 O ATOM 0 H GLY B 47 143.696 2.905 2.240 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.609 2.056 0.559 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.597 3.513 1.534 1.00 0.18 H new ATOM 2127 N GLN B 48 143.111 4.815 -0.499 1.00 0.17 N ATOM 2128 CA GLN B 48 143.255 5.667 -1.715 1.00 0.18 C ATOM 2129 C GLN B 48 143.695 4.789 -2.894 1.00 0.17 C ATOM 2130 O GLN B 48 143.184 4.904 -3.987 1.00 0.18 O ATOM 2131 CB GLN B 48 144.305 6.751 -1.453 1.00 0.18 C ATOM 2132 CG GLN B 48 144.328 7.747 -2.616 1.00 0.22 C ATOM 2133 CD GLN B 48 143.084 8.634 -2.554 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.116 8.392 -3.247 1.00 0.97 O ATOM 2135 NE2 GLN B 48 143.067 9.658 -1.745 1.00 1.09 N ATOM 0 H GLN B 48 143.710 5.071 0.286 1.00 0.17 H new ATOM 0 HA GLN B 48 142.302 6.141 -1.952 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.079 7.271 -0.522 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.288 6.296 -1.333 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.228 8.360 -2.565 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.359 7.213 -3.566 1.00 0.22 H new ATOM 0 HE21 GLN B 48 143.879 9.862 -1.163 1.00 1.09 H new ATOM 0 HE22 GLN B 48 142.241 10.255 -1.695 1.00 1.09 H new ATOM 2144 N PHE B 49 144.624 3.901 -2.670 1.00 0.17 N ATOM 2145 CA PHE B 49 145.092 3.001 -3.765 1.00 0.17 C ATOM 2146 C PHE B 49 143.898 2.183 -4.263 1.00 0.18 C ATOM 2147 O PHE B 49 143.727 1.957 -5.445 1.00 0.19 O ATOM 2148 CB PHE B 49 146.172 2.074 -3.203 1.00 0.18 C ATOM 2149 CG PHE B 49 146.685 1.135 -4.273 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.387 1.644 -5.371 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.480 -0.248 -4.154 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.881 0.773 -6.351 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.973 -1.116 -5.135 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.673 -0.606 -6.233 1.00 0.27 C ATOM 0 H PHE B 49 145.083 3.758 -1.770 1.00 0.17 H new ATOM 0 HA PHE B 49 145.506 3.575 -4.594 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.997 2.667 -2.808 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.766 1.498 -2.371 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.548 2.708 -5.463 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.942 -0.643 -3.305 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.423 1.166 -7.198 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.813 -2.180 -5.044 1.00 0.31 H new ATOM 0 HZ PHE B 49 148.053 -1.276 -6.990 1.00 0.27 H new ATOM 2164 N LEU B 50 143.074 1.749 -3.361 1.00 0.18 N ATOM 2165 CA LEU B 50 141.883 0.952 -3.768 1.00 0.20 C ATOM 2166 C LEU B 50 140.925 1.869 -4.538 1.00 0.21 C ATOM 2167 O LEU B 50 140.302 1.468 -5.501 1.00 0.23 O ATOM 2168 CB LEU B 50 141.195 0.391 -2.515 1.00 0.22 C ATOM 2169 CG LEU B 50 142.144 -0.585 -1.793 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.530 -1.007 -0.445 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.388 -1.834 -2.663 1.00 0.27 C ATOM 0 H LEU B 50 143.169 1.909 -2.358 1.00 0.18 H new ATOM 0 HA LEU B 50 142.180 0.119 -4.405 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.917 1.205 -1.846 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.274 -0.121 -2.793 1.00 0.22 H new ATOM 0 HG LEU B 50 143.096 -0.084 -1.618 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.204 -1.697 0.062 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.378 -0.125 0.177 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.572 -1.498 -0.619 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.060 -2.515 -2.141 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.439 -2.336 -2.854 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.837 -1.536 -3.610 1.00 0.27 H new ATOM 2183 N VAL B 51 140.797 3.092 -4.109 1.00 0.21 N ATOM 2184 CA VAL B 51 139.873 4.048 -4.792 1.00 0.23 C ATOM 2185 C VAL B 51 140.367 4.361 -6.218 1.00 0.23 C ATOM 2186 O VAL B 51 139.606 4.787 -7.064 1.00 0.25 O ATOM 2187 CB VAL B 51 139.800 5.342 -3.966 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.110 6.448 -4.773 1.00 0.28 C ATOM 2189 CG2 VAL B 51 139.002 5.077 -2.687 1.00 0.27 C ATOM 0 H VAL B 51 141.296 3.477 -3.307 1.00 0.21 H new ATOM 0 HA VAL B 51 138.883 3.598 -4.869 1.00 0.23 H new ATOM 0 HB VAL B 51 140.811 5.663 -3.716 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.065 7.359 -4.177 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.675 6.639 -5.685 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.099 6.133 -5.032 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.947 5.992 -2.097 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.995 4.752 -2.947 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.495 4.299 -2.105 1.00 0.27 H new ATOM 2199 N LEU B 52 141.631 4.168 -6.486 1.00 0.22 N ATOM 2200 CA LEU B 52 142.169 4.473 -7.856 1.00 0.23 C ATOM 2201 C LEU B 52 142.142 3.215 -8.732 1.00 0.23 C ATOM 2202 O LEU B 52 142.797 3.154 -9.753 1.00 0.24 O ATOM 2203 CB LEU B 52 143.607 4.981 -7.745 1.00 0.24 C ATOM 2204 CG LEU B 52 143.645 6.289 -6.941 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.100 6.734 -6.787 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.840 7.387 -7.666 1.00 0.27 C ATOM 0 H LEU B 52 142.318 3.813 -5.821 1.00 0.22 H new ATOM 0 HA LEU B 52 141.543 5.239 -8.313 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.230 4.229 -7.260 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.021 5.145 -8.740 1.00 0.24 H new ATOM 0 HG LEU B 52 143.200 6.123 -5.960 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.138 7.662 -6.217 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.663 5.962 -6.262 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.538 6.895 -7.772 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.876 8.308 -7.085 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.271 7.563 -8.652 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.804 7.067 -7.775 1.00 0.27 H new ATOM 2218 N LYS B 53 141.395 2.218 -8.357 1.00 0.23 N ATOM 2219 CA LYS B 53 141.336 0.978 -9.184 1.00 0.24 C ATOM 2220 C LYS B 53 142.750 0.480 -9.495 1.00 0.24 C ATOM 2221 O LYS B 53 143.001 -0.055 -10.555 1.00 0.30 O ATOM 2222 CB LYS B 53 140.610 1.266 -10.499 1.00 0.29 C ATOM 2223 CG LYS B 53 139.135 1.567 -10.227 1.00 0.39 C ATOM 2224 CD LYS B 53 138.431 1.852 -11.554 1.00 0.48 C ATOM 2225 CE LYS B 53 136.953 2.158 -11.304 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.259 2.334 -12.611 1.00 1.71 N ATOM 0 H LYS B 53 140.821 2.205 -7.514 1.00 0.23 H new ATOM 0 HA LYS B 53 140.798 0.213 -8.624 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.076 2.113 -11.003 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.698 0.410 -11.168 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.665 0.721 -9.726 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.043 2.424 -9.560 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.907 2.696 -12.054 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.526 0.993 -12.218 1.00 0.48 H new ATOM 0 HE2 LYS B 53 136.492 1.347 -10.741 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.853 3.061 -10.702 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 135.254 2.542 -12.445 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.694 3.122 -13.132 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.344 1.461 -13.170 1.00 1.71 H new ATOM 2240 N LYS B 54 143.675 0.653 -8.580 1.00 0.23 N ATOM 2241 CA LYS B 54 145.081 0.191 -8.796 1.00 0.26 C ATOM 2242 C LYS B 54 145.669 0.879 -10.028 1.00 0.28 C ATOM 2243 O LYS B 54 146.648 0.422 -10.586 1.00 0.34 O ATOM 2244 CB LYS B 54 145.119 -1.330 -8.991 1.00 0.36 C ATOM 2245 CG LYS B 54 144.553 -2.016 -7.747 1.00 0.67 C ATOM 2246 CD LYS B 54 144.588 -3.532 -7.938 1.00 0.83 C ATOM 2247 CE LYS B 54 144.000 -4.209 -6.700 1.00 1.41 C ATOM 2248 NZ LYS B 54 142.589 -3.762 -6.523 1.00 2.25 N ATOM 0 H LYS B 54 143.511 1.102 -7.679 1.00 0.23 H new ATOM 0 HA LYS B 54 145.672 0.450 -7.918 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.538 -1.610 -9.870 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.143 -1.660 -9.167 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.135 -1.736 -6.869 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.530 -1.685 -7.570 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.019 -3.812 -8.825 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.613 -3.867 -8.098 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.040 -5.293 -6.809 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.588 -3.956 -5.818 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.069 -4.467 -5.962 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 142.574 -2.847 -6.029 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 142.138 -3.660 -7.454 1.00 2.25 H new ATOM 2262 N ASP B 55 145.112 1.979 -10.453 1.00 0.30 N ATOM 2263 CA ASP B 55 145.694 2.673 -11.634 1.00 0.39 C ATOM 2264 C ASP B 55 147.084 3.178 -11.235 1.00 0.38 C ATOM 2265 O ASP B 55 147.226 4.005 -10.356 1.00 0.37 O ATOM 2266 CB ASP B 55 144.798 3.847 -12.026 1.00 0.47 C ATOM 2267 CG ASP B 55 143.563 3.326 -12.765 1.00 1.18 C ATOM 2268 OD1 ASP B 55 143.716 2.419 -13.568 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.486 3.839 -12.512 1.00 1.54 O ATOM 0 H ASP B 55 144.291 2.422 -10.040 1.00 0.30 H new ATOM 0 HA ASP B 55 145.769 1.998 -12.486 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.496 4.400 -11.136 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.348 4.541 -12.661 1.00 0.47 H new ATOM 2274 N GLU B 56 148.110 2.654 -11.846 1.00 0.39 N ATOM 2275 CA GLU B 56 149.501 3.057 -11.482 1.00 0.38 C ATOM 2276 C GLU B 56 149.777 4.540 -11.772 1.00 0.38 C ATOM 2277 O GLU B 56 150.412 5.216 -10.994 1.00 0.38 O ATOM 2278 CB GLU B 56 150.485 2.188 -12.275 1.00 0.40 C ATOM 2279 CG GLU B 56 151.925 2.571 -11.922 1.00 0.41 C ATOM 2280 CD GLU B 56 152.893 1.622 -12.633 1.00 0.63 C ATOM 2281 OE1 GLU B 56 153.225 0.602 -12.052 1.00 0.88 O ATOM 2282 OE2 GLU B 56 153.286 1.933 -13.745 1.00 0.85 O ATOM 0 H GLU B 56 148.046 1.958 -12.589 1.00 0.39 H new ATOM 0 HA GLU B 56 149.626 2.911 -10.409 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.315 1.135 -12.051 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.317 2.318 -13.344 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.123 3.600 -12.221 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.073 2.518 -10.843 1.00 0.41 H new ATOM 2289 N ASP B 57 149.322 5.053 -12.879 1.00 0.40 N ATOM 2290 CA ASP B 57 149.591 6.491 -13.200 1.00 0.42 C ATOM 2291 C ASP B 57 148.801 7.411 -12.268 1.00 0.41 C ATOM 2292 O ASP B 57 149.295 8.431 -11.828 1.00 0.41 O ATOM 2293 CB ASP B 57 149.203 6.771 -14.651 1.00 0.45 C ATOM 2294 CG ASP B 57 150.191 6.071 -15.586 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.223 6.657 -15.870 1.00 0.74 O ATOM 2296 OD2 ASP B 57 149.897 4.965 -16.007 1.00 0.65 O ATOM 0 H ASP B 57 148.777 4.546 -13.576 1.00 0.40 H new ATOM 0 HA ASP B 57 150.654 6.687 -13.059 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.190 6.417 -14.843 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.206 7.845 -14.839 1.00 0.45 H new ATOM 2301 N LEU B 58 147.589 7.073 -11.966 1.00 0.40 N ATOM 2302 CA LEU B 58 146.800 7.958 -11.063 1.00 0.40 C ATOM 2303 C LEU B 58 147.382 7.900 -9.651 1.00 0.38 C ATOM 2304 O LEU B 58 147.492 8.906 -8.978 1.00 0.38 O ATOM 2305 CB LEU B 58 145.334 7.517 -11.025 1.00 0.41 C ATOM 2306 CG LEU B 58 144.705 7.630 -12.422 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.251 7.152 -12.353 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.745 9.093 -12.908 1.00 0.55 C ATOM 0 H LEU B 58 147.109 6.236 -12.296 1.00 0.40 H new ATOM 0 HA LEU B 58 146.852 8.978 -11.443 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.266 6.488 -10.671 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.780 8.135 -10.318 1.00 0.41 H new ATOM 0 HG LEU B 58 145.268 7.013 -13.122 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.796 7.228 -13.340 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.225 6.114 -12.021 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.697 7.773 -11.649 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.296 9.160 -13.899 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.187 9.722 -12.214 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.780 9.433 -12.955 1.00 0.55 H new ATOM 2320 N PHE B 59 147.783 6.743 -9.203 1.00 0.37 N ATOM 2321 CA PHE B 59 148.384 6.652 -7.844 1.00 0.35 C ATOM 2322 C PHE B 59 149.682 7.460 -7.807 1.00 0.36 C ATOM 2323 O PHE B 59 149.910 8.249 -6.912 1.00 0.35 O ATOM 2324 CB PHE B 59 148.672 5.191 -7.488 1.00 0.35 C ATOM 2325 CG PHE B 59 149.398 5.141 -6.163 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.675 5.051 -4.968 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.797 5.188 -6.134 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.352 5.012 -3.743 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.473 5.147 -4.909 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.751 5.060 -3.714 1.00 0.37 C ATOM 0 H PHE B 59 147.721 5.863 -9.715 1.00 0.37 H new ATOM 0 HA PHE B 59 147.681 7.057 -7.116 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.741 4.627 -7.429 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.277 4.726 -8.266 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.596 5.012 -4.991 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.354 5.256 -7.057 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.795 4.945 -2.820 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.552 5.183 -4.886 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.273 5.030 -2.769 1.00 0.37 H new ATOM 2340 N ARG B 60 150.550 7.244 -8.762 1.00 0.38 N ATOM 2341 CA ARG B 60 151.846 7.975 -8.768 1.00 0.39 C ATOM 2342 C ARG B 60 151.611 9.482 -8.839 1.00 0.40 C ATOM 2343 O ARG B 60 152.208 10.243 -8.105 1.00 0.39 O ATOM 2344 CB ARG B 60 152.673 7.550 -9.984 1.00 0.43 C ATOM 2345 CG ARG B 60 153.157 6.110 -9.811 1.00 0.44 C ATOM 2346 CD ARG B 60 153.984 5.709 -11.036 1.00 0.51 C ATOM 2347 NE ARG B 60 154.185 4.222 -11.060 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.715 3.582 -10.053 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.253 4.236 -9.060 1.00 1.15 N ATOM 2350 NH2 ARG B 60 154.758 2.278 -10.068 1.00 2.64 N ATOM 0 H ARG B 60 150.415 6.593 -9.536 1.00 0.38 H new ATOM 0 HA ARG B 60 152.379 7.735 -7.848 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.072 7.634 -10.890 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.527 8.217 -10.105 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.758 6.021 -8.906 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.306 5.439 -9.695 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.478 6.030 -11.947 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.950 6.214 -11.013 1.00 0.51 H new ATOM 0 HE ARG B 60 153.900 3.697 -11.886 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.262 5.256 -9.066 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.665 3.727 -8.278 1.00 1.15 H new ATOM 0 HH21 ARG B 60 154.379 1.764 -10.863 1.00 2.64 H new ATOM 0 HH22 ARG B 60 155.171 1.772 -9.284 1.00 2.64 H new ATOM 2364 N GLU B 61 150.752 9.927 -9.714 1.00 0.42 N ATOM 2365 CA GLU B 61 150.495 11.386 -9.819 1.00 0.44 C ATOM 2366 C GLU B 61 149.847 11.871 -8.521 1.00 0.42 C ATOM 2367 O GLU B 61 150.139 12.944 -8.034 1.00 0.43 O ATOM 2368 CB GLU B 61 149.556 11.652 -10.997 1.00 0.48 C ATOM 2369 CG GLU B 61 150.298 11.386 -12.308 1.00 1.30 C ATOM 2370 CD GLU B 61 149.328 11.534 -13.481 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.171 11.834 -13.234 1.00 2.33 O ATOM 2372 OE2 GLU B 61 149.757 11.340 -14.607 1.00 2.38 O ATOM 0 H GLU B 61 150.219 9.343 -10.358 1.00 0.42 H new ATOM 0 HA GLU B 61 151.432 11.919 -9.981 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.677 11.011 -10.927 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.202 12.683 -10.969 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.127 12.085 -12.417 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.725 10.383 -12.300 1.00 1.30 H new ATOM 2379 N TRP B 62 148.972 11.088 -7.956 1.00 0.40 N ATOM 2380 CA TRP B 62 148.310 11.505 -6.686 1.00 0.39 C ATOM 2381 C TRP B 62 149.338 11.621 -5.558 1.00 0.36 C ATOM 2382 O TRP B 62 149.355 12.581 -4.817 1.00 0.36 O ATOM 2383 CB TRP B 62 147.250 10.458 -6.299 1.00 0.38 C ATOM 2384 CG TRP B 62 146.784 10.699 -4.892 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.813 11.567 -4.524 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.273 10.086 -3.661 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.673 11.522 -3.146 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.551 10.624 -2.570 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.264 9.122 -3.390 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.803 10.220 -1.256 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.516 8.714 -2.070 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.787 9.262 -1.006 1.00 0.32 C ATOM 0 H TRP B 62 148.686 10.178 -8.317 1.00 0.40 H new ATOM 0 HA TRP B 62 147.841 12.477 -6.837 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.405 10.512 -6.986 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.668 9.455 -6.386 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.241 12.192 -5.194 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.003 12.084 -2.621 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.833 8.694 -4.202 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.240 10.646 -0.439 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.277 7.973 -1.874 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.986 8.943 0.007 1.00 0.32 H new ATOM 2403 N LEU B 63 150.183 10.646 -5.416 1.00 0.34 N ATOM 2404 CA LEU B 63 151.197 10.688 -4.328 1.00 0.32 C ATOM 2405 C LEU B 63 152.210 11.806 -4.593 1.00 0.33 C ATOM 2406 O LEU B 63 152.533 12.583 -3.717 1.00 0.32 O ATOM 2407 CB LEU B 63 151.907 9.329 -4.276 1.00 0.31 C ATOM 2408 CG LEU B 63 152.972 9.304 -3.171 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.322 9.475 -1.792 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.706 7.960 -3.227 1.00 0.32 C ATOM 0 H LEU B 63 150.217 9.816 -6.008 1.00 0.34 H new ATOM 0 HA LEU B 63 150.711 10.890 -3.373 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.176 8.540 -4.099 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.373 9.122 -5.239 1.00 0.31 H new ATOM 0 HG LEU B 63 153.672 10.125 -3.327 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.093 9.455 -1.021 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.796 10.429 -1.754 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.615 8.663 -1.620 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.466 7.928 -2.447 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.994 7.150 -3.073 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.181 7.845 -4.201 1.00 0.32 H new ATOM 2422 N LYS B 64 152.714 11.892 -5.791 1.00 0.35 N ATOM 2423 CA LYS B 64 153.706 12.956 -6.113 1.00 0.37 C ATOM 2424 C LYS B 64 153.069 14.339 -5.948 1.00 0.38 C ATOM 2425 O LYS B 64 153.634 15.226 -5.340 1.00 0.38 O ATOM 2426 CB LYS B 64 154.204 12.776 -7.548 1.00 0.41 C ATOM 2427 CG LYS B 64 155.273 13.827 -7.861 1.00 0.43 C ATOM 2428 CD LYS B 64 155.783 13.615 -9.284 1.00 0.68 C ATOM 2429 CE LYS B 64 156.840 14.671 -9.618 1.00 1.24 C ATOM 2430 NZ LYS B 64 158.070 14.416 -8.816 1.00 2.10 N ATOM 0 H LYS B 64 152.481 11.269 -6.565 1.00 0.35 H new ATOM 0 HA LYS B 64 154.550 12.877 -5.428 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.616 11.775 -7.677 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.372 12.871 -8.246 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.857 14.829 -7.756 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.096 13.748 -7.151 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.209 12.617 -9.383 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.955 13.679 -9.990 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.075 14.642 -10.682 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.454 15.668 -9.404 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.867 14.945 -9.224 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.915 14.725 -7.835 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 158.288 13.399 -8.828 1.00 2.10 H new ATOM 2444 N ASP B 65 151.897 14.526 -6.492 1.00 0.41 N ATOM 2445 CA ASP B 65 151.220 15.849 -6.374 1.00 0.44 C ATOM 2446 C ASP B 65 150.784 16.078 -4.929 1.00 0.43 C ATOM 2447 O ASP B 65 150.663 17.199 -4.475 1.00 0.45 O ATOM 2448 CB ASP B 65 149.985 15.882 -7.279 1.00 0.48 C ATOM 2449 CG ASP B 65 150.421 15.970 -8.742 1.00 1.17 C ATOM 2450 OD1 ASP B 65 151.390 16.658 -9.011 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.776 15.346 -9.570 1.00 1.41 O ATOM 0 H ASP B 65 151.379 13.819 -7.013 1.00 0.41 H new ATOM 0 HA ASP B 65 151.917 16.631 -6.676 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.383 14.987 -7.122 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.358 16.736 -7.024 1.00 0.48 H new ATOM 2456 N THR B 66 150.511 15.023 -4.211 1.00 0.39 N ATOM 2457 CA THR B 66 150.041 15.173 -2.807 1.00 0.39 C ATOM 2458 C THR B 66 151.211 15.428 -1.853 1.00 0.38 C ATOM 2459 O THR B 66 151.047 16.119 -0.867 1.00 0.40 O ATOM 2460 CB THR B 66 149.298 13.904 -2.385 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.137 13.751 -3.191 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.885 14.014 -0.918 1.00 0.38 C ATOM 0 H THR B 66 150.594 14.061 -4.539 1.00 0.39 H new ATOM 0 HA THR B 66 149.372 16.032 -2.757 1.00 0.39 H new ATOM 0 HB THR B 66 149.952 13.041 -2.512 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.400 13.480 -4.095 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.356 13.109 -0.620 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.773 14.136 -0.298 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.231 14.876 -0.788 1.00 0.38 H new ATOM 2470 N CYS B 67 152.379 14.862 -2.087 1.00 0.36 N ATOM 2471 CA CYS B 67 153.521 15.071 -1.133 1.00 0.37 C ATOM 2472 C CYS B 67 154.812 15.447 -1.864 1.00 0.37 C ATOM 2473 O CYS B 67 155.655 16.135 -1.323 1.00 0.39 O ATOM 2474 CB CYS B 67 153.755 13.775 -0.356 1.00 0.36 C ATOM 2475 SG CYS B 67 154.340 12.491 -1.488 1.00 0.36 S ATOM 0 H CYS B 67 152.588 14.270 -2.891 1.00 0.36 H new ATOM 0 HA CYS B 67 153.259 15.891 -0.464 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.487 13.939 0.434 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.831 13.456 0.127 1.00 0.36 H new ATOM 0 HG CYS B 67 153.462 12.310 -2.430 1.00 0.36 H new ATOM 2481 N GLY B 68 154.986 14.992 -3.082 1.00 0.35 N ATOM 2482 CA GLY B 68 156.237 15.311 -3.845 1.00 0.36 C ATOM 2483 C GLY B 68 157.129 14.067 -3.893 1.00 0.34 C ATOM 2484 O GLY B 68 158.297 14.147 -4.222 1.00 0.33 O ATOM 0 H GLY B 68 154.314 14.411 -3.583 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.988 15.634 -4.856 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.768 16.135 -3.369 1.00 0.36 H new ATOM 2488 N ALA B 69 156.596 12.919 -3.569 1.00 0.32 N ATOM 2489 CA ALA B 69 157.423 11.677 -3.601 1.00 0.31 C ATOM 2490 C ALA B 69 158.143 11.585 -4.945 1.00 0.31 C ATOM 2491 O ALA B 69 157.675 12.092 -5.944 1.00 0.32 O ATOM 2492 CB ALA B 69 156.519 10.454 -3.425 1.00 0.31 C ATOM 0 H ALA B 69 155.626 12.787 -3.284 1.00 0.32 H new ATOM 0 HA ALA B 69 158.154 11.706 -2.793 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.124 9.548 -3.449 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.001 10.519 -2.468 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.788 10.423 -4.233 1.00 0.31 H new ATOM 2498 N ASN B 70 159.288 10.957 -4.980 1.00 0.29 N ATOM 2499 CA ASN B 70 160.044 10.852 -6.261 1.00 0.29 C ATOM 2500 C ASN B 70 159.628 9.578 -6.997 1.00 0.29 C ATOM 2501 O ASN B 70 158.908 8.750 -6.476 1.00 0.29 O ATOM 2502 CB ASN B 70 161.544 10.793 -5.961 1.00 0.29 C ATOM 2503 CG ASN B 70 162.017 12.141 -5.408 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.217 13.171 -5.451 1.00 1.91 O flip ATOM 2505 ND2 ASN B 70 163.127 12.256 -4.929 1.00 1.78 N flip ATOM 0 H ASN B 70 159.732 10.512 -4.177 1.00 0.29 H new ATOM 0 HA ASN B 70 159.826 11.720 -6.883 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.749 10.002 -5.240 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.096 10.548 -6.868 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.753 11.452 -4.895 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.433 13.157 -4.561 1.00 1.78 H new ATOM 2512 N ALA B 71 160.070 9.424 -8.213 1.00 0.31 N ATOM 2513 CA ALA B 71 159.698 8.217 -9.002 1.00 0.33 C ATOM 2514 C ALA B 71 160.177 6.947 -8.295 1.00 0.31 C ATOM 2515 O ALA B 71 159.529 5.921 -8.350 1.00 0.31 O ATOM 2516 CB ALA B 71 160.346 8.295 -10.385 1.00 0.38 C ATOM 0 H ALA B 71 160.676 10.086 -8.697 1.00 0.31 H new ATOM 0 HA ALA B 71 158.613 8.182 -9.098 1.00 0.33 H new ATOM 0 HB1 ALA B 71 160.075 7.412 -10.964 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.996 9.189 -10.901 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.430 8.339 -10.277 1.00 0.38 H new ATOM 2522 N LYS B 72 161.308 6.990 -7.644 1.00 0.29 N ATOM 2523 CA LYS B 72 161.802 5.759 -6.964 1.00 0.28 C ATOM 2524 C LYS B 72 160.943 5.460 -5.733 1.00 0.26 C ATOM 2525 O LYS B 72 160.621 4.323 -5.448 1.00 0.26 O ATOM 2526 CB LYS B 72 163.259 5.962 -6.535 1.00 0.28 C ATOM 2527 CG LYS B 72 164.139 6.116 -7.777 1.00 1.18 C ATOM 2528 CD LYS B 72 165.595 6.321 -7.354 1.00 1.28 C ATOM 2529 CE LYS B 72 166.470 6.475 -8.600 1.00 2.10 C ATOM 2530 NZ LYS B 72 167.907 6.499 -8.202 1.00 2.57 N ATOM 0 H LYS B 72 161.904 7.813 -7.554 1.00 0.29 H new ATOM 0 HA LYS B 72 161.738 4.919 -7.656 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.344 6.847 -5.904 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.596 5.113 -5.940 1.00 0.28 H new ATOM 0 HG2 LYS B 72 164.054 5.230 -8.407 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.800 6.964 -8.372 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.681 7.206 -6.724 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.935 5.473 -6.760 1.00 1.28 H new ATOM 0 HE2 LYS B 72 166.287 5.651 -9.289 1.00 2.10 H new ATOM 0 HE3 LYS B 72 166.213 7.394 -9.126 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 168.500 6.604 -9.050 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 168.076 7.300 -7.560 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 168.148 5.610 -7.718 1.00 2.57 H new ATOM 2544 N GLN B 73 160.588 6.473 -4.990 1.00 0.25 N ATOM 2545 CA GLN B 73 159.770 6.256 -3.764 1.00 0.24 C ATOM 2546 C GLN B 73 158.377 5.770 -4.141 1.00 0.25 C ATOM 2547 O GLN B 73 157.809 4.911 -3.495 1.00 0.25 O ATOM 2548 CB GLN B 73 159.656 7.575 -2.997 1.00 0.26 C ATOM 2549 CG GLN B 73 161.015 7.931 -2.390 1.00 0.28 C ATOM 2550 CD GLN B 73 160.911 9.268 -1.654 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.790 10.369 -2.343 1.00 2.12 O flip ATOM 2552 NE2 GLN B 73 160.939 9.309 -0.440 1.00 1.89 N flip ATOM 0 H GLN B 73 160.831 7.445 -5.181 1.00 0.25 H new ATOM 0 HA GLN B 73 160.252 5.502 -3.141 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.325 8.370 -3.666 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.906 7.487 -2.211 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.334 7.149 -1.701 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.770 7.993 -3.174 1.00 0.28 H new ATOM 0 HE21 GLN B 73 161.034 8.447 0.097 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.868 10.205 0.042 1.00 1.89 H new ATOM 2561 N SER B 74 157.816 6.318 -5.181 1.00 0.26 N ATOM 2562 CA SER B 74 156.457 5.903 -5.606 1.00 0.27 C ATOM 2563 C SER B 74 156.465 4.440 -6.050 1.00 0.26 C ATOM 2564 O SER B 74 155.537 3.701 -5.789 1.00 0.26 O ATOM 2565 CB SER B 74 156.008 6.784 -6.766 1.00 0.30 C ATOM 2566 OG SER B 74 155.987 8.140 -6.343 1.00 1.36 O ATOM 0 H SER B 74 158.246 7.041 -5.758 1.00 0.26 H new ATOM 0 HA SER B 74 155.769 6.012 -4.767 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.685 6.665 -7.612 1.00 0.30 H new ATOM 0 HB3 SER B 74 155.018 6.481 -7.106 1.00 0.30 H new ATOM 0 HG SER B 74 156.901 8.494 -6.332 1.00 1.36 H new ATOM 2572 N ARG B 75 157.497 4.010 -6.728 1.00 0.27 N ATOM 2573 CA ARG B 75 157.552 2.598 -7.197 1.00 0.27 C ATOM 2574 C ARG B 75 157.489 1.670 -5.989 1.00 0.26 C ATOM 2575 O ARG B 75 156.875 0.622 -6.039 1.00 0.26 O ATOM 2576 CB ARG B 75 158.868 2.366 -7.950 1.00 0.29 C ATOM 2577 CG ARG B 75 158.864 3.119 -9.294 1.00 0.32 C ATOM 2578 CD ARG B 75 158.170 2.287 -10.378 1.00 0.61 C ATOM 2579 NE ARG B 75 159.059 1.159 -10.774 1.00 1.35 N ATOM 2580 CZ ARG B 75 158.586 0.162 -11.471 1.00 1.82 C ATOM 2581 NH1 ARG B 75 157.327 0.147 -11.819 1.00 1.89 N ATOM 2582 NH2 ARG B 75 159.371 -0.819 -11.819 1.00 2.81 N ATOM 0 H ARG B 75 158.306 4.580 -6.977 1.00 0.27 H new ATOM 0 HA ARG B 75 156.712 2.395 -7.861 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.706 2.703 -7.340 1.00 0.29 H new ATOM 0 HB3 ARG B 75 159.010 1.300 -8.125 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.353 4.075 -9.180 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.888 3.339 -9.597 1.00 0.32 H new ATOM 0 HD2 ARG B 75 157.220 1.904 -10.006 1.00 0.61 H new ATOM 0 HD3 ARG B 75 157.946 2.910 -11.244 1.00 0.61 H new ATOM 0 HE ARG B 75 160.041 1.166 -10.499 1.00 1.35 H new ATOM 0 HH11 ARG B 75 156.713 0.915 -11.546 1.00 1.89 H new ATOM 0 HH12 ARG B 75 156.958 -0.632 -12.364 1.00 1.89 H new ATOM 0 HH21 ARG B 75 160.354 -0.807 -11.547 1.00 2.81 H new ATOM 0 HH22 ARG B 75 159.002 -1.599 -12.364 1.00 2.81 H new ATOM 2596 N ASP B 76 158.131 2.019 -4.910 1.00 0.24 N ATOM 2597 CA ASP B 76 158.128 1.138 -3.715 1.00 0.24 C ATOM 2598 C ASP B 76 156.736 1.089 -3.087 1.00 0.22 C ATOM 2599 O ASP B 76 156.285 0.045 -2.663 1.00 0.22 O ATOM 2600 CB ASP B 76 159.129 1.678 -2.694 1.00 0.23 C ATOM 2601 CG ASP B 76 160.552 1.469 -3.218 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.731 0.599 -4.056 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.437 2.183 -2.777 1.00 0.39 O ATOM 0 H ASP B 76 158.661 2.884 -4.806 1.00 0.24 H new ATOM 0 HA ASP B 76 158.408 0.129 -4.017 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.947 2.738 -2.516 1.00 0.23 H new ATOM 0 HB3 ASP B 76 159.003 1.168 -1.739 1.00 0.23 H new ATOM 2608 N CYS B 77 156.039 2.191 -3.023 1.00 0.22 N ATOM 2609 CA CYS B 77 154.679 2.156 -2.423 1.00 0.21 C ATOM 2610 C CYS B 77 153.730 1.376 -3.331 1.00 0.22 C ATOM 2611 O CYS B 77 152.897 0.628 -2.865 1.00 0.21 O ATOM 2612 CB CYS B 77 154.158 3.582 -2.252 1.00 0.22 C ATOM 2613 SG CYS B 77 155.004 4.361 -0.858 1.00 0.23 S ATOM 0 H CYS B 77 156.350 3.103 -3.357 1.00 0.22 H new ATOM 0 HA CYS B 77 154.731 1.666 -1.451 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.328 4.156 -3.163 1.00 0.22 H new ATOM 0 HB3 CYS B 77 153.082 3.570 -2.079 1.00 0.22 H new ATOM 0 HG CYS B 77 155.440 3.443 -0.047 1.00 0.23 H new ATOM 2619 N PHE B 78 153.825 1.543 -4.620 1.00 0.23 N ATOM 2620 CA PHE B 78 152.890 0.803 -5.507 1.00 0.25 C ATOM 2621 C PHE B 78 153.051 -0.700 -5.294 1.00 0.24 C ATOM 2622 O PHE B 78 152.119 -1.388 -4.927 1.00 0.23 O ATOM 2623 CB PHE B 78 153.183 1.153 -6.965 1.00 0.28 C ATOM 2624 CG PHE B 78 152.266 0.355 -7.858 1.00 0.32 C ATOM 2625 CD1 PHE B 78 151.017 0.872 -8.220 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.666 -0.902 -8.323 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.166 0.131 -9.047 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.816 -1.644 -9.151 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.566 -1.127 -9.513 1.00 0.42 C ATOM 0 H PHE B 78 154.497 2.149 -5.090 1.00 0.23 H new ATOM 0 HA PHE B 78 151.866 1.088 -5.266 1.00 0.25 H new ATOM 0 HB2 PHE B 78 153.036 2.220 -7.132 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.224 0.933 -7.203 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.710 1.843 -7.861 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.630 -1.300 -8.043 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.201 0.529 -9.326 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.124 -2.615 -9.511 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.910 -1.699 -10.152 1.00 0.42 H new ATOM 2639 N GLY B 79 154.223 -1.219 -5.529 1.00 0.25 N ATOM 2640 CA GLY B 79 154.441 -2.681 -5.349 1.00 0.25 C ATOM 2641 C GLY B 79 154.153 -3.080 -3.900 1.00 0.23 C ATOM 2642 O GLY B 79 153.695 -4.168 -3.623 1.00 0.24 O ATOM 0 H GLY B 79 155.041 -0.693 -5.838 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.792 -3.239 -6.024 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.468 -2.938 -5.608 1.00 0.25 H new ATOM 2646 N CYS B 80 154.414 -2.208 -2.976 1.00 0.22 N ATOM 2647 CA CYS B 80 154.149 -2.547 -1.550 1.00 0.21 C ATOM 2648 C CYS B 80 152.643 -2.635 -1.303 1.00 0.21 C ATOM 2649 O CYS B 80 152.156 -3.600 -0.748 1.00 0.22 O ATOM 2650 CB CYS B 80 154.750 -1.470 -0.651 1.00 0.22 C ATOM 2651 SG CYS B 80 154.517 -1.928 1.084 1.00 0.24 S ATOM 0 H CYS B 80 154.798 -1.277 -3.141 1.00 0.22 H new ATOM 0 HA CYS B 80 154.604 -3.511 -1.322 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.812 -1.353 -0.867 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.276 -0.509 -0.851 1.00 0.22 H new ATOM 0 HG CYS B 80 154.006 -0.924 1.733 1.00 0.24 H new ATOM 2657 N LEU B 81 151.896 -1.651 -1.716 1.00 0.21 N ATOM 2658 CA LEU B 81 150.427 -1.727 -1.496 1.00 0.21 C ATOM 2659 C LEU B 81 149.830 -2.786 -2.438 1.00 0.21 C ATOM 2660 O LEU B 81 148.955 -3.540 -2.062 1.00 0.22 O ATOM 2661 CB LEU B 81 149.799 -0.359 -1.794 1.00 0.22 C ATOM 2662 CG LEU B 81 150.405 0.714 -0.873 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.777 2.071 -1.200 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.148 0.365 0.604 1.00 0.28 C ATOM 0 H LEU B 81 152.231 -0.811 -2.188 1.00 0.21 H new ATOM 0 HA LEU B 81 150.221 -2.002 -0.462 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.969 -0.092 -2.837 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.720 -0.406 -1.649 1.00 0.22 H new ATOM 0 HG LEU B 81 151.482 0.756 -1.036 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.203 2.835 -0.550 1.00 0.29 H new ATOM 0 HD12 LEU B 81 149.980 2.325 -2.240 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.700 2.021 -1.043 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.584 1.135 1.241 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.074 0.310 0.783 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.604 -0.598 0.835 1.00 0.28 H new ATOM 2676 N ARG B 82 150.297 -2.845 -3.664 1.00 0.22 N ATOM 2677 CA ARG B 82 149.760 -3.846 -4.639 1.00 0.24 C ATOM 2678 C ARG B 82 150.002 -5.268 -4.119 1.00 0.25 C ATOM 2679 O ARG B 82 149.145 -6.124 -4.213 1.00 0.26 O ATOM 2680 CB ARG B 82 150.472 -3.657 -5.993 1.00 0.28 C ATOM 2681 CG ARG B 82 149.963 -4.663 -7.052 1.00 0.32 C ATOM 2682 CD ARG B 82 148.655 -4.165 -7.686 1.00 0.85 C ATOM 2683 NE ARG B 82 147.858 -5.340 -8.168 1.00 1.42 N ATOM 2684 CZ ARG B 82 148.383 -6.243 -8.954 1.00 1.96 C ATOM 2685 NH1 ARG B 82 149.553 -6.048 -9.500 1.00 2.26 N ATOM 2686 NH2 ARG B 82 147.708 -7.323 -9.240 1.00 2.74 N ATOM 0 H ARG B 82 151.031 -2.239 -4.032 1.00 0.22 H new ATOM 0 HA ARG B 82 148.687 -3.697 -4.762 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.311 -2.640 -6.350 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.547 -3.781 -5.860 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.719 -4.799 -7.825 1.00 0.32 H new ATOM 0 HG3 ARG B 82 149.801 -5.636 -6.589 1.00 0.32 H new ATOM 0 HD2 ARG B 82 148.079 -3.595 -6.958 1.00 0.85 H new ATOM 0 HD3 ARG B 82 148.873 -3.494 -8.517 1.00 0.85 H new ATOM 0 HE ARG B 82 146.885 -5.437 -7.876 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.065 -5.186 -9.314 1.00 2.26 H new ATOM 0 HH12 ARG B 82 149.955 -6.758 -10.112 1.00 2.26 H new ATOM 0 HH21 ARG B 82 146.775 -7.459 -8.851 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.113 -8.030 -9.853 1.00 2.74 H new ATOM 2700 N GLU B 83 151.161 -5.531 -3.585 1.00 0.25 N ATOM 2701 CA GLU B 83 151.454 -6.903 -3.078 1.00 0.27 C ATOM 2702 C GLU B 83 150.629 -7.185 -1.821 1.00 0.27 C ATOM 2703 O GLU B 83 150.162 -8.290 -1.624 1.00 0.28 O ATOM 2704 CB GLU B 83 152.958 -7.036 -2.771 1.00 0.29 C ATOM 2705 CG GLU B 83 153.743 -7.390 -4.051 1.00 0.33 C ATOM 2706 CD GLU B 83 153.220 -6.589 -5.251 1.00 1.20 C ATOM 2707 OE1 GLU B 83 152.288 -7.055 -5.887 1.00 1.57 O ATOM 2708 OE2 GLU B 83 153.762 -5.530 -5.515 1.00 1.91 O ATOM 0 H GLU B 83 151.919 -4.857 -3.477 1.00 0.25 H new ATOM 0 HA GLU B 83 151.184 -7.632 -3.842 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.334 -6.102 -2.354 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.114 -7.807 -2.017 1.00 0.29 H new ATOM 0 HG2 GLU B 83 154.802 -7.181 -3.903 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.654 -8.457 -4.254 1.00 0.33 H new ATOM 2715 N TRP B 84 150.415 -6.213 -0.974 1.00 0.25 N ATOM 2716 CA TRP B 84 149.592 -6.475 0.235 1.00 0.25 C ATOM 2717 C TRP B 84 148.208 -6.923 -0.232 1.00 0.26 C ATOM 2718 O TRP B 84 147.625 -7.850 0.295 1.00 0.28 O ATOM 2719 CB TRP B 84 149.461 -5.198 1.070 1.00 0.25 C ATOM 2720 CG TRP B 84 148.742 -5.516 2.341 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.341 -5.883 3.497 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.311 -5.517 2.603 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.369 -6.108 4.453 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.100 -5.896 3.951 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.185 -5.229 1.811 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.819 -5.987 4.494 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.893 -5.318 2.354 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.710 -5.697 3.692 1.00 0.36 C ATOM 0 H TRP B 84 150.771 -5.262 -1.068 1.00 0.25 H new ATOM 0 HA TRP B 84 150.061 -7.243 0.850 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.447 -4.789 1.288 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.917 -4.437 0.510 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.406 -5.984 3.648 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.565 -6.395 5.412 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.315 -4.938 0.779 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.684 -6.279 5.525 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.035 -5.093 1.738 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.714 -5.765 4.103 1.00 0.36 H new ATOM 2739 N CYS B 85 147.678 -6.254 -1.222 1.00 0.27 N ATOM 2740 CA CYS B 85 146.330 -6.614 -1.744 1.00 0.30 C ATOM 2741 C CYS B 85 146.337 -8.052 -2.273 1.00 0.33 C ATOM 2742 O CYS B 85 145.403 -8.804 -2.082 1.00 0.36 O ATOM 2743 CB CYS B 85 145.972 -5.649 -2.880 1.00 0.33 C ATOM 2744 SG CYS B 85 145.481 -4.054 -2.182 1.00 0.33 S ATOM 0 H CYS B 85 148.126 -5.468 -1.694 1.00 0.27 H new ATOM 0 HA CYS B 85 145.594 -6.541 -0.943 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.826 -5.520 -3.545 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.161 -6.061 -3.480 1.00 0.33 H new ATOM 0 HG CYS B 85 145.179 -3.234 -3.144 1.00 0.33 H new ATOM 2750 N ASP B 86 147.385 -8.439 -2.940 1.00 0.34 N ATOM 2751 CA ASP B 86 147.456 -9.821 -3.487 1.00 0.40 C ATOM 2752 C ASP B 86 147.359 -10.847 -2.355 1.00 0.41 C ATOM 2753 O ASP B 86 146.824 -11.924 -2.526 1.00 0.43 O ATOM 2754 CB ASP B 86 148.777 -10.009 -4.237 1.00 0.42 C ATOM 2755 CG ASP B 86 148.753 -9.184 -5.524 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.669 -8.824 -5.954 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.819 -8.931 -6.063 1.00 0.52 O ATOM 0 H ASP B 86 148.200 -7.856 -3.131 1.00 0.34 H new ATOM 0 HA ASP B 86 146.621 -9.972 -4.172 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.612 -9.699 -3.609 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.928 -11.063 -4.470 1.00 0.42 H new ATOM 2762 N ALA B 87 147.893 -10.532 -1.203 1.00 0.40 N ATOM 2763 CA ALA B 87 147.851 -11.505 -0.067 1.00 0.43 C ATOM 2764 C ALA B 87 146.613 -11.270 0.813 1.00 0.43 C ATOM 2765 O ALA B 87 146.068 -12.199 1.377 1.00 0.47 O ATOM 2766 CB ALA B 87 149.117 -11.336 0.779 1.00 0.40 C ATOM 0 H ALA B 87 148.355 -9.646 -0.999 1.00 0.40 H new ATOM 0 HA ALA B 87 147.797 -12.516 -0.471 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.096 -12.041 1.610 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.995 -11.528 0.162 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.162 -10.319 1.167 1.00 0.40 H new ATOM 2772 N PHE B 88 146.191 -10.038 0.967 1.00 0.39 N ATOM 2773 CA PHE B 88 145.011 -9.736 1.852 1.00 0.44 C ATOM 2774 C PHE B 88 143.784 -9.304 1.042 1.00 0.54 C ATOM 2775 O PHE B 88 142.765 -8.955 1.604 1.00 1.24 O ATOM 2776 CB PHE B 88 145.373 -8.592 2.801 1.00 0.41 C ATOM 2777 CG PHE B 88 146.402 -9.049 3.805 1.00 0.38 C ATOM 2778 CD1 PHE B 88 145.986 -9.617 5.015 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.766 -8.891 3.537 1.00 0.35 C ATOM 2780 CE1 PHE B 88 146.935 -10.029 5.956 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.716 -9.299 4.480 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.299 -9.869 5.689 1.00 0.44 C ATOM 0 H PHE B 88 146.611 -9.224 0.519 1.00 0.39 H new ATOM 0 HA PHE B 88 144.769 -10.648 2.398 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.761 -7.747 2.232 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.479 -8.244 3.319 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.933 -9.737 5.222 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.086 -8.454 2.602 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.615 -10.470 6.888 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.769 -9.174 4.276 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.032 -10.186 6.417 1.00 0.44 H new ATOM 2792 N LEU B 89 143.872 -9.277 -0.262 1.00 0.39 N ATOM 2793 CA LEU B 89 142.705 -8.811 -1.079 1.00 0.36 C ATOM 2794 C LEU B 89 142.612 -9.636 -2.366 1.00 0.87 C ATOM 2795 O LEU B 89 143.393 -9.383 -3.267 1.00 1.43 O ATOM 2796 CB LEU B 89 142.942 -7.336 -1.423 1.00 0.74 C ATOM 2797 CG LEU B 89 141.634 -6.645 -1.856 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.829 -6.200 -0.623 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.970 -5.415 -2.717 1.00 1.27 C ATOM 2800 OXT LEU B 89 141.759 -10.507 -2.426 1.00 1.67 O ATOM 0 H LEU B 89 144.695 -9.555 -0.797 1.00 0.39 H new ATOM 0 HA LEU B 89 141.774 -8.931 -0.525 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.359 -6.821 -0.557 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.678 -7.261 -2.224 1.00 0.74 H new ATOM 0 HG LEU B 89 141.035 -7.350 -2.432 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.908 -5.714 -0.946 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.585 -7.071 -0.014 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.422 -5.500 -0.035 1.00 1.00 H new ATOM 0 HD21 LEU B 89 141.047 -4.924 -3.025 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.575 -4.719 -2.136 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.526 -5.730 -3.600 1.00 1.27 H new TER 2812 LEU B 89