USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ 170:sc= 0.347 (180deg=0.207) USER MOD Set 1.2: A 78 SER OG : rot -34:sc= 0.109 USER MOD Set 2.1: A 60 SER OG : rot 41:sc= -0.574 USER MOD Set 2.2: A 90 TYR OH : rot 130:sc= 0.159 USER MOD Set 3.1: A 11 GLN : amide:sc= -0.353 X(o=-0.26,f=-0.42) USER MOD Set 3.2: A 32 ASN : amide:sc= 0.0948 X(o=-0.26,f=-0.42) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.17 (180deg=0.533) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 59:sc= 0.221 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -125:sc= 1.58 (180deg=0.309) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0.521 (180deg=0.391) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.0817 USER MOD Single : A 29 GLN : amide:sc= -0.0629 X(o=-0.063,f=-0.063) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 133:sc= 0.391 USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -0.831 (180deg=-3.55!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 48 MET CE :methyl -172:sc= -1.44 (180deg=-1.58) USER MOD Single : A 53 THR OG1 : rot 120:sc= 0.156 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 66:sc= 0.494 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 0.766 (180deg=0.612) USER MOD Single : A 65 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.04) USER MOD Single : A 69 SER OG : rot 180:sc= -0.343 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.239 (180deg=-0.243) USER MOD Single : A 77 SER OG : rot 160:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0745 X(o=-0.075,f=0) USER MOD Single : A 85 SER OG : rot 73:sc= 1.01 USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -0.0416 (180deg=-1.28) USER MOD Single : A 89 GLN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -90:sc= -0.149 USER MOD Single : A 99 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.39) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0.444 (180deg=0.444) USER MOD Single : A 105 LYS NZ :NH3+ 146:sc= 0.822 (180deg=0.704) USER MOD Single : A 113 LYS NZ :NH3+ -126:sc= 0.135 (180deg=-1.41!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.0891 K(o=-0.089,f=-0.66) USER MOD Single : A 121 HIS : no HD1:sc= -1.2 K(o=-1.2,f=0.12) USER MOD Single : A 122 HIS : no HD1:sc= -0.363 X(o=-0.36,f=0.0036) USER MOD Single : A 123 HIS : no HD1:sc= -0.474 X(o=-0.47,f=0.011) USER MOD Single : A 124 HIS : no HD1:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.191 7.781 -4.424 1.00 50.15 N ATOM 2 CA MET A 1 15.031 6.872 -4.234 1.00 14.32 C ATOM 3 C MET A 1 14.587 6.886 -2.752 1.00 51.55 C ATOM 4 O MET A 1 15.008 7.756 -1.981 1.00 15.35 O ATOM 5 CB MET A 1 15.389 5.436 -4.711 1.00 71.33 C ATOM 6 CG MET A 1 15.687 5.301 -6.213 1.00 51.22 C ATOM 7 SD MET A 1 17.147 6.236 -6.726 1.00 55.41 S ATOM 8 CE MET A 1 17.220 5.867 -8.482 1.00 23.43 C ATOM 0 H1 MET A 1 16.721 7.495 -5.272 1.00 50.15 H new ATOM 0 H2 MET A 1 15.852 8.757 -4.541 1.00 50.15 H new ATOM 0 H3 MET A 1 16.813 7.728 -3.592 1.00 50.15 H new ATOM 0 HA MET A 1 14.194 7.222 -4.839 1.00 14.32 H new ATOM 0 HB2 MET A 1 16.259 5.091 -4.152 1.00 71.33 H new ATOM 0 HB3 MET A 1 14.563 4.770 -4.459 1.00 71.33 H new ATOM 0 HG2 MET A 1 15.831 4.248 -6.457 1.00 51.22 H new ATOM 0 HG3 MET A 1 14.823 5.644 -6.782 1.00 51.22 H new ATOM 0 HE1 MET A 1 18.074 6.379 -8.926 1.00 23.43 H new ATOM 0 HE2 MET A 1 17.328 4.792 -8.624 1.00 23.43 H new ATOM 0 HE3 MET A 1 16.303 6.206 -8.963 1.00 23.43 H new ATOM 20 N GLY A 2 13.729 5.920 -2.369 1.00 0.41 N ATOM 21 CA GLY A 2 13.126 5.871 -1.030 1.00 63.04 C ATOM 22 C GLY A 2 11.782 6.595 -0.974 1.00 44.01 C ATOM 23 O GLY A 2 11.247 6.813 0.112 1.00 4.24 O ATOM 0 H GLY A 2 13.438 5.156 -2.979 1.00 0.41 H new ATOM 0 HA2 GLY A 2 12.989 4.831 -0.733 1.00 63.04 H new ATOM 0 HA3 GLY A 2 13.809 6.321 -0.309 1.00 63.04 H new ATOM 27 N LYS A 3 11.234 6.963 -2.158 1.00 13.14 N ATOM 28 CA LYS A 3 9.966 7.716 -2.258 1.00 51.04 C ATOM 29 C LYS A 3 8.779 6.846 -1.822 1.00 31.30 C ATOM 30 O LYS A 3 8.344 5.955 -2.575 1.00 41.13 O ATOM 31 CB LYS A 3 9.737 8.275 -3.697 1.00 24.22 C ATOM 32 CG LYS A 3 8.414 9.081 -3.881 1.00 74.31 C ATOM 33 CD LYS A 3 8.255 10.197 -2.808 1.00 44.44 C ATOM 34 CE LYS A 3 6.976 11.031 -2.964 1.00 25.41 C ATOM 35 NZ LYS A 3 6.997 11.881 -4.177 1.00 60.43 N ATOM 0 H LYS A 3 11.656 6.747 -3.061 1.00 13.14 H new ATOM 0 HA LYS A 3 10.040 8.568 -1.582 1.00 51.04 H new ATOM 0 HB2 LYS A 3 10.577 8.917 -3.960 1.00 24.22 H new ATOM 0 HB3 LYS A 3 9.740 7.442 -4.400 1.00 24.22 H new ATOM 0 HG2 LYS A 3 8.398 9.529 -4.875 1.00 74.31 H new ATOM 0 HG3 LYS A 3 7.564 8.400 -3.824 1.00 74.31 H new ATOM 0 HD2 LYS A 3 8.261 9.740 -1.819 1.00 44.44 H new ATOM 0 HD3 LYS A 3 9.118 10.861 -2.857 1.00 44.44 H new ATOM 0 HE2 LYS A 3 6.115 10.365 -3.006 1.00 25.41 H new ATOM 0 HE3 LYS A 3 6.848 11.662 -2.084 1.00 25.41 H new ATOM 0 HZ1 LYS A 3 6.112 12.424 -4.236 1.00 60.43 H new ATOM 0 HZ2 LYS A 3 7.802 12.537 -4.127 1.00 60.43 H new ATOM 0 HZ3 LYS A 3 7.092 11.280 -5.020 1.00 60.43 H new ATOM 49 N VAL A 4 8.276 7.138 -0.605 1.00 22.35 N ATOM 50 CA VAL A 4 7.148 6.435 0.001 1.00 51.45 C ATOM 51 C VAL A 4 5.845 7.128 -0.415 1.00 23.34 C ATOM 52 O VAL A 4 5.708 8.349 -0.246 1.00 43.13 O ATOM 53 CB VAL A 4 7.213 6.415 1.579 1.00 44.02 C ATOM 54 CG1 VAL A 4 6.169 5.421 2.154 1.00 0.42 C ATOM 55 CG2 VAL A 4 8.643 6.125 2.100 1.00 21.23 C ATOM 0 H VAL A 4 8.653 7.880 -0.015 1.00 22.35 H new ATOM 0 HA VAL A 4 7.189 5.404 -0.350 1.00 51.45 H new ATOM 0 HB VAL A 4 6.957 7.412 1.937 1.00 44.02 H new ATOM 0 HG11 VAL A 4 6.228 5.420 3.242 1.00 0.42 H new ATOM 0 HG12 VAL A 4 5.169 5.725 1.845 1.00 0.42 H new ATOM 0 HG13 VAL A 4 6.376 4.419 1.779 1.00 0.42 H new ATOM 0 HG21 VAL A 4 8.639 6.121 3.190 1.00 21.23 H new ATOM 0 HG22 VAL A 4 8.973 5.153 1.735 1.00 21.23 H new ATOM 0 HG23 VAL A 4 9.324 6.897 1.742 1.00 21.23 H new ATOM 65 N VAL A 5 4.909 6.355 -0.974 1.00 62.03 N ATOM 66 CA VAL A 5 3.553 6.820 -1.291 1.00 62.32 C ATOM 67 C VAL A 5 2.541 5.810 -0.729 1.00 75.25 C ATOM 68 O VAL A 5 2.575 4.632 -1.079 1.00 60.11 O ATOM 69 CB VAL A 5 3.338 7.008 -2.846 1.00 24.40 C ATOM 70 CG1 VAL A 5 1.872 7.375 -3.189 1.00 23.13 C ATOM 71 CG2 VAL A 5 4.325 8.063 -3.423 1.00 5.52 C ATOM 0 H VAL A 5 5.072 5.379 -1.222 1.00 62.03 H new ATOM 0 HA VAL A 5 3.406 7.797 -0.832 1.00 62.32 H new ATOM 0 HB VAL A 5 3.550 6.048 -3.318 1.00 24.40 H new ATOM 0 HG11 VAL A 5 1.770 7.495 -4.268 1.00 23.13 H new ATOM 0 HG12 VAL A 5 1.209 6.580 -2.848 1.00 23.13 H new ATOM 0 HG13 VAL A 5 1.605 8.308 -2.693 1.00 23.13 H new ATOM 0 HG21 VAL A 5 4.155 8.172 -4.494 1.00 5.52 H new ATOM 0 HG22 VAL A 5 4.162 9.021 -2.930 1.00 5.52 H new ATOM 0 HG23 VAL A 5 5.350 7.735 -3.250 1.00 5.52 H new ATOM 81 N PHE A 6 1.675 6.273 0.183 1.00 52.24 N ATOM 82 CA PHE A 6 0.565 5.468 0.710 1.00 62.31 C ATOM 83 C PHE A 6 -0.712 5.773 -0.091 1.00 64.12 C ATOM 84 O PHE A 6 -0.933 6.908 -0.528 1.00 34.30 O ATOM 85 CB PHE A 6 0.345 5.738 2.222 1.00 74.32 C ATOM 86 CG PHE A 6 -0.795 4.910 2.832 1.00 74.55 C ATOM 87 CD1 PHE A 6 -0.617 3.558 3.104 1.00 2.31 C ATOM 88 CD2 PHE A 6 -2.045 5.475 3.109 1.00 15.13 C ATOM 89 CE1 PHE A 6 -1.645 2.787 3.601 1.00 21.12 C ATOM 90 CE2 PHE A 6 -3.072 4.703 3.615 1.00 2.14 C ATOM 91 CZ PHE A 6 -2.866 3.361 3.869 1.00 33.34 C ATOM 0 H PHE A 6 1.724 7.213 0.575 1.00 52.24 H new ATOM 0 HA PHE A 6 0.813 4.412 0.601 1.00 62.31 H new ATOM 0 HB2 PHE A 6 1.268 5.522 2.760 1.00 74.32 H new ATOM 0 HB3 PHE A 6 0.132 6.797 2.367 1.00 74.32 H new ATOM 0 HD1 PHE A 6 0.346 3.104 2.922 1.00 2.31 H new ATOM 0 HD2 PHE A 6 -2.208 6.527 2.925 1.00 15.13 H new ATOM 0 HE1 PHE A 6 -1.492 1.733 3.780 1.00 21.12 H new ATOM 0 HE2 PHE A 6 -4.036 5.148 3.812 1.00 2.14 H new ATOM 0 HZ PHE A 6 -3.665 2.761 4.279 1.00 33.34 H new ATOM 101 N LEU A 7 -1.542 4.743 -0.261 1.00 63.10 N ATOM 102 CA LEU A 7 -2.803 4.809 -0.999 1.00 74.43 C ATOM 103 C LEU A 7 -3.885 4.057 -0.205 1.00 65.51 C ATOM 104 O LEU A 7 -3.622 2.969 0.316 1.00 72.25 O ATOM 105 CB LEU A 7 -2.606 4.175 -2.405 1.00 32.42 C ATOM 106 CG LEU A 7 -3.879 4.054 -3.287 1.00 63.20 C ATOM 107 CD1 LEU A 7 -4.508 5.443 -3.575 1.00 64.41 C ATOM 108 CD2 LEU A 7 -3.567 3.275 -4.586 1.00 20.24 C ATOM 0 H LEU A 7 -1.351 3.817 0.121 1.00 63.10 H new ATOM 0 HA LEU A 7 -3.117 5.845 -1.127 1.00 74.43 H new ATOM 0 HB2 LEU A 7 -1.868 4.767 -2.947 1.00 32.42 H new ATOM 0 HB3 LEU A 7 -2.183 3.179 -2.275 1.00 32.42 H new ATOM 0 HG LEU A 7 -4.625 3.485 -2.732 1.00 63.20 H new ATOM 0 HD11 LEU A 7 -5.396 5.319 -4.194 1.00 64.41 H new ATOM 0 HD12 LEU A 7 -4.785 5.919 -2.634 1.00 64.41 H new ATOM 0 HD13 LEU A 7 -3.785 6.068 -4.099 1.00 64.41 H new ATOM 0 HD21 LEU A 7 -4.470 3.200 -5.191 1.00 20.24 H new ATOM 0 HD22 LEU A 7 -2.796 3.800 -5.149 1.00 20.24 H new ATOM 0 HD23 LEU A 7 -3.215 2.275 -4.335 1.00 20.24 H new ATOM 120 N SER A 8 -5.081 4.657 -0.092 1.00 43.44 N ATOM 121 CA SER A 8 -6.284 3.984 0.435 1.00 31.23 C ATOM 122 C SER A 8 -7.540 4.724 -0.056 1.00 45.20 C ATOM 123 O SER A 8 -7.472 5.898 -0.437 1.00 73.05 O ATOM 124 CB SER A 8 -6.270 3.920 1.985 1.00 35.51 C ATOM 125 OG SER A 8 -7.397 3.219 2.500 1.00 5.42 O ATOM 0 H SER A 8 -5.244 5.626 -0.364 1.00 43.44 H new ATOM 0 HA SER A 8 -6.293 2.959 0.065 1.00 31.23 H new ATOM 0 HB2 SER A 8 -5.355 3.431 2.319 1.00 35.51 H new ATOM 0 HB3 SER A 8 -6.257 4.932 2.390 1.00 35.51 H new ATOM 0 HG SER A 8 -7.407 2.307 2.141 1.00 5.42 H new ATOM 131 N ASP A 9 -8.681 4.025 -0.038 1.00 11.44 N ATOM 132 CA ASP A 9 -9.990 4.592 -0.422 1.00 2.35 C ATOM 133 C ASP A 9 -10.729 5.141 0.813 1.00 24.51 C ATOM 134 O ASP A 9 -11.677 5.934 0.686 1.00 34.22 O ATOM 135 CB ASP A 9 -10.840 3.498 -1.116 1.00 63.20 C ATOM 136 CG ASP A 9 -10.185 2.966 -2.403 1.00 25.20 C ATOM 137 OD1 ASP A 9 -9.393 2.003 -2.344 1.00 41.11 O ATOM 138 OD2 ASP A 9 -10.444 3.524 -3.491 1.00 63.31 O ATOM 0 H ASP A 9 -8.728 3.046 0.244 1.00 11.44 H new ATOM 0 HA ASP A 9 -9.830 5.419 -1.114 1.00 2.35 H new ATOM 0 HB2 ASP A 9 -10.996 2.671 -0.424 1.00 63.20 H new ATOM 0 HB3 ASP A 9 -11.823 3.904 -1.354 1.00 63.20 H new ATOM 143 N ASP A 10 -10.285 4.710 2.009 1.00 74.10 N ATOM 144 CA ASP A 10 -10.925 5.071 3.286 1.00 54.42 C ATOM 145 C ASP A 10 -10.047 6.083 4.051 1.00 61.22 C ATOM 146 O ASP A 10 -8.840 5.865 4.217 1.00 55.05 O ATOM 147 CB ASP A 10 -11.174 3.800 4.132 1.00 23.34 C ATOM 148 CG ASP A 10 -12.011 4.086 5.391 1.00 40.01 C ATOM 149 OD1 ASP A 10 -13.259 4.033 5.315 1.00 75.33 O ATOM 150 OD2 ASP A 10 -11.440 4.407 6.439 1.00 70.01 O ATOM 0 H ASP A 10 -9.473 4.102 2.116 1.00 74.10 H new ATOM 0 HA ASP A 10 -11.888 5.540 3.085 1.00 54.42 H new ATOM 0 HB2 ASP A 10 -11.684 3.055 3.522 1.00 23.34 H new ATOM 0 HB3 ASP A 10 -10.217 3.370 4.426 1.00 23.34 H new ATOM 155 N GLN A 11 -10.667 7.188 4.515 1.00 12.00 N ATOM 156 CA GLN A 11 -9.933 8.313 5.131 1.00 64.54 C ATOM 157 C GLN A 11 -9.499 8.014 6.592 1.00 51.22 C ATOM 158 O GLN A 11 -8.454 8.505 7.024 1.00 2.32 O ATOM 159 CB GLN A 11 -10.762 9.626 5.056 1.00 41.42 C ATOM 160 CG GLN A 11 -9.960 10.887 5.450 1.00 71.04 C ATOM 161 CD GLN A 11 -8.807 11.201 4.485 1.00 23.30 C ATOM 162 OE1 GLN A 11 -8.934 11.044 3.274 1.00 5.45 O ATOM 163 NE2 GLN A 11 -7.648 11.554 5.019 1.00 63.03 N ATOM 0 H GLN A 11 -11.677 7.325 4.474 1.00 12.00 H new ATOM 0 HA GLN A 11 -9.019 8.446 4.552 1.00 64.54 H new ATOM 0 HB2 GLN A 11 -11.141 9.749 4.042 1.00 41.42 H new ATOM 0 HB3 GLN A 11 -11.628 9.537 5.712 1.00 41.42 H new ATOM 0 HG2 GLN A 11 -10.636 11.742 5.488 1.00 71.04 H new ATOM 0 HG3 GLN A 11 -9.558 10.754 6.454 1.00 71.04 H new ATOM 0 HE21 GLN A 11 -7.568 11.678 6.028 1.00 63.03 H new ATOM 0 HE22 GLN A 11 -6.835 11.702 4.421 1.00 63.03 H new ATOM 172 N GLU A 12 -10.280 7.191 7.335 1.00 62.34 N ATOM 173 CA GLU A 12 -9.915 6.751 8.721 1.00 74.33 C ATOM 174 C GLU A 12 -8.557 6.039 8.710 1.00 43.22 C ATOM 175 O GLU A 12 -7.783 6.129 9.662 1.00 35.34 O ATOM 176 CB GLU A 12 -10.990 5.794 9.313 1.00 55.05 C ATOM 177 CG GLU A 12 -12.373 6.426 9.561 1.00 72.24 C ATOM 178 CD GLU A 12 -12.360 7.487 10.674 1.00 21.34 C ATOM 179 OE1 GLU A 12 -12.218 8.689 10.377 1.00 4.40 O ATOM 180 OE2 GLU A 12 -12.474 7.121 11.863 1.00 73.40 O ATOM 0 H GLU A 12 -11.168 6.814 7.005 1.00 62.34 H new ATOM 0 HA GLU A 12 -9.860 7.642 9.346 1.00 74.33 H new ATOM 0 HB2 GLU A 12 -11.112 4.949 8.636 1.00 55.05 H new ATOM 0 HB3 GLU A 12 -10.617 5.395 10.256 1.00 55.05 H new ATOM 0 HG2 GLU A 12 -12.729 6.882 8.637 1.00 72.24 H new ATOM 0 HG3 GLU A 12 -13.083 5.641 9.823 1.00 72.24 H new ATOM 187 N ILE A 13 -8.288 5.353 7.594 1.00 44.24 N ATOM 188 CA ILE A 13 -7.029 4.649 7.363 1.00 22.44 C ATOM 189 C ILE A 13 -5.892 5.669 7.119 1.00 35.45 C ATOM 190 O ILE A 13 -4.833 5.605 7.757 1.00 13.23 O ATOM 191 CB ILE A 13 -7.162 3.691 6.124 1.00 43.23 C ATOM 192 CG1 ILE A 13 -8.309 2.647 6.318 1.00 53.01 C ATOM 193 CG2 ILE A 13 -5.831 2.993 5.806 1.00 42.45 C ATOM 194 CD1 ILE A 13 -8.123 1.666 7.471 1.00 64.34 C ATOM 0 H ILE A 13 -8.947 5.272 6.820 1.00 44.24 H new ATOM 0 HA ILE A 13 -6.792 4.054 8.245 1.00 22.44 H new ATOM 0 HB ILE A 13 -7.425 4.313 5.268 1.00 43.23 H new ATOM 0 HG12 ILE A 13 -9.244 3.186 6.471 1.00 53.01 H new ATOM 0 HG13 ILE A 13 -8.417 2.078 5.395 1.00 53.01 H new ATOM 0 HG21 ILE A 13 -5.960 2.339 4.944 1.00 42.45 H new ATOM 0 HG22 ILE A 13 -5.072 3.742 5.582 1.00 42.45 H new ATOM 0 HG23 ILE A 13 -5.515 2.402 6.666 1.00 42.45 H new ATOM 0 HD11 ILE A 13 -8.976 0.989 7.514 1.00 64.34 H new ATOM 0 HD12 ILE A 13 -7.210 1.091 7.316 1.00 64.34 H new ATOM 0 HD13 ILE A 13 -8.050 2.217 8.409 1.00 64.34 H new ATOM 206 N ILE A 14 -6.157 6.627 6.203 1.00 4.30 N ATOM 207 CA ILE A 14 -5.154 7.597 5.712 1.00 52.00 C ATOM 208 C ILE A 14 -4.681 8.544 6.829 1.00 50.41 C ATOM 209 O ILE A 14 -3.493 8.840 6.918 1.00 25.40 O ATOM 210 CB ILE A 14 -5.729 8.411 4.482 1.00 12.33 C ATOM 211 CG1 ILE A 14 -6.010 7.447 3.279 1.00 33.23 C ATOM 212 CG2 ILE A 14 -4.800 9.584 4.054 1.00 50.02 C ATOM 213 CD1 ILE A 14 -6.552 8.113 2.025 1.00 52.03 C ATOM 0 H ILE A 14 -7.078 6.749 5.782 1.00 4.30 H new ATOM 0 HA ILE A 14 -4.282 7.034 5.378 1.00 52.00 H new ATOM 0 HB ILE A 14 -6.668 8.863 4.802 1.00 12.33 H new ATOM 0 HG12 ILE A 14 -5.084 6.931 3.025 1.00 33.23 H new ATOM 0 HG13 ILE A 14 -6.721 6.687 3.603 1.00 33.23 H new ATOM 0 HG21 ILE A 14 -5.242 10.108 3.207 1.00 50.02 H new ATOM 0 HG22 ILE A 14 -4.681 10.277 4.887 1.00 50.02 H new ATOM 0 HG23 ILE A 14 -3.825 9.190 3.768 1.00 50.02 H new ATOM 0 HD11 ILE A 14 -6.712 7.360 1.253 1.00 52.03 H new ATOM 0 HD12 ILE A 14 -7.497 8.605 2.254 1.00 52.03 H new ATOM 0 HD13 ILE A 14 -5.836 8.853 1.667 1.00 52.03 H new ATOM 225 N GLU A 15 -5.616 8.985 7.684 1.00 34.05 N ATOM 226 CA GLU A 15 -5.322 9.916 8.798 1.00 41.33 C ATOM 227 C GLU A 15 -4.418 9.265 9.852 1.00 72.40 C ATOM 228 O GLU A 15 -3.562 9.929 10.432 1.00 43.21 O ATOM 229 CB GLU A 15 -6.639 10.409 9.445 1.00 21.15 C ATOM 230 CG GLU A 15 -7.513 11.250 8.502 1.00 12.25 C ATOM 231 CD GLU A 15 -8.843 11.693 9.126 1.00 50.25 C ATOM 232 OE1 GLU A 15 -8.925 12.832 9.642 1.00 0.31 O ATOM 233 OE2 GLU A 15 -9.812 10.906 9.109 1.00 63.21 O ATOM 0 H GLU A 15 -6.597 8.710 7.628 1.00 34.05 H new ATOM 0 HA GLU A 15 -4.786 10.772 8.387 1.00 41.33 H new ATOM 0 HB2 GLU A 15 -7.212 9.546 9.784 1.00 21.15 H new ATOM 0 HB3 GLU A 15 -6.400 11.001 10.329 1.00 21.15 H new ATOM 0 HG2 GLU A 15 -6.954 12.134 8.194 1.00 12.25 H new ATOM 0 HG3 GLU A 15 -7.719 10.673 7.600 1.00 12.25 H new ATOM 240 N GLU A 16 -4.626 7.963 10.086 1.00 15.51 N ATOM 241 CA GLU A 16 -3.819 7.177 11.037 1.00 61.33 C ATOM 242 C GLU A 16 -2.401 6.949 10.513 1.00 53.24 C ATOM 243 O GLU A 16 -1.445 6.998 11.285 1.00 65.54 O ATOM 244 CB GLU A 16 -4.502 5.823 11.323 1.00 34.11 C ATOM 245 CG GLU A 16 -5.804 5.937 12.122 1.00 11.20 C ATOM 246 CD GLU A 16 -5.620 6.565 13.508 1.00 14.53 C ATOM 247 OE1 GLU A 16 -4.980 5.929 14.371 1.00 24.30 O ATOM 248 OE2 GLU A 16 -6.119 7.679 13.751 1.00 61.30 O ATOM 0 H GLU A 16 -5.357 7.422 9.624 1.00 15.51 H new ATOM 0 HA GLU A 16 -3.747 7.747 11.964 1.00 61.33 H new ATOM 0 HB2 GLU A 16 -4.712 5.327 10.376 1.00 34.11 H new ATOM 0 HB3 GLU A 16 -3.807 5.186 11.870 1.00 34.11 H new ATOM 0 HG2 GLU A 16 -6.518 6.533 11.554 1.00 11.20 H new ATOM 0 HG3 GLU A 16 -6.238 4.944 12.237 1.00 11.20 H new ATOM 255 N VAL A 17 -2.279 6.670 9.204 1.00 4.01 N ATOM 256 CA VAL A 17 -0.970 6.485 8.549 1.00 52.44 C ATOM 257 C VAL A 17 -0.197 7.817 8.488 1.00 21.23 C ATOM 258 O VAL A 17 1.011 7.843 8.720 1.00 33.41 O ATOM 259 CB VAL A 17 -1.132 5.861 7.113 1.00 22.50 C ATOM 260 CG1 VAL A 17 0.211 5.809 6.334 1.00 13.05 C ATOM 261 CG2 VAL A 17 -1.777 4.455 7.204 1.00 23.33 C ATOM 0 H VAL A 17 -3.075 6.567 8.575 1.00 4.01 H new ATOM 0 HA VAL A 17 -0.392 5.783 9.150 1.00 52.44 H new ATOM 0 HB VAL A 17 -1.795 6.516 6.548 1.00 22.50 H new ATOM 0 HG11 VAL A 17 0.044 5.370 5.350 1.00 13.05 H new ATOM 0 HG12 VAL A 17 0.604 6.819 6.219 1.00 13.05 H new ATOM 0 HG13 VAL A 17 0.928 5.201 6.885 1.00 13.05 H new ATOM 0 HG21 VAL A 17 -1.882 4.037 6.203 1.00 23.33 H new ATOM 0 HG22 VAL A 17 -1.144 3.802 7.805 1.00 23.33 H new ATOM 0 HG23 VAL A 17 -2.760 4.535 7.669 1.00 23.33 H new ATOM 271 N SER A 18 -0.913 8.911 8.190 1.00 72.04 N ATOM 272 CA SER A 18 -0.327 10.266 8.111 1.00 45.44 C ATOM 273 C SER A 18 0.093 10.765 9.508 1.00 2.44 C ATOM 274 O SER A 18 1.087 11.476 9.638 1.00 13.10 O ATOM 275 CB SER A 18 -1.334 11.256 7.465 1.00 74.41 C ATOM 276 OG SER A 18 -0.759 12.541 7.252 1.00 20.45 O ATOM 0 H SER A 18 -1.914 8.886 7.996 1.00 72.04 H new ATOM 0 HA SER A 18 0.563 10.215 7.484 1.00 45.44 H new ATOM 0 HB2 SER A 18 -1.680 10.852 6.514 1.00 74.41 H new ATOM 0 HB3 SER A 18 -2.209 11.353 8.107 1.00 74.41 H new ATOM 0 HG SER A 18 -1.424 13.133 6.843 1.00 20.45 H new ATOM 282 N LYS A 19 -0.681 10.385 10.543 1.00 1.31 N ATOM 283 CA LYS A 19 -0.386 10.745 11.953 1.00 74.13 C ATOM 284 C LYS A 19 0.814 9.927 12.469 1.00 50.23 C ATOM 285 O LYS A 19 1.705 10.475 13.117 1.00 62.34 O ATOM 286 CB LYS A 19 -1.657 10.561 12.845 1.00 60.25 C ATOM 287 CG LYS A 19 -1.456 10.649 14.386 1.00 41.14 C ATOM 288 CD LYS A 19 -0.707 11.911 14.874 1.00 54.13 C ATOM 289 CE LYS A 19 -1.416 13.227 14.558 1.00 62.42 C ATOM 290 NZ LYS A 19 -0.575 14.390 14.934 1.00 33.23 N ATOM 0 H LYS A 19 -1.525 9.823 10.432 1.00 1.31 H new ATOM 0 HA LYS A 19 -0.111 11.798 12.005 1.00 74.13 H new ATOM 0 HB2 LYS A 19 -2.387 11.316 12.555 1.00 60.25 H new ATOM 0 HB3 LYS A 19 -2.095 9.590 12.615 1.00 60.25 H new ATOM 0 HG2 LYS A 19 -2.433 10.615 14.868 1.00 41.14 H new ATOM 0 HG3 LYS A 19 -0.907 9.768 14.717 1.00 41.14 H new ATOM 0 HD2 LYS A 19 -0.563 11.839 15.952 1.00 54.13 H new ATOM 0 HD3 LYS A 19 0.284 11.928 14.421 1.00 54.13 H new ATOM 0 HE2 LYS A 19 -1.649 13.272 13.494 1.00 62.42 H new ATOM 0 HE3 LYS A 19 -2.364 13.271 15.094 1.00 62.42 H new ATOM 0 HZ1 LYS A 19 -1.108 15.011 15.576 1.00 33.23 H new ATOM 0 HZ2 LYS A 19 0.286 14.056 15.412 1.00 33.23 H new ATOM 0 HZ3 LYS A 19 -0.313 14.920 14.078 1.00 33.23 H new ATOM 304 N LYS A 20 0.817 8.621 12.159 1.00 13.10 N ATOM 305 CA LYS A 20 1.939 7.704 12.473 1.00 72.45 C ATOM 306 C LYS A 20 3.244 8.256 11.888 1.00 12.34 C ATOM 307 O LYS A 20 4.231 8.443 12.594 1.00 4.44 O ATOM 308 CB LYS A 20 1.647 6.294 11.881 1.00 1.41 C ATOM 309 CG LYS A 20 2.738 5.198 12.073 1.00 54.52 C ATOM 310 CD LYS A 20 2.717 4.472 13.448 1.00 11.43 C ATOM 311 CE LYS A 20 3.264 5.301 14.619 1.00 73.33 C ATOM 312 NZ LYS A 20 3.441 4.469 15.842 1.00 2.13 N ATOM 0 H LYS A 20 0.041 8.163 11.681 1.00 13.10 H new ATOM 0 HA LYS A 20 2.042 7.623 13.555 1.00 72.45 H new ATOM 0 HB2 LYS A 20 0.720 5.928 12.323 1.00 1.41 H new ATOM 0 HB3 LYS A 20 1.468 6.408 10.812 1.00 1.41 H new ATOM 0 HG2 LYS A 20 2.623 4.453 11.286 1.00 54.52 H new ATOM 0 HG3 LYS A 20 3.718 5.656 11.938 1.00 54.52 H new ATOM 0 HD2 LYS A 20 1.691 4.181 13.674 1.00 11.43 H new ATOM 0 HD3 LYS A 20 3.299 3.554 13.368 1.00 11.43 H new ATOM 0 HE2 LYS A 20 4.219 5.744 14.338 1.00 73.33 H new ATOM 0 HE3 LYS A 20 2.582 6.124 14.833 1.00 73.33 H new ATOM 0 HZ1 LYS A 20 3.546 5.088 16.671 1.00 2.13 H new ATOM 0 HZ2 LYS A 20 2.609 3.858 15.970 1.00 2.13 H new ATOM 0 HZ3 LYS A 20 4.291 3.879 15.740 1.00 2.13 H new ATOM 326 N ALA A 21 3.188 8.568 10.586 1.00 71.11 N ATOM 327 CA ALA A 21 4.335 9.059 9.818 1.00 31.34 C ATOM 328 C ALA A 21 4.807 10.427 10.335 1.00 2.10 C ATOM 329 O ALA A 21 6.002 10.700 10.363 1.00 22.35 O ATOM 330 CB ALA A 21 3.957 9.147 8.338 1.00 40.42 C ATOM 0 H ALA A 21 2.335 8.485 10.033 1.00 71.11 H new ATOM 0 HA ALA A 21 5.161 8.359 9.940 1.00 31.34 H new ATOM 0 HB1 ALA A 21 4.810 9.512 7.766 1.00 40.42 H new ATOM 0 HB2 ALA A 21 3.673 8.159 7.976 1.00 40.42 H new ATOM 0 HB3 ALA A 21 3.118 9.833 8.217 1.00 40.42 H new ATOM 336 N GLU A 22 3.843 11.272 10.740 1.00 14.24 N ATOM 337 CA GLU A 22 4.112 12.628 11.240 1.00 30.20 C ATOM 338 C GLU A 22 4.943 12.589 12.541 1.00 53.23 C ATOM 339 O GLU A 22 6.007 13.222 12.631 1.00 31.31 O ATOM 340 CB GLU A 22 2.782 13.398 11.443 1.00 51.41 C ATOM 341 CG GLU A 22 2.956 14.837 11.940 1.00 12.24 C ATOM 342 CD GLU A 22 1.675 15.677 11.868 1.00 5.00 C ATOM 343 OE1 GLU A 22 0.786 15.512 12.728 1.00 24.22 O ATOM 344 OE2 GLU A 22 1.545 16.511 10.945 1.00 61.13 O ATOM 0 H GLU A 22 2.852 11.031 10.729 1.00 14.24 H new ATOM 0 HA GLU A 22 4.704 13.159 10.494 1.00 30.20 H new ATOM 0 HB2 GLU A 22 2.238 13.415 10.499 1.00 51.41 H new ATOM 0 HB3 GLU A 22 2.165 12.852 12.156 1.00 51.41 H new ATOM 0 HG2 GLU A 22 3.307 14.815 12.972 1.00 12.24 H new ATOM 0 HG3 GLU A 22 3.732 15.324 11.349 1.00 12.24 H new ATOM 351 N GLU A 23 4.454 11.818 13.533 1.00 44.22 N ATOM 352 CA GLU A 23 5.121 11.678 14.844 1.00 32.44 C ATOM 353 C GLU A 23 6.504 11.006 14.699 1.00 51.42 C ATOM 354 O GLU A 23 7.445 11.367 15.415 1.00 51.44 O ATOM 355 CB GLU A 23 4.234 10.885 15.854 1.00 43.32 C ATOM 356 CG GLU A 23 2.788 11.412 16.018 1.00 23.32 C ATOM 357 CD GLU A 23 2.698 12.921 16.307 1.00 4.33 C ATOM 358 OE1 GLU A 23 3.074 13.345 17.424 1.00 42.13 O ATOM 359 OE2 GLU A 23 2.243 13.695 15.430 1.00 12.24 O ATOM 0 H GLU A 23 3.592 11.279 13.450 1.00 44.22 H new ATOM 0 HA GLU A 23 5.268 12.683 15.240 1.00 32.44 H new ATOM 0 HB2 GLU A 23 4.190 9.844 15.534 1.00 43.32 H new ATOM 0 HB3 GLU A 23 4.721 10.899 16.829 1.00 43.32 H new ATOM 0 HG2 GLU A 23 2.228 11.193 15.109 1.00 23.32 H new ATOM 0 HG3 GLU A 23 2.304 10.868 16.829 1.00 23.32 H new ATOM 366 N GLU A 24 6.622 10.037 13.759 1.00 33.31 N ATOM 367 CA GLU A 24 7.892 9.297 13.527 1.00 70.30 C ATOM 368 C GLU A 24 8.857 10.069 12.598 1.00 5.22 C ATOM 369 O GLU A 24 10.041 9.722 12.518 1.00 40.50 O ATOM 370 CB GLU A 24 7.626 7.878 12.955 1.00 63.45 C ATOM 371 CG GLU A 24 6.701 6.984 13.810 1.00 31.32 C ATOM 372 CD GLU A 24 7.165 6.826 15.265 1.00 3.42 C ATOM 373 OE1 GLU A 24 6.582 7.461 16.176 1.00 23.54 O ATOM 374 OE2 GLU A 24 8.120 6.061 15.514 1.00 54.43 O ATOM 0 H GLU A 24 5.857 9.748 13.149 1.00 33.31 H new ATOM 0 HA GLU A 24 8.372 9.198 14.501 1.00 70.30 H new ATOM 0 HB2 GLU A 24 7.188 7.981 11.962 1.00 63.45 H new ATOM 0 HB3 GLU A 24 8.582 7.369 12.831 1.00 63.45 H new ATOM 0 HG2 GLU A 24 5.696 7.405 13.803 1.00 31.32 H new ATOM 0 HG3 GLU A 24 6.637 5.998 13.350 1.00 31.32 H new ATOM 381 N GLY A 25 8.347 11.102 11.898 1.00 52.31 N ATOM 382 CA GLY A 25 9.169 11.943 11.014 1.00 33.34 C ATOM 383 C GLY A 25 9.327 11.383 9.597 1.00 52.23 C ATOM 384 O GLY A 25 10.178 11.859 8.838 1.00 63.53 O ATOM 0 H GLY A 25 7.364 11.372 11.930 1.00 52.31 H new ATOM 0 HA2 GLY A 25 8.723 12.936 10.954 1.00 33.34 H new ATOM 0 HA3 GLY A 25 10.157 12.064 11.459 1.00 33.34 H new ATOM 388 N TYR A 26 8.511 10.374 9.245 1.00 73.03 N ATOM 389 CA TYR A 26 8.458 9.820 7.880 1.00 40.50 C ATOM 390 C TYR A 26 7.619 10.730 6.963 1.00 44.15 C ATOM 391 O TYR A 26 6.455 11.028 7.261 1.00 31.04 O ATOM 392 CB TYR A 26 7.851 8.394 7.875 1.00 30.24 C ATOM 393 CG TYR A 26 8.680 7.321 8.615 1.00 50.51 C ATOM 394 CD1 TYR A 26 9.974 6.995 8.197 1.00 50.41 C ATOM 395 CD2 TYR A 26 8.152 6.604 9.695 1.00 3.23 C ATOM 396 CE1 TYR A 26 10.707 6.006 8.830 1.00 3.34 C ATOM 397 CE2 TYR A 26 8.889 5.618 10.333 1.00 20.53 C ATOM 398 CZ TYR A 26 10.162 5.323 9.893 1.00 12.23 C ATOM 399 OH TYR A 26 10.894 4.336 10.513 1.00 42.43 O ATOM 0 H TYR A 26 7.871 9.920 9.897 1.00 73.03 H new ATOM 0 HA TYR A 26 9.481 9.767 7.508 1.00 40.50 H new ATOM 0 HB2 TYR A 26 6.859 8.438 8.325 1.00 30.24 H new ATOM 0 HB3 TYR A 26 7.718 8.077 6.841 1.00 30.24 H new ATOM 0 HD1 TYR A 26 10.410 7.526 7.364 1.00 50.41 H new ATOM 0 HD2 TYR A 26 7.152 6.823 10.038 1.00 3.23 H new ATOM 0 HE1 TYR A 26 11.705 5.771 8.490 1.00 3.34 H new ATOM 0 HE2 TYR A 26 8.468 5.083 11.171 1.00 20.53 H new ATOM 0 HH TYR A 26 10.888 4.484 11.482 1.00 42.43 H new ATOM 409 N ASP A 27 8.235 11.194 5.873 1.00 74.11 N ATOM 410 CA ASP A 27 7.540 11.903 4.789 1.00 62.23 C ATOM 411 C ASP A 27 6.918 10.868 3.837 1.00 74.20 C ATOM 412 O ASP A 27 7.635 10.177 3.107 1.00 14.13 O ATOM 413 CB ASP A 27 8.524 12.824 4.014 1.00 72.14 C ATOM 414 CG ASP A 27 9.168 13.902 4.897 1.00 70.53 C ATOM 415 OD1 ASP A 27 8.695 15.060 4.901 1.00 4.23 O ATOM 416 OD2 ASP A 27 10.142 13.591 5.612 1.00 52.51 O ATOM 0 H ASP A 27 9.237 11.089 5.714 1.00 74.11 H new ATOM 0 HA ASP A 27 6.757 12.532 5.213 1.00 62.23 H new ATOM 0 HB2 ASP A 27 9.309 12.213 3.568 1.00 72.14 H new ATOM 0 HB3 ASP A 27 7.991 13.306 3.194 1.00 72.14 H new ATOM 421 N ILE A 28 5.588 10.725 3.897 1.00 13.24 N ATOM 422 CA ILE A 28 4.824 9.813 3.032 1.00 53.34 C ATOM 423 C ILE A 28 3.809 10.640 2.242 1.00 62.31 C ATOM 424 O ILE A 28 3.091 11.459 2.826 1.00 53.43 O ATOM 425 CB ILE A 28 4.041 8.721 3.853 1.00 60.45 C ATOM 426 CG1 ILE A 28 4.999 7.918 4.789 1.00 45.25 C ATOM 427 CG2 ILE A 28 3.255 7.770 2.905 1.00 43.01 C ATOM 428 CD1 ILE A 28 4.312 6.832 5.586 1.00 24.11 C ATOM 0 H ILE A 28 5.005 11.244 4.554 1.00 13.24 H new ATOM 0 HA ILE A 28 5.530 9.299 2.380 1.00 53.34 H new ATOM 0 HB ILE A 28 3.319 9.236 4.487 1.00 60.45 H new ATOM 0 HG12 ILE A 28 5.787 7.468 4.185 1.00 45.25 H new ATOM 0 HG13 ILE A 28 5.482 8.611 5.479 1.00 45.25 H new ATOM 0 HG21 ILE A 28 2.723 7.025 3.496 1.00 43.01 H new ATOM 0 HG22 ILE A 28 2.539 8.349 2.321 1.00 43.01 H new ATOM 0 HG23 ILE A 28 3.952 7.269 2.233 1.00 43.01 H new ATOM 0 HD11 ILE A 28 5.044 6.321 6.211 1.00 24.11 H new ATOM 0 HD12 ILE A 28 3.543 7.276 6.218 1.00 24.11 H new ATOM 0 HD13 ILE A 28 3.853 6.116 4.905 1.00 24.11 H new ATOM 440 N GLN A 29 3.748 10.422 0.929 1.00 52.43 N ATOM 441 CA GLN A 29 2.739 11.045 0.078 1.00 15.01 C ATOM 442 C GLN A 29 1.473 10.171 0.098 1.00 51.30 C ATOM 443 O GLN A 29 1.480 9.070 -0.437 1.00 64.24 O ATOM 444 CB GLN A 29 3.315 11.183 -1.355 1.00 54.40 C ATOM 445 CG GLN A 29 2.429 11.936 -2.356 1.00 72.21 C ATOM 446 CD GLN A 29 2.148 13.379 -1.934 1.00 42.01 C ATOM 447 OE1 GLN A 29 2.919 14.286 -2.241 1.00 13.30 O ATOM 448 NE2 GLN A 29 1.032 13.605 -1.250 1.00 4.55 N ATOM 0 H GLN A 29 4.394 9.811 0.429 1.00 52.43 H new ATOM 0 HA GLN A 29 2.476 12.039 0.438 1.00 15.01 H new ATOM 0 HB2 GLN A 29 4.277 11.693 -1.293 1.00 54.40 H new ATOM 0 HB3 GLN A 29 3.508 10.185 -1.747 1.00 54.40 H new ATOM 0 HG2 GLN A 29 2.912 11.936 -3.333 1.00 72.21 H new ATOM 0 HG3 GLN A 29 1.484 11.405 -2.468 1.00 72.21 H new ATOM 0 HE21 GLN A 29 0.414 12.829 -1.012 1.00 4.55 H new ATOM 0 HE22 GLN A 29 0.793 14.554 -0.963 1.00 4.55 H new ATOM 457 N THR A 30 0.403 10.651 0.745 1.00 44.40 N ATOM 458 CA THR A 30 -0.861 9.896 0.862 1.00 32.23 C ATOM 459 C THR A 30 -1.864 10.377 -0.213 1.00 23.41 C ATOM 460 O THR A 30 -1.855 11.557 -0.593 1.00 62.03 O ATOM 461 CB THR A 30 -1.470 10.032 2.302 1.00 13.32 C ATOM 462 OG1 THR A 30 -1.499 11.408 2.703 1.00 62.14 O ATOM 463 CG2 THR A 30 -0.694 9.212 3.354 1.00 71.33 C ATOM 0 H THR A 30 0.384 11.564 1.199 1.00 44.40 H new ATOM 0 HA THR A 30 -0.651 8.839 0.695 1.00 32.23 H new ATOM 0 HB THR A 30 -2.483 9.634 2.251 1.00 13.32 H new ATOM 0 HG1 THR A 30 -1.883 11.479 3.602 1.00 62.14 H new ATOM 0 HG21 THR A 30 -1.158 9.342 4.332 1.00 71.33 H new ATOM 0 HG22 THR A 30 -0.714 8.157 3.080 1.00 71.33 H new ATOM 0 HG23 THR A 30 0.339 9.557 3.394 1.00 71.33 H new ATOM 471 N SER A 31 -2.706 9.443 -0.716 1.00 31.42 N ATOM 472 CA SER A 31 -3.680 9.722 -1.798 1.00 12.05 C ATOM 473 C SER A 31 -4.971 8.905 -1.609 1.00 1.23 C ATOM 474 O SER A 31 -4.944 7.809 -1.032 1.00 74.35 O ATOM 475 CB SER A 31 -3.050 9.400 -3.174 1.00 54.11 C ATOM 476 OG SER A 31 -3.949 9.658 -4.256 1.00 2.30 O ATOM 0 H SER A 31 -2.729 8.479 -0.385 1.00 31.42 H new ATOM 0 HA SER A 31 -3.938 10.780 -1.756 1.00 12.05 H new ATOM 0 HB2 SER A 31 -2.146 9.995 -3.306 1.00 54.11 H new ATOM 0 HB3 SER A 31 -2.748 8.353 -3.197 1.00 54.11 H new ATOM 0 HG SER A 31 -3.482 10.159 -4.957 1.00 2.30 H new ATOM 482 N ASN A 32 -6.099 9.461 -2.105 1.00 42.33 N ATOM 483 CA ASN A 32 -7.423 8.794 -2.073 1.00 63.54 C ATOM 484 C ASN A 32 -7.733 8.110 -3.408 1.00 40.34 C ATOM 485 O ASN A 32 -8.473 7.119 -3.441 1.00 20.30 O ATOM 486 CB ASN A 32 -8.541 9.816 -1.744 1.00 64.01 C ATOM 487 CG ASN A 32 -8.438 10.363 -0.322 1.00 54.11 C ATOM 488 OD1 ASN A 32 -7.804 11.385 -0.079 1.00 11.11 O ATOM 489 ND2 ASN A 32 -9.055 9.674 0.629 1.00 5.11 N ATOM 0 H ASN A 32 -6.119 10.384 -2.539 1.00 42.33 H new ATOM 0 HA ASN A 32 -7.388 8.034 -1.292 1.00 63.54 H new ATOM 0 HB2 ASN A 32 -8.491 10.643 -2.452 1.00 64.01 H new ATOM 0 HB3 ASN A 32 -9.513 9.341 -1.877 1.00 64.01 H new ATOM 0 HD21 ASN A 32 -9.011 9.990 1.598 1.00 5.11 H new ATOM 0 HD22 ASN A 32 -9.573 8.828 0.391 1.00 5.11 H new ATOM 496 N ASP A 33 -7.178 8.650 -4.509 1.00 53.45 N ATOM 497 CA ASP A 33 -7.476 8.173 -5.877 1.00 72.44 C ATOM 498 C ASP A 33 -6.350 7.255 -6.392 1.00 54.44 C ATOM 499 O ASP A 33 -5.199 7.692 -6.549 1.00 73.15 O ATOM 500 CB ASP A 33 -7.696 9.375 -6.833 1.00 20.40 C ATOM 501 CG ASP A 33 -8.087 8.946 -8.261 1.00 1.23 C ATOM 502 OD1 ASP A 33 -9.205 8.424 -8.450 1.00 33.23 O ATOM 503 OD2 ASP A 33 -7.288 9.122 -9.195 1.00 43.22 O ATOM 0 H ASP A 33 -6.515 9.424 -4.479 1.00 53.45 H new ATOM 0 HA ASP A 33 -8.396 7.589 -5.847 1.00 72.44 H new ATOM 0 HB2 ASP A 33 -8.477 10.017 -6.426 1.00 20.40 H new ATOM 0 HB3 ASP A 33 -6.784 9.970 -6.875 1.00 20.40 H new ATOM 508 N LYS A 34 -6.702 5.974 -6.635 1.00 22.20 N ATOM 509 CA LYS A 34 -5.766 4.943 -7.123 1.00 44.21 C ATOM 510 C LYS A 34 -5.317 5.214 -8.564 1.00 43.15 C ATOM 511 O LYS A 34 -4.214 4.849 -8.931 1.00 21.51 O ATOM 512 CB LYS A 34 -6.422 3.532 -7.021 1.00 64.53 C ATOM 513 CG LYS A 34 -7.553 3.272 -8.045 1.00 62.21 C ATOM 514 CD LYS A 34 -8.445 2.046 -7.738 1.00 43.21 C ATOM 515 CE LYS A 34 -9.327 2.198 -6.471 1.00 35.12 C ATOM 516 NZ LYS A 34 -8.584 1.962 -5.203 1.00 25.12 N ATOM 0 H LYS A 34 -7.651 5.626 -6.496 1.00 22.20 H new ATOM 0 HA LYS A 34 -4.879 4.977 -6.490 1.00 44.21 H new ATOM 0 HB2 LYS A 34 -5.648 2.776 -7.154 1.00 64.53 H new ATOM 0 HB3 LYS A 34 -6.823 3.404 -6.016 1.00 64.53 H new ATOM 0 HG2 LYS A 34 -8.185 4.158 -8.098 1.00 62.21 H new ATOM 0 HG3 LYS A 34 -7.107 3.140 -9.031 1.00 62.21 H new ATOM 0 HD2 LYS A 34 -9.091 1.858 -8.595 1.00 43.21 H new ATOM 0 HD3 LYS A 34 -7.809 1.169 -7.620 1.00 43.21 H new ATOM 0 HE2 LYS A 34 -9.754 3.201 -6.452 1.00 35.12 H new ATOM 0 HE3 LYS A 34 -10.160 1.498 -6.531 1.00 35.12 H new ATOM 0 HZ1 LYS A 34 -9.127 1.314 -4.598 1.00 25.12 H new ATOM 0 HZ2 LYS A 34 -7.657 1.541 -5.417 1.00 25.12 H new ATOM 0 HZ3 LYS A 34 -8.447 2.866 -4.707 1.00 25.12 H new ATOM 530 N LYS A 35 -6.182 5.868 -9.356 1.00 1.21 N ATOM 531 CA LYS A 35 -5.970 6.070 -10.811 1.00 22.33 C ATOM 532 C LYS A 35 -4.801 7.020 -11.076 1.00 31.34 C ATOM 533 O LYS A 35 -4.031 6.841 -12.034 1.00 3.44 O ATOM 534 CB LYS A 35 -7.262 6.619 -11.459 1.00 10.11 C ATOM 535 CG LYS A 35 -8.496 5.715 -11.284 1.00 71.10 C ATOM 536 CD LYS A 35 -8.316 4.309 -11.897 1.00 42.13 C ATOM 537 CE LYS A 35 -8.044 4.337 -13.411 1.00 40.43 C ATOM 538 NZ LYS A 35 -7.992 2.969 -13.987 1.00 23.24 N ATOM 0 H LYS A 35 -7.052 6.275 -9.011 1.00 1.21 H new ATOM 0 HA LYS A 35 -5.724 5.106 -11.256 1.00 22.33 H new ATOM 0 HB2 LYS A 35 -7.480 7.598 -11.032 1.00 10.11 H new ATOM 0 HB3 LYS A 35 -7.084 6.768 -12.524 1.00 10.11 H new ATOM 0 HG2 LYS A 35 -8.716 5.615 -10.221 1.00 71.10 H new ATOM 0 HG3 LYS A 35 -9.359 6.197 -11.744 1.00 71.10 H new ATOM 0 HD2 LYS A 35 -7.490 3.804 -11.396 1.00 42.13 H new ATOM 0 HD3 LYS A 35 -9.213 3.719 -11.707 1.00 42.13 H new ATOM 0 HE2 LYS A 35 -8.824 4.912 -13.910 1.00 40.43 H new ATOM 0 HE3 LYS A 35 -7.100 4.848 -13.601 1.00 40.43 H new ATOM 0 HZ1 LYS A 35 -7.807 3.029 -15.009 1.00 23.24 H new ATOM 0 HZ2 LYS A 35 -7.231 2.428 -13.529 1.00 23.24 H new ATOM 0 HZ3 LYS A 35 -8.901 2.490 -13.828 1.00 23.24 H new ATOM 552 N GLU A 36 -4.708 8.027 -10.207 1.00 54.14 N ATOM 553 CA GLU A 36 -3.596 8.970 -10.149 1.00 15.02 C ATOM 554 C GLU A 36 -2.285 8.206 -9.891 1.00 34.24 C ATOM 555 O GLU A 36 -1.282 8.409 -10.569 1.00 51.11 O ATOM 556 CB GLU A 36 -3.859 9.971 -8.996 1.00 33.12 C ATOM 557 CG GLU A 36 -2.727 10.973 -8.746 1.00 71.02 C ATOM 558 CD GLU A 36 -2.903 11.713 -7.423 1.00 23.15 C ATOM 559 OE1 GLU A 36 -3.536 12.792 -7.402 1.00 43.31 O ATOM 560 OE2 GLU A 36 -2.432 11.205 -6.383 1.00 62.23 O ATOM 0 H GLU A 36 -5.425 8.212 -9.506 1.00 54.14 H new ATOM 0 HA GLU A 36 -3.509 9.508 -11.093 1.00 15.02 H new ATOM 0 HB2 GLU A 36 -4.773 10.523 -9.214 1.00 33.12 H new ATOM 0 HB3 GLU A 36 -4.037 9.409 -8.079 1.00 33.12 H new ATOM 0 HG2 GLU A 36 -1.772 10.448 -8.744 1.00 71.02 H new ATOM 0 HG3 GLU A 36 -2.693 11.694 -9.563 1.00 71.02 H new ATOM 567 N ILE A 37 -2.354 7.300 -8.907 1.00 41.33 N ATOM 568 CA ILE A 37 -1.205 6.523 -8.413 1.00 63.21 C ATOM 569 C ILE A 37 -0.698 5.520 -9.468 1.00 45.41 C ATOM 570 O ILE A 37 0.511 5.356 -9.629 1.00 54.44 O ATOM 571 CB ILE A 37 -1.583 5.805 -7.067 1.00 41.32 C ATOM 572 CG1 ILE A 37 -1.918 6.866 -5.969 1.00 3.33 C ATOM 573 CG2 ILE A 37 -0.492 4.820 -6.589 1.00 35.54 C ATOM 574 CD1 ILE A 37 -0.803 7.874 -5.678 1.00 63.44 C ATOM 0 H ILE A 37 -3.224 7.081 -8.422 1.00 41.33 H new ATOM 0 HA ILE A 37 -0.383 7.212 -8.219 1.00 63.21 H new ATOM 0 HB ILE A 37 -2.471 5.201 -7.255 1.00 41.32 H new ATOM 0 HG12 ILE A 37 -2.810 7.413 -6.274 1.00 3.33 H new ATOM 0 HG13 ILE A 37 -2.165 6.344 -5.045 1.00 3.33 H new ATOM 0 HG21 ILE A 37 -0.807 4.353 -5.656 1.00 35.54 H new ATOM 0 HG22 ILE A 37 -0.340 4.051 -7.346 1.00 35.54 H new ATOM 0 HG23 ILE A 37 0.441 5.360 -6.428 1.00 35.54 H new ATOM 0 HD11 ILE A 37 -1.132 8.567 -4.903 1.00 63.44 H new ATOM 0 HD12 ILE A 37 0.087 7.344 -5.337 1.00 63.44 H new ATOM 0 HD13 ILE A 37 -0.569 8.430 -6.586 1.00 63.44 H new ATOM 586 N ILE A 38 -1.637 4.888 -10.190 1.00 4.54 N ATOM 587 CA ILE A 38 -1.350 3.961 -11.309 1.00 61.44 C ATOM 588 C ILE A 38 -0.550 4.700 -12.392 1.00 62.04 C ATOM 589 O ILE A 38 0.440 4.183 -12.925 1.00 31.52 O ATOM 590 CB ILE A 38 -2.709 3.389 -11.896 1.00 21.44 C ATOM 591 CG1 ILE A 38 -3.417 2.482 -10.837 1.00 63.51 C ATOM 592 CG2 ILE A 38 -2.526 2.629 -13.236 1.00 72.24 C ATOM 593 CD1 ILE A 38 -4.823 2.029 -11.197 1.00 35.04 C ATOM 0 H ILE A 38 -2.635 5.005 -10.014 1.00 4.54 H new ATOM 0 HA ILE A 38 -0.755 3.121 -10.950 1.00 61.44 H new ATOM 0 HB ILE A 38 -3.341 4.249 -12.118 1.00 21.44 H new ATOM 0 HG12 ILE A 38 -2.801 1.598 -10.671 1.00 63.51 H new ATOM 0 HG13 ILE A 38 -3.459 3.023 -9.892 1.00 63.51 H new ATOM 0 HG21 ILE A 38 -3.493 2.264 -13.582 1.00 72.24 H new ATOM 0 HG22 ILE A 38 -2.104 3.303 -13.982 1.00 72.24 H new ATOM 0 HG23 ILE A 38 -1.852 1.785 -13.087 1.00 72.24 H new ATOM 0 HD11 ILE A 38 -5.221 1.406 -10.396 1.00 35.04 H new ATOM 0 HD12 ILE A 38 -5.463 2.901 -11.331 1.00 35.04 H new ATOM 0 HD13 ILE A 38 -4.794 1.454 -12.123 1.00 35.04 H new ATOM 605 N ASP A 39 -0.982 5.944 -12.652 1.00 3.53 N ATOM 606 CA ASP A 39 -0.335 6.850 -13.607 1.00 34.44 C ATOM 607 C ASP A 39 1.088 7.222 -13.141 1.00 14.14 C ATOM 608 O ASP A 39 2.010 7.252 -13.948 1.00 14.52 O ATOM 609 CB ASP A 39 -1.216 8.114 -13.799 1.00 3.41 C ATOM 610 CG ASP A 39 -0.594 9.184 -14.718 1.00 22.20 C ATOM 611 OD1 ASP A 39 -0.322 10.307 -14.252 1.00 23.34 O ATOM 612 OD2 ASP A 39 -0.369 8.904 -15.913 1.00 71.34 O ATOM 0 H ASP A 39 -1.800 6.351 -12.199 1.00 3.53 H new ATOM 0 HA ASP A 39 -0.235 6.344 -14.567 1.00 34.44 H new ATOM 0 HB2 ASP A 39 -2.179 7.813 -14.211 1.00 3.41 H new ATOM 0 HB3 ASP A 39 -1.412 8.558 -12.823 1.00 3.41 H new ATOM 617 N ARG A 40 1.264 7.472 -11.828 1.00 35.21 N ATOM 618 CA ARG A 40 2.585 7.850 -11.257 1.00 13.44 C ATOM 619 C ARG A 40 3.564 6.659 -11.257 1.00 12.55 C ATOM 620 O ARG A 40 4.778 6.847 -11.357 1.00 44.11 O ATOM 621 CB ARG A 40 2.429 8.428 -9.825 1.00 44.41 C ATOM 622 CG ARG A 40 1.485 9.646 -9.736 1.00 52.42 C ATOM 623 CD ARG A 40 1.481 10.322 -8.354 1.00 4.44 C ATOM 624 NE ARG A 40 2.770 10.982 -8.075 1.00 72.41 N ATOM 625 CZ ARG A 40 3.075 11.666 -6.958 1.00 61.31 C ATOM 626 NH1 ARG A 40 2.200 11.792 -5.963 1.00 73.33 N ATOM 627 NH2 ARG A 40 4.259 12.250 -6.864 1.00 73.33 N ATOM 0 H ARG A 40 0.513 7.421 -11.139 1.00 35.21 H new ATOM 0 HA ARG A 40 3.004 8.627 -11.897 1.00 13.44 H new ATOM 0 HB2 ARG A 40 2.055 7.644 -9.167 1.00 44.41 H new ATOM 0 HB3 ARG A 40 3.412 8.716 -9.452 1.00 44.41 H new ATOM 0 HG2 ARG A 40 1.778 10.378 -10.489 1.00 52.42 H new ATOM 0 HG3 ARG A 40 0.471 9.328 -9.979 1.00 52.42 H new ATOM 0 HD2 ARG A 40 0.677 11.057 -8.309 1.00 4.44 H new ATOM 0 HD3 ARG A 40 1.277 9.578 -7.584 1.00 4.44 H new ATOM 0 HE ARG A 40 3.493 10.914 -8.791 1.00 72.41 H new ATOM 0 HH11 ARG A 40 1.277 11.365 -6.039 1.00 73.33 H new ATOM 0 HH12 ARG A 40 2.453 12.315 -5.125 1.00 73.33 H new ATOM 0 HH21 ARG A 40 4.926 12.178 -7.633 1.00 73.33 H new ATOM 0 HH22 ARG A 40 4.505 12.772 -6.023 1.00 73.33 H new ATOM 641 N LEU A 41 3.016 5.440 -11.136 1.00 71.02 N ATOM 642 CA LEU A 41 3.787 4.185 -11.228 1.00 64.40 C ATOM 643 C LEU A 41 4.283 3.959 -12.676 1.00 63.34 C ATOM 644 O LEU A 41 5.378 3.425 -12.884 1.00 54.44 O ATOM 645 CB LEU A 41 2.927 2.992 -10.727 1.00 74.43 C ATOM 646 CG LEU A 41 2.609 2.964 -9.190 1.00 51.12 C ATOM 647 CD1 LEU A 41 1.514 1.921 -8.844 1.00 64.21 C ATOM 648 CD2 LEU A 41 3.897 2.721 -8.368 1.00 61.44 C ATOM 0 H LEU A 41 2.020 5.294 -10.971 1.00 71.02 H new ATOM 0 HA LEU A 41 4.666 4.259 -10.587 1.00 64.40 H new ATOM 0 HB2 LEU A 41 1.983 2.997 -11.272 1.00 74.43 H new ATOM 0 HB3 LEU A 41 3.440 2.066 -10.988 1.00 74.43 H new ATOM 0 HG LEU A 41 2.212 3.942 -8.919 1.00 51.12 H new ATOM 0 HD11 LEU A 41 1.325 1.935 -7.771 1.00 64.21 H new ATOM 0 HD12 LEU A 41 0.596 2.167 -9.378 1.00 64.21 H new ATOM 0 HD13 LEU A 41 1.851 0.928 -9.140 1.00 64.21 H new ATOM 0 HD21 LEU A 41 3.653 2.705 -7.306 1.00 61.44 H new ATOM 0 HD22 LEU A 41 4.336 1.765 -8.654 1.00 61.44 H new ATOM 0 HD23 LEU A 41 4.611 3.521 -8.565 1.00 61.44 H new ATOM 660 N LYS A 42 3.464 4.392 -13.667 1.00 53.23 N ATOM 661 CA LYS A 42 3.866 4.428 -15.101 1.00 10.40 C ATOM 662 C LYS A 42 5.046 5.397 -15.299 1.00 12.32 C ATOM 663 O LYS A 42 5.988 5.101 -16.041 1.00 60.21 O ATOM 664 CB LYS A 42 2.690 4.883 -16.007 1.00 32.21 C ATOM 665 CG LYS A 42 1.451 3.979 -15.969 1.00 20.31 C ATOM 666 CD LYS A 42 0.256 4.553 -16.767 1.00 11.23 C ATOM 667 CE LYS A 42 -1.010 3.692 -16.639 1.00 22.32 C ATOM 668 NZ LYS A 42 -2.136 4.237 -17.438 1.00 31.15 N ATOM 0 H LYS A 42 2.514 4.724 -13.500 1.00 53.23 H new ATOM 0 HA LYS A 42 4.160 3.417 -15.383 1.00 10.40 H new ATOM 0 HB2 LYS A 42 2.395 5.890 -15.714 1.00 32.21 H new ATOM 0 HB3 LYS A 42 3.046 4.942 -17.036 1.00 32.21 H new ATOM 0 HG2 LYS A 42 1.711 2.999 -16.370 1.00 20.31 H new ATOM 0 HG3 LYS A 42 1.150 3.829 -14.932 1.00 20.31 H new ATOM 0 HD2 LYS A 42 0.041 5.562 -16.416 1.00 11.23 H new ATOM 0 HD3 LYS A 42 0.531 4.633 -17.819 1.00 11.23 H new ATOM 0 HE2 LYS A 42 -0.792 2.675 -16.966 1.00 22.32 H new ATOM 0 HE3 LYS A 42 -1.304 3.633 -15.591 1.00 22.32 H new ATOM 0 HZ1 LYS A 42 -2.970 3.627 -17.324 1.00 31.15 H new ATOM 0 HZ2 LYS A 42 -2.362 5.197 -17.109 1.00 31.15 H new ATOM 0 HZ3 LYS A 42 -1.866 4.269 -18.442 1.00 31.15 H new ATOM 682 N ARG A 43 4.976 6.550 -14.597 1.00 50.55 N ATOM 683 CA ARG A 43 5.996 7.623 -14.674 1.00 32.04 C ATOM 684 C ARG A 43 7.255 7.270 -13.855 1.00 64.32 C ATOM 685 O ARG A 43 8.193 8.071 -13.814 1.00 44.41 O ATOM 686 CB ARG A 43 5.421 8.972 -14.159 1.00 42.02 C ATOM 687 CG ARG A 43 4.118 9.441 -14.834 1.00 74.12 C ATOM 688 CD ARG A 43 3.690 10.849 -14.386 1.00 15.13 C ATOM 689 NE ARG A 43 2.364 11.218 -14.916 1.00 52.43 N ATOM 690 CZ ARG A 43 1.984 12.442 -15.325 1.00 52.40 C ATOM 691 NH1 ARG A 43 2.831 13.466 -15.295 1.00 11.13 N ATOM 692 NH2 ARG A 43 0.744 12.636 -15.738 1.00 61.42 N ATOM 0 H ARG A 43 4.209 6.764 -13.959 1.00 50.55 H new ATOM 0 HA ARG A 43 6.274 7.720 -15.724 1.00 32.04 H new ATOM 0 HB2 ARG A 43 5.243 8.885 -13.087 1.00 42.02 H new ATOM 0 HB3 ARG A 43 6.178 9.745 -14.295 1.00 42.02 H new ATOM 0 HG2 ARG A 43 4.251 9.433 -15.916 1.00 74.12 H new ATOM 0 HG3 ARG A 43 3.321 8.734 -14.606 1.00 74.12 H new ATOM 0 HD2 ARG A 43 3.670 10.893 -13.297 1.00 15.13 H new ATOM 0 HD3 ARG A 43 4.430 11.576 -14.721 1.00 15.13 H new ATOM 0 HE ARG A 43 1.669 10.474 -14.978 1.00 52.43 H new ATOM 0 HH11 ARG A 43 3.784 13.330 -14.958 1.00 11.13 H new ATOM 0 HH12 ARG A 43 2.528 14.388 -15.609 1.00 11.13 H new ATOM 0 HH21 ARG A 43 0.082 11.860 -15.745 1.00 61.42 H new ATOM 0 HH22 ARG A 43 0.449 13.561 -16.049 1.00 61.42 H new ATOM 706 N ARG A 44 7.233 6.098 -13.164 1.00 24.43 N ATOM 707 CA ARG A 44 8.359 5.562 -12.366 1.00 74.11 C ATOM 708 C ARG A 44 8.615 6.417 -11.088 1.00 14.31 C ATOM 709 O ARG A 44 9.620 6.239 -10.394 1.00 42.03 O ATOM 710 CB ARG A 44 9.640 5.436 -13.264 1.00 54.10 C ATOM 711 CG ARG A 44 10.642 4.373 -12.803 1.00 1.01 C ATOM 712 CD ARG A 44 10.101 2.949 -12.971 1.00 61.44 C ATOM 713 NE ARG A 44 9.867 2.569 -14.382 1.00 31.24 N ATOM 714 CZ ARG A 44 8.674 2.289 -14.939 1.00 14.43 C ATOM 715 NH1 ARG A 44 7.554 2.362 -14.232 1.00 31.45 N ATOM 716 NH2 ARG A 44 8.612 1.891 -16.197 1.00 73.11 N ATOM 0 H ARG A 44 6.413 5.491 -13.149 1.00 24.43 H new ATOM 0 HA ARG A 44 8.095 4.564 -12.016 1.00 74.11 H new ATOM 0 HB2 ARG A 44 9.331 5.207 -14.284 1.00 54.10 H new ATOM 0 HB3 ARG A 44 10.143 6.402 -13.293 1.00 54.10 H new ATOM 0 HG2 ARG A 44 11.566 4.477 -13.372 1.00 1.01 H new ATOM 0 HG3 ARG A 44 10.892 4.543 -11.756 1.00 1.01 H new ATOM 0 HD2 ARG A 44 10.805 2.246 -12.526 1.00 61.44 H new ATOM 0 HD3 ARG A 44 9.166 2.856 -12.418 1.00 61.44 H new ATOM 0 HE ARG A 44 10.685 2.514 -14.988 1.00 31.24 H new ATOM 0 HH11 ARG A 44 7.588 2.634 -13.250 1.00 31.45 H new ATOM 0 HH12 ARG A 44 6.659 2.146 -14.671 1.00 31.45 H new ATOM 0 HH21 ARG A 44 9.467 1.796 -16.745 1.00 73.11 H new ATOM 0 HH22 ARG A 44 7.709 1.678 -16.621 1.00 73.11 H new ATOM 730 N ASN A 45 7.639 7.286 -10.758 1.00 54.54 N ATOM 731 CA ASN A 45 7.754 8.329 -9.705 1.00 73.25 C ATOM 732 C ASN A 45 7.853 7.744 -8.285 1.00 63.40 C ATOM 733 O ASN A 45 8.394 8.393 -7.380 1.00 43.34 O ATOM 734 CB ASN A 45 6.524 9.286 -9.797 1.00 14.34 C ATOM 735 CG ASN A 45 6.604 10.362 -10.889 1.00 20.31 C ATOM 736 OD1 ASN A 45 5.929 11.384 -10.797 1.00 2.11 O ATOM 737 ND2 ASN A 45 7.423 10.164 -11.918 1.00 45.12 N ATOM 0 H ASN A 45 6.730 7.287 -11.221 1.00 54.54 H new ATOM 0 HA ASN A 45 8.682 8.872 -9.885 1.00 73.25 H new ATOM 0 HB2 ASN A 45 5.630 8.686 -9.968 1.00 14.34 H new ATOM 0 HB3 ASN A 45 6.397 9.780 -8.834 1.00 14.34 H new ATOM 0 HD21 ASN A 45 7.500 10.869 -12.651 1.00 45.12 H new ATOM 0 HD22 ASN A 45 7.974 9.308 -11.974 1.00 45.12 H new ATOM 744 N ILE A 46 7.315 6.537 -8.090 1.00 42.30 N ATOM 745 CA ILE A 46 7.184 5.936 -6.753 1.00 13.51 C ATOM 746 C ILE A 46 8.193 4.790 -6.592 1.00 33.02 C ATOM 747 O ILE A 46 8.292 3.919 -7.470 1.00 5.11 O ATOM 748 CB ILE A 46 5.724 5.420 -6.516 1.00 33.12 C ATOM 749 CG1 ILE A 46 4.690 6.554 -6.852 1.00 72.24 C ATOM 750 CG2 ILE A 46 5.551 4.898 -5.065 1.00 23.15 C ATOM 751 CD1 ILE A 46 3.238 6.205 -6.609 1.00 44.30 C ATOM 0 H ILE A 46 6.960 5.950 -8.845 1.00 42.30 H new ATOM 0 HA ILE A 46 7.397 6.701 -6.006 1.00 13.51 H new ATOM 0 HB ILE A 46 5.533 4.581 -7.185 1.00 33.12 H new ATOM 0 HG12 ILE A 46 4.938 7.435 -6.260 1.00 72.24 H new ATOM 0 HG13 ILE A 46 4.809 6.831 -7.900 1.00 72.24 H new ATOM 0 HG21 ILE A 46 4.529 4.545 -4.925 1.00 23.15 H new ATOM 0 HG22 ILE A 46 6.246 4.077 -4.888 1.00 23.15 H new ATOM 0 HG23 ILE A 46 5.756 5.705 -4.361 1.00 23.15 H new ATOM 0 HD11 ILE A 46 2.610 7.056 -6.873 1.00 44.30 H new ATOM 0 HD12 ILE A 46 2.963 5.347 -7.222 1.00 44.30 H new ATOM 0 HD13 ILE A 46 3.094 5.960 -5.557 1.00 44.30 H new ATOM 763 N ASP A 47 8.942 4.801 -5.472 1.00 72.24 N ATOM 764 CA ASP A 47 9.991 3.798 -5.202 1.00 2.32 C ATOM 765 C ASP A 47 9.463 2.688 -4.288 1.00 64.03 C ATOM 766 O ASP A 47 9.805 1.518 -4.446 1.00 23.51 O ATOM 767 CB ASP A 47 11.216 4.485 -4.562 1.00 45.40 C ATOM 768 CG ASP A 47 12.308 3.490 -4.133 1.00 33.02 C ATOM 769 OD1 ASP A 47 12.426 3.200 -2.928 1.00 64.30 O ATOM 770 OD2 ASP A 47 13.056 2.991 -4.997 1.00 72.10 O ATOM 0 H ASP A 47 8.839 5.499 -4.735 1.00 72.24 H new ATOM 0 HA ASP A 47 10.289 3.342 -6.146 1.00 2.32 H new ATOM 0 HB2 ASP A 47 11.639 5.196 -5.272 1.00 45.40 H new ATOM 0 HB3 ASP A 47 10.892 5.057 -3.693 1.00 45.40 H new ATOM 775 N MET A 48 8.652 3.081 -3.315 1.00 11.42 N ATOM 776 CA MET A 48 8.057 2.171 -2.332 1.00 74.00 C ATOM 777 C MET A 48 6.646 2.673 -2.024 1.00 64.30 C ATOM 778 O MET A 48 6.448 3.833 -1.679 1.00 1.41 O ATOM 779 CB MET A 48 8.959 2.050 -1.057 1.00 4.33 C ATOM 780 CG MET A 48 9.410 3.379 -0.433 1.00 11.35 C ATOM 781 SD MET A 48 10.554 3.174 0.953 1.00 43.05 S ATOM 782 CE MET A 48 9.569 2.232 2.116 1.00 45.12 C ATOM 0 H MET A 48 8.382 4.055 -3.180 1.00 11.42 H new ATOM 0 HA MET A 48 7.989 1.159 -2.732 1.00 74.00 H new ATOM 0 HB2 MET A 48 8.416 1.481 -0.302 1.00 4.33 H new ATOM 0 HB3 MET A 48 9.846 1.471 -1.315 1.00 4.33 H new ATOM 0 HG2 MET A 48 9.887 3.988 -1.201 1.00 11.35 H new ATOM 0 HG3 MET A 48 8.532 3.927 -0.091 1.00 11.35 H new ATOM 0 HE1 MET A 48 10.099 2.159 3.066 1.00 45.12 H new ATOM 0 HE2 MET A 48 8.613 2.731 2.271 1.00 45.12 H new ATOM 0 HE3 MET A 48 9.396 1.232 1.719 1.00 45.12 H new ATOM 792 N ILE A 49 5.662 1.795 -2.205 1.00 42.11 N ATOM 793 CA ILE A 49 4.235 2.136 -2.127 1.00 22.13 C ATOM 794 C ILE A 49 3.525 1.141 -1.206 1.00 42.22 C ATOM 795 O ILE A 49 3.902 -0.025 -1.140 1.00 31.55 O ATOM 796 CB ILE A 49 3.590 2.156 -3.570 1.00 24.35 C ATOM 797 CG1 ILE A 49 2.055 2.452 -3.523 1.00 63.43 C ATOM 798 CG2 ILE A 49 3.890 0.855 -4.356 1.00 25.23 C ATOM 799 CD1 ILE A 49 1.371 2.459 -4.876 1.00 70.11 C ATOM 0 H ILE A 49 5.831 0.811 -2.413 1.00 42.11 H new ATOM 0 HA ILE A 49 4.121 3.136 -1.708 1.00 22.13 H new ATOM 0 HB ILE A 49 4.061 2.978 -4.110 1.00 24.35 H new ATOM 0 HG12 ILE A 49 1.574 1.705 -2.891 1.00 63.43 H new ATOM 0 HG13 ILE A 49 1.900 3.420 -3.047 1.00 63.43 H new ATOM 0 HG21 ILE A 49 3.428 0.911 -5.342 1.00 25.23 H new ATOM 0 HG22 ILE A 49 4.968 0.737 -4.466 1.00 25.23 H new ATOM 0 HG23 ILE A 49 3.485 0.001 -3.814 1.00 25.23 H new ATOM 0 HD11 ILE A 49 0.310 2.672 -4.746 1.00 70.11 H new ATOM 0 HD12 ILE A 49 1.821 3.225 -5.507 1.00 70.11 H new ATOM 0 HD13 ILE A 49 1.490 1.484 -5.349 1.00 70.11 H new ATOM 811 N ILE A 50 2.533 1.628 -0.454 1.00 24.40 N ATOM 812 CA ILE A 50 1.724 0.808 0.453 1.00 65.34 C ATOM 813 C ILE A 50 0.250 1.092 0.140 1.00 12.03 C ATOM 814 O ILE A 50 -0.201 2.225 0.280 1.00 33.31 O ATOM 815 CB ILE A 50 2.052 1.135 1.960 1.00 11.55 C ATOM 816 CG1 ILE A 50 3.589 0.965 2.238 1.00 12.44 C ATOM 817 CG2 ILE A 50 1.203 0.262 2.921 1.00 33.42 C ATOM 818 CD1 ILE A 50 4.053 1.354 3.624 1.00 74.52 C ATOM 0 H ILE A 50 2.266 2.613 -0.458 1.00 24.40 H new ATOM 0 HA ILE A 50 1.948 -0.249 0.305 1.00 65.34 H new ATOM 0 HB ILE A 50 1.788 2.176 2.149 1.00 11.55 H new ATOM 0 HG12 ILE A 50 3.858 -0.077 2.064 1.00 12.44 H new ATOM 0 HG13 ILE A 50 4.139 1.562 1.510 1.00 12.44 H new ATOM 0 HG21 ILE A 50 1.451 0.510 3.953 1.00 33.42 H new ATOM 0 HG22 ILE A 50 0.144 0.453 2.746 1.00 33.42 H new ATOM 0 HG23 ILE A 50 1.416 -0.791 2.740 1.00 33.42 H new ATOM 0 HD11 ILE A 50 5.129 1.197 3.705 1.00 74.52 H new ATOM 0 HD12 ILE A 50 3.826 2.405 3.802 1.00 74.52 H new ATOM 0 HD13 ILE A 50 3.540 0.741 4.365 1.00 74.52 H new ATOM 830 N VAL A 51 -0.477 0.072 -0.336 1.00 25.12 N ATOM 831 CA VAL A 51 -1.891 0.200 -0.715 1.00 73.20 C ATOM 832 C VAL A 51 -2.753 -0.613 0.248 1.00 70.15 C ATOM 833 O VAL A 51 -2.583 -1.829 0.374 1.00 3.45 O ATOM 834 CB VAL A 51 -2.147 -0.266 -2.196 1.00 5.13 C ATOM 835 CG1 VAL A 51 -3.642 -0.145 -2.593 1.00 4.31 C ATOM 836 CG2 VAL A 51 -1.258 0.533 -3.167 1.00 32.10 C ATOM 0 H VAL A 51 -0.101 -0.867 -0.469 1.00 25.12 H new ATOM 0 HA VAL A 51 -2.162 1.254 -0.654 1.00 73.20 H new ATOM 0 HB VAL A 51 -1.883 -1.321 -2.261 1.00 5.13 H new ATOM 0 HG11 VAL A 51 -3.773 -0.477 -3.623 1.00 4.31 H new ATOM 0 HG12 VAL A 51 -4.246 -0.767 -1.932 1.00 4.31 H new ATOM 0 HG13 VAL A 51 -3.959 0.894 -2.504 1.00 4.31 H new ATOM 0 HG21 VAL A 51 -1.445 0.201 -4.188 1.00 32.10 H new ATOM 0 HG22 VAL A 51 -1.490 1.595 -3.083 1.00 32.10 H new ATOM 0 HG23 VAL A 51 -0.209 0.370 -2.918 1.00 32.10 H new ATOM 846 N LYS A 52 -3.653 0.092 0.937 1.00 0.45 N ATOM 847 CA LYS A 52 -4.679 -0.498 1.791 1.00 65.10 C ATOM 848 C LYS A 52 -6.033 -0.386 1.073 1.00 23.12 C ATOM 849 O LYS A 52 -6.577 0.715 0.925 1.00 63.45 O ATOM 850 CB LYS A 52 -4.719 0.217 3.172 1.00 3.13 C ATOM 851 CG LYS A 52 -5.837 -0.269 4.126 1.00 23.13 C ATOM 852 CD LYS A 52 -5.772 -1.787 4.419 1.00 24.11 C ATOM 853 CE LYS A 52 -6.895 -2.258 5.342 1.00 4.24 C ATOM 854 NZ LYS A 52 -8.234 -1.922 4.829 1.00 42.30 N ATOM 0 H LYS A 52 -3.687 1.111 0.914 1.00 0.45 H new ATOM 0 HA LYS A 52 -4.451 -1.548 1.975 1.00 65.10 H new ATOM 0 HB2 LYS A 52 -3.756 0.079 3.664 1.00 3.13 H new ATOM 0 HB3 LYS A 52 -4.842 1.287 3.007 1.00 3.13 H new ATOM 0 HG2 LYS A 52 -5.767 0.279 5.066 1.00 23.13 H new ATOM 0 HG3 LYS A 52 -6.807 -0.031 3.689 1.00 23.13 H new ATOM 0 HD2 LYS A 52 -5.825 -2.337 3.479 1.00 24.11 H new ATOM 0 HD3 LYS A 52 -4.810 -2.024 4.873 1.00 24.11 H new ATOM 0 HE2 LYS A 52 -6.822 -3.337 5.474 1.00 4.24 H new ATOM 0 HE3 LYS A 52 -6.764 -1.807 6.326 1.00 4.24 H new ATOM 0 HZ1 LYS A 52 -8.956 -2.407 5.399 1.00 42.30 H new ATOM 0 HZ2 LYS A 52 -8.380 -0.894 4.887 1.00 42.30 H new ATOM 0 HZ3 LYS A 52 -8.313 -2.228 3.838 1.00 42.30 H new ATOM 868 N THR A 53 -6.534 -1.530 0.596 1.00 73.50 N ATOM 869 CA THR A 53 -7.864 -1.648 -0.018 1.00 0.54 C ATOM 870 C THR A 53 -8.278 -3.128 -0.030 1.00 70.21 C ATOM 871 O THR A 53 -7.423 -4.032 -0.024 1.00 22.43 O ATOM 872 CB THR A 53 -7.932 -1.040 -1.469 1.00 71.51 C ATOM 873 OG1 THR A 53 -9.277 -1.096 -1.976 1.00 44.52 O ATOM 874 CG2 THR A 53 -6.991 -1.736 -2.468 1.00 33.31 C ATOM 0 H THR A 53 -6.022 -2.412 0.625 1.00 73.50 H new ATOM 0 HA THR A 53 -8.561 -1.064 0.583 1.00 0.54 H new ATOM 0 HB THR A 53 -7.602 -0.006 -1.374 1.00 71.51 H new ATOM 0 HG1 THR A 53 -9.591 -0.188 -2.171 1.00 44.52 H new ATOM 0 HG21 THR A 53 -7.089 -1.267 -3.447 1.00 33.31 H new ATOM 0 HG22 THR A 53 -5.961 -1.644 -2.123 1.00 33.31 H new ATOM 0 HG23 THR A 53 -7.256 -2.791 -2.543 1.00 33.31 H new ATOM 882 N GLU A 54 -9.600 -3.363 -0.005 1.00 30.14 N ATOM 883 CA GLU A 54 -10.189 -4.715 -0.012 1.00 23.31 C ATOM 884 C GLU A 54 -10.587 -5.113 -1.445 1.00 42.14 C ATOM 885 O GLU A 54 -10.918 -6.282 -1.710 1.00 11.10 O ATOM 886 CB GLU A 54 -11.432 -4.781 0.931 1.00 63.14 C ATOM 887 CG GLU A 54 -11.180 -4.382 2.409 1.00 45.20 C ATOM 888 CD GLU A 54 -11.088 -2.864 2.635 1.00 70.23 C ATOM 889 OE1 GLU A 54 -9.974 -2.320 2.739 1.00 23.34 O ATOM 890 OE2 GLU A 54 -12.141 -2.207 2.692 1.00 61.33 O ATOM 0 H GLU A 54 -10.295 -2.617 0.021 1.00 30.14 H new ATOM 0 HA GLU A 54 -9.441 -5.418 0.356 1.00 23.31 H new ATOM 0 HB2 GLU A 54 -12.207 -4.130 0.526 1.00 63.14 H new ATOM 0 HB3 GLU A 54 -11.826 -5.797 0.911 1.00 63.14 H new ATOM 0 HG2 GLU A 54 -11.984 -4.784 3.026 1.00 45.20 H new ATOM 0 HG3 GLU A 54 -10.255 -4.847 2.748 1.00 45.20 H new ATOM 897 N ASP A 55 -10.556 -4.124 -2.360 1.00 44.21 N ATOM 898 CA ASP A 55 -10.943 -4.315 -3.760 1.00 13.40 C ATOM 899 C ASP A 55 -9.802 -5.028 -4.517 1.00 34.01 C ATOM 900 O ASP A 55 -8.764 -4.418 -4.799 1.00 30.45 O ATOM 901 CB ASP A 55 -11.294 -2.947 -4.413 1.00 74.53 C ATOM 902 CG ASP A 55 -11.961 -3.101 -5.795 1.00 72.40 C ATOM 903 OD1 ASP A 55 -11.252 -3.330 -6.799 1.00 74.02 O ATOM 904 OD2 ASP A 55 -13.207 -3.016 -5.883 1.00 63.54 O ATOM 0 H ASP A 55 -10.261 -3.172 -2.143 1.00 44.21 H new ATOM 0 HA ASP A 55 -11.833 -4.942 -3.812 1.00 13.40 H new ATOM 0 HB2 ASP A 55 -11.961 -2.394 -3.752 1.00 74.53 H new ATOM 0 HB3 ASP A 55 -10.385 -2.355 -4.517 1.00 74.53 H new ATOM 909 N LYS A 56 -10.022 -6.326 -4.810 1.00 23.24 N ATOM 910 CA LYS A 56 -9.045 -7.220 -5.487 1.00 34.21 C ATOM 911 C LYS A 56 -8.522 -6.640 -6.814 1.00 41.31 C ATOM 912 O LYS A 56 -7.341 -6.814 -7.145 1.00 22.10 O ATOM 913 CB LYS A 56 -9.686 -8.606 -5.767 1.00 41.34 C ATOM 914 CG LYS A 56 -10.152 -9.386 -4.519 1.00 41.54 C ATOM 915 CD LYS A 56 -10.836 -10.719 -4.897 1.00 74.32 C ATOM 916 CE LYS A 56 -11.135 -11.606 -3.682 1.00 52.42 C ATOM 917 NZ LYS A 56 -11.717 -12.915 -4.077 1.00 0.23 N ATOM 0 H LYS A 56 -10.898 -6.796 -4.581 1.00 23.24 H new ATOM 0 HA LYS A 56 -8.199 -7.319 -4.807 1.00 34.21 H new ATOM 0 HB2 LYS A 56 -10.542 -8.464 -6.426 1.00 41.34 H new ATOM 0 HB3 LYS A 56 -8.965 -9.218 -6.308 1.00 41.34 H new ATOM 0 HG2 LYS A 56 -9.296 -9.587 -3.875 1.00 41.54 H new ATOM 0 HG3 LYS A 56 -10.845 -8.772 -3.945 1.00 41.54 H new ATOM 0 HD2 LYS A 56 -11.767 -10.507 -5.423 1.00 74.32 H new ATOM 0 HD3 LYS A 56 -10.196 -11.265 -5.590 1.00 74.32 H new ATOM 0 HE2 LYS A 56 -10.216 -11.773 -3.120 1.00 52.42 H new ATOM 0 HE3 LYS A 56 -11.826 -11.088 -3.017 1.00 52.42 H new ATOM 0 HZ1 LYS A 56 -11.904 -13.483 -3.226 1.00 0.23 H new ATOM 0 HZ2 LYS A 56 -12.607 -12.758 -4.591 1.00 0.23 H new ATOM 0 HZ3 LYS A 56 -11.048 -13.421 -4.691 1.00 0.23 H new ATOM 931 N GLU A 57 -9.420 -5.978 -7.573 1.00 53.52 N ATOM 932 CA GLU A 57 -9.088 -5.396 -8.888 1.00 41.33 C ATOM 933 C GLU A 57 -8.051 -4.290 -8.702 1.00 54.12 C ATOM 934 O GLU A 57 -7.002 -4.312 -9.338 1.00 32.13 O ATOM 935 CB GLU A 57 -10.360 -4.846 -9.600 1.00 52.21 C ATOM 936 CG GLU A 57 -11.505 -5.868 -9.753 1.00 62.11 C ATOM 937 CD GLU A 57 -11.145 -7.073 -10.633 1.00 65.34 C ATOM 938 OE1 GLU A 57 -11.278 -6.975 -11.871 1.00 12.44 O ATOM 939 OE2 GLU A 57 -10.731 -8.126 -10.098 1.00 23.02 O ATOM 0 H GLU A 57 -10.390 -5.833 -7.293 1.00 53.52 H new ATOM 0 HA GLU A 57 -8.673 -6.178 -9.524 1.00 41.33 H new ATOM 0 HB2 GLU A 57 -10.730 -3.987 -9.041 1.00 52.21 H new ATOM 0 HB3 GLU A 57 -10.079 -4.485 -10.589 1.00 52.21 H new ATOM 0 HG2 GLU A 57 -11.795 -6.225 -8.765 1.00 62.11 H new ATOM 0 HG3 GLU A 57 -12.374 -5.366 -10.178 1.00 62.11 H new ATOM 946 N SER A 58 -8.326 -3.397 -7.740 1.00 74.03 N ATOM 947 CA SER A 58 -7.490 -2.219 -7.455 1.00 5.10 C ATOM 948 C SER A 58 -6.081 -2.641 -7.013 1.00 10.12 C ATOM 949 O SER A 58 -5.081 -2.079 -7.465 1.00 21.34 O ATOM 950 CB SER A 58 -8.160 -1.380 -6.352 1.00 3.44 C ATOM 951 OG SER A 58 -9.464 -0.972 -6.738 1.00 43.23 O ATOM 0 H SER A 58 -9.142 -3.472 -7.132 1.00 74.03 H new ATOM 0 HA SER A 58 -7.394 -1.625 -8.364 1.00 5.10 H new ATOM 0 HB2 SER A 58 -8.216 -1.962 -5.432 1.00 3.44 H new ATOM 0 HB3 SER A 58 -7.550 -0.502 -6.138 1.00 3.44 H new ATOM 0 HG SER A 58 -10.041 -1.759 -6.823 1.00 43.23 H new ATOM 957 N ILE A 59 -6.041 -3.640 -6.112 1.00 15.43 N ATOM 958 CA ILE A 59 -4.799 -4.257 -5.625 1.00 24.31 C ATOM 959 C ILE A 59 -3.934 -4.727 -6.809 1.00 24.14 C ATOM 960 O ILE A 59 -2.796 -4.278 -6.976 1.00 12.32 O ATOM 961 CB ILE A 59 -5.129 -5.481 -4.681 1.00 22.13 C ATOM 962 CG1 ILE A 59 -5.908 -5.018 -3.410 1.00 24.13 C ATOM 963 CG2 ILE A 59 -3.852 -6.251 -4.291 1.00 14.40 C ATOM 964 CD1 ILE A 59 -6.440 -6.141 -2.542 1.00 41.24 C ATOM 0 H ILE A 59 -6.881 -4.044 -5.699 1.00 15.43 H new ATOM 0 HA ILE A 59 -4.243 -3.511 -5.057 1.00 24.31 H new ATOM 0 HB ILE A 59 -5.770 -6.162 -5.241 1.00 22.13 H new ATOM 0 HG12 ILE A 59 -5.250 -4.393 -2.806 1.00 24.13 H new ATOM 0 HG13 ILE A 59 -6.744 -4.393 -3.722 1.00 24.13 H new ATOM 0 HG21 ILE A 59 -4.115 -7.086 -3.642 1.00 14.40 H new ATOM 0 HG22 ILE A 59 -3.366 -6.629 -5.190 1.00 14.40 H new ATOM 0 HG23 ILE A 59 -3.171 -5.583 -3.765 1.00 14.40 H new ATOM 0 HD11 ILE A 59 -6.965 -5.720 -1.685 1.00 41.24 H new ATOM 0 HD12 ILE A 59 -7.127 -6.756 -3.123 1.00 41.24 H new ATOM 0 HD13 ILE A 59 -5.610 -6.756 -2.193 1.00 41.24 H new ATOM 976 N SER A 60 -4.536 -5.588 -7.646 1.00 13.23 N ATOM 977 CA SER A 60 -3.858 -6.251 -8.772 1.00 0.11 C ATOM 978 C SER A 60 -3.284 -5.229 -9.781 1.00 70.23 C ATOM 979 O SER A 60 -2.144 -5.385 -10.224 1.00 71.11 O ATOM 980 CB SER A 60 -4.833 -7.229 -9.467 1.00 3.30 C ATOM 981 OG SER A 60 -4.176 -8.026 -10.447 1.00 40.42 O ATOM 0 H SER A 60 -5.519 -5.846 -7.559 1.00 13.23 H new ATOM 0 HA SER A 60 -3.012 -6.813 -8.376 1.00 0.11 H new ATOM 0 HB2 SER A 60 -5.291 -7.877 -8.720 1.00 3.30 H new ATOM 0 HB3 SER A 60 -5.639 -6.665 -9.938 1.00 3.30 H new ATOM 0 HG SER A 60 -3.303 -8.311 -10.105 1.00 40.42 H new ATOM 987 N GLU A 61 -4.065 -4.165 -10.098 1.00 55.34 N ATOM 988 CA GLU A 61 -3.657 -3.129 -11.082 1.00 40.44 C ATOM 989 C GLU A 61 -2.383 -2.413 -10.608 1.00 51.15 C ATOM 990 O GLU A 61 -1.419 -2.301 -11.375 1.00 51.14 O ATOM 991 CB GLU A 61 -4.796 -2.096 -11.361 1.00 21.44 C ATOM 992 CG GLU A 61 -6.139 -2.704 -11.831 1.00 23.12 C ATOM 993 CD GLU A 61 -5.988 -3.790 -12.914 1.00 70.02 C ATOM 994 OE1 GLU A 61 -6.072 -5.000 -12.588 1.00 22.23 O ATOM 995 OE2 GLU A 61 -5.786 -3.443 -14.099 1.00 20.03 O ATOM 0 H GLU A 61 -4.983 -4.002 -9.685 1.00 55.34 H new ATOM 0 HA GLU A 61 -3.450 -3.639 -12.023 1.00 40.44 H new ATOM 0 HB2 GLU A 61 -4.974 -1.522 -10.452 1.00 21.44 H new ATOM 0 HB3 GLU A 61 -4.449 -1.393 -12.119 1.00 21.44 H new ATOM 0 HG2 GLU A 61 -6.654 -3.132 -10.971 1.00 23.12 H new ATOM 0 HG3 GLU A 61 -6.773 -1.906 -12.217 1.00 23.12 H new ATOM 1002 N ILE A 62 -2.376 -1.980 -9.318 1.00 32.44 N ATOM 1003 CA ILE A 62 -1.196 -1.324 -8.703 1.00 70.50 C ATOM 1004 C ILE A 62 0.033 -2.253 -8.781 1.00 60.42 C ATOM 1005 O ILE A 62 1.088 -1.814 -9.233 1.00 43.14 O ATOM 1006 CB ILE A 62 -1.445 -0.839 -7.193 1.00 63.51 C ATOM 1007 CG1 ILE A 62 -2.156 0.567 -7.133 1.00 31.43 C ATOM 1008 CG2 ILE A 62 -0.126 -0.800 -6.352 1.00 33.53 C ATOM 1009 CD1 ILE A 62 -3.561 0.631 -7.712 1.00 14.02 C ATOM 0 H ILE A 62 -3.173 -2.074 -8.688 1.00 32.44 H new ATOM 0 HA ILE A 62 -1.009 -0.420 -9.282 1.00 70.50 H new ATOM 0 HB ILE A 62 -2.107 -1.583 -6.751 1.00 63.51 H new ATOM 0 HG12 ILE A 62 -2.199 0.886 -6.091 1.00 31.43 H new ATOM 0 HG13 ILE A 62 -1.534 1.289 -7.662 1.00 31.43 H new ATOM 0 HG21 ILE A 62 -0.350 -0.466 -5.339 1.00 33.53 H new ATOM 0 HG22 ILE A 62 0.312 -1.797 -6.316 1.00 33.53 H new ATOM 0 HG23 ILE A 62 0.580 -0.110 -6.814 1.00 33.53 H new ATOM 0 HD11 ILE A 62 -3.948 1.645 -7.616 1.00 14.02 H new ATOM 0 HD12 ILE A 62 -3.534 0.352 -8.765 1.00 14.02 H new ATOM 0 HD13 ILE A 62 -4.209 -0.058 -7.171 1.00 14.02 H new ATOM 1021 N ILE A 63 -0.133 -3.535 -8.375 1.00 3.35 N ATOM 1022 CA ILE A 63 0.971 -4.524 -8.345 1.00 61.45 C ATOM 1023 C ILE A 63 1.628 -4.627 -9.720 1.00 14.43 C ATOM 1024 O ILE A 63 2.842 -4.567 -9.818 1.00 43.24 O ATOM 1025 CB ILE A 63 0.487 -5.954 -7.908 1.00 42.45 C ATOM 1026 CG1 ILE A 63 -0.135 -5.918 -6.484 1.00 42.34 C ATOM 1027 CG2 ILE A 63 1.642 -6.999 -7.971 1.00 55.11 C ATOM 1028 CD1 ILE A 63 -0.819 -7.203 -6.085 1.00 64.53 C ATOM 0 H ILE A 63 -1.028 -3.910 -8.062 1.00 3.35 H new ATOM 0 HA ILE A 63 1.688 -4.167 -7.605 1.00 61.45 H new ATOM 0 HB ILE A 63 -0.281 -6.265 -8.616 1.00 42.45 H new ATOM 0 HG12 ILE A 63 0.649 -5.695 -5.761 1.00 42.34 H new ATOM 0 HG13 ILE A 63 -0.856 -5.102 -6.433 1.00 42.34 H new ATOM 0 HG21 ILE A 63 1.267 -7.975 -7.662 1.00 55.11 H new ATOM 0 HG22 ILE A 63 2.020 -7.062 -8.991 1.00 55.11 H new ATOM 0 HG23 ILE A 63 2.448 -6.692 -7.304 1.00 55.11 H new ATOM 0 HD11 ILE A 63 -1.228 -7.101 -5.080 1.00 64.53 H new ATOM 0 HD12 ILE A 63 -1.626 -7.418 -6.785 1.00 64.53 H new ATOM 0 HD13 ILE A 63 -0.097 -8.020 -6.102 1.00 64.53 H new ATOM 1040 N LYS A 64 0.788 -4.723 -10.770 1.00 23.41 N ATOM 1041 CA LYS A 64 1.238 -4.797 -12.178 1.00 51.04 C ATOM 1042 C LYS A 64 2.101 -3.580 -12.532 1.00 70.15 C ATOM 1043 O LYS A 64 3.141 -3.713 -13.168 1.00 40.43 O ATOM 1044 CB LYS A 64 0.015 -4.856 -13.130 1.00 4.13 C ATOM 1045 CG LYS A 64 -0.879 -6.102 -12.968 1.00 43.45 C ATOM 1046 CD LYS A 64 -2.218 -5.966 -13.727 1.00 31.22 C ATOM 1047 CE LYS A 64 -3.158 -7.154 -13.492 1.00 43.22 C ATOM 1048 NZ LYS A 64 -4.475 -6.943 -14.145 1.00 14.11 N ATOM 0 H LYS A 64 -0.226 -4.752 -10.667 1.00 23.41 H new ATOM 0 HA LYS A 64 1.833 -5.702 -12.298 1.00 51.04 H new ATOM 0 HB2 LYS A 64 -0.595 -3.967 -12.969 1.00 4.13 H new ATOM 0 HB3 LYS A 64 0.372 -4.815 -14.159 1.00 4.13 H new ATOM 0 HG2 LYS A 64 -0.345 -6.979 -13.332 1.00 43.45 H new ATOM 0 HG3 LYS A 64 -1.079 -6.268 -11.909 1.00 43.45 H new ATOM 0 HD2 LYS A 64 -2.716 -5.048 -13.415 1.00 31.22 H new ATOM 0 HD3 LYS A 64 -2.017 -5.873 -14.794 1.00 31.22 H new ATOM 0 HE2 LYS A 64 -2.700 -8.064 -13.880 1.00 43.22 H new ATOM 0 HE3 LYS A 64 -3.301 -7.300 -12.421 1.00 43.22 H new ATOM 0 HZ1 LYS A 64 -4.982 -7.849 -14.204 1.00 14.11 H new ATOM 0 HZ2 LYS A 64 -5.035 -6.268 -13.586 1.00 14.11 H new ATOM 0 HZ3 LYS A 64 -4.331 -6.564 -15.103 1.00 14.11 H new ATOM 1062 N GLN A 65 1.654 -2.402 -12.083 1.00 61.22 N ATOM 1063 CA GLN A 65 2.349 -1.122 -12.322 1.00 10.34 C ATOM 1064 C GLN A 65 3.629 -0.986 -11.477 1.00 23.11 C ATOM 1065 O GLN A 65 4.521 -0.213 -11.829 1.00 41.31 O ATOM 1066 CB GLN A 65 1.376 0.044 -12.045 1.00 41.55 C ATOM 1067 CG GLN A 65 0.085 0.006 -12.873 1.00 21.33 C ATOM 1068 CD GLN A 65 0.332 -0.072 -14.379 1.00 75.03 C ATOM 1069 OE1 GLN A 65 0.388 -1.157 -14.967 1.00 32.44 O ATOM 1070 NE2 GLN A 65 0.505 1.072 -15.005 1.00 65.10 N ATOM 0 H GLN A 65 0.796 -2.304 -11.540 1.00 61.22 H new ATOM 0 HA GLN A 65 2.665 -1.094 -13.365 1.00 10.34 H new ATOM 0 HB2 GLN A 65 1.114 0.038 -10.987 1.00 41.55 H new ATOM 0 HB3 GLN A 65 1.891 0.985 -12.241 1.00 41.55 H new ATOM 0 HG2 GLN A 65 -0.510 -0.854 -12.565 1.00 21.33 H new ATOM 0 HG3 GLN A 65 -0.504 0.897 -12.655 1.00 21.33 H new ATOM 0 HE21 GLN A 65 0.452 1.950 -14.488 1.00 65.10 H new ATOM 0 HE22 GLN A 65 0.692 1.081 -16.008 1.00 65.10 H new ATOM 1079 N VAL A 66 3.707 -1.730 -10.360 1.00 65.23 N ATOM 1080 CA VAL A 66 4.914 -1.785 -9.507 1.00 21.54 C ATOM 1081 C VAL A 66 5.917 -2.827 -10.055 1.00 50.20 C ATOM 1082 O VAL A 66 7.123 -2.692 -9.855 1.00 52.01 O ATOM 1083 CB VAL A 66 4.542 -2.088 -8.008 1.00 51.23 C ATOM 1084 CG1 VAL A 66 5.796 -2.189 -7.115 1.00 52.23 C ATOM 1085 CG2 VAL A 66 3.561 -1.026 -7.454 1.00 34.52 C ATOM 0 H VAL A 66 2.939 -2.310 -10.021 1.00 65.23 H new ATOM 0 HA VAL A 66 5.391 -0.805 -9.532 1.00 21.54 H new ATOM 0 HB VAL A 66 4.046 -3.058 -7.989 1.00 51.23 H new ATOM 0 HG11 VAL A 66 5.496 -2.399 -6.088 1.00 52.23 H new ATOM 0 HG12 VAL A 66 6.437 -2.993 -7.477 1.00 52.23 H new ATOM 0 HG13 VAL A 66 6.343 -1.247 -7.148 1.00 52.23 H new ATOM 0 HG21 VAL A 66 3.320 -1.259 -6.417 1.00 34.52 H new ATOM 0 HG22 VAL A 66 4.024 -0.041 -7.507 1.00 34.52 H new ATOM 0 HG23 VAL A 66 2.647 -1.030 -8.048 1.00 34.52 H new ATOM 1095 N LEU A 67 5.406 -3.861 -10.755 1.00 34.03 N ATOM 1096 CA LEU A 67 6.248 -4.822 -11.509 1.00 21.13 C ATOM 1097 C LEU A 67 6.888 -4.069 -12.690 1.00 44.31 C ATOM 1098 O LEU A 67 8.090 -4.189 -12.950 1.00 11.25 O ATOM 1099 CB LEU A 67 5.404 -6.030 -12.025 1.00 12.34 C ATOM 1100 CG LEU A 67 4.641 -6.864 -10.941 1.00 32.45 C ATOM 1101 CD1 LEU A 67 3.726 -7.931 -11.587 1.00 72.01 C ATOM 1102 CD2 LEU A 67 5.614 -7.485 -9.905 1.00 33.02 C ATOM 0 H LEU A 67 4.407 -4.055 -10.816 1.00 34.03 H new ATOM 0 HA LEU A 67 7.019 -5.226 -10.853 1.00 21.13 H new ATOM 0 HB2 LEU A 67 4.674 -5.655 -12.742 1.00 12.34 H new ATOM 0 HB3 LEU A 67 6.068 -6.703 -12.568 1.00 12.34 H new ATOM 0 HG LEU A 67 3.995 -6.176 -10.396 1.00 32.45 H new ATOM 0 HD11 LEU A 67 3.212 -8.491 -10.806 1.00 72.01 H new ATOM 0 HD12 LEU A 67 2.991 -7.441 -12.226 1.00 72.01 H new ATOM 0 HD13 LEU A 67 4.329 -8.614 -12.185 1.00 72.01 H new ATOM 0 HD21 LEU A 67 5.047 -8.056 -9.170 1.00 33.02 H new ATOM 0 HD22 LEU A 67 6.315 -8.146 -10.415 1.00 33.02 H new ATOM 0 HD23 LEU A 67 6.165 -6.691 -9.401 1.00 33.02 H new ATOM 1114 N ASP A 68 6.040 -3.260 -13.356 1.00 71.52 N ATOM 1115 CA ASP A 68 6.425 -2.297 -14.413 1.00 34.32 C ATOM 1116 C ASP A 68 7.476 -1.313 -13.885 1.00 61.15 C ATOM 1117 O ASP A 68 8.460 -1.007 -14.567 1.00 65.01 O ATOM 1118 CB ASP A 68 5.142 -1.539 -14.878 1.00 25.44 C ATOM 1119 CG ASP A 68 5.391 -0.345 -15.825 1.00 12.53 C ATOM 1120 OD1 ASP A 68 5.563 -0.561 -17.037 1.00 44.32 O ATOM 1121 OD2 ASP A 68 5.382 0.818 -15.365 1.00 4.31 O ATOM 0 H ASP A 68 5.037 -3.257 -13.169 1.00 71.52 H new ATOM 0 HA ASP A 68 6.866 -2.827 -15.258 1.00 34.32 H new ATOM 0 HB2 ASP A 68 4.482 -2.248 -15.378 1.00 25.44 H new ATOM 0 HB3 ASP A 68 4.613 -1.178 -13.996 1.00 25.44 H new ATOM 1126 N SER A 69 7.267 -0.845 -12.642 1.00 35.45 N ATOM 1127 CA SER A 69 8.160 0.129 -11.991 1.00 13.23 C ATOM 1128 C SER A 69 9.429 -0.544 -11.418 1.00 53.25 C ATOM 1129 O SER A 69 10.446 0.124 -11.221 1.00 35.13 O ATOM 1130 CB SER A 69 7.392 0.920 -10.891 1.00 53.41 C ATOM 1131 OG SER A 69 8.111 2.060 -10.446 1.00 24.23 O ATOM 0 H SER A 69 6.477 -1.130 -12.063 1.00 35.45 H new ATOM 0 HA SER A 69 8.494 0.834 -12.752 1.00 13.23 H new ATOM 0 HB2 SER A 69 6.424 1.233 -11.281 1.00 53.41 H new ATOM 0 HB3 SER A 69 7.197 0.263 -10.044 1.00 53.41 H new ATOM 0 HG SER A 69 7.592 2.526 -9.758 1.00 24.23 H new ATOM 1137 N GLY A 70 9.362 -1.867 -11.170 1.00 61.11 N ATOM 1138 CA GLY A 70 10.443 -2.604 -10.490 1.00 60.41 C ATOM 1139 C GLY A 70 10.660 -2.111 -9.052 1.00 32.35 C ATOM 1140 O GLY A 70 11.767 -2.206 -8.505 1.00 33.50 O ATOM 0 H GLY A 70 8.566 -2.448 -11.432 1.00 61.11 H new ATOM 0 HA2 GLY A 70 10.204 -3.667 -10.476 1.00 60.41 H new ATOM 0 HA3 GLY A 70 11.369 -2.493 -11.055 1.00 60.41 H new ATOM 1144 N ALA A 71 9.577 -1.595 -8.445 1.00 44.21 N ATOM 1145 CA ALA A 71 9.601 -0.910 -7.136 1.00 60.24 C ATOM 1146 C ALA A 71 9.159 -1.854 -5.995 1.00 14.14 C ATOM 1147 O ALA A 71 8.830 -3.018 -6.227 1.00 34.43 O ATOM 1148 CB ALA A 71 8.682 0.331 -7.208 1.00 31.31 C ATOM 0 H ALA A 71 8.644 -1.642 -8.855 1.00 44.21 H new ATOM 0 HA ALA A 71 10.622 -0.601 -6.915 1.00 60.24 H new ATOM 0 HB1 ALA A 71 8.691 0.846 -6.248 1.00 31.31 H new ATOM 0 HB2 ALA A 71 9.042 1.006 -7.985 1.00 31.31 H new ATOM 0 HB3 ALA A 71 7.665 0.017 -7.442 1.00 31.31 H new ATOM 1154 N LYS A 72 9.164 -1.330 -4.760 1.00 21.40 N ATOM 1155 CA LYS A 72 8.652 -2.038 -3.567 1.00 60.52 C ATOM 1156 C LYS A 72 7.157 -1.727 -3.388 1.00 41.22 C ATOM 1157 O LYS A 72 6.725 -0.599 -3.635 1.00 64.43 O ATOM 1158 CB LYS A 72 9.441 -1.628 -2.282 1.00 23.25 C ATOM 1159 CG LYS A 72 10.862 -2.228 -2.153 1.00 30.53 C ATOM 1160 CD LYS A 72 11.884 -1.671 -3.166 1.00 71.11 C ATOM 1161 CE LYS A 72 12.217 -0.194 -2.910 1.00 20.32 C ATOM 1162 NZ LYS A 72 13.186 0.336 -3.899 1.00 5.43 N ATOM 0 H LYS A 72 9.525 -0.398 -4.555 1.00 21.40 H new ATOM 0 HA LYS A 72 8.790 -3.109 -3.717 1.00 60.52 H new ATOM 0 HB2 LYS A 72 9.521 -0.541 -2.257 1.00 23.25 H new ATOM 0 HB3 LYS A 72 8.859 -1.925 -1.409 1.00 23.25 H new ATOM 0 HG2 LYS A 72 11.231 -2.043 -1.144 1.00 30.53 H new ATOM 0 HG3 LYS A 72 10.799 -3.309 -2.276 1.00 30.53 H new ATOM 0 HD2 LYS A 72 12.799 -2.261 -3.116 1.00 71.11 H new ATOM 0 HD3 LYS A 72 11.488 -1.782 -4.176 1.00 71.11 H new ATOM 0 HE2 LYS A 72 11.301 0.396 -2.948 1.00 20.32 H new ATOM 0 HE3 LYS A 72 12.626 -0.083 -1.906 1.00 20.32 H new ATOM 0 HZ1 LYS A 72 13.962 0.817 -3.401 1.00 5.43 H new ATOM 0 HZ2 LYS A 72 13.571 -0.449 -4.463 1.00 5.43 H new ATOM 0 HZ3 LYS A 72 12.706 1.012 -4.527 1.00 5.43 H new ATOM 1176 N VAL A 73 6.380 -2.735 -2.968 1.00 32.31 N ATOM 1177 CA VAL A 73 4.940 -2.588 -2.704 1.00 73.02 C ATOM 1178 C VAL A 73 4.527 -3.450 -1.503 1.00 21.34 C ATOM 1179 O VAL A 73 5.018 -4.574 -1.326 1.00 21.50 O ATOM 1180 CB VAL A 73 4.064 -2.935 -3.974 1.00 32.33 C ATOM 1181 CG1 VAL A 73 4.365 -4.352 -4.513 1.00 70.41 C ATOM 1182 CG2 VAL A 73 2.546 -2.723 -3.707 1.00 53.22 C ATOM 0 H VAL A 73 6.732 -3.678 -2.801 1.00 32.31 H new ATOM 0 HA VAL A 73 4.755 -1.541 -2.466 1.00 73.02 H new ATOM 0 HB VAL A 73 4.348 -2.233 -4.758 1.00 32.33 H new ATOM 0 HG11 VAL A 73 3.742 -4.550 -5.385 1.00 70.41 H new ATOM 0 HG12 VAL A 73 5.416 -4.418 -4.795 1.00 70.41 H new ATOM 0 HG13 VAL A 73 4.150 -5.089 -3.739 1.00 70.41 H new ATOM 0 HG21 VAL A 73 1.980 -2.973 -4.605 1.00 53.22 H new ATOM 0 HG22 VAL A 73 2.228 -3.366 -2.887 1.00 53.22 H new ATOM 0 HG23 VAL A 73 2.365 -1.681 -3.442 1.00 53.22 H new ATOM 1192 N LEU A 74 3.654 -2.874 -0.662 1.00 13.34 N ATOM 1193 CA LEU A 74 3.014 -3.563 0.453 1.00 43.22 C ATOM 1194 C LEU A 74 1.499 -3.550 0.229 1.00 61.11 C ATOM 1195 O LEU A 74 0.859 -2.494 0.252 1.00 73.30 O ATOM 1196 CB LEU A 74 3.382 -2.902 1.808 1.00 10.21 C ATOM 1197 CG LEU A 74 2.614 -3.436 3.065 1.00 31.43 C ATOM 1198 CD1 LEU A 74 2.672 -4.976 3.163 1.00 3.02 C ATOM 1199 CD2 LEU A 74 3.113 -2.759 4.371 1.00 73.34 C ATOM 0 H LEU A 74 3.372 -1.897 -0.746 1.00 13.34 H new ATOM 0 HA LEU A 74 3.370 -4.592 0.496 1.00 43.22 H new ATOM 0 HB2 LEU A 74 4.451 -3.036 1.976 1.00 10.21 H new ATOM 0 HB3 LEU A 74 3.204 -1.830 1.727 1.00 10.21 H new ATOM 0 HG LEU A 74 1.566 -3.164 2.939 1.00 31.43 H new ATOM 0 HD11 LEU A 74 2.128 -5.305 4.048 1.00 3.02 H new ATOM 0 HD12 LEU A 74 2.218 -5.414 2.274 1.00 3.02 H new ATOM 0 HD13 LEU A 74 3.711 -5.297 3.236 1.00 3.02 H new ATOM 0 HD21 LEU A 74 2.557 -3.155 5.221 1.00 73.34 H new ATOM 0 HD22 LEU A 74 4.175 -2.964 4.504 1.00 73.34 H new ATOM 0 HD23 LEU A 74 2.957 -1.682 4.305 1.00 73.34 H new ATOM 1211 N ILE A 75 0.954 -4.738 -0.027 1.00 62.20 N ATOM 1212 CA ILE A 75 -0.482 -4.964 -0.128 1.00 53.11 C ATOM 1213 C ILE A 75 -1.043 -5.275 1.263 1.00 20.13 C ATOM 1214 O ILE A 75 -0.767 -6.336 1.845 1.00 13.03 O ATOM 1215 CB ILE A 75 -0.800 -6.129 -1.136 1.00 4.04 C ATOM 1216 CG1 ILE A 75 -0.322 -5.738 -2.574 1.00 22.20 C ATOM 1217 CG2 ILE A 75 -2.299 -6.532 -1.116 1.00 14.21 C ATOM 1218 CD1 ILE A 75 -0.862 -4.402 -3.108 1.00 43.25 C ATOM 0 H ILE A 75 1.508 -5.582 -0.172 1.00 62.20 H new ATOM 0 HA ILE A 75 -0.959 -4.063 -0.513 1.00 53.11 H new ATOM 0 HB ILE A 75 -0.247 -7.012 -0.816 1.00 4.04 H new ATOM 0 HG12 ILE A 75 0.767 -5.698 -2.578 1.00 22.20 H new ATOM 0 HG13 ILE A 75 -0.614 -6.530 -3.263 1.00 22.20 H new ATOM 0 HG21 ILE A 75 -2.468 -7.340 -1.828 1.00 14.21 H new ATOM 0 HG22 ILE A 75 -2.572 -6.867 -0.116 1.00 14.21 H new ATOM 0 HG23 ILE A 75 -2.911 -5.672 -1.390 1.00 14.21 H new ATOM 0 HD11 ILE A 75 -0.471 -4.226 -4.110 1.00 43.25 H new ATOM 0 HD12 ILE A 75 -1.951 -4.438 -3.145 1.00 43.25 H new ATOM 0 HD13 ILE A 75 -0.548 -3.593 -2.449 1.00 43.25 H new ATOM 1230 N LEU A 76 -1.767 -4.299 1.809 1.00 40.02 N ATOM 1231 CA LEU A 76 -2.549 -4.454 3.026 1.00 40.32 C ATOM 1232 C LEU A 76 -4.010 -4.682 2.632 1.00 44.24 C ATOM 1233 O LEU A 76 -4.615 -3.857 1.929 1.00 2.21 O ATOM 1234 CB LEU A 76 -2.397 -3.200 3.928 1.00 50.02 C ATOM 1235 CG LEU A 76 -0.962 -2.945 4.478 1.00 54.40 C ATOM 1236 CD1 LEU A 76 -0.891 -1.648 5.321 1.00 71.25 C ATOM 1237 CD2 LEU A 76 -0.457 -4.172 5.276 1.00 51.23 C ATOM 0 H LEU A 76 -1.825 -3.363 1.408 1.00 40.02 H new ATOM 0 HA LEU A 76 -2.192 -5.310 3.599 1.00 40.32 H new ATOM 0 HB2 LEU A 76 -2.712 -2.324 3.360 1.00 50.02 H new ATOM 0 HB3 LEU A 76 -3.080 -3.295 4.772 1.00 50.02 H new ATOM 0 HG LEU A 76 -0.299 -2.802 3.625 1.00 54.40 H new ATOM 0 HD11 LEU A 76 0.126 -1.507 5.686 1.00 71.25 H new ATOM 0 HD12 LEU A 76 -1.177 -0.797 4.703 1.00 71.25 H new ATOM 0 HD13 LEU A 76 -1.573 -1.727 6.168 1.00 71.25 H new ATOM 0 HD21 LEU A 76 0.547 -3.974 5.652 1.00 51.23 H new ATOM 0 HD22 LEU A 76 -1.127 -4.362 6.114 1.00 51.23 H new ATOM 0 HD23 LEU A 76 -0.435 -5.046 4.625 1.00 51.23 H new ATOM 1249 N SER A 77 -4.557 -5.815 3.067 1.00 33.14 N ATOM 1250 CA SER A 77 -5.951 -6.188 2.830 1.00 34.54 C ATOM 1251 C SER A 77 -6.481 -6.807 4.126 1.00 51.51 C ATOM 1252 O SER A 77 -5.761 -7.547 4.810 1.00 40.25 O ATOM 1253 CB SER A 77 -6.053 -7.176 1.643 1.00 45.04 C ATOM 1254 OG SER A 77 -5.446 -6.646 0.476 1.00 63.34 O ATOM 0 H SER A 77 -4.037 -6.511 3.602 1.00 33.14 H new ATOM 0 HA SER A 77 -6.549 -5.317 2.563 1.00 34.54 H new ATOM 0 HB2 SER A 77 -5.573 -8.118 1.909 1.00 45.04 H new ATOM 0 HB3 SER A 77 -7.101 -7.398 1.441 1.00 45.04 H new ATOM 0 HG SER A 77 -5.236 -7.376 -0.144 1.00 63.34 H new ATOM 1260 N SER A 78 -7.726 -6.479 4.470 1.00 41.11 N ATOM 1261 CA SER A 78 -8.341 -6.886 5.739 1.00 45.23 C ATOM 1262 C SER A 78 -8.600 -8.409 5.779 1.00 24.43 C ATOM 1263 O SER A 78 -8.488 -9.052 6.829 1.00 51.43 O ATOM 1264 CB SER A 78 -9.641 -6.079 5.930 1.00 54.12 C ATOM 1265 OG SER A 78 -9.401 -4.672 5.872 1.00 52.34 O ATOM 0 H SER A 78 -8.341 -5.922 3.877 1.00 41.11 H new ATOM 0 HA SER A 78 -7.659 -6.673 6.563 1.00 45.23 H new ATOM 0 HB2 SER A 78 -10.359 -6.358 5.159 1.00 54.12 H new ATOM 0 HB3 SER A 78 -10.089 -6.333 6.891 1.00 54.12 H new ATOM 0 HG SER A 78 -8.522 -4.474 6.257 1.00 52.34 H new ATOM 1271 N ASP A 79 -8.911 -8.967 4.606 1.00 63.20 N ATOM 1272 CA ASP A 79 -9.238 -10.390 4.430 1.00 44.31 C ATOM 1273 C ASP A 79 -7.998 -11.205 3.993 1.00 5.24 C ATOM 1274 O ASP A 79 -7.303 -10.835 3.030 1.00 32.02 O ATOM 1275 CB ASP A 79 -10.380 -10.530 3.396 1.00 71.22 C ATOM 1276 CG ASP A 79 -10.834 -11.975 3.175 1.00 65.21 C ATOM 1277 OD1 ASP A 79 -10.461 -12.580 2.165 1.00 63.21 O ATOM 1278 OD2 ASP A 79 -11.538 -12.524 4.040 1.00 62.21 O ATOM 0 H ASP A 79 -8.944 -8.436 3.736 1.00 63.20 H new ATOM 0 HA ASP A 79 -9.567 -10.793 5.388 1.00 44.31 H new ATOM 0 HB2 ASP A 79 -11.233 -9.937 3.727 1.00 71.22 H new ATOM 0 HB3 ASP A 79 -10.051 -10.112 2.445 1.00 71.22 H new ATOM 1283 N GLU A 80 -7.760 -12.337 4.694 1.00 63.22 N ATOM 1284 CA GLU A 80 -6.579 -13.202 4.473 1.00 13.40 C ATOM 1285 C GLU A 80 -6.685 -14.029 3.190 1.00 61.10 C ATOM 1286 O GLU A 80 -5.661 -14.471 2.676 1.00 41.41 O ATOM 1287 CB GLU A 80 -6.360 -14.161 5.660 1.00 55.43 C ATOM 1288 CG GLU A 80 -5.952 -13.482 6.964 1.00 22.11 C ATOM 1289 CD GLU A 80 -5.691 -14.489 8.093 1.00 63.40 C ATOM 1290 OE1 GLU A 80 -6.601 -14.736 8.916 1.00 43.40 O ATOM 1291 OE2 GLU A 80 -4.576 -15.048 8.157 1.00 31.12 O ATOM 0 H GLU A 80 -8.381 -12.676 5.428 1.00 63.22 H new ATOM 0 HA GLU A 80 -5.730 -12.525 4.378 1.00 13.40 H new ATOM 0 HB2 GLU A 80 -7.279 -14.721 5.831 1.00 55.43 H new ATOM 0 HB3 GLU A 80 -5.592 -14.884 5.387 1.00 55.43 H new ATOM 0 HG2 GLU A 80 -5.053 -12.889 6.795 1.00 22.11 H new ATOM 0 HG3 GLU A 80 -6.737 -12.791 7.272 1.00 22.11 H new ATOM 1298 N ASN A 81 -7.908 -14.258 2.685 1.00 1.43 N ATOM 1299 CA ASN A 81 -8.106 -15.063 1.458 1.00 20.22 C ATOM 1300 C ASN A 81 -7.724 -14.212 0.239 1.00 13.13 C ATOM 1301 O ASN A 81 -7.219 -14.736 -0.755 1.00 54.31 O ATOM 1302 CB ASN A 81 -9.568 -15.570 1.333 1.00 3.24 C ATOM 1303 CG ASN A 81 -10.077 -16.273 2.590 1.00 40.10 C ATOM 1304 OD1 ASN A 81 -9.917 -17.484 2.755 1.00 71.40 O ATOM 1305 ND2 ASN A 81 -10.716 -15.517 3.474 1.00 12.23 N ATOM 0 H ASN A 81 -8.770 -13.903 3.099 1.00 1.43 H new ATOM 0 HA ASN A 81 -7.467 -15.945 1.511 1.00 20.22 H new ATOM 0 HB2 ASN A 81 -10.220 -14.725 1.109 1.00 3.24 H new ATOM 0 HB3 ASN A 81 -9.635 -16.257 0.489 1.00 3.24 H new ATOM 0 HD21 ASN A 81 -11.094 -15.935 4.324 1.00 12.23 H new ATOM 0 HD22 ASN A 81 -10.829 -14.518 3.303 1.00 12.23 H new ATOM 1312 N ILE A 82 -7.985 -12.889 0.340 1.00 11.20 N ATOM 1313 CA ILE A 82 -7.550 -11.898 -0.660 1.00 71.02 C ATOM 1314 C ILE A 82 -6.018 -11.814 -0.651 1.00 14.34 C ATOM 1315 O ILE A 82 -5.391 -11.934 -1.701 1.00 4.11 O ATOM 1316 CB ILE A 82 -8.186 -10.477 -0.405 1.00 21.35 C ATOM 1317 CG1 ILE A 82 -9.743 -10.567 -0.459 1.00 73.14 C ATOM 1318 CG2 ILE A 82 -7.650 -9.422 -1.413 1.00 53.41 C ATOM 1319 CD1 ILE A 82 -10.479 -9.256 -0.268 1.00 0.52 C ATOM 0 H ILE A 82 -8.503 -12.482 1.119 1.00 11.20 H new ATOM 0 HA ILE A 82 -7.898 -12.226 -1.640 1.00 71.02 H new ATOM 0 HB ILE A 82 -7.891 -10.147 0.591 1.00 21.35 H new ATOM 0 HG12 ILE A 82 -10.032 -10.989 -1.422 1.00 73.14 H new ATOM 0 HG13 ILE A 82 -10.076 -11.266 0.308 1.00 73.14 H new ATOM 0 HG21 ILE A 82 -8.110 -8.455 -1.207 1.00 53.41 H new ATOM 0 HG22 ILE A 82 -6.568 -9.338 -1.311 1.00 53.41 H new ATOM 0 HG23 ILE A 82 -7.896 -9.732 -2.429 1.00 53.41 H new ATOM 0 HD11 ILE A 82 -11.554 -9.431 -0.323 1.00 0.52 H new ATOM 0 HD12 ILE A 82 -10.229 -8.837 0.707 1.00 0.52 H new ATOM 0 HD13 ILE A 82 -10.184 -8.556 -1.050 1.00 0.52 H new ATOM 1331 N ILE A 83 -5.435 -11.641 0.558 1.00 1.42 N ATOM 1332 CA ILE A 83 -3.961 -11.674 0.770 1.00 5.34 C ATOM 1333 C ILE A 83 -3.336 -12.934 0.134 1.00 32.04 C ATOM 1334 O ILE A 83 -2.356 -12.841 -0.611 1.00 51.33 O ATOM 1335 CB ILE A 83 -3.605 -11.594 2.318 1.00 74.11 C ATOM 1336 CG1 ILE A 83 -3.856 -10.155 2.866 1.00 45.23 C ATOM 1337 CG2 ILE A 83 -2.161 -12.066 2.658 1.00 10.42 C ATOM 1338 CD1 ILE A 83 -2.971 -9.057 2.258 1.00 4.52 C ATOM 0 H ILE A 83 -5.966 -11.475 1.413 1.00 1.42 H new ATOM 0 HA ILE A 83 -3.537 -10.799 0.277 1.00 5.34 H new ATOM 0 HB ILE A 83 -4.274 -12.296 2.816 1.00 74.11 H new ATOM 0 HG12 ILE A 83 -4.900 -9.895 2.692 1.00 45.23 H new ATOM 0 HG13 ILE A 83 -3.705 -10.164 3.945 1.00 45.23 H new ATOM 0 HG21 ILE A 83 -1.994 -11.982 3.732 1.00 10.42 H new ATOM 0 HG22 ILE A 83 -2.036 -13.105 2.352 1.00 10.42 H new ATOM 0 HG23 ILE A 83 -1.440 -11.443 2.129 1.00 10.42 H new ATOM 0 HD11 ILE A 83 -3.224 -8.096 2.706 1.00 4.52 H new ATOM 0 HD12 ILE A 83 -1.923 -9.284 2.455 1.00 4.52 H new ATOM 0 HD13 ILE A 83 -3.137 -9.011 1.182 1.00 4.52 H new ATOM 1350 N GLU A 84 -3.965 -14.094 0.396 1.00 51.04 N ATOM 1351 CA GLU A 84 -3.489 -15.409 -0.058 1.00 24.54 C ATOM 1352 C GLU A 84 -3.529 -15.515 -1.596 1.00 14.44 C ATOM 1353 O GLU A 84 -2.626 -16.097 -2.211 1.00 12.14 O ATOM 1354 CB GLU A 84 -4.341 -16.530 0.589 1.00 24.44 C ATOM 1355 CG GLU A 84 -3.919 -17.948 0.192 1.00 40.03 C ATOM 1356 CD GLU A 84 -4.764 -19.038 0.858 1.00 4.21 C ATOM 1357 OE1 GLU A 84 -5.568 -19.708 0.169 1.00 64.52 O ATOM 1358 OE2 GLU A 84 -4.640 -19.217 2.090 1.00 54.34 O ATOM 0 H GLU A 84 -4.829 -14.143 0.936 1.00 51.04 H new ATOM 0 HA GLU A 84 -2.451 -15.527 0.255 1.00 24.54 H new ATOM 0 HB2 GLU A 84 -4.282 -16.436 1.673 1.00 24.44 H new ATOM 0 HB3 GLU A 84 -5.385 -16.383 0.312 1.00 24.44 H new ATOM 0 HG2 GLU A 84 -3.991 -18.052 -0.891 1.00 40.03 H new ATOM 0 HG3 GLU A 84 -2.872 -18.096 0.457 1.00 40.03 H new ATOM 1365 N SER A 85 -4.586 -14.942 -2.200 1.00 53.42 N ATOM 1366 CA SER A 85 -4.741 -14.880 -3.661 1.00 62.33 C ATOM 1367 C SER A 85 -3.619 -14.039 -4.290 1.00 72.11 C ATOM 1368 O SER A 85 -3.066 -14.395 -5.338 1.00 52.21 O ATOM 1369 CB SER A 85 -6.122 -14.303 -4.040 1.00 51.31 C ATOM 1370 OG SER A 85 -7.181 -15.114 -3.550 1.00 72.40 O ATOM 0 H SER A 85 -5.355 -14.510 -1.688 1.00 53.42 H new ATOM 0 HA SER A 85 -4.673 -15.895 -4.052 1.00 62.33 H new ATOM 0 HB2 SER A 85 -6.219 -13.295 -3.637 1.00 51.31 H new ATOM 0 HB3 SER A 85 -6.198 -14.221 -5.124 1.00 51.31 H new ATOM 0 HG SER A 85 -7.250 -15.010 -2.578 1.00 72.40 H new ATOM 1376 N ILE A 86 -3.283 -12.930 -3.628 1.00 5.40 N ATOM 1377 CA ILE A 86 -2.220 -12.026 -4.075 1.00 14.54 C ATOM 1378 C ILE A 86 -0.832 -12.700 -3.940 1.00 30.13 C ATOM 1379 O ILE A 86 0.076 -12.409 -4.720 1.00 15.11 O ATOM 1380 CB ILE A 86 -2.300 -10.653 -3.299 1.00 1.55 C ATOM 1381 CG1 ILE A 86 -3.697 -9.971 -3.526 1.00 61.20 C ATOM 1382 CG2 ILE A 86 -1.151 -9.696 -3.678 1.00 40.30 C ATOM 1383 CD1 ILE A 86 -4.117 -9.785 -4.989 1.00 1.34 C ATOM 0 H ILE A 86 -3.740 -12.633 -2.766 1.00 5.40 H new ATOM 0 HA ILE A 86 -2.364 -11.807 -5.133 1.00 14.54 H new ATOM 0 HB ILE A 86 -2.187 -10.876 -2.238 1.00 1.55 H new ATOM 0 HG12 ILE A 86 -4.458 -10.567 -3.022 1.00 61.20 H new ATOM 0 HG13 ILE A 86 -3.686 -8.994 -3.043 1.00 61.20 H new ATOM 0 HG21 ILE A 86 -1.252 -8.767 -3.117 1.00 40.30 H new ATOM 0 HG22 ILE A 86 -0.195 -10.162 -3.439 1.00 40.30 H new ATOM 0 HG23 ILE A 86 -1.193 -9.482 -4.746 1.00 40.30 H new ATOM 0 HD11 ILE A 86 -5.095 -9.306 -5.029 1.00 1.34 H new ATOM 0 HD12 ILE A 86 -3.386 -9.160 -5.501 1.00 1.34 H new ATOM 0 HD13 ILE A 86 -4.169 -10.757 -5.479 1.00 1.34 H new ATOM 1395 N ARG A 87 -0.701 -13.638 -2.977 1.00 41.21 N ATOM 1396 CA ARG A 87 0.541 -14.419 -2.774 1.00 54.22 C ATOM 1397 C ARG A 87 0.696 -15.545 -3.814 1.00 65.42 C ATOM 1398 O ARG A 87 1.800 -15.787 -4.302 1.00 14.12 O ATOM 1399 CB ARG A 87 0.601 -15.019 -1.348 1.00 73.32 C ATOM 1400 CG ARG A 87 0.580 -13.979 -0.211 1.00 21.25 C ATOM 1401 CD ARG A 87 0.798 -14.602 1.180 1.00 33.44 C ATOM 1402 NE ARG A 87 -0.148 -15.697 1.472 1.00 53.53 N ATOM 1403 CZ ARG A 87 -0.496 -16.124 2.697 1.00 1.34 C ATOM 1404 NH1 ARG A 87 0.002 -15.563 3.796 1.00 2.12 N ATOM 1405 NH2 ARG A 87 -1.324 -17.147 2.808 1.00 0.11 N ATOM 0 H ARG A 87 -1.447 -13.875 -2.322 1.00 41.21 H new ATOM 0 HA ARG A 87 1.368 -13.720 -2.903 1.00 54.22 H new ATOM 0 HB2 ARG A 87 -0.243 -15.697 -1.218 1.00 73.32 H new ATOM 0 HB3 ARG A 87 1.508 -15.617 -1.258 1.00 73.32 H new ATOM 0 HG2 ARG A 87 1.354 -13.233 -0.394 1.00 21.25 H new ATOM 0 HG3 ARG A 87 -0.376 -13.456 -0.223 1.00 21.25 H new ATOM 0 HD2 ARG A 87 1.818 -14.982 1.247 1.00 33.44 H new ATOM 0 HD3 ARG A 87 0.696 -13.827 1.940 1.00 33.44 H new ATOM 0 HE ARG A 87 -0.574 -16.170 0.675 1.00 53.53 H new ATOM 0 HH11 ARG A 87 0.664 -14.791 3.719 1.00 2.12 H new ATOM 0 HH12 ARG A 87 -0.278 -15.905 4.715 1.00 2.12 H new ATOM 0 HH21 ARG A 87 -1.689 -17.601 1.971 1.00 0.11 H new ATOM 0 HH22 ARG A 87 -1.598 -17.483 3.731 1.00 0.11 H new ATOM 1419 N LYS A 88 -0.408 -16.257 -4.136 1.00 64.05 N ATOM 1420 CA LYS A 88 -0.365 -17.414 -5.070 1.00 30.34 C ATOM 1421 C LYS A 88 -0.107 -16.942 -6.514 1.00 75.13 C ATOM 1422 O LYS A 88 0.514 -17.659 -7.309 1.00 71.04 O ATOM 1423 CB LYS A 88 -1.663 -18.275 -4.973 1.00 52.22 C ATOM 1424 CG LYS A 88 -2.960 -17.561 -5.404 1.00 3.34 C ATOM 1425 CD LYS A 88 -4.276 -18.298 -5.026 1.00 31.44 C ATOM 1426 CE LYS A 88 -4.614 -19.510 -5.911 1.00 53.24 C ATOM 1427 NZ LYS A 88 -3.724 -20.675 -5.694 1.00 4.15 N ATOM 0 H LYS A 88 -1.337 -16.055 -3.767 1.00 64.05 H new ATOM 0 HA LYS A 88 0.467 -18.053 -4.774 1.00 30.34 H new ATOM 0 HB2 LYS A 88 -1.536 -19.165 -5.589 1.00 52.22 H new ATOM 0 HB3 LYS A 88 -1.779 -18.614 -3.943 1.00 52.22 H new ATOM 0 HG2 LYS A 88 -2.976 -16.568 -4.955 1.00 3.34 H new ATOM 0 HG3 LYS A 88 -2.938 -17.422 -6.485 1.00 3.34 H new ATOM 0 HD2 LYS A 88 -4.205 -18.631 -3.990 1.00 31.44 H new ATOM 0 HD3 LYS A 88 -5.101 -17.588 -5.077 1.00 31.44 H new ATOM 0 HE2 LYS A 88 -5.644 -19.811 -5.721 1.00 53.24 H new ATOM 0 HE3 LYS A 88 -4.557 -19.211 -6.958 1.00 53.24 H new ATOM 0 HZ1 LYS A 88 -4.262 -21.554 -5.836 1.00 4.15 H new ATOM 0 HZ2 LYS A 88 -2.934 -20.639 -6.370 1.00 4.15 H new ATOM 0 HZ3 LYS A 88 -3.351 -20.651 -4.724 1.00 4.15 H new ATOM 1441 N GLN A 89 -0.595 -15.731 -6.839 1.00 41.03 N ATOM 1442 CA GLN A 89 -0.294 -15.062 -8.115 1.00 55.12 C ATOM 1443 C GLN A 89 1.121 -14.452 -8.080 1.00 74.35 C ATOM 1444 O GLN A 89 1.950 -14.721 -8.954 1.00 33.14 O ATOM 1445 CB GLN A 89 -1.346 -13.962 -8.400 1.00 24.45 C ATOM 1446 CG GLN A 89 -2.790 -14.478 -8.545 1.00 44.55 C ATOM 1447 CD GLN A 89 -3.811 -13.346 -8.691 1.00 20.33 C ATOM 1448 OE1 GLN A 89 -4.125 -12.911 -9.796 1.00 63.23 O ATOM 1449 NE2 GLN A 89 -4.314 -12.846 -7.569 1.00 43.22 N ATOM 0 H GLN A 89 -1.207 -15.192 -6.226 1.00 41.03 H new ATOM 0 HA GLN A 89 -0.333 -15.801 -8.915 1.00 55.12 H new ATOM 0 HB2 GLN A 89 -1.315 -13.230 -7.593 1.00 24.45 H new ATOM 0 HB3 GLN A 89 -1.067 -13.439 -9.315 1.00 24.45 H new ATOM 0 HG2 GLN A 89 -2.852 -15.132 -9.415 1.00 44.55 H new ATOM 0 HG3 GLN A 89 -3.045 -15.081 -7.674 1.00 44.55 H new ATOM 0 HE21 GLN A 89 -4.032 -13.231 -6.668 1.00 43.22 H new ATOM 0 HE22 GLN A 89 -4.983 -12.077 -7.608 1.00 43.22 H new ATOM 1458 N TYR A 90 1.384 -13.637 -7.042 1.00 33.45 N ATOM 1459 CA TYR A 90 2.650 -12.894 -6.879 1.00 25.20 C ATOM 1460 C TYR A 90 3.298 -13.296 -5.527 1.00 23.35 C ATOM 1461 O TYR A 90 2.896 -12.791 -4.487 1.00 13.44 O ATOM 1462 CB TYR A 90 2.399 -11.347 -6.921 1.00 55.31 C ATOM 1463 CG TYR A 90 1.333 -10.866 -7.928 1.00 13.01 C ATOM 1464 CD1 TYR A 90 1.645 -10.644 -9.271 1.00 30.02 C ATOM 1465 CD2 TYR A 90 0.014 -10.618 -7.521 1.00 14.55 C ATOM 1466 CE1 TYR A 90 0.692 -10.192 -10.165 1.00 40.34 C ATOM 1467 CE2 TYR A 90 -0.941 -10.172 -8.414 1.00 74.40 C ATOM 1468 CZ TYR A 90 -0.597 -9.959 -9.733 1.00 33.24 C ATOM 1469 OH TYR A 90 -1.549 -9.498 -10.621 1.00 14.05 O ATOM 0 H TYR A 90 0.719 -13.473 -6.286 1.00 33.45 H new ATOM 0 HA TYR A 90 3.321 -13.145 -7.700 1.00 25.20 H new ATOM 0 HB2 TYR A 90 2.104 -11.019 -5.924 1.00 55.31 H new ATOM 0 HB3 TYR A 90 3.341 -10.851 -7.154 1.00 55.31 H new ATOM 0 HD1 TYR A 90 2.651 -10.829 -9.618 1.00 30.02 H new ATOM 0 HD2 TYR A 90 -0.261 -10.779 -6.489 1.00 14.55 H new ATOM 0 HE1 TYR A 90 0.956 -10.022 -11.198 1.00 40.34 H new ATOM 0 HE2 TYR A 90 -1.952 -9.991 -8.081 1.00 74.40 H new ATOM 0 HH TYR A 90 -2.353 -10.055 -10.557 1.00 14.05 H new ATOM 1479 N PRO A 91 4.263 -14.260 -5.499 1.00 13.41 N ATOM 1480 CA PRO A 91 4.979 -14.628 -4.240 1.00 3.54 C ATOM 1481 C PRO A 91 6.006 -13.553 -3.792 1.00 4.02 C ATOM 1482 O PRO A 91 6.441 -13.535 -2.633 1.00 65.15 O ATOM 1483 CB PRO A 91 5.665 -15.966 -4.618 1.00 2.35 C ATOM 1484 CG PRO A 91 5.879 -15.879 -6.099 1.00 52.34 C ATOM 1485 CD PRO A 91 4.700 -15.102 -6.649 1.00 54.15 C ATOM 0 HA PRO A 91 4.309 -14.709 -3.384 1.00 3.54 H new ATOM 0 HB2 PRO A 91 6.609 -16.090 -4.088 1.00 2.35 H new ATOM 0 HB3 PRO A 91 5.039 -16.819 -4.358 1.00 2.35 H new ATOM 0 HG2 PRO A 91 6.818 -15.376 -6.328 1.00 52.34 H new ATOM 0 HG3 PRO A 91 5.933 -16.873 -6.544 1.00 52.34 H new ATOM 0 HD2 PRO A 91 4.987 -14.492 -7.505 1.00 54.15 H new ATOM 0 HD3 PRO A 91 3.904 -15.767 -6.984 1.00 54.15 H new ATOM 1493 N LYS A 92 6.388 -12.667 -4.738 1.00 30.10 N ATOM 1494 CA LYS A 92 7.445 -11.653 -4.543 1.00 30.13 C ATOM 1495 C LYS A 92 6.945 -10.375 -3.838 1.00 1.42 C ATOM 1496 O LYS A 92 7.763 -9.578 -3.370 1.00 12.03 O ATOM 1497 CB LYS A 92 8.059 -11.290 -5.929 1.00 1.12 C ATOM 1498 CG LYS A 92 8.583 -12.481 -6.791 1.00 54.33 C ATOM 1499 CD LYS A 92 9.850 -13.192 -6.230 1.00 52.41 C ATOM 1500 CE LYS A 92 9.555 -14.292 -5.188 1.00 33.31 C ATOM 1501 NZ LYS A 92 10.802 -14.877 -4.636 1.00 33.25 N ATOM 0 H LYS A 92 5.967 -12.636 -5.666 1.00 30.10 H new ATOM 0 HA LYS A 92 8.197 -12.090 -3.886 1.00 30.13 H new ATOM 0 HB2 LYS A 92 7.305 -10.756 -6.507 1.00 1.12 H new ATOM 0 HB3 LYS A 92 8.885 -10.598 -5.766 1.00 1.12 H new ATOM 0 HG2 LYS A 92 7.785 -13.217 -6.889 1.00 54.33 H new ATOM 0 HG3 LYS A 92 8.804 -12.115 -7.793 1.00 54.33 H new ATOM 0 HD2 LYS A 92 10.402 -13.633 -7.060 1.00 52.41 H new ATOM 0 HD3 LYS A 92 10.501 -12.444 -5.777 1.00 52.41 H new ATOM 0 HE2 LYS A 92 8.960 -13.874 -4.377 1.00 33.31 H new ATOM 0 HE3 LYS A 92 8.958 -15.079 -5.649 1.00 33.31 H new ATOM 0 HZ1 LYS A 92 10.562 -15.612 -3.940 1.00 33.25 H new ATOM 0 HZ2 LYS A 92 11.359 -15.299 -5.407 1.00 33.25 H new ATOM 0 HZ3 LYS A 92 11.360 -14.131 -4.174 1.00 33.25 H new ATOM 1515 N VAL A 93 5.620 -10.172 -3.787 1.00 64.41 N ATOM 1516 CA VAL A 93 5.017 -8.972 -3.155 1.00 44.04 C ATOM 1517 C VAL A 93 4.973 -9.128 -1.618 1.00 43.11 C ATOM 1518 O VAL A 93 4.789 -10.244 -1.100 1.00 13.53 O ATOM 1519 CB VAL A 93 3.570 -8.688 -3.729 1.00 62.05 C ATOM 1520 CG1 VAL A 93 2.618 -9.874 -3.497 1.00 43.14 C ATOM 1521 CG2 VAL A 93 2.958 -7.381 -3.166 1.00 10.12 C ATOM 0 H VAL A 93 4.937 -10.822 -4.176 1.00 64.41 H new ATOM 0 HA VAL A 93 5.647 -8.116 -3.397 1.00 44.04 H new ATOM 0 HB VAL A 93 3.692 -8.557 -4.804 1.00 62.05 H new ATOM 0 HG11 VAL A 93 1.636 -9.638 -3.906 1.00 43.14 H new ATOM 0 HG12 VAL A 93 3.014 -10.760 -3.993 1.00 43.14 H new ATOM 0 HG13 VAL A 93 2.529 -10.065 -2.428 1.00 43.14 H new ATOM 0 HG21 VAL A 93 1.965 -7.232 -3.591 1.00 10.12 H new ATOM 0 HG22 VAL A 93 2.881 -7.453 -2.081 1.00 10.12 H new ATOM 0 HG23 VAL A 93 3.596 -6.537 -3.430 1.00 10.12 H new ATOM 1531 N GLU A 94 5.188 -8.007 -0.895 1.00 75.20 N ATOM 1532 CA GLU A 94 4.960 -7.947 0.553 1.00 1.41 C ATOM 1533 C GLU A 94 3.451 -7.863 0.803 1.00 23.33 C ATOM 1534 O GLU A 94 2.811 -6.900 0.396 1.00 14.12 O ATOM 1535 CB GLU A 94 5.682 -6.716 1.183 1.00 14.11 C ATOM 1536 CG GLU A 94 7.212 -6.726 1.048 1.00 54.31 C ATOM 1537 CD GLU A 94 7.872 -7.920 1.761 1.00 25.34 C ATOM 1538 OE1 GLU A 94 8.312 -8.866 1.090 1.00 41.20 O ATOM 1539 OE2 GLU A 94 7.941 -7.931 3.003 1.00 74.24 O ATOM 0 H GLU A 94 5.521 -7.132 -1.299 1.00 75.20 H new ATOM 0 HA GLU A 94 5.369 -8.842 1.021 1.00 1.41 H new ATOM 0 HB2 GLU A 94 5.296 -5.809 0.717 1.00 14.11 H new ATOM 0 HB3 GLU A 94 5.425 -6.665 2.241 1.00 14.11 H new ATOM 0 HG2 GLU A 94 7.478 -6.749 -0.009 1.00 54.31 H new ATOM 0 HG3 GLU A 94 7.613 -5.799 1.457 1.00 54.31 H new ATOM 1546 N THR A 95 2.889 -8.900 1.420 1.00 73.32 N ATOM 1547 CA THR A 95 1.457 -8.978 1.753 1.00 14.25 C ATOM 1548 C THR A 95 1.288 -9.134 3.267 1.00 71.11 C ATOM 1549 O THR A 95 2.102 -9.799 3.926 1.00 53.41 O ATOM 1550 CB THR A 95 0.790 -10.181 1.011 1.00 25.34 C ATOM 1551 OG1 THR A 95 1.656 -11.320 1.090 1.00 14.10 O ATOM 1552 CG2 THR A 95 0.486 -9.875 -0.465 1.00 54.53 C ATOM 0 H THR A 95 3.417 -9.724 1.709 1.00 73.32 H new ATOM 0 HA THR A 95 0.968 -8.059 1.430 1.00 14.25 H new ATOM 0 HB THR A 95 -0.162 -10.380 1.502 1.00 25.34 H new ATOM 0 HG1 THR A 95 2.263 -11.323 0.321 1.00 14.10 H new ATOM 0 HG21 THR A 95 0.024 -10.746 -0.929 1.00 54.53 H new ATOM 0 HG22 THR A 95 -0.195 -9.026 -0.528 1.00 54.53 H new ATOM 0 HG23 THR A 95 1.413 -9.636 -0.985 1.00 54.53 H new ATOM 1560 N ARG A 96 0.233 -8.511 3.809 1.00 63.22 N ATOM 1561 CA ARG A 96 -0.071 -8.567 5.239 1.00 31.25 C ATOM 1562 C ARG A 96 -1.545 -8.218 5.480 1.00 63.03 C ATOM 1563 O ARG A 96 -2.058 -7.229 4.932 1.00 20.24 O ATOM 1564 CB ARG A 96 0.870 -7.611 6.016 1.00 22.33 C ATOM 1565 CG ARG A 96 0.540 -7.434 7.514 1.00 62.12 C ATOM 1566 CD ARG A 96 1.568 -6.563 8.255 1.00 4.23 C ATOM 1567 NE ARG A 96 1.081 -6.135 9.574 1.00 23.33 N ATOM 1568 CZ ARG A 96 1.810 -5.527 10.521 1.00 43.00 C ATOM 1569 NH1 ARG A 96 3.111 -5.281 10.345 1.00 70.35 N ATOM 1570 NH2 ARG A 96 1.205 -5.113 11.619 1.00 63.42 N ATOM 0 H ARG A 96 -0.430 -7.956 3.267 1.00 63.22 H new ATOM 0 HA ARG A 96 0.097 -9.580 5.605 1.00 31.25 H new ATOM 0 HB2 ARG A 96 1.891 -7.981 5.927 1.00 22.33 H new ATOM 0 HB3 ARG A 96 0.843 -6.632 5.537 1.00 22.33 H new ATOM 0 HG2 ARG A 96 -0.448 -6.984 7.612 1.00 62.12 H new ATOM 0 HG3 ARG A 96 0.493 -8.414 7.989 1.00 62.12 H new ATOM 0 HD2 ARG A 96 2.496 -7.122 8.375 1.00 4.23 H new ATOM 0 HD3 ARG A 96 1.800 -5.685 7.652 1.00 4.23 H new ATOM 0 HE ARG A 96 0.100 -6.317 9.788 1.00 23.33 H new ATOM 0 HH11 ARG A 96 3.569 -5.557 9.477 1.00 70.35 H new ATOM 0 HH12 ARG A 96 3.646 -4.817 11.079 1.00 70.35 H new ATOM 0 HH21 ARG A 96 0.202 -5.258 11.734 1.00 63.42 H new ATOM 0 HH22 ARG A 96 1.741 -4.648 12.352 1.00 63.42 H new ATOM 1584 N ARG A 97 -2.226 -9.075 6.266 1.00 34.51 N ATOM 1585 CA ARG A 97 -3.563 -8.787 6.794 1.00 14.03 C ATOM 1586 C ARG A 97 -3.506 -7.542 7.702 1.00 0.25 C ATOM 1587 O ARG A 97 -2.644 -7.459 8.581 1.00 33.11 O ATOM 1588 CB ARG A 97 -4.098 -10.001 7.604 1.00 5.31 C ATOM 1589 CG ARG A 97 -5.418 -9.724 8.373 1.00 21.02 C ATOM 1590 CD ARG A 97 -5.752 -10.824 9.395 1.00 14.21 C ATOM 1591 NE ARG A 97 -4.627 -11.082 10.319 1.00 63.43 N ATOM 1592 CZ ARG A 97 -4.485 -12.177 11.087 1.00 75.00 C ATOM 1593 NH1 ARG A 97 -5.401 -13.144 11.079 1.00 23.11 N ATOM 1594 NH2 ARG A 97 -3.414 -12.297 11.862 1.00 31.41 N ATOM 0 H ARG A 97 -1.860 -9.984 6.549 1.00 34.51 H new ATOM 0 HA ARG A 97 -4.237 -8.597 5.958 1.00 14.03 H new ATOM 0 HB2 ARG A 97 -4.257 -10.836 6.922 1.00 5.31 H new ATOM 0 HB3 ARG A 97 -3.334 -10.312 8.317 1.00 5.31 H new ATOM 0 HG2 ARG A 97 -5.339 -8.767 8.888 1.00 21.02 H new ATOM 0 HG3 ARG A 97 -6.237 -9.636 7.660 1.00 21.02 H new ATOM 0 HD2 ARG A 97 -6.632 -10.531 9.968 1.00 14.21 H new ATOM 0 HD3 ARG A 97 -6.006 -11.744 8.868 1.00 14.21 H new ATOM 0 HE ARG A 97 -3.898 -10.371 10.379 1.00 63.43 H new ATOM 0 HH11 ARG A 97 -6.225 -13.061 10.484 1.00 23.11 H new ATOM 0 HH12 ARG A 97 -5.278 -13.968 11.668 1.00 23.11 H new ATOM 0 HH21 ARG A 97 -2.707 -11.562 11.872 1.00 31.41 H new ATOM 0 HH22 ARG A 97 -3.298 -13.124 12.448 1.00 31.41 H new ATOM 1608 N ALA A 98 -4.410 -6.585 7.469 1.00 23.53 N ATOM 1609 CA ALA A 98 -4.573 -5.400 8.322 1.00 40.41 C ATOM 1610 C ALA A 98 -6.057 -5.020 8.312 1.00 12.22 C ATOM 1611 O ALA A 98 -6.554 -4.551 7.296 1.00 55.30 O ATOM 1612 CB ALA A 98 -3.681 -4.249 7.807 1.00 13.43 C ATOM 0 H ALA A 98 -5.054 -6.610 6.678 1.00 23.53 H new ATOM 0 HA ALA A 98 -4.261 -5.608 9.346 1.00 40.41 H new ATOM 0 HB1 ALA A 98 -3.809 -3.375 8.446 1.00 13.43 H new ATOM 0 HB2 ALA A 98 -2.637 -4.562 7.825 1.00 13.43 H new ATOM 0 HB3 ALA A 98 -3.966 -3.996 6.786 1.00 13.43 H new ATOM 1618 N GLN A 99 -6.771 -5.280 9.420 1.00 15.11 N ATOM 1619 CA GLN A 99 -8.233 -5.050 9.500 1.00 52.03 C ATOM 1620 C GLN A 99 -8.540 -3.643 10.020 1.00 44.13 C ATOM 1621 O GLN A 99 -9.314 -2.899 9.400 1.00 15.23 O ATOM 1622 CB GLN A 99 -8.912 -6.134 10.382 1.00 34.33 C ATOM 1623 CG GLN A 99 -8.863 -7.551 9.769 1.00 62.21 C ATOM 1624 CD GLN A 99 -9.563 -8.628 10.602 1.00 75.10 C ATOM 1625 OE1 GLN A 99 -10.506 -8.357 11.352 1.00 64.01 O ATOM 1626 NE2 GLN A 99 -9.124 -9.870 10.452 1.00 11.45 N ATOM 0 H GLN A 99 -6.363 -5.651 10.278 1.00 15.11 H new ATOM 0 HA GLN A 99 -8.644 -5.128 8.494 1.00 52.03 H new ATOM 0 HB2 GLN A 99 -8.427 -6.153 11.358 1.00 34.33 H new ATOM 0 HB3 GLN A 99 -9.952 -5.855 10.549 1.00 34.33 H new ATOM 0 HG2 GLN A 99 -9.320 -7.521 8.780 1.00 62.21 H new ATOM 0 HG3 GLN A 99 -7.820 -7.837 9.630 1.00 62.21 H new ATOM 0 HE21 GLN A 99 -8.343 -10.063 9.825 1.00 11.45 H new ATOM 0 HE22 GLN A 99 -9.567 -10.633 10.964 1.00 11.45 H new ATOM 1635 N ASP A 100 -7.939 -3.288 11.166 1.00 10.15 N ATOM 1636 CA ASP A 100 -8.139 -1.975 11.794 1.00 61.24 C ATOM 1637 C ASP A 100 -7.047 -0.993 11.342 1.00 10.11 C ATOM 1638 O ASP A 100 -5.937 -1.405 10.994 1.00 12.04 O ATOM 1639 CB ASP A 100 -8.157 -2.099 13.342 1.00 52.13 C ATOM 1640 CG ASP A 100 -8.803 -0.872 14.010 1.00 75.52 C ATOM 1641 OD1 ASP A 100 -10.042 -0.853 14.164 1.00 42.53 O ATOM 1642 OD2 ASP A 100 -8.088 0.092 14.341 1.00 12.23 O ATOM 0 H ASP A 100 -7.305 -3.899 11.680 1.00 10.15 H new ATOM 0 HA ASP A 100 -9.107 -1.587 11.475 1.00 61.24 H new ATOM 0 HB2 ASP A 100 -8.704 -2.998 13.628 1.00 52.13 H new ATOM 0 HB3 ASP A 100 -7.137 -2.217 13.708 1.00 52.13 H new ATOM 1647 N LYS A 101 -7.384 0.302 11.372 1.00 63.12 N ATOM 1648 CA LYS A 101 -6.483 1.412 11.000 1.00 1.11 C ATOM 1649 C LYS A 101 -5.223 1.485 11.910 1.00 51.30 C ATOM 1650 O LYS A 101 -4.186 2.024 11.499 1.00 4.30 O ATOM 1651 CB LYS A 101 -7.297 2.732 11.009 1.00 40.23 C ATOM 1652 CG LYS A 101 -8.091 2.991 12.312 1.00 13.10 C ATOM 1653 CD LYS A 101 -8.989 4.244 12.225 1.00 20.21 C ATOM 1654 CE LYS A 101 -9.719 4.558 13.536 1.00 34.13 C ATOM 1655 NZ LYS A 101 -10.410 5.874 13.480 1.00 12.32 N ATOM 0 H LYS A 101 -8.309 0.620 11.661 1.00 63.12 H new ATOM 0 HA LYS A 101 -6.096 1.237 9.996 1.00 1.11 H new ATOM 0 HB2 LYS A 101 -6.614 3.565 10.843 1.00 40.23 H new ATOM 0 HB3 LYS A 101 -7.994 2.719 10.171 1.00 40.23 H new ATOM 0 HG2 LYS A 101 -8.709 2.121 12.535 1.00 13.10 H new ATOM 0 HG3 LYS A 101 -7.393 3.107 13.141 1.00 13.10 H new ATOM 0 HD2 LYS A 101 -8.378 5.102 11.943 1.00 20.21 H new ATOM 0 HD3 LYS A 101 -9.724 4.102 11.433 1.00 20.21 H new ATOM 0 HE2 LYS A 101 -10.447 3.774 13.744 1.00 34.13 H new ATOM 0 HE3 LYS A 101 -9.005 4.557 14.359 1.00 34.13 H new ATOM 0 HZ1 LYS A 101 -10.878 6.059 14.390 1.00 12.32 H new ATOM 0 HZ2 LYS A 101 -9.715 6.623 13.289 1.00 12.32 H new ATOM 0 HZ3 LYS A 101 -11.121 5.861 12.721 1.00 12.32 H new ATOM 1669 N GLU A 102 -5.328 0.925 13.135 1.00 13.34 N ATOM 1670 CA GLU A 102 -4.173 0.703 14.037 1.00 43.43 C ATOM 1671 C GLU A 102 -3.160 -0.244 13.382 1.00 74.24 C ATOM 1672 O GLU A 102 -1.960 0.037 13.315 1.00 21.11 O ATOM 1673 CB GLU A 102 -4.653 0.080 15.380 1.00 1.40 C ATOM 1674 CG GLU A 102 -5.557 0.979 16.235 1.00 72.25 C ATOM 1675 CD GLU A 102 -4.829 2.164 16.887 1.00 74.25 C ATOM 1676 OE1 GLU A 102 -5.002 3.316 16.445 1.00 44.11 O ATOM 1677 OE2 GLU A 102 -4.081 1.951 17.865 1.00 23.21 O ATOM 0 H GLU A 102 -6.216 0.613 13.528 1.00 13.34 H new ATOM 0 HA GLU A 102 -3.699 1.666 14.229 1.00 43.43 H new ATOM 0 HB2 GLU A 102 -5.189 -0.844 15.162 1.00 1.40 H new ATOM 0 HB3 GLU A 102 -3.777 -0.191 15.969 1.00 1.40 H new ATOM 0 HG2 GLU A 102 -6.365 1.362 15.611 1.00 72.25 H new ATOM 0 HG3 GLU A 102 -6.017 0.375 17.017 1.00 72.25 H new ATOM 1684 N GLU A 103 -3.685 -1.381 12.916 1.00 4.33 N ATOM 1685 CA GLU A 103 -2.893 -2.453 12.292 1.00 63.04 C ATOM 1686 C GLU A 103 -2.282 -1.999 10.947 1.00 24.40 C ATOM 1687 O GLU A 103 -1.200 -2.461 10.566 1.00 12.10 O ATOM 1688 CB GLU A 103 -3.791 -3.699 12.101 1.00 21.03 C ATOM 1689 CG GLU A 103 -4.472 -4.207 13.390 1.00 61.40 C ATOM 1690 CD GLU A 103 -5.277 -5.505 13.175 1.00 22.25 C ATOM 1691 OE1 GLU A 103 -6.273 -5.480 12.430 1.00 62.43 O ATOM 1692 OE2 GLU A 103 -4.923 -6.558 13.747 1.00 4.30 O ATOM 0 H GLU A 103 -4.683 -1.588 12.960 1.00 4.33 H new ATOM 0 HA GLU A 103 -2.060 -2.703 12.949 1.00 63.04 H new ATOM 0 HB2 GLU A 103 -4.562 -3.465 11.367 1.00 21.03 H new ATOM 0 HB3 GLU A 103 -3.187 -4.505 11.684 1.00 21.03 H new ATOM 0 HG2 GLU A 103 -3.712 -4.379 14.152 1.00 61.40 H new ATOM 0 HG3 GLU A 103 -5.137 -3.433 13.772 1.00 61.40 H new ATOM 1699 N VAL A 104 -2.993 -1.093 10.242 1.00 71.43 N ATOM 1700 CA VAL A 104 -2.534 -0.545 8.953 1.00 44.41 C ATOM 1701 C VAL A 104 -1.318 0.374 9.157 1.00 72.04 C ATOM 1702 O VAL A 104 -0.283 0.175 8.525 1.00 45.10 O ATOM 1703 CB VAL A 104 -3.664 0.254 8.207 1.00 24.34 C ATOM 1704 CG1 VAL A 104 -3.170 0.798 6.842 1.00 30.10 C ATOM 1705 CG2 VAL A 104 -4.940 -0.601 8.036 1.00 0.11 C ATOM 0 H VAL A 104 -3.893 -0.725 10.549 1.00 71.43 H new ATOM 0 HA VAL A 104 -2.256 -1.398 8.334 1.00 44.41 H new ATOM 0 HB VAL A 104 -3.919 1.111 8.830 1.00 24.34 H new ATOM 0 HG11 VAL A 104 -3.977 1.345 6.355 1.00 30.10 H new ATOM 0 HG12 VAL A 104 -2.324 1.466 7.001 1.00 30.10 H new ATOM 0 HG13 VAL A 104 -2.861 -0.034 6.209 1.00 30.10 H new ATOM 0 HG21 VAL A 104 -5.701 -0.019 7.517 1.00 0.11 H new ATOM 0 HG22 VAL A 104 -4.705 -1.492 7.454 1.00 0.11 H new ATOM 0 HG23 VAL A 104 -5.315 -0.896 9.016 1.00 0.11 H new ATOM 1715 N LYS A 105 -1.456 1.376 10.053 1.00 13.21 N ATOM 1716 CA LYS A 105 -0.393 2.385 10.299 1.00 12.34 C ATOM 1717 C LYS A 105 0.869 1.725 10.895 1.00 33.20 C ATOM 1718 O LYS A 105 1.991 2.164 10.628 1.00 33.43 O ATOM 1719 CB LYS A 105 -0.905 3.530 11.223 1.00 21.25 C ATOM 1720 CG LYS A 105 -1.206 3.109 12.673 1.00 25.53 C ATOM 1721 CD LYS A 105 -1.779 4.247 13.541 1.00 43.22 C ATOM 1722 CE LYS A 105 -2.041 3.801 14.986 1.00 70.21 C ATOM 1723 NZ LYS A 105 -2.638 4.874 15.820 1.00 50.21 N ATOM 0 H LYS A 105 -2.293 1.511 10.620 1.00 13.21 H new ATOM 0 HA LYS A 105 -0.125 2.824 9.338 1.00 12.34 H new ATOM 0 HB2 LYS A 105 -0.160 4.325 11.239 1.00 21.25 H new ATOM 0 HB3 LYS A 105 -1.811 3.951 10.787 1.00 21.25 H new ATOM 0 HG2 LYS A 105 -1.914 2.280 12.662 1.00 25.53 H new ATOM 0 HG3 LYS A 105 -0.289 2.739 13.133 1.00 25.53 H new ATOM 0 HD2 LYS A 105 -1.083 5.086 13.542 1.00 43.22 H new ATOM 0 HD3 LYS A 105 -2.709 4.605 13.099 1.00 43.22 H new ATOM 0 HE2 LYS A 105 -2.708 2.939 14.980 1.00 70.21 H new ATOM 0 HE3 LYS A 105 -1.103 3.476 15.437 1.00 70.21 H new ATOM 0 HZ1 LYS A 105 -3.293 4.454 16.510 1.00 50.21 H new ATOM 0 HZ2 LYS A 105 -1.883 5.383 16.324 1.00 50.21 H new ATOM 0 HZ3 LYS A 105 -3.157 5.539 15.211 1.00 50.21 H new ATOM 1737 N ASP A 106 0.657 0.682 11.721 1.00 23.21 N ATOM 1738 CA ASP A 106 1.736 -0.161 12.266 1.00 62.42 C ATOM 1739 C ASP A 106 2.480 -0.909 11.144 1.00 62.14 C ATOM 1740 O ASP A 106 3.706 -0.997 11.158 1.00 71.42 O ATOM 1741 CB ASP A 106 1.143 -1.164 13.286 1.00 34.23 C ATOM 1742 CG ASP A 106 2.212 -2.034 13.971 1.00 41.22 C ATOM 1743 OD1 ASP A 106 2.820 -1.579 14.966 1.00 10.35 O ATOM 1744 OD2 ASP A 106 2.460 -3.169 13.511 1.00 53.04 O ATOM 0 H ASP A 106 -0.273 0.400 12.030 1.00 23.21 H new ATOM 0 HA ASP A 106 2.459 0.481 12.769 1.00 62.42 H new ATOM 0 HB2 ASP A 106 0.589 -0.614 14.047 1.00 34.23 H new ATOM 0 HB3 ASP A 106 0.429 -1.811 12.777 1.00 34.23 H new ATOM 1749 N ALA A 107 1.706 -1.435 10.180 1.00 13.10 N ATOM 1750 CA ALA A 107 2.238 -2.176 9.016 1.00 42.05 C ATOM 1751 C ALA A 107 3.050 -1.257 8.091 1.00 0.45 C ATOM 1752 O ALA A 107 4.047 -1.679 7.491 1.00 23.34 O ATOM 1753 CB ALA A 107 1.086 -2.831 8.246 1.00 72.11 C ATOM 0 H ALA A 107 0.689 -1.360 10.183 1.00 13.10 H new ATOM 0 HA ALA A 107 2.911 -2.952 9.382 1.00 42.05 H new ATOM 0 HB1 ALA A 107 1.484 -3.375 7.390 1.00 72.11 H new ATOM 0 HB2 ALA A 107 0.557 -3.523 8.902 1.00 72.11 H new ATOM 0 HB3 ALA A 107 0.397 -2.061 7.898 1.00 72.11 H new ATOM 1759 N VAL A 108 2.585 -0.004 7.975 1.00 41.43 N ATOM 1760 CA VAL A 108 3.269 1.045 7.211 1.00 33.34 C ATOM 1761 C VAL A 108 4.618 1.358 7.868 1.00 71.52 C ATOM 1762 O VAL A 108 5.665 1.203 7.231 1.00 42.43 O ATOM 1763 CB VAL A 108 2.381 2.344 7.092 1.00 62.44 C ATOM 1764 CG1 VAL A 108 3.160 3.532 6.467 1.00 74.23 C ATOM 1765 CG2 VAL A 108 1.089 2.047 6.291 1.00 24.33 C ATOM 0 H VAL A 108 1.718 0.310 8.412 1.00 41.43 H new ATOM 0 HA VAL A 108 3.442 0.683 6.198 1.00 33.34 H new ATOM 0 HB VAL A 108 2.105 2.643 8.103 1.00 62.44 H new ATOM 0 HG11 VAL A 108 2.507 4.403 6.406 1.00 74.23 H new ATOM 0 HG12 VAL A 108 4.023 3.768 7.089 1.00 74.23 H new ATOM 0 HG13 VAL A 108 3.497 3.260 5.467 1.00 74.23 H new ATOM 0 HG21 VAL A 108 0.489 2.954 6.219 1.00 24.33 H new ATOM 0 HG22 VAL A 108 1.352 1.705 5.290 1.00 24.33 H new ATOM 0 HG23 VAL A 108 0.516 1.272 6.800 1.00 24.33 H new ATOM 1775 N GLU A 109 4.562 1.736 9.169 1.00 64.13 N ATOM 1776 CA GLU A 109 5.753 2.026 10.007 1.00 33.55 C ATOM 1777 C GLU A 109 6.783 0.883 9.904 1.00 61.31 C ATOM 1778 O GLU A 109 7.982 1.121 9.790 1.00 5.30 O ATOM 1779 CB GLU A 109 5.328 2.196 11.496 1.00 43.34 C ATOM 1780 CG GLU A 109 6.486 2.500 12.474 1.00 34.43 C ATOM 1781 CD GLU A 109 6.114 2.286 13.954 1.00 13.33 C ATOM 1782 OE1 GLU A 109 6.044 1.117 14.401 1.00 44.15 O ATOM 1783 OE2 GLU A 109 5.882 3.276 14.679 1.00 64.42 O ATOM 0 H GLU A 109 3.681 1.849 9.671 1.00 64.13 H new ATOM 0 HA GLU A 109 6.207 2.949 9.645 1.00 33.55 H new ATOM 0 HB2 GLU A 109 4.597 3.002 11.560 1.00 43.34 H new ATOM 0 HB3 GLU A 109 4.827 1.285 11.822 1.00 43.34 H new ATOM 0 HG2 GLU A 109 7.336 1.865 12.226 1.00 34.43 H new ATOM 0 HG3 GLU A 109 6.807 3.532 12.334 1.00 34.43 H new ATOM 1790 N GLU A 110 6.264 -0.352 9.925 1.00 14.33 N ATOM 1791 CA GLU A 110 7.067 -1.581 9.872 1.00 72.32 C ATOM 1792 C GLU A 110 7.864 -1.647 8.548 1.00 4.41 C ATOM 1793 O GLU A 110 9.085 -1.777 8.553 1.00 60.55 O ATOM 1794 CB GLU A 110 6.138 -2.826 10.031 1.00 43.43 C ATOM 1795 CG GLU A 110 6.862 -4.153 10.319 1.00 71.24 C ATOM 1796 CD GLU A 110 7.552 -4.163 11.689 1.00 2.23 C ATOM 1797 OE1 GLU A 110 8.778 -3.982 11.760 1.00 5.14 O ATOM 1798 OE2 GLU A 110 6.856 -4.333 12.708 1.00 5.30 O ATOM 0 H GLU A 110 5.261 -0.528 9.980 1.00 14.33 H new ATOM 0 HA GLU A 110 7.783 -1.577 10.693 1.00 72.32 H new ATOM 0 HB2 GLU A 110 5.433 -2.632 10.840 1.00 43.43 H new ATOM 0 HB3 GLU A 110 5.552 -2.941 9.119 1.00 43.43 H new ATOM 0 HG2 GLU A 110 6.144 -4.972 10.272 1.00 71.24 H new ATOM 0 HG3 GLU A 110 7.604 -4.334 9.541 1.00 71.24 H new ATOM 1805 N PHE A 111 7.145 -1.480 7.423 1.00 1.11 N ATOM 1806 CA PHE A 111 7.718 -1.503 6.046 1.00 14.21 C ATOM 1807 C PHE A 111 8.817 -0.429 5.872 1.00 35.31 C ATOM 1808 O PHE A 111 9.774 -0.618 5.116 1.00 1.41 O ATOM 1809 CB PHE A 111 6.559 -1.279 5.034 1.00 62.11 C ATOM 1810 CG PHE A 111 6.865 -1.529 3.539 1.00 45.32 C ATOM 1811 CD1 PHE A 111 6.899 -2.825 3.020 1.00 24.55 C ATOM 1812 CD2 PHE A 111 7.043 -0.469 2.644 1.00 75.11 C ATOM 1813 CE1 PHE A 111 7.110 -3.048 1.668 1.00 62.34 C ATOM 1814 CE2 PHE A 111 7.262 -0.698 1.294 1.00 5.44 C ATOM 1815 CZ PHE A 111 7.285 -1.987 0.807 1.00 21.34 C ATOM 0 H PHE A 111 6.137 -1.323 7.434 1.00 1.11 H new ATOM 0 HA PHE A 111 8.191 -2.468 5.865 1.00 14.21 H new ATOM 0 HB2 PHE A 111 5.730 -1.926 5.322 1.00 62.11 H new ATOM 0 HB3 PHE A 111 6.212 -0.251 5.140 1.00 62.11 H new ATOM 0 HD1 PHE A 111 6.759 -3.667 3.682 1.00 24.55 H new ATOM 0 HD2 PHE A 111 7.009 0.546 3.011 1.00 75.11 H new ATOM 0 HE1 PHE A 111 7.137 -4.059 1.288 1.00 62.34 H new ATOM 0 HE2 PHE A 111 7.415 0.135 0.623 1.00 5.44 H new ATOM 0 HZ PHE A 111 7.440 -2.165 -0.247 1.00 21.34 H new ATOM 1825 N LEU A 112 8.652 0.691 6.593 1.00 42.22 N ATOM 1826 CA LEU A 112 9.588 1.829 6.568 1.00 42.31 C ATOM 1827 C LEU A 112 10.870 1.529 7.366 1.00 54.21 C ATOM 1828 O LEU A 112 11.978 1.730 6.855 1.00 11.01 O ATOM 1829 CB LEU A 112 8.876 3.085 7.130 1.00 40.05 C ATOM 1830 CG LEU A 112 7.576 3.493 6.378 1.00 52.51 C ATOM 1831 CD1 LEU A 112 6.797 4.590 7.124 1.00 11.24 C ATOM 1832 CD2 LEU A 112 7.885 3.893 4.928 1.00 2.24 C ATOM 0 H LEU A 112 7.858 0.835 7.216 1.00 42.22 H new ATOM 0 HA LEU A 112 9.889 2.009 5.536 1.00 42.31 H new ATOM 0 HB2 LEU A 112 8.632 2.908 8.178 1.00 40.05 H new ATOM 0 HB3 LEU A 112 9.573 3.923 7.102 1.00 40.05 H new ATOM 0 HG LEU A 112 6.925 2.619 6.349 1.00 52.51 H new ATOM 0 HD11 LEU A 112 5.898 4.843 6.563 1.00 11.24 H new ATOM 0 HD12 LEU A 112 6.518 4.229 8.114 1.00 11.24 H new ATOM 0 HD13 LEU A 112 7.423 5.476 7.225 1.00 11.24 H new ATOM 0 HD21 LEU A 112 6.961 4.174 4.423 1.00 2.24 H new ATOM 0 HD22 LEU A 112 8.573 4.738 4.923 1.00 2.24 H new ATOM 0 HD23 LEU A 112 8.341 3.051 4.408 1.00 2.24 H new ATOM 1844 N LYS A 113 10.703 1.045 8.621 1.00 3.34 N ATOM 1845 CA LYS A 113 11.829 0.769 9.550 1.00 11.40 C ATOM 1846 C LYS A 113 12.765 -0.307 8.978 1.00 50.40 C ATOM 1847 O LYS A 113 13.994 -0.168 9.013 1.00 62.32 O ATOM 1848 CB LYS A 113 11.310 0.296 10.944 1.00 12.25 C ATOM 1849 CG LYS A 113 10.461 1.318 11.719 1.00 40.24 C ATOM 1850 CD LYS A 113 10.015 0.840 13.133 1.00 25.15 C ATOM 1851 CE LYS A 113 9.131 -0.436 13.137 1.00 41.03 C ATOM 1852 NZ LYS A 113 9.908 -1.696 12.944 1.00 25.44 N ATOM 0 H LYS A 113 9.787 0.835 9.018 1.00 3.34 H new ATOM 0 HA LYS A 113 12.379 1.703 9.669 1.00 11.40 H new ATOM 0 HB2 LYS A 113 10.719 -0.609 10.804 1.00 12.25 H new ATOM 0 HB3 LYS A 113 12.168 0.024 11.558 1.00 12.25 H new ATOM 0 HG2 LYS A 113 11.031 2.241 11.823 1.00 40.24 H new ATOM 0 HG3 LYS A 113 9.574 1.555 11.132 1.00 40.24 H new ATOM 0 HD2 LYS A 113 10.904 0.652 13.735 1.00 25.15 H new ATOM 0 HD3 LYS A 113 9.466 1.647 13.618 1.00 25.15 H new ATOM 0 HE2 LYS A 113 8.591 -0.492 14.082 1.00 41.03 H new ATOM 0 HE3 LYS A 113 8.384 -0.354 12.348 1.00 41.03 H new ATOM 0 HZ1 LYS A 113 9.508 -2.232 12.148 1.00 25.44 H new ATOM 0 HZ2 LYS A 113 10.901 -1.464 12.741 1.00 25.44 H new ATOM 0 HZ3 LYS A 113 9.857 -2.271 13.809 1.00 25.44 H new ATOM 1866 N GLU A 114 12.156 -1.368 8.429 1.00 60.41 N ATOM 1867 CA GLU A 114 12.881 -2.544 7.909 1.00 23.01 C ATOM 1868 C GLU A 114 13.447 -2.278 6.490 1.00 34.15 C ATOM 1869 O GLU A 114 14.144 -3.131 5.927 1.00 72.10 O ATOM 1870 CB GLU A 114 11.954 -3.786 7.909 1.00 71.53 C ATOM 1871 CG GLU A 114 11.152 -4.025 9.206 1.00 3.23 C ATOM 1872 CD GLU A 114 11.999 -4.031 10.489 1.00 33.12 C ATOM 1873 OE1 GLU A 114 12.693 -5.037 10.759 1.00 30.12 O ATOM 1874 OE2 GLU A 114 11.969 -3.029 11.243 1.00 70.42 O ATOM 0 H GLU A 114 11.143 -1.438 8.331 1.00 60.41 H new ATOM 0 HA GLU A 114 13.728 -2.739 8.567 1.00 23.01 H new ATOM 0 HB2 GLU A 114 11.251 -3.691 7.082 1.00 71.53 H new ATOM 0 HB3 GLU A 114 12.561 -4.669 7.712 1.00 71.53 H new ATOM 0 HG2 GLU A 114 10.389 -3.252 9.294 1.00 3.23 H new ATOM 0 HG3 GLU A 114 10.631 -4.979 9.125 1.00 3.23 H new ATOM 1881 N GLY A 115 13.131 -1.093 5.923 1.00 23.02 N ATOM 1882 CA GLY A 115 13.725 -0.634 4.660 1.00 75.40 C ATOM 1883 C GLY A 115 13.065 -1.223 3.415 1.00 14.25 C ATOM 1884 O GLY A 115 13.682 -2.003 2.682 1.00 74.51 O ATOM 0 H GLY A 115 12.463 -0.437 6.328 1.00 23.02 H new ATOM 0 HA2 GLY A 115 13.660 0.453 4.614 1.00 75.40 H new ATOM 0 HA3 GLY A 115 14.784 -0.891 4.654 1.00 75.40 H new ATOM 1888 N GLY A 116 11.799 -0.845 3.185 1.00 63.20 N ATOM 1889 CA GLY A 116 11.075 -1.204 1.952 1.00 32.23 C ATOM 1890 C GLY A 116 10.660 -2.668 1.864 1.00 52.13 C ATOM 1891 O GLY A 116 10.437 -3.184 0.769 1.00 1.40 O ATOM 0 H GLY A 116 11.251 -0.287 3.840 1.00 63.20 H new ATOM 0 HA2 GLY A 116 10.183 -0.582 1.876 1.00 32.23 H new ATOM 0 HA3 GLY A 116 11.704 -0.966 1.094 1.00 32.23 H new ATOM 1895 N SER A 117 10.534 -3.331 3.016 1.00 42.42 N ATOM 1896 CA SER A 117 10.126 -4.742 3.091 1.00 1.41 C ATOM 1897 C SER A 117 9.753 -5.067 4.535 1.00 1.43 C ATOM 1898 O SER A 117 10.475 -4.681 5.439 1.00 40.20 O ATOM 1899 CB SER A 117 11.275 -5.674 2.609 1.00 62.31 C ATOM 1900 OG SER A 117 10.929 -7.048 2.714 1.00 64.10 O ATOM 0 H SER A 117 10.712 -2.907 3.926 1.00 42.42 H new ATOM 0 HA SER A 117 9.268 -4.906 2.440 1.00 1.41 H new ATOM 0 HB2 SER A 117 11.520 -5.441 1.573 1.00 62.31 H new ATOM 0 HB3 SER A 117 12.170 -5.480 3.200 1.00 62.31 H new ATOM 0 HG SER A 117 11.676 -7.598 2.400 1.00 64.10 H new ATOM 1906 N LEU A 118 8.615 -5.747 4.745 1.00 11.03 N ATOM 1907 CA LEU A 118 8.223 -6.251 6.076 1.00 42.21 C ATOM 1908 C LEU A 118 9.142 -7.417 6.485 1.00 34.15 C ATOM 1909 O LEU A 118 10.106 -7.236 7.236 1.00 13.14 O ATOM 1910 CB LEU A 118 6.756 -6.767 6.081 1.00 34.31 C ATOM 1911 CG LEU A 118 5.630 -5.762 5.763 1.00 2.14 C ATOM 1912 CD1 LEU A 118 4.271 -6.483 5.784 1.00 52.02 C ATOM 1913 CD2 LEU A 118 5.649 -4.568 6.733 1.00 33.42 C ATOM 0 H LEU A 118 7.945 -5.963 4.007 1.00 11.03 H new ATOM 0 HA LEU A 118 8.313 -5.422 6.778 1.00 42.21 H new ATOM 0 HB2 LEU A 118 6.687 -7.583 5.361 1.00 34.31 H new ATOM 0 HB3 LEU A 118 6.556 -7.192 7.065 1.00 34.31 H new ATOM 0 HG LEU A 118 5.796 -5.358 4.764 1.00 2.14 H new ATOM 0 HD11 LEU A 118 3.478 -5.770 5.559 1.00 52.02 H new ATOM 0 HD12 LEU A 118 4.269 -7.277 5.037 1.00 52.02 H new ATOM 0 HD13 LEU A 118 4.103 -6.914 6.771 1.00 52.02 H new ATOM 0 HD21 LEU A 118 4.842 -3.880 6.479 1.00 33.42 H new ATOM 0 HD22 LEU A 118 5.513 -4.926 7.754 1.00 33.42 H new ATOM 0 HD23 LEU A 118 6.605 -4.050 6.654 1.00 33.42 H new ATOM 1925 N GLU A 119 8.844 -8.596 5.894 1.00 53.35 N ATOM 1926 CA GLU A 119 9.301 -9.917 6.354 1.00 22.03 C ATOM 1927 C GLU A 119 8.488 -10.989 5.617 1.00 4.33 C ATOM 1928 O GLU A 119 7.249 -10.955 5.659 1.00 32.40 O ATOM 1929 CB GLU A 119 9.072 -10.066 7.891 1.00 63.44 C ATOM 1930 CG GLU A 119 9.393 -11.440 8.502 1.00 23.20 C ATOM 1931 CD GLU A 119 9.086 -11.483 10.008 1.00 51.04 C ATOM 1932 OE1 GLU A 119 7.971 -11.911 10.392 1.00 73.41 O ATOM 1933 OE2 GLU A 119 9.932 -11.039 10.816 1.00 12.25 O ATOM 0 H GLU A 119 8.261 -8.651 5.059 1.00 53.35 H new ATOM 0 HA GLU A 119 10.365 -10.029 6.147 1.00 22.03 H new ATOM 0 HB2 GLU A 119 9.677 -9.316 8.400 1.00 63.44 H new ATOM 0 HB3 GLU A 119 8.029 -9.833 8.105 1.00 63.44 H new ATOM 0 HG2 GLU A 119 8.813 -12.209 7.991 1.00 23.20 H new ATOM 0 HG3 GLU A 119 10.445 -11.673 8.339 1.00 23.20 H new ATOM 1940 N HIS A 120 9.162 -11.924 4.926 1.00 62.33 N ATOM 1941 CA HIS A 120 8.503 -13.136 4.415 1.00 51.23 C ATOM 1942 C HIS A 120 8.418 -14.148 5.566 1.00 31.52 C ATOM 1943 O HIS A 120 9.303 -15.001 5.725 1.00 51.34 O ATOM 1944 CB HIS A 120 9.235 -13.731 3.183 1.00 52.22 C ATOM 1945 CG HIS A 120 9.195 -12.851 1.950 1.00 52.34 C ATOM 1946 ND1 HIS A 120 8.246 -12.983 0.951 1.00 20.02 N ATOM 1947 CD2 HIS A 120 9.985 -11.818 1.565 1.00 75.33 C ATOM 1948 CE1 HIS A 120 8.461 -12.077 0.014 1.00 64.33 C ATOM 1949 NE2 HIS A 120 9.511 -11.354 0.361 1.00 43.21 N ATOM 0 H HIS A 120 10.157 -11.864 4.710 1.00 62.33 H new ATOM 0 HA HIS A 120 7.503 -12.883 4.064 1.00 51.23 H new ATOM 0 HB2 HIS A 120 10.276 -13.918 3.448 1.00 52.22 H new ATOM 0 HB3 HIS A 120 8.790 -14.696 2.941 1.00 52.22 H new ATOM 0 HD2 HIS A 120 10.834 -11.430 2.107 1.00 75.33 H new ATOM 0 HE1 HIS A 120 7.876 -11.949 -0.885 1.00 64.33 H new ATOM 0 HE2 HIS A 120 9.904 -10.581 -0.175 1.00 43.21 H new ATOM 1958 N HIS A 121 7.385 -13.969 6.420 1.00 51.00 N ATOM 1959 CA HIS A 121 7.122 -14.852 7.571 1.00 61.05 C ATOM 1960 C HIS A 121 6.788 -16.278 7.087 1.00 31.00 C ATOM 1961 O HIS A 121 5.628 -16.616 6.823 1.00 61.11 O ATOM 1962 CB HIS A 121 6.049 -14.256 8.541 1.00 33.24 C ATOM 1963 CG HIS A 121 4.716 -13.822 7.943 1.00 64.04 C ATOM 1964 ND1 HIS A 121 3.502 -14.092 8.546 1.00 14.13 N ATOM 1965 CD2 HIS A 121 4.421 -13.049 6.869 1.00 25.31 C ATOM 1966 CE1 HIS A 121 2.531 -13.503 7.872 1.00 21.25 C ATOM 1967 NE2 HIS A 121 3.060 -12.867 6.851 1.00 74.40 N ATOM 0 H HIS A 121 6.712 -13.208 6.328 1.00 51.00 H new ATOM 0 HA HIS A 121 8.032 -14.922 8.167 1.00 61.05 H new ATOM 0 HB2 HIS A 121 5.845 -14.999 9.312 1.00 33.24 H new ATOM 0 HB3 HIS A 121 6.490 -13.393 9.039 1.00 33.24 H new ATOM 0 HD2 HIS A 121 5.128 -12.649 6.157 1.00 25.31 H new ATOM 0 HE1 HIS A 121 1.480 -13.538 8.118 1.00 21.25 H new ATOM 0 HE2 HIS A 121 2.543 -12.326 6.158 1.00 74.40 H new ATOM 1976 N HIS A 122 7.863 -17.081 6.927 1.00 14.51 N ATOM 1977 CA HIS A 122 7.806 -18.399 6.284 1.00 34.12 C ATOM 1978 C HIS A 122 6.965 -19.392 7.108 1.00 12.34 C ATOM 1979 O HIS A 122 7.341 -19.788 8.213 1.00 4.22 O ATOM 1980 CB HIS A 122 9.235 -18.946 5.955 1.00 62.23 C ATOM 1981 CG HIS A 122 10.186 -19.178 7.120 1.00 11.30 C ATOM 1982 ND1 HIS A 122 11.078 -20.230 7.152 1.00 0.13 N ATOM 1983 CD2 HIS A 122 10.444 -18.454 8.234 1.00 72.31 C ATOM 1984 CE1 HIS A 122 11.837 -20.136 8.227 1.00 34.14 C ATOM 1985 NE2 HIS A 122 11.474 -19.067 8.905 1.00 1.51 N ATOM 0 H HIS A 122 8.798 -16.825 7.245 1.00 14.51 H new ATOM 0 HA HIS A 122 7.297 -18.278 5.328 1.00 34.12 H new ATOM 0 HB2 HIS A 122 9.119 -19.890 5.423 1.00 62.23 H new ATOM 0 HB3 HIS A 122 9.711 -18.248 5.266 1.00 62.23 H new ATOM 0 HD2 HIS A 122 9.931 -17.554 8.541 1.00 72.31 H new ATOM 0 HE1 HIS A 122 12.624 -20.821 8.505 1.00 34.14 H new ATOM 0 HE2 HIS A 122 11.888 -18.748 9.781 1.00 1.51 H new ATOM 1994 N HIS A 123 5.789 -19.736 6.563 1.00 62.52 N ATOM 1995 CA HIS A 123 4.833 -20.654 7.199 1.00 64.54 C ATOM 1996 C HIS A 123 4.997 -22.069 6.608 1.00 64.13 C ATOM 1997 O HIS A 123 4.992 -22.250 5.381 1.00 72.01 O ATOM 1998 CB HIS A 123 3.371 -20.114 7.080 1.00 21.32 C ATOM 1999 CG HIS A 123 2.859 -19.813 5.683 1.00 74.34 C ATOM 2000 ND1 HIS A 123 1.786 -20.464 5.119 1.00 52.33 N ATOM 2001 CD2 HIS A 123 3.227 -18.872 4.779 1.00 31.23 C ATOM 2002 CE1 HIS A 123 1.517 -19.941 3.939 1.00 51.25 C ATOM 2003 NE2 HIS A 123 2.377 -18.973 3.706 1.00 71.52 N ATOM 0 H HIS A 123 5.472 -19.382 5.661 1.00 62.52 H new ATOM 0 HA HIS A 123 5.047 -20.717 8.266 1.00 64.54 H new ATOM 0 HB2 HIS A 123 2.702 -20.844 7.536 1.00 21.32 H new ATOM 0 HB3 HIS A 123 3.298 -19.201 7.672 1.00 21.32 H new ATOM 0 HD2 HIS A 123 4.041 -18.170 4.884 1.00 31.23 H new ATOM 0 HE1 HIS A 123 0.724 -20.254 3.276 1.00 51.25 H new ATOM 0 HE2 HIS A 123 2.407 -18.394 2.867 1.00 71.52 H new ATOM 2012 N HIS A 124 5.160 -23.049 7.512 1.00 64.33 N ATOM 2013 CA HIS A 124 5.469 -24.458 7.190 1.00 43.55 C ATOM 2014 C HIS A 124 4.309 -25.128 6.421 1.00 63.14 C ATOM 2015 O HIS A 124 3.144 -24.898 6.754 1.00 74.21 O ATOM 2016 CB HIS A 124 5.707 -25.257 8.506 1.00 61.11 C ATOM 2017 CG HIS A 124 6.803 -24.745 9.412 1.00 43.11 C ATOM 2018 ND1 HIS A 124 8.045 -25.339 9.499 1.00 65.31 N ATOM 2019 CD2 HIS A 124 6.819 -23.725 10.310 1.00 71.43 C ATOM 2020 CE1 HIS A 124 8.767 -24.719 10.413 1.00 21.22 C ATOM 2021 NE2 HIS A 124 8.050 -23.734 10.917 1.00 2.52 N ATOM 0 H HIS A 124 5.079 -22.882 8.515 1.00 64.33 H new ATOM 0 HA HIS A 124 6.362 -24.465 6.565 1.00 43.55 H new ATOM 0 HB2 HIS A 124 4.775 -25.271 9.071 1.00 61.11 H new ATOM 0 HB3 HIS A 124 5.936 -26.290 8.243 1.00 61.11 H new ATOM 0 HD2 HIS A 124 6.012 -23.035 10.509 1.00 71.43 H new ATOM 0 HE1 HIS A 124 9.776 -24.975 10.700 1.00 21.22 H new ATOM 0 HE2 HIS A 124 8.360 -23.085 11.640 1.00 2.52 H new ATOM 2030 N HIS A 125 4.636 -25.960 5.416 1.00 34.15 N ATOM 2031 CA HIS A 125 3.656 -26.834 4.742 1.00 52.43 C ATOM 2032 C HIS A 125 4.341 -28.169 4.351 1.00 62.44 C ATOM 2033 O HIS A 125 5.041 -28.229 3.322 1.00 20.51 O ATOM 2034 CB HIS A 125 2.946 -26.129 3.529 1.00 31.55 C ATOM 2035 CG HIS A 125 3.842 -25.462 2.510 1.00 13.12 C ATOM 2036 ND1 HIS A 125 4.377 -26.127 1.427 1.00 4.24 N ATOM 2037 CD2 HIS A 125 4.262 -24.182 2.401 1.00 35.22 C ATOM 2038 CE1 HIS A 125 5.073 -25.283 0.693 1.00 50.33 C ATOM 2039 NE2 HIS A 125 5.023 -24.095 1.258 1.00 72.21 N ATOM 2040 OXT HIS A 125 4.223 -29.147 5.117 1.00 37.87 O ATOM 0 H HIS A 125 5.584 -26.046 5.048 1.00 34.15 H new ATOM 0 HA HIS A 125 2.849 -27.055 5.441 1.00 52.43 H new ATOM 0 HB2 HIS A 125 2.338 -26.872 3.013 1.00 31.55 H new ATOM 0 HB3 HIS A 125 2.263 -25.377 3.925 1.00 31.55 H new ATOM 0 HD2 HIS A 125 4.041 -23.376 3.085 1.00 35.22 H new ATOM 0 HE1 HIS A 125 5.597 -25.525 -0.220 1.00 50.33 H new ATOM 0 HE2 HIS A 125 5.474 -23.250 0.907 1.00 72.21 H new TER 2049 HIS A 125