USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 924 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 80 CYS SG : rot 180:sc= -2.23 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 54 MET CE :methyl -168:sc= -2.95 (180deg=-3.66!) USER MOD Set 3.2: A 58 CYS SG : rot 62:sc= -2.51 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.03 USER MOD Single : A 6 SER OG : rot 114:sc= 0.263 USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 0.167 (180deg=0.159) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 0.0217 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= -0.32 (180deg=-1.26) USER MOD Single : A 27 ASN : amide:sc= -2.05 K(o=-2,f=-6.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.199 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3! C(o=-3!,f=-3.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -5.01! C(o=-5!,f=-4.4!) USER MOD Single : A 60 ASN : amide:sc= -0.671 K(o=-0.67,f=-2.6) USER MOD Single : A 65 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-3.5!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.585 USER MOD Single : A 71 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.6!) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -3.32! (180deg=-5.09!) USER MOD Single : A 83 GLN : amide:sc= -3.21! C(o=-3.2!,f=-8.4!) USER MOD Single : A 86 CYS SG : rot 3:sc= 0.788 USER MOD Single : A 90 LYS NZ :NH3+ -121:sc=-0.00172 (180deg=-1.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -47:sc= 0.0549 USER MOD Single : A 98 SER OG : rot -120:sc= 1.16 USER MOD Single : A 102 CYS SG : rot -161:sc= 0.48 USER MOD Single : A 108 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 110 GLN : amide:sc= -3.52! C(o=-3.5!,f=-8.9!) USER MOD Single : A 112 SER OG : rot -56:sc= 0.837 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 15:sc= 0.126! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.855 -13.218 -2.209 1.00 0.00 N ATOM 2 CA GLY A 1 -26.652 -12.841 -1.491 1.00 0.00 C ATOM 3 C GLY A 1 -26.010 -11.588 -2.052 1.00 0.00 C ATOM 4 O GLY A 1 -26.599 -10.507 -2.006 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.255 -14.080 -1.787 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.551 -12.448 -2.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.622 -13.397 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.895 -12.682 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.936 -13.662 -1.532 1.00 0.00 H new ATOM 8 N SER A 2 -24.799 -11.730 -2.580 1.00 0.00 N ATOM 9 CA SER A 2 -24.075 -10.599 -3.148 1.00 0.00 C ATOM 10 C SER A 2 -23.741 -10.848 -4.615 1.00 0.00 C ATOM 11 O SER A 2 -23.661 -11.994 -5.059 1.00 0.00 O ATOM 12 CB SER A 2 -22.790 -10.341 -2.357 1.00 0.00 C ATOM 13 OG SER A 2 -22.081 -9.233 -2.885 1.00 0.00 O ATOM 0 H SER A 2 -24.298 -12.617 -2.626 1.00 0.00 H new ATOM 0 HA SER A 2 -24.716 -9.720 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.034 -10.156 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.158 -11.228 -2.385 1.00 0.00 H new ATOM 0 HG SER A 2 -21.265 -9.087 -2.362 1.00 0.00 H new ATOM 19 N SER A 3 -23.547 -9.767 -5.364 1.00 0.00 N ATOM 20 CA SER A 3 -23.226 -9.867 -6.782 1.00 0.00 C ATOM 21 C SER A 3 -21.819 -9.346 -7.059 1.00 0.00 C ATOM 22 O SER A 3 -21.467 -9.051 -8.200 1.00 0.00 O ATOM 23 CB SER A 3 -24.244 -9.084 -7.614 1.00 0.00 C ATOM 24 OG SER A 3 -24.225 -7.707 -7.280 1.00 0.00 O ATOM 0 H SER A 3 -23.607 -8.812 -5.012 1.00 0.00 H new ATOM 0 HA SER A 3 -23.268 -10.919 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.023 -9.207 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.242 -9.488 -7.447 1.00 0.00 H new ATOM 0 HG SER A 3 -24.883 -7.229 -7.827 1.00 0.00 H new ATOM 30 N GLY A 4 -21.017 -9.235 -6.003 1.00 0.00 N ATOM 31 CA GLY A 4 -19.658 -8.750 -6.152 1.00 0.00 C ATOM 32 C GLY A 4 -19.590 -7.436 -6.904 1.00 0.00 C ATOM 33 O GLY A 4 -20.011 -6.398 -6.394 1.00 0.00 O ATOM 0 H GLY A 4 -21.285 -9.472 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.210 -8.624 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.065 -9.497 -6.679 1.00 0.00 H new ATOM 37 N SER A 5 -19.058 -7.480 -8.122 1.00 0.00 N ATOM 38 CA SER A 5 -18.932 -6.282 -8.944 1.00 0.00 C ATOM 39 C SER A 5 -18.136 -5.204 -8.215 1.00 0.00 C ATOM 40 O SER A 5 -18.494 -4.026 -8.244 1.00 0.00 O ATOM 41 CB SER A 5 -20.315 -5.747 -9.318 1.00 0.00 C ATOM 42 OG SER A 5 -20.242 -4.886 -10.441 1.00 0.00 O ATOM 0 H SER A 5 -18.708 -8.332 -8.561 1.00 0.00 H new ATOM 0 HA SER A 5 -18.396 -6.550 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.983 -6.580 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.742 -5.210 -8.471 1.00 0.00 H new ATOM 0 HG SER A 5 -19.623 -4.151 -10.250 1.00 0.00 H new ATOM 48 N SER A 6 -17.055 -5.616 -7.561 1.00 0.00 N ATOM 49 CA SER A 6 -16.209 -4.687 -6.820 1.00 0.00 C ATOM 50 C SER A 6 -15.093 -4.142 -7.707 1.00 0.00 C ATOM 51 O SER A 6 -14.011 -4.721 -7.787 1.00 0.00 O ATOM 52 CB SER A 6 -15.611 -5.376 -5.593 1.00 0.00 C ATOM 53 OG SER A 6 -15.051 -6.632 -5.936 1.00 0.00 O ATOM 0 H SER A 6 -16.744 -6.587 -7.529 1.00 0.00 H new ATOM 0 HA SER A 6 -16.829 -3.852 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.843 -4.740 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.384 -5.513 -4.836 1.00 0.00 H new ATOM 0 HG SER A 6 -14.079 -6.601 -5.814 1.00 0.00 H new ATOM 59 N GLY A 7 -15.366 -3.024 -8.372 1.00 0.00 N ATOM 60 CA GLY A 7 -14.377 -2.419 -9.244 1.00 0.00 C ATOM 61 C GLY A 7 -13.354 -1.601 -8.482 1.00 0.00 C ATOM 62 O GLY A 7 -13.417 -0.371 -8.469 1.00 0.00 O ATOM 0 H GLY A 7 -16.255 -2.526 -8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.866 -3.201 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.880 -1.781 -9.970 1.00 0.00 H new ATOM 66 N PHE A 8 -12.410 -2.283 -7.842 1.00 0.00 N ATOM 67 CA PHE A 8 -11.371 -1.611 -7.071 1.00 0.00 C ATOM 68 C PHE A 8 -10.906 -0.340 -7.776 1.00 0.00 C ATOM 69 O PHE A 8 -10.582 -0.359 -8.963 1.00 0.00 O ATOM 70 CB PHE A 8 -10.183 -2.549 -6.850 1.00 0.00 C ATOM 71 CG PHE A 8 -10.585 -3.963 -6.541 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.525 -4.231 -5.560 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.022 -5.024 -7.233 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.896 -5.531 -5.273 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.390 -6.326 -6.951 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.329 -6.580 -5.970 1.00 0.00 C ATOM 0 H PHE A 8 -12.343 -3.301 -7.842 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.792 -1.335 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.556 -2.545 -7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.575 -2.165 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.973 -3.415 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.288 -4.831 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.629 -5.727 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.944 -7.144 -7.497 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.619 -7.596 -5.749 1.00 0.00 H new ATOM 86 N VAL A 9 -10.877 0.763 -7.035 1.00 0.00 N ATOM 87 CA VAL A 9 -10.451 2.044 -7.588 1.00 0.00 C ATOM 88 C VAL A 9 -9.155 1.898 -8.378 1.00 0.00 C ATOM 89 O VAL A 9 -9.075 2.298 -9.540 1.00 0.00 O ATOM 90 CB VAL A 9 -10.249 3.094 -6.480 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.043 4.475 -7.084 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.431 3.093 -5.523 1.00 0.00 C ATOM 0 H VAL A 9 -11.143 0.796 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.244 2.380 -8.256 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.354 2.833 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.902 5.204 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.162 4.464 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.918 4.748 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.271 3.841 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.343 3.328 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.527 2.109 -5.064 1.00 0.00 H new ATOM 102 N LYS A 10 -8.142 1.322 -7.740 1.00 0.00 N ATOM 103 CA LYS A 10 -6.848 1.121 -8.382 1.00 0.00 C ATOM 104 C LYS A 10 -6.183 -0.156 -7.878 1.00 0.00 C ATOM 105 O LYS A 10 -6.230 -0.462 -6.686 1.00 0.00 O ATOM 106 CB LYS A 10 -5.935 2.321 -8.123 1.00 0.00 C ATOM 107 CG LYS A 10 -4.571 2.200 -8.780 1.00 0.00 C ATOM 108 CD LYS A 10 -3.724 3.439 -8.538 1.00 0.00 C ATOM 109 CE LYS A 10 -2.242 3.145 -8.718 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.897 2.887 -10.143 1.00 0.00 N ATOM 0 H LYS A 10 -8.192 0.986 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.014 1.024 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.425 3.225 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.802 2.440 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.055 1.323 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.695 2.046 -9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.026 4.228 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.902 3.812 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.657 3.988 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.968 2.279 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.867 2.775 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.370 2.018 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.212 3.688 -10.727 1.00 0.00 H new ATOM 124 N SER A 11 -5.564 -0.896 -8.792 1.00 0.00 N ATOM 125 CA SER A 11 -4.891 -2.141 -8.439 1.00 0.00 C ATOM 126 C SER A 11 -3.514 -2.217 -9.091 1.00 0.00 C ATOM 127 O SER A 11 -3.329 -1.788 -10.229 1.00 0.00 O ATOM 128 CB SER A 11 -5.738 -3.341 -8.867 1.00 0.00 C ATOM 129 OG SER A 11 -5.880 -3.389 -10.276 1.00 0.00 O ATOM 0 H SER A 11 -5.514 -0.655 -9.782 1.00 0.00 H new ATOM 0 HA SER A 11 -4.763 -2.163 -7.357 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.274 -4.262 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.722 -3.280 -8.401 1.00 0.00 H new ATOM 0 HG SER A 11 -6.424 -4.166 -10.524 1.00 0.00 H new ATOM 135 N GLY A 12 -2.550 -2.768 -8.360 1.00 0.00 N ATOM 136 CA GLY A 12 -1.201 -2.891 -8.882 1.00 0.00 C ATOM 137 C GLY A 12 -0.272 -3.611 -7.925 1.00 0.00 C ATOM 138 O GLY A 12 -0.575 -3.746 -6.739 1.00 0.00 O ATOM 0 H GLY A 12 -2.679 -3.131 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.229 -3.429 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.804 -1.898 -9.091 1.00 0.00 H new ATOM 142 N TRP A 13 0.861 -4.075 -8.439 1.00 0.00 N ATOM 143 CA TRP A 13 1.836 -4.787 -7.621 1.00 0.00 C ATOM 144 C TRP A 13 2.636 -3.816 -6.759 1.00 0.00 C ATOM 145 O TRP A 13 3.057 -2.757 -7.227 1.00 0.00 O ATOM 146 CB TRP A 13 2.781 -5.598 -8.509 1.00 0.00 C ATOM 147 CG TRP A 13 2.143 -6.821 -9.095 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.663 -6.965 -10.365 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.914 -8.069 -8.433 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.149 -8.229 -10.533 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.292 -8.926 -9.362 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.176 -8.548 -7.146 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.927 -10.231 -9.043 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.813 -9.843 -6.831 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.195 -10.673 -7.776 1.00 0.00 C ATOM 0 H TRP A 13 1.127 -3.971 -9.418 1.00 0.00 H new ATOM 0 HA TRP A 13 1.295 -5.466 -6.963 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.143 -4.963 -9.318 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.651 -5.896 -7.924 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.684 -6.199 -11.126 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.729 -8.589 -11.390 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.654 -7.917 -6.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.449 -10.872 -9.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.009 -10.223 -5.839 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.925 -11.681 -7.499 1.00 0.00 H new ATOM 166 N LEU A 14 2.842 -4.182 -5.499 1.00 0.00 N ATOM 167 CA LEU A 14 3.592 -3.343 -4.571 1.00 0.00 C ATOM 168 C LEU A 14 4.286 -4.190 -3.509 1.00 0.00 C ATOM 169 O LEU A 14 3.720 -5.164 -3.010 1.00 0.00 O ATOM 170 CB LEU A 14 2.661 -2.329 -3.903 1.00 0.00 C ATOM 171 CG LEU A 14 1.774 -1.512 -4.843 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.805 -0.651 -4.047 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.625 -0.648 -5.763 1.00 0.00 C ATOM 0 H LEU A 14 2.500 -5.055 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 14 4.354 -2.809 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.019 -2.862 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.268 -1.639 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 14 1.196 -2.202 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.182 -0.076 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.173 -1.290 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.365 0.031 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.977 -0.074 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.229 0.034 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.279 -1.285 -6.359 1.00 0.00 H new ATOM 185 N LEU A 15 5.512 -3.812 -3.167 1.00 0.00 N ATOM 186 CA LEU A 15 6.283 -4.536 -2.162 1.00 0.00 C ATOM 187 C LEU A 15 5.923 -4.065 -0.757 1.00 0.00 C ATOM 188 O LEU A 15 5.788 -2.867 -0.508 1.00 0.00 O ATOM 189 CB LEU A 15 7.782 -4.348 -2.407 1.00 0.00 C ATOM 190 CG LEU A 15 8.256 -4.547 -3.847 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.534 -3.763 -4.101 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.469 -6.025 -4.139 1.00 0.00 C ATOM 0 H LEU A 15 5.994 -3.009 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 15 6.038 -5.595 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.058 -3.342 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.325 -5.044 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 15 7.484 -4.172 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.857 -3.917 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.349 -2.702 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.313 -4.108 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.806 -6.148 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.222 -6.425 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.531 -6.563 -3.998 1.00 0.00 H new ATOM 204 N ARG A 16 5.771 -5.016 0.159 1.00 0.00 N ATOM 205 CA ARG A 16 5.428 -4.699 1.540 1.00 0.00 C ATOM 206 C ARG A 16 6.420 -5.339 2.508 1.00 0.00 C ATOM 207 O ARG A 16 6.720 -6.528 2.406 1.00 0.00 O ATOM 208 CB ARG A 16 4.010 -5.174 1.858 1.00 0.00 C ATOM 209 CG ARG A 16 3.560 -4.846 3.272 1.00 0.00 C ATOM 210 CD ARG A 16 2.213 -5.477 3.589 1.00 0.00 C ATOM 211 NE ARG A 16 2.354 -6.827 4.128 1.00 0.00 N ATOM 212 CZ ARG A 16 2.748 -7.084 5.370 1.00 0.00 C ATOM 213 NH1 ARG A 16 3.039 -6.089 6.197 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.852 -8.339 5.788 1.00 0.00 N ATOM 0 H ARG A 16 5.880 -6.012 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 16 5.476 -3.617 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.317 -4.719 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.955 -6.252 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.306 -5.201 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.494 -3.765 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.681 -4.854 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.606 -5.510 2.684 1.00 0.00 H new ATOM 0 HE ARG A 16 2.138 -7.615 3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.960 -5.123 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.341 -6.290 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.629 -9.107 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.155 -8.535 6.742 1.00 0.00 H new ATOM 228 N GLN A 17 6.923 -4.542 3.445 1.00 0.00 N ATOM 229 CA GLN A 17 7.881 -5.031 4.429 1.00 0.00 C ATOM 230 C GLN A 17 7.165 -5.669 5.615 1.00 0.00 C ATOM 231 O GLN A 17 6.336 -5.034 6.267 1.00 0.00 O ATOM 232 CB GLN A 17 8.776 -3.889 4.912 1.00 0.00 C ATOM 233 CG GLN A 17 10.117 -4.355 5.456 1.00 0.00 C ATOM 234 CD GLN A 17 10.818 -3.288 6.273 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.598 -3.168 7.479 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.670 -2.506 5.620 1.00 0.00 N ATOM 0 H GLN A 17 6.683 -3.555 3.543 1.00 0.00 H new ATOM 0 HA GLN A 17 8.500 -5.790 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.948 -3.199 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.252 -3.332 5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.966 -5.240 6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.758 -4.651 4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.822 -2.640 4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.172 -1.771 6.118 1.00 0.00 H new ATOM 245 N SER A 18 7.491 -6.928 5.890 1.00 0.00 N ATOM 246 CA SER A 18 6.876 -7.653 6.995 1.00 0.00 C ATOM 247 C SER A 18 7.832 -7.750 8.180 1.00 0.00 C ATOM 248 O SER A 18 9.046 -7.611 8.027 1.00 0.00 O ATOM 249 CB SER A 18 6.459 -9.054 6.545 1.00 0.00 C ATOM 250 OG SER A 18 5.328 -9.507 7.269 1.00 0.00 O ATOM 0 H SER A 18 8.178 -7.467 5.362 1.00 0.00 H new ATOM 0 HA SER A 18 5.990 -7.102 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.232 -9.044 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.288 -9.747 6.688 1.00 0.00 H new ATOM 0 HG SER A 18 5.080 -10.404 6.961 1.00 0.00 H new ATOM 256 N THR A 19 7.276 -7.991 9.363 1.00 0.00 N ATOM 257 CA THR A 19 8.077 -8.106 10.575 1.00 0.00 C ATOM 258 C THR A 19 8.581 -9.532 10.768 1.00 0.00 C ATOM 259 O THR A 19 9.627 -9.753 11.379 1.00 0.00 O ATOM 260 CB THR A 19 7.276 -7.684 11.821 1.00 0.00 C ATOM 261 OG1 THR A 19 6.672 -6.404 11.605 1.00 0.00 O ATOM 262 CG2 THR A 19 8.173 -7.626 13.048 1.00 0.00 C ATOM 0 H THR A 19 6.273 -8.110 9.507 1.00 0.00 H new ATOM 0 HA THR A 19 8.928 -7.436 10.455 1.00 0.00 H new ATOM 0 HB THR A 19 6.498 -8.428 11.994 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.163 -6.144 12.401 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.585 -7.326 13.915 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.608 -8.609 13.228 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.970 -6.901 12.882 1.00 0.00 H new ATOM 270 N ILE A 20 7.831 -10.495 10.243 1.00 0.00 N ATOM 271 CA ILE A 20 8.204 -11.900 10.356 1.00 0.00 C ATOM 272 C ILE A 20 9.219 -12.287 9.286 1.00 0.00 C ATOM 273 O ILE A 20 10.020 -13.203 9.478 1.00 0.00 O ATOM 274 CB ILE A 20 6.974 -12.820 10.237 1.00 0.00 C ATOM 275 CG1 ILE A 20 5.900 -12.405 11.245 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.376 -14.271 10.451 1.00 0.00 C ATOM 277 CD1 ILE A 20 6.377 -12.430 12.681 1.00 0.00 C ATOM 0 H ILE A 20 6.962 -10.328 9.736 1.00 0.00 H new ATOM 0 HA ILE A 20 8.651 -12.030 11.342 1.00 0.00 H new ATOM 0 HB ILE A 20 6.561 -12.722 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.555 -11.400 11.003 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.042 -13.070 11.144 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.496 -14.909 10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.110 -14.560 9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.810 -14.386 11.444 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.564 -12.125 13.340 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.695 -13.440 12.941 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.216 -11.744 12.798 1.00 0.00 H new ATOM 289 N LEU A 21 9.182 -11.583 8.161 1.00 0.00 N ATOM 290 CA LEU A 21 10.101 -11.851 7.060 1.00 0.00 C ATOM 291 C LEU A 21 11.210 -10.806 7.009 1.00 0.00 C ATOM 292 O LEU A 21 12.284 -11.050 6.459 1.00 0.00 O ATOM 293 CB LEU A 21 9.343 -11.872 5.731 1.00 0.00 C ATOM 294 CG LEU A 21 8.768 -13.224 5.307 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.735 -13.044 4.206 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.880 -14.157 4.850 1.00 0.00 C ATOM 0 H LEU A 21 8.526 -10.822 7.987 1.00 0.00 H new ATOM 0 HA LEU A 21 10.555 -12.827 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.525 -11.155 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.015 -11.524 4.947 1.00 0.00 H new ATOM 0 HG LEU A 21 8.275 -13.673 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.337 -14.017 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.923 -12.413 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.203 -12.573 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.452 -15.114 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.402 -13.713 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.583 -14.313 5.668 1.00 0.00 H new ATOM 308 N LYS A 22 10.944 -9.640 7.589 1.00 0.00 N ATOM 309 CA LYS A 22 11.920 -8.557 7.614 1.00 0.00 C ATOM 310 C LYS A 22 12.537 -8.349 6.234 1.00 0.00 C ATOM 311 O LYS A 22 13.737 -8.099 6.112 1.00 0.00 O ATOM 312 CB LYS A 22 13.019 -8.857 8.636 1.00 0.00 C ATOM 313 CG LYS A 22 12.655 -8.457 10.055 1.00 0.00 C ATOM 314 CD LYS A 22 13.024 -7.010 10.339 1.00 0.00 C ATOM 315 CE LYS A 22 14.511 -6.859 10.622 1.00 0.00 C ATOM 316 NZ LYS A 22 14.848 -7.223 12.026 1.00 0.00 N ATOM 0 H LYS A 22 10.060 -9.421 8.048 1.00 0.00 H new ATOM 0 HA LYS A 22 11.403 -7.642 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.243 -9.924 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.929 -8.334 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.585 -8.598 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.169 -9.110 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.750 -6.389 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.451 -6.648 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.077 -7.491 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.814 -5.830 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.870 -7.107 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.328 -6.604 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.582 -8.213 12.201 1.00 0.00 H new ATOM 330 N ARG A 23 11.710 -8.451 5.199 1.00 0.00 N ATOM 331 CA ARG A 23 12.175 -8.273 3.829 1.00 0.00 C ATOM 332 C ARG A 23 11.020 -7.886 2.909 1.00 0.00 C ATOM 333 O ARG A 23 9.878 -8.290 3.127 1.00 0.00 O ATOM 334 CB ARG A 23 12.837 -9.556 3.322 1.00 0.00 C ATOM 335 CG ARG A 23 11.856 -10.691 3.077 1.00 0.00 C ATOM 336 CD ARG A 23 12.337 -11.612 1.966 1.00 0.00 C ATOM 337 NE ARG A 23 12.073 -11.055 0.642 1.00 0.00 N ATOM 338 CZ ARG A 23 12.445 -11.642 -0.490 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.093 -12.799 -0.459 1.00 0.00 N ATOM 340 NH2 ARG A 23 12.169 -11.073 -1.656 1.00 0.00 N ATOM 0 H ARG A 23 10.714 -8.656 5.283 1.00 0.00 H new ATOM 0 HA ARG A 23 12.908 -7.467 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.368 -9.339 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.583 -9.881 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.724 -11.264 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.881 -10.281 2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.407 -11.788 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.843 -12.579 2.058 1.00 0.00 H new ATOM 0 HE ARG A 23 11.576 -10.166 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.307 -13.240 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.378 -13.248 -1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.671 -10.184 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.455 -11.525 -2.524 1.00 0.00 H new ATOM 354 N TRP A 24 11.327 -7.102 1.882 1.00 0.00 N ATOM 355 CA TRP A 24 10.314 -6.660 0.930 1.00 0.00 C ATOM 356 C TRP A 24 9.797 -7.832 0.102 1.00 0.00 C ATOM 357 O TRP A 24 10.550 -8.457 -0.645 1.00 0.00 O ATOM 358 CB TRP A 24 10.888 -5.582 0.008 1.00 0.00 C ATOM 359 CG TRP A 24 11.221 -4.307 0.721 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.410 -3.985 1.311 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.355 -3.185 0.920 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.335 -2.729 1.865 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.085 -2.217 1.638 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.035 -2.902 0.560 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.536 -0.991 2.002 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.492 -1.684 0.922 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.241 -0.740 1.637 1.00 0.00 C ATOM 0 H TRP A 24 12.268 -6.760 1.687 1.00 0.00 H new ATOM 0 HA TRP A 24 9.480 -6.241 1.493 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.787 -5.967 -0.473 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.169 -5.370 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.281 -4.623 1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.088 -2.255 2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.449 -3.623 0.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.112 -0.263 2.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.472 -1.456 0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.788 0.203 1.905 1.00 0.00 H new ATOM 378 N LYS A 25 8.509 -8.124 0.240 1.00 0.00 N ATOM 379 CA LYS A 25 7.890 -9.220 -0.496 1.00 0.00 C ATOM 380 C LYS A 25 6.751 -8.711 -1.374 1.00 0.00 C ATOM 381 O LYS A 25 5.852 -8.015 -0.901 1.00 0.00 O ATOM 382 CB LYS A 25 7.365 -10.281 0.474 1.00 0.00 C ATOM 383 CG LYS A 25 6.415 -9.730 1.523 1.00 0.00 C ATOM 384 CD LYS A 25 5.597 -10.835 2.171 1.00 0.00 C ATOM 385 CE LYS A 25 4.594 -10.275 3.167 1.00 0.00 C ATOM 386 NZ LYS A 25 3.855 -11.356 3.877 1.00 0.00 N ATOM 0 H LYS A 25 7.873 -7.617 0.855 1.00 0.00 H new ATOM 0 HA LYS A 25 8.649 -9.667 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.854 -11.059 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.210 -10.754 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.984 -9.201 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.746 -9.003 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.071 -11.399 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.263 -11.533 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.114 -9.652 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.885 -9.632 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.851 -11.324 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.254 -12.280 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.944 -11.221 4.904 1.00 0.00 H new ATOM 400 N LYS A 26 6.793 -9.064 -2.654 1.00 0.00 N ATOM 401 CA LYS A 26 5.764 -8.646 -3.598 1.00 0.00 C ATOM 402 C LYS A 26 4.372 -8.969 -3.064 1.00 0.00 C ATOM 403 O LYS A 26 4.128 -10.067 -2.566 1.00 0.00 O ATOM 404 CB LYS A 26 5.975 -9.331 -4.951 1.00 0.00 C ATOM 405 CG LYS A 26 5.463 -8.521 -6.129 1.00 0.00 C ATOM 406 CD LYS A 26 6.534 -7.592 -6.675 1.00 0.00 C ATOM 407 CE LYS A 26 7.395 -8.287 -7.719 1.00 0.00 C ATOM 408 NZ LYS A 26 8.513 -9.049 -7.097 1.00 0.00 N ATOM 0 H LYS A 26 7.530 -9.639 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 26 5.842 -7.567 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.039 -9.525 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.474 -10.299 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.129 -9.195 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.596 -7.937 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.064 -6.713 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.164 -7.241 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.776 -8.965 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.800 -7.546 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.310 -9.102 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.820 -8.567 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.191 -10.010 -6.865 1.00 0.00 H new ATOM 422 N ASN A 27 3.463 -8.006 -3.174 1.00 0.00 N ATOM 423 CA ASN A 27 2.095 -8.190 -2.703 1.00 0.00 C ATOM 424 C ASN A 27 1.104 -7.477 -3.618 1.00 0.00 C ATOM 425 O ASN A 27 1.463 -6.536 -4.325 1.00 0.00 O ATOM 426 CB ASN A 27 1.952 -7.666 -1.272 1.00 0.00 C ATOM 427 CG ASN A 27 2.689 -8.527 -0.265 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.505 -8.031 0.513 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.406 -9.824 -0.275 1.00 0.00 N ATOM 0 H ASN A 27 3.649 -7.091 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 27 1.873 -9.257 -2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.333 -6.646 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.896 -7.625 -1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.872 -10.453 0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.723 -10.192 -0.937 1.00 0.00 H new ATOM 436 N TRP A 28 -0.143 -7.933 -3.600 1.00 0.00 N ATOM 437 CA TRP A 28 -1.186 -7.339 -4.428 1.00 0.00 C ATOM 438 C TRP A 28 -2.108 -6.457 -3.593 1.00 0.00 C ATOM 439 O TRP A 28 -2.638 -6.889 -2.570 1.00 0.00 O ATOM 440 CB TRP A 28 -1.999 -8.433 -5.123 1.00 0.00 C ATOM 441 CG TRP A 28 -3.007 -7.898 -6.094 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.365 -7.887 -5.944 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.738 -7.297 -7.365 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.955 -7.317 -7.045 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.979 -6.945 -7.931 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.569 -7.021 -8.079 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.081 -6.333 -9.178 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.672 -6.413 -9.316 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.920 -6.074 -9.855 1.00 0.00 C ATOM 0 H TRP A 28 -0.457 -8.712 -3.021 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.705 -6.717 -5.183 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.318 -9.103 -5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.513 -9.029 -4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.896 -8.270 -5.085 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.958 -7.191 -7.181 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.602 -7.278 -7.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.042 -6.072 -9.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.775 -6.195 -9.877 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.967 -5.599 -10.824 1.00 0.00 H new ATOM 460 N PHE A 29 -2.294 -5.218 -4.036 1.00 0.00 N ATOM 461 CA PHE A 29 -3.151 -4.274 -3.329 1.00 0.00 C ATOM 462 C PHE A 29 -4.347 -3.875 -4.189 1.00 0.00 C ATOM 463 O PHE A 29 -4.261 -3.848 -5.416 1.00 0.00 O ATOM 464 CB PHE A 29 -2.356 -3.028 -2.932 1.00 0.00 C ATOM 465 CG PHE A 29 -1.374 -3.272 -1.823 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.160 -3.890 -2.077 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.664 -2.884 -0.525 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.746 -4.116 -1.058 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.762 -3.106 0.498 1.00 0.00 C ATOM 470 CZ PHE A 29 0.444 -3.724 0.231 1.00 0.00 C ATOM 0 H PHE A 29 -1.863 -4.844 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.521 -4.763 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.821 -2.655 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.051 -2.246 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.081 -4.199 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.606 -2.402 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.689 -4.598 -1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.000 -2.797 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.150 -3.900 1.029 1.00 0.00 H new ATOM 480 N ASP A 30 -5.462 -3.567 -3.535 1.00 0.00 N ATOM 481 CA ASP A 30 -6.676 -3.170 -4.238 1.00 0.00 C ATOM 482 C ASP A 30 -7.536 -2.261 -3.365 1.00 0.00 C ATOM 483 O ASP A 30 -8.018 -2.672 -2.309 1.00 0.00 O ATOM 484 CB ASP A 30 -7.477 -4.404 -4.655 1.00 0.00 C ATOM 485 CG ASP A 30 -6.696 -5.314 -5.583 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.132 -4.807 -6.575 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.649 -6.534 -5.318 1.00 0.00 O ATOM 0 H ASP A 30 -5.550 -3.585 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.385 -2.617 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.769 -4.962 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.396 -4.088 -5.149 1.00 0.00 H new ATOM 492 N LEU A 31 -7.725 -1.025 -3.814 1.00 0.00 N ATOM 493 CA LEU A 31 -8.527 -0.057 -3.073 1.00 0.00 C ATOM 494 C LEU A 31 -9.980 -0.086 -3.536 1.00 0.00 C ATOM 495 O LEU A 31 -10.260 -0.096 -4.735 1.00 0.00 O ATOM 496 CB LEU A 31 -7.953 1.350 -3.248 1.00 0.00 C ATOM 497 CG LEU A 31 -8.444 2.404 -2.254 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.597 2.382 -0.991 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.423 3.786 -2.889 1.00 0.00 C ATOM 0 H LEU A 31 -7.334 -0.670 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.495 -0.328 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.867 1.289 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.187 1.693 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.472 2.167 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.961 3.138 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.664 1.399 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.558 2.593 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.775 4.523 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.405 4.032 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.073 3.794 -3.764 1.00 0.00 H new ATOM 511 N TRP A 32 -10.900 -0.098 -2.578 1.00 0.00 N ATOM 512 CA TRP A 32 -12.325 -0.124 -2.888 1.00 0.00 C ATOM 513 C TRP A 32 -12.878 1.290 -3.026 1.00 0.00 C ATOM 514 O TRP A 32 -12.237 2.259 -2.620 1.00 0.00 O ATOM 515 CB TRP A 32 -13.090 -0.880 -1.800 1.00 0.00 C ATOM 516 CG TRP A 32 -12.744 -2.336 -1.733 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.493 -2.878 -1.654 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.660 -3.436 -1.740 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.576 -4.249 -1.613 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.895 -4.617 -1.663 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.052 -3.540 -1.802 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.477 -5.881 -1.648 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.629 -4.795 -1.787 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.842 -5.953 -1.710 1.00 0.00 C ATOM 0 H TRP A 32 -10.685 -0.090 -1.581 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.455 -0.639 -3.840 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.883 -0.420 -0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.160 -0.776 -1.979 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.573 -2.312 -1.628 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.784 -4.889 -1.555 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.667 -2.654 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.872 -6.774 -1.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.704 -4.886 -1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.322 -6.920 -1.699 1.00 0.00 H new ATOM 535 N SER A 33 -14.070 1.401 -3.603 1.00 0.00 N ATOM 536 CA SER A 33 -14.707 2.698 -3.798 1.00 0.00 C ATOM 537 C SER A 33 -15.092 3.321 -2.460 1.00 0.00 C ATOM 538 O SER A 33 -15.113 4.544 -2.315 1.00 0.00 O ATOM 539 CB SER A 33 -15.948 2.553 -4.682 1.00 0.00 C ATOM 540 OG SER A 33 -15.649 1.834 -5.866 1.00 0.00 O ATOM 0 H SER A 33 -14.614 0.608 -3.944 1.00 0.00 H new ATOM 0 HA SER A 33 -13.992 3.355 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.734 2.039 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.333 3.540 -4.939 1.00 0.00 H new ATOM 0 HG SER A 33 -16.458 1.753 -6.413 1.00 0.00 H new ATOM 546 N ASP A 34 -15.396 2.472 -1.485 1.00 0.00 N ATOM 547 CA ASP A 34 -15.780 2.937 -0.157 1.00 0.00 C ATOM 548 C ASP A 34 -14.550 3.318 0.662 1.00 0.00 C ATOM 549 O ASP A 34 -14.667 3.802 1.787 1.00 0.00 O ATOM 550 CB ASP A 34 -16.581 1.858 0.573 1.00 0.00 C ATOM 551 CG ASP A 34 -15.990 0.474 0.388 1.00 0.00 C ATOM 552 OD1 ASP A 34 -14.750 0.366 0.288 1.00 0.00 O ATOM 553 OD2 ASP A 34 -16.768 -0.502 0.344 1.00 0.00 O ATOM 0 H ASP A 34 -15.384 1.457 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.404 3.823 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.619 2.095 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.608 1.863 0.209 1.00 0.00 H new ATOM 558 N GLY A 35 -13.371 3.094 0.089 1.00 0.00 N ATOM 559 CA GLY A 35 -12.137 3.418 0.780 1.00 0.00 C ATOM 560 C GLY A 35 -11.416 2.185 1.288 1.00 0.00 C ATOM 561 O GLY A 35 -10.186 2.133 1.289 1.00 0.00 O ATOM 0 H GLY A 35 -13.249 2.694 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.480 3.967 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.357 4.078 1.619 1.00 0.00 H new ATOM 565 N HIS A 36 -12.183 1.189 1.722 1.00 0.00 N ATOM 566 CA HIS A 36 -11.609 -0.049 2.236 1.00 0.00 C ATOM 567 C HIS A 36 -10.513 -0.566 1.308 1.00 0.00 C ATOM 568 O HIS A 36 -10.676 -0.586 0.088 1.00 0.00 O ATOM 569 CB HIS A 36 -12.697 -1.111 2.399 1.00 0.00 C ATOM 570 CG HIS A 36 -13.373 -1.074 3.735 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.656 -0.601 3.916 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.939 -1.457 4.958 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.980 -0.693 5.193 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.956 -1.210 5.847 1.00 0.00 N ATOM 0 H HIS A 36 -13.203 1.216 1.728 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.167 0.161 3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.445 -0.976 1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.256 -2.097 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.972 -1.879 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.923 -0.396 5.628 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.925 -1.396 6.849 1.00 0.00 H new ATOM 583 N LEU A 37 -9.396 -0.982 1.895 1.00 0.00 N ATOM 584 CA LEU A 37 -8.272 -1.498 1.121 1.00 0.00 C ATOM 585 C LEU A 37 -7.973 -2.946 1.495 1.00 0.00 C ATOM 586 O LEU A 37 -7.848 -3.280 2.674 1.00 0.00 O ATOM 587 CB LEU A 37 -7.031 -0.634 1.349 1.00 0.00 C ATOM 588 CG LEU A 37 -5.730 -1.152 0.735 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.747 -0.982 -0.776 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.532 -0.436 1.341 1.00 0.00 C ATOM 0 H LEU A 37 -9.244 -0.972 2.904 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.543 -1.463 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.227 0.361 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.883 -0.522 2.423 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.644 -2.215 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.813 -1.356 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.583 -1.542 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.858 0.074 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.615 -0.817 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.612 0.634 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.510 -0.611 2.417 1.00 0.00 H new ATOM 602 N ILE A 38 -7.857 -3.801 0.484 1.00 0.00 N ATOM 603 CA ILE A 38 -7.569 -5.212 0.708 1.00 0.00 C ATOM 604 C ILE A 38 -6.494 -5.712 -0.252 1.00 0.00 C ATOM 605 O ILE A 38 -6.590 -5.518 -1.464 1.00 0.00 O ATOM 606 CB ILE A 38 -8.832 -6.078 0.541 1.00 0.00 C ATOM 607 CG1 ILE A 38 -10.004 -5.460 1.306 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.569 -7.497 1.021 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.322 -6.161 1.062 1.00 0.00 C ATOM 0 H ILE A 38 -7.958 -3.541 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.209 -5.302 1.733 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.092 -6.116 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.782 -5.481 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.101 -4.412 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.471 -8.096 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.759 -7.934 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.288 -7.479 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.107 -5.669 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.567 -6.117 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.243 -7.203 1.373 1.00 0.00 H new ATOM 621 N TYR A 39 -5.472 -6.359 0.299 1.00 0.00 N ATOM 622 CA TYR A 39 -4.378 -6.887 -0.508 1.00 0.00 C ATOM 623 C TYR A 39 -4.323 -8.409 -0.421 1.00 0.00 C ATOM 624 O TYR A 39 -4.786 -9.004 0.552 1.00 0.00 O ATOM 625 CB TYR A 39 -3.046 -6.290 -0.051 1.00 0.00 C ATOM 626 CG TYR A 39 -3.007 -5.952 1.422 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.659 -4.828 1.915 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.320 -6.757 2.322 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.626 -4.515 3.260 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.282 -6.453 3.669 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.936 -5.330 4.133 1.00 0.00 C ATOM 632 OH TYR A 39 -2.902 -5.023 5.474 1.00 0.00 O ATOM 0 H TYR A 39 -5.379 -6.530 1.300 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.557 -6.607 -1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.246 -6.995 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.845 -5.387 -0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.201 -4.188 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.806 -7.636 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.138 -3.637 3.626 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.744 -7.090 4.355 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.725 -4.553 5.723 1.00 0.00 H new ATOM 642 N TYR A 40 -3.753 -9.032 -1.446 1.00 0.00 N ATOM 643 CA TYR A 40 -3.638 -10.485 -1.488 1.00 0.00 C ATOM 644 C TYR A 40 -2.188 -10.911 -1.695 1.00 0.00 C ATOM 645 O TYR A 40 -1.327 -10.090 -2.014 1.00 0.00 O ATOM 646 CB TYR A 40 -4.513 -11.055 -2.606 1.00 0.00 C ATOM 647 CG TYR A 40 -5.951 -10.592 -2.546 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.280 -9.256 -2.739 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.981 -11.490 -2.296 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.592 -8.828 -2.684 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.296 -11.072 -2.241 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.596 -9.740 -2.435 1.00 0.00 C ATOM 653 OH TYR A 40 -9.905 -9.318 -2.380 1.00 0.00 O ATOM 0 H TYR A 40 -3.364 -8.554 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.980 -10.879 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.089 -10.771 -3.569 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.488 -12.144 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.496 -8.540 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.749 -12.534 -2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.830 -7.785 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.085 -11.784 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.488 -10.084 -2.197 1.00 0.00 H new ATOM 663 N ASP A 41 -1.925 -12.200 -1.511 1.00 0.00 N ATOM 664 CA ASP A 41 -0.579 -12.738 -1.679 1.00 0.00 C ATOM 665 C ASP A 41 -0.136 -12.649 -3.136 1.00 0.00 C ATOM 666 O ASP A 41 1.039 -12.427 -3.426 1.00 0.00 O ATOM 667 CB ASP A 41 -0.524 -14.190 -1.204 1.00 0.00 C ATOM 668 CG ASP A 41 0.875 -14.769 -1.271 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.763 -14.261 -0.553 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.083 -15.730 -2.040 1.00 0.00 O ATOM 0 H ASP A 41 -2.626 -12.892 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 41 0.103 -12.140 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.889 -14.248 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.194 -14.795 -1.815 1.00 0.00 H new ATOM 675 N ASP A 42 -1.085 -12.826 -4.049 1.00 0.00 N ATOM 676 CA ASP A 42 -0.793 -12.766 -5.477 1.00 0.00 C ATOM 677 C ASP A 42 -2.020 -12.317 -6.264 1.00 0.00 C ATOM 678 O ASP A 42 -3.066 -12.023 -5.686 1.00 0.00 O ATOM 679 CB ASP A 42 -0.320 -14.131 -5.980 1.00 0.00 C ATOM 680 CG ASP A 42 0.522 -14.866 -4.955 1.00 0.00 C ATOM 681 OD1 ASP A 42 1.696 -14.483 -4.767 1.00 0.00 O ATOM 682 OD2 ASP A 42 0.006 -15.823 -4.341 1.00 0.00 O ATOM 0 H ASP A 42 -2.063 -13.012 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 42 0.002 -12.036 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.186 -14.740 -6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.259 -13.997 -6.894 1.00 0.00 H new ATOM 687 N GLN A 43 -1.884 -12.266 -7.585 1.00 0.00 N ATOM 688 CA GLN A 43 -2.981 -11.851 -8.451 1.00 0.00 C ATOM 689 C GLN A 43 -4.125 -12.858 -8.400 1.00 0.00 C ATOM 690 O GLN A 43 -5.281 -12.515 -8.653 1.00 0.00 O ATOM 691 CB GLN A 43 -2.490 -11.691 -9.891 1.00 0.00 C ATOM 692 CG GLN A 43 -3.415 -10.853 -10.759 1.00 0.00 C ATOM 693 CD GLN A 43 -4.727 -11.551 -11.057 1.00 0.00 C ATOM 694 OE1 GLN A 43 -5.803 -11.023 -10.772 1.00 0.00 O ATOM 695 NE2 GLN A 43 -4.646 -12.744 -11.634 1.00 0.00 N ATOM 0 H GLN A 43 -1.025 -12.507 -8.079 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.350 -10.890 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.501 -11.233 -9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.379 -12.678 -10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.617 -9.906 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.912 -10.617 -11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.733 -13.144 -11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.496 -13.261 -11.859 1.00 0.00 H new ATOM 704 N THR A 44 -3.797 -14.104 -8.071 1.00 0.00 N ATOM 705 CA THR A 44 -4.796 -15.161 -7.989 1.00 0.00 C ATOM 706 C THR A 44 -5.912 -14.789 -7.019 1.00 0.00 C ATOM 707 O THR A 44 -7.050 -15.233 -7.168 1.00 0.00 O ATOM 708 CB THR A 44 -4.168 -16.495 -7.543 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.299 -16.278 -6.425 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.387 -17.133 -8.682 1.00 0.00 C ATOM 0 H THR A 44 -2.846 -14.405 -7.857 1.00 0.00 H new ATOM 0 HA THR A 44 -5.212 -15.280 -8.989 1.00 0.00 H new ATOM 0 HB THR A 44 -4.972 -17.170 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.905 -17.131 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.953 -18.074 -8.343 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.057 -17.324 -9.520 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.591 -16.459 -8.999 1.00 0.00 H new ATOM 718 N ARG A 45 -5.578 -13.971 -6.026 1.00 0.00 N ATOM 719 CA ARG A 45 -6.553 -13.539 -5.032 1.00 0.00 C ATOM 720 C ARG A 45 -7.164 -14.739 -4.314 1.00 0.00 C ATOM 721 O ARG A 45 -8.363 -14.763 -4.037 1.00 0.00 O ATOM 722 CB ARG A 45 -7.656 -12.711 -5.693 1.00 0.00 C ATOM 723 CG ARG A 45 -7.184 -11.353 -6.186 1.00 0.00 C ATOM 724 CD ARG A 45 -8.327 -10.350 -6.234 1.00 0.00 C ATOM 725 NE ARG A 45 -8.119 -9.332 -7.260 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.081 -9.598 -8.561 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.235 -10.842 -8.992 1.00 0.00 N ATOM 728 NH2 ARG A 45 -7.888 -8.617 -9.434 1.00 0.00 N ATOM 0 H ARG A 45 -4.640 -13.594 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.036 -12.921 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.065 -13.271 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.468 -12.567 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.398 -10.979 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.747 -11.457 -7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.262 -10.875 -6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.428 -9.869 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.996 -8.364 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.383 -11.598 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.205 -11.043 -9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.769 -7.659 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.859 -8.822 -10.433 1.00 0.00 H new ATOM 742 N GLN A 46 -6.332 -15.731 -4.016 1.00 0.00 N ATOM 743 CA GLN A 46 -6.791 -16.934 -3.331 1.00 0.00 C ATOM 744 C GLN A 46 -6.583 -16.816 -1.825 1.00 0.00 C ATOM 745 O GLN A 46 -7.435 -17.226 -1.037 1.00 0.00 O ATOM 746 CB GLN A 46 -6.055 -18.163 -3.866 1.00 0.00 C ATOM 747 CG GLN A 46 -6.544 -18.620 -5.231 1.00 0.00 C ATOM 748 CD GLN A 46 -5.746 -19.788 -5.776 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.217 -20.601 -5.018 1.00 0.00 O ATOM 750 NE2 GLN A 46 -5.655 -19.878 -7.098 1.00 0.00 N ATOM 0 H GLN A 46 -5.336 -15.726 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.858 -17.047 -3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.990 -17.940 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.169 -18.982 -3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.594 -18.904 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.486 -17.787 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.109 -19.182 -7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.131 -20.643 -7.522 1.00 0.00 H new ATOM 759 N SER A 47 -5.444 -16.254 -1.433 1.00 0.00 N ATOM 760 CA SER A 47 -5.122 -16.086 -0.020 1.00 0.00 C ATOM 761 C SER A 47 -5.138 -14.611 0.369 1.00 0.00 C ATOM 762 O SER A 47 -4.207 -13.866 0.059 1.00 0.00 O ATOM 763 CB SER A 47 -3.751 -16.692 0.287 1.00 0.00 C ATOM 764 OG SER A 47 -3.841 -18.095 0.463 1.00 0.00 O ATOM 0 H SER A 47 -4.729 -15.908 -2.073 1.00 0.00 H new ATOM 0 HA SER A 47 -5.881 -16.606 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.061 -16.468 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.341 -16.235 1.188 1.00 0.00 H new ATOM 0 HG SER A 47 -2.952 -18.458 0.656 1.00 0.00 H new ATOM 770 N ILE A 48 -6.201 -14.197 1.049 1.00 0.00 N ATOM 771 CA ILE A 48 -6.338 -12.812 1.482 1.00 0.00 C ATOM 772 C ILE A 48 -5.335 -12.477 2.580 1.00 0.00 C ATOM 773 O ILE A 48 -5.468 -12.932 3.716 1.00 0.00 O ATOM 774 CB ILE A 48 -7.761 -12.521 1.996 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.790 -12.799 0.899 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.866 -11.081 2.477 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.204 -12.940 1.418 1.00 0.00 C ATOM 0 H ILE A 48 -6.980 -14.801 1.312 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.140 -12.188 0.610 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.969 -13.181 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.759 -11.990 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.512 -13.713 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.877 -10.890 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.155 -10.915 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.641 -10.405 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.879 -13.136 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.251 -13.768 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.502 -12.018 1.918 1.00 0.00 H new ATOM 789 N GLU A 49 -4.331 -11.677 2.233 1.00 0.00 N ATOM 790 CA GLU A 49 -3.305 -11.281 3.191 1.00 0.00 C ATOM 791 C GLU A 49 -3.931 -10.629 4.420 1.00 0.00 C ATOM 792 O GLU A 49 -3.819 -11.143 5.533 1.00 0.00 O ATOM 793 CB GLU A 49 -2.313 -10.316 2.538 1.00 0.00 C ATOM 794 CG GLU A 49 -1.136 -11.010 1.874 1.00 0.00 C ATOM 795 CD GLU A 49 0.076 -10.108 1.745 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.018 -9.086 1.033 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.119 -10.424 2.355 1.00 0.00 O ATOM 0 H GLU A 49 -4.206 -11.291 1.297 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.774 -12.178 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.838 -9.717 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.938 -9.627 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.867 -11.894 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.434 -11.356 0.884 1.00 0.00 H new ATOM 804 N ASP A 50 -4.590 -9.495 4.211 1.00 0.00 N ATOM 805 CA ASP A 50 -5.235 -8.772 5.301 1.00 0.00 C ATOM 806 C ASP A 50 -6.155 -7.682 4.761 1.00 0.00 C ATOM 807 O ASP A 50 -6.247 -7.475 3.551 1.00 0.00 O ATOM 808 CB ASP A 50 -4.183 -8.158 6.226 1.00 0.00 C ATOM 809 CG ASP A 50 -4.734 -7.848 7.604 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.918 -8.795 8.397 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.981 -6.658 7.890 1.00 0.00 O ATOM 0 H ASP A 50 -4.692 -9.056 3.296 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.837 -9.481 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.341 -8.844 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.799 -7.242 5.777 1.00 0.00 H new ATOM 816 N LYS A 51 -6.835 -6.987 5.666 1.00 0.00 N ATOM 817 CA LYS A 51 -7.748 -5.917 5.283 1.00 0.00 C ATOM 818 C LYS A 51 -7.587 -4.709 6.200 1.00 0.00 C ATOM 819 O LYS A 51 -7.489 -4.851 7.419 1.00 0.00 O ATOM 820 CB LYS A 51 -9.195 -6.414 5.326 1.00 0.00 C ATOM 821 CG LYS A 51 -10.207 -5.317 5.608 1.00 0.00 C ATOM 822 CD LYS A 51 -11.607 -5.881 5.785 1.00 0.00 C ATOM 823 CE LYS A 51 -12.242 -6.225 4.446 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.577 -6.863 4.613 1.00 0.00 N ATOM 0 H LYS A 51 -6.771 -7.146 6.671 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.504 -5.613 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.437 -6.884 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.283 -7.184 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.916 -4.775 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.204 -4.599 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.565 -6.774 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.229 -5.155 6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.345 -5.319 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.585 -6.897 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.976 -7.082 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.476 -7.741 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.212 -6.212 5.117 1.00 0.00 H new ATOM 838 N VAL A 52 -7.562 -3.520 5.606 1.00 0.00 N ATOM 839 CA VAL A 52 -7.416 -2.287 6.370 1.00 0.00 C ATOM 840 C VAL A 52 -8.074 -1.114 5.652 1.00 0.00 C ATOM 841 O VAL A 52 -8.026 -1.017 4.425 1.00 0.00 O ATOM 842 CB VAL A 52 -5.933 -1.955 6.621 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.775 -0.502 7.044 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.347 -2.890 7.667 1.00 0.00 C ATOM 0 H VAL A 52 -7.641 -3.385 4.598 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.912 -2.447 7.327 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.384 -2.099 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.721 -0.286 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.155 0.149 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.336 -0.327 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.299 -2.641 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.897 -2.781 8.602 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.425 -3.920 7.319 1.00 0.00 H new ATOM 854 N HIS A 53 -8.688 -0.224 6.424 1.00 0.00 N ATOM 855 CA HIS A 53 -9.356 0.945 5.862 1.00 0.00 C ATOM 856 C HIS A 53 -8.384 2.113 5.727 1.00 0.00 C ATOM 857 O HIS A 53 -7.286 2.087 6.282 1.00 0.00 O ATOM 858 CB HIS A 53 -10.542 1.351 6.737 1.00 0.00 C ATOM 859 CG HIS A 53 -11.696 1.908 5.961 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.898 2.251 6.543 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.826 2.182 4.642 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.718 2.711 5.615 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.092 2.680 4.452 1.00 0.00 N ATOM 0 H HIS A 53 -8.737 -0.289 7.441 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.721 0.682 4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.880 0.482 7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.210 2.094 7.462 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.074 2.036 3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.729 3.054 5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.485 2.977 3.559 1.00 0.00 H new ATOM 872 N MET A 54 -8.796 3.137 4.986 1.00 0.00 N ATOM 873 CA MET A 54 -7.961 4.314 4.778 1.00 0.00 C ATOM 874 C MET A 54 -8.406 5.461 5.680 1.00 0.00 C ATOM 875 O MET A 54 -7.720 5.838 6.630 1.00 0.00 O ATOM 876 CB MET A 54 -8.014 4.752 3.313 1.00 0.00 C ATOM 877 CG MET A 54 -6.866 4.212 2.476 1.00 0.00 C ATOM 878 SD MET A 54 -5.253 4.728 3.094 1.00 0.00 S ATOM 879 CE MET A 54 -5.442 6.509 3.089 1.00 0.00 C ATOM 0 H MET A 54 -9.703 3.175 4.520 1.00 0.00 H new ATOM 0 HA MET A 54 -6.935 4.050 5.033 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.957 4.422 2.877 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.005 5.841 3.267 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.913 3.123 2.461 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.982 4.551 1.446 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.470 6.978 3.239 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.855 6.828 2.132 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.116 6.806 3.893 1.00 0.00 H new ATOM 889 N PRO A 55 -9.582 6.032 5.377 1.00 0.00 N ATOM 890 CA PRO A 55 -10.144 7.144 6.149 1.00 0.00 C ATOM 891 C PRO A 55 -10.600 6.713 7.539 1.00 0.00 C ATOM 892 O PRO A 55 -11.146 7.512 8.300 1.00 0.00 O ATOM 893 CB PRO A 55 -11.343 7.589 5.308 1.00 0.00 C ATOM 894 CG PRO A 55 -11.731 6.378 4.531 1.00 0.00 C ATOM 895 CD PRO A 55 -10.453 5.634 4.259 1.00 0.00 C ATOM 0 HA PRO A 55 -9.411 7.932 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.162 7.934 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.079 8.415 4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.430 5.760 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.228 6.654 3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.612 4.556 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.023 5.912 3.296 1.00 0.00 H new ATOM 903 N VAL A 56 -10.371 5.445 7.865 1.00 0.00 N ATOM 904 CA VAL A 56 -10.757 4.908 9.165 1.00 0.00 C ATOM 905 C VAL A 56 -9.550 4.342 9.905 1.00 0.00 C ATOM 906 O VAL A 56 -9.318 4.661 11.071 1.00 0.00 O ATOM 907 CB VAL A 56 -11.823 3.806 9.023 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.750 2.839 10.195 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.211 4.418 8.912 1.00 0.00 C ATOM 0 H VAL A 56 -9.920 4.770 7.247 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.176 5.735 9.738 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.624 3.247 8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.511 2.067 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.764 2.375 10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.923 3.381 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.952 3.624 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.424 5.002 9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.254 5.066 8.037 1.00 0.00 H new ATOM 919 N ASP A 57 -8.785 3.499 9.220 1.00 0.00 N ATOM 920 CA ASP A 57 -7.601 2.888 9.812 1.00 0.00 C ATOM 921 C ASP A 57 -6.384 3.795 9.653 1.00 0.00 C ATOM 922 O ASP A 57 -5.603 3.972 10.588 1.00 0.00 O ATOM 923 CB ASP A 57 -7.327 1.528 9.169 1.00 0.00 C ATOM 924 CG ASP A 57 -6.688 0.549 10.134 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.215 0.391 11.254 1.00 0.00 O ATOM 926 OD2 ASP A 57 -5.659 -0.059 9.768 1.00 0.00 O ATOM 0 H ASP A 57 -8.964 3.223 8.254 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.789 2.746 10.876 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.263 1.110 8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.674 1.662 8.307 1.00 0.00 H new ATOM 931 N CYS A 58 -6.230 4.364 8.463 1.00 0.00 N ATOM 932 CA CYS A 58 -5.107 5.252 8.180 1.00 0.00 C ATOM 933 C CYS A 58 -5.427 6.683 8.597 1.00 0.00 C ATOM 934 O CYS A 58 -6.507 7.198 8.306 1.00 0.00 O ATOM 935 CB CYS A 58 -4.757 5.207 6.692 1.00 0.00 C ATOM 936 SG CYS A 58 -3.833 6.647 6.107 1.00 0.00 S ATOM 0 H CYS A 58 -6.868 4.227 7.679 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.249 4.908 8.758 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.172 4.309 6.494 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.678 5.121 6.116 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.699 6.721 6.739 1.00 0.00 H new ATOM 942 N ILE A 59 -4.482 7.320 9.281 1.00 0.00 N ATOM 943 CA ILE A 59 -4.664 8.692 9.738 1.00 0.00 C ATOM 944 C ILE A 59 -3.723 9.644 9.008 1.00 0.00 C ATOM 945 O ILE A 59 -4.046 10.812 8.797 1.00 0.00 O ATOM 946 CB ILE A 59 -4.428 8.816 11.254 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.079 8.203 11.634 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.556 8.144 12.023 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.523 8.727 12.940 1.00 0.00 C ATOM 0 H ILE A 59 -3.583 6.908 9.531 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.696 8.964 9.516 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.413 9.873 11.519 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.188 7.121 11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.362 8.401 10.838 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.374 8.240 13.093 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.503 8.621 11.771 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.600 7.088 11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.565 8.249 13.146 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.382 9.805 12.869 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.221 8.505 13.748 1.00 0.00 H new ATOM 961 N ASN A 60 -2.556 9.135 8.624 1.00 0.00 N ATOM 962 CA ASN A 60 -1.567 9.940 7.917 1.00 0.00 C ATOM 963 C ASN A 60 -0.839 9.107 6.866 1.00 0.00 C ATOM 964 O ASN A 60 -0.623 7.909 7.050 1.00 0.00 O ATOM 965 CB ASN A 60 -0.559 10.531 8.904 1.00 0.00 C ATOM 966 CG ASN A 60 0.505 11.363 8.215 1.00 0.00 C ATOM 967 OD1 ASN A 60 1.419 10.826 7.589 1.00 0.00 O ATOM 968 ND2 ASN A 60 0.392 12.681 8.329 1.00 0.00 N ATOM 0 H ASN A 60 -2.273 8.169 8.791 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.090 10.753 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.086 11.149 9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.082 9.723 9.459 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.079 13.292 7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.382 13.083 8.858 1.00 0.00 H new ATOM 975 N ILE A 61 -0.462 9.750 5.766 1.00 0.00 N ATOM 976 CA ILE A 61 0.244 9.069 4.688 1.00 0.00 C ATOM 977 C ILE A 61 1.650 9.632 4.509 1.00 0.00 C ATOM 978 O ILE A 61 1.822 10.799 4.158 1.00 0.00 O ATOM 979 CB ILE A 61 -0.517 9.186 3.355 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.948 8.668 3.512 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.211 8.421 2.260 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.874 9.103 2.398 1.00 0.00 C ATOM 0 H ILE A 61 -0.634 10.741 5.598 1.00 0.00 H new ATOM 0 HA ILE A 61 0.309 8.018 4.969 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.560 10.237 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.929 7.579 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.349 9.016 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.340 8.513 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.213 8.831 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.282 7.369 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.871 8.699 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.923 10.192 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.496 8.732 1.445 1.00 0.00 H new ATOM 994 N ARG A 62 2.652 8.794 4.751 1.00 0.00 N ATOM 995 CA ARG A 62 4.044 9.208 4.616 1.00 0.00 C ATOM 996 C ARG A 62 4.673 8.599 3.367 1.00 0.00 C ATOM 997 O ARG A 62 4.457 7.427 3.056 1.00 0.00 O ATOM 998 CB ARG A 62 4.843 8.797 5.855 1.00 0.00 C ATOM 999 CG ARG A 62 4.315 9.398 7.147 1.00 0.00 C ATOM 1000 CD ARG A 62 4.914 8.713 8.365 1.00 0.00 C ATOM 1001 NE ARG A 62 4.672 9.468 9.592 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.145 9.110 10.781 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.881 8.014 10.902 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.882 9.849 11.851 1.00 0.00 N ATOM 0 H ARG A 62 2.527 7.824 5.042 1.00 0.00 H new ATOM 0 HA ARG A 62 4.067 10.294 4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.833 7.710 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.882 9.097 5.723 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.547 10.463 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.229 9.308 7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.489 7.714 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.987 8.590 8.221 1.00 0.00 H new ATOM 0 HE ARG A 62 4.109 10.317 9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.085 7.444 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.243 7.741 11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.316 10.693 11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.246 9.573 12.763 1.00 0.00 H new ATOM 1018 N THR A 63 5.454 9.404 2.652 1.00 0.00 N ATOM 1019 CA THR A 63 6.113 8.946 1.435 1.00 0.00 C ATOM 1020 C THR A 63 7.495 9.573 1.290 1.00 0.00 C ATOM 1021 O THR A 63 7.799 10.582 1.924 1.00 0.00 O ATOM 1022 CB THR A 63 5.277 9.277 0.184 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.219 10.695 -0.005 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.868 8.719 0.312 1.00 0.00 C ATOM 0 H THR A 63 5.645 10.376 2.895 1.00 0.00 H new ATOM 0 HA THR A 63 6.214 7.864 1.518 1.00 0.00 H new ATOM 0 HB THR A 63 5.756 8.815 -0.679 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.687 10.897 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.296 8.965 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.915 7.636 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.382 9.155 1.184 1.00 0.00 H new ATOM 1032 N GLY A 64 8.329 8.969 0.448 1.00 0.00 N ATOM 1033 CA GLY A 64 9.669 9.483 0.234 1.00 0.00 C ATOM 1034 C GLY A 64 10.531 9.391 1.478 1.00 0.00 C ATOM 1035 O GLY A 64 11.044 8.321 1.808 1.00 0.00 O ATOM 0 H GLY A 64 8.100 8.133 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.143 8.927 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.609 10.523 -0.087 1.00 0.00 H new ATOM 1039 N HIS A 65 10.692 10.514 2.169 1.00 0.00 N ATOM 1040 CA HIS A 65 11.499 10.556 3.383 1.00 0.00 C ATOM 1041 C HIS A 65 10.612 10.597 4.624 1.00 0.00 C ATOM 1042 O HIS A 65 10.981 10.080 5.679 1.00 0.00 O ATOM 1043 CB HIS A 65 12.426 11.772 3.364 1.00 0.00 C ATOM 1044 CG HIS A 65 13.719 11.528 2.650 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.055 12.150 1.466 1.00 0.00 N ATOM 1046 CD2 HIS A 65 14.764 10.724 2.960 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.249 11.739 1.078 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.701 10.874 1.968 1.00 0.00 N ATOM 0 H HIS A 65 10.274 11.408 1.909 1.00 0.00 H new ATOM 0 HA HIS A 65 12.103 9.649 3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.909 12.605 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.638 12.073 4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.845 10.084 3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.767 12.056 0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.601 10.395 1.925 1.00 0.00 H new ATOM 1057 N GLU A 66 9.443 11.215 4.490 1.00 0.00 N ATOM 1058 CA GLU A 66 8.506 11.324 5.602 1.00 0.00 C ATOM 1059 C GLU A 66 8.423 10.011 6.375 1.00 0.00 C ATOM 1060 O GLU A 66 8.545 9.991 7.601 1.00 0.00 O ATOM 1061 CB GLU A 66 7.118 11.715 5.091 1.00 0.00 C ATOM 1062 CG GLU A 66 6.952 13.208 4.863 1.00 0.00 C ATOM 1063 CD GLU A 66 6.452 13.935 6.097 1.00 0.00 C ATOM 1064 OE1 GLU A 66 7.286 14.285 6.958 1.00 0.00 O ATOM 1065 OE2 GLU A 66 5.227 14.152 6.202 1.00 0.00 O ATOM 0 H GLU A 66 9.122 11.647 3.624 1.00 0.00 H new ATOM 0 HA GLU A 66 8.870 12.100 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.923 11.189 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.368 11.380 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.908 13.634 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.254 13.371 4.042 1.00 0.00 H new ATOM 1072 N CYS A 67 8.216 8.917 5.651 1.00 0.00 N ATOM 1073 CA CYS A 67 8.116 7.599 6.268 1.00 0.00 C ATOM 1074 C CYS A 67 9.143 7.442 7.385 1.00 0.00 C ATOM 1075 O CYS A 67 10.119 8.190 7.454 1.00 0.00 O ATOM 1076 CB CYS A 67 8.316 6.505 5.218 1.00 0.00 C ATOM 1077 SG CYS A 67 9.373 6.993 3.835 1.00 0.00 S ATOM 0 H CYS A 67 8.114 8.916 4.636 1.00 0.00 H new ATOM 0 HA CYS A 67 7.120 7.502 6.699 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.749 5.628 5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.342 6.207 4.829 1.00 0.00 H new ATOM 0 HG CYS A 67 9.483 6.001 3.002 1.00 0.00 H new ATOM 1083 N ARG A 68 8.915 6.467 8.259 1.00 0.00 N ATOM 1084 CA ARG A 68 9.818 6.214 9.374 1.00 0.00 C ATOM 1085 C ARG A 68 11.258 6.073 8.887 1.00 0.00 C ATOM 1086 O ARG A 68 11.549 6.288 7.711 1.00 0.00 O ATOM 1087 CB ARG A 68 9.396 4.949 10.124 1.00 0.00 C ATOM 1088 CG ARG A 68 8.295 5.186 11.146 1.00 0.00 C ATOM 1089 CD ARG A 68 8.155 4.008 12.097 1.00 0.00 C ATOM 1090 NE ARG A 68 7.169 4.263 13.143 1.00 0.00 N ATOM 1091 CZ ARG A 68 6.852 3.382 14.085 1.00 0.00 C ATOM 1092 NH1 ARG A 68 7.441 2.195 14.112 1.00 0.00 N ATOM 1093 NH2 ARG A 68 5.944 3.688 15.003 1.00 0.00 N ATOM 0 H ARG A 68 8.112 5.839 8.216 1.00 0.00 H new ATOM 0 HA ARG A 68 9.764 7.065 10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.057 4.205 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.266 4.529 10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.513 6.090 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.349 5.354 10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.865 3.121 11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.121 3.794 12.554 1.00 0.00 H new ATOM 0 HE ARG A 68 6.698 5.168 13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.140 1.956 13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.196 1.520 14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.489 4.601 14.986 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.701 3.011 15.726 1.00 0.00 H new ATOM 1107 N ASP A 69 12.152 5.710 9.800 1.00 0.00 N ATOM 1108 CA ASP A 69 13.561 5.539 9.464 1.00 0.00 C ATOM 1109 C ASP A 69 13.782 4.244 8.689 1.00 0.00 C ATOM 1110 O ASP A 69 14.702 3.481 8.986 1.00 0.00 O ATOM 1111 CB ASP A 69 14.414 5.541 10.733 1.00 0.00 C ATOM 1112 CG ASP A 69 14.585 6.931 11.314 1.00 0.00 C ATOM 1113 OD1 ASP A 69 14.989 7.842 10.562 1.00 0.00 O ATOM 1114 OD2 ASP A 69 14.316 7.107 12.521 1.00 0.00 O ATOM 0 H ASP A 69 11.926 5.529 10.778 1.00 0.00 H new ATOM 0 HA ASP A 69 13.862 6.375 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.953 4.893 11.478 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.395 5.121 10.509 1.00 0.00 H new ATOM 1119 N ILE A 70 12.931 4.001 7.698 1.00 0.00 N ATOM 1120 CA ILE A 70 13.033 2.798 6.882 1.00 0.00 C ATOM 1121 C ILE A 70 14.045 2.982 5.756 1.00 0.00 C ATOM 1122 O ILE A 70 14.718 4.009 5.675 1.00 0.00 O ATOM 1123 CB ILE A 70 11.672 2.411 6.275 1.00 0.00 C ATOM 1124 CG1 ILE A 70 11.446 3.155 4.957 1.00 0.00 C ATOM 1125 CG2 ILE A 70 10.550 2.712 7.258 1.00 0.00 C ATOM 1126 CD1 ILE A 70 10.063 2.955 4.379 1.00 0.00 C ATOM 0 H ILE A 70 12.163 4.621 7.441 1.00 0.00 H new ATOM 0 HA ILE A 70 13.368 1.997 7.542 1.00 0.00 H new ATOM 0 HB ILE A 70 11.673 1.340 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.613 4.220 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.186 2.822 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.594 2.433 6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.706 2.142 8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.546 3.777 7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.975 3.511 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.899 1.895 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.317 3.315 5.088 1.00 0.00 H new ATOM 1138 N GLN A 71 14.145 1.980 4.888 1.00 0.00 N ATOM 1139 CA GLN A 71 15.074 2.033 3.765 1.00 0.00 C ATOM 1140 C GLN A 71 14.544 1.229 2.582 1.00 0.00 C ATOM 1141 O GLN A 71 14.011 0.129 2.736 1.00 0.00 O ATOM 1142 CB GLN A 71 16.445 1.501 4.185 1.00 0.00 C ATOM 1143 CG GLN A 71 16.465 0.002 4.438 1.00 0.00 C ATOM 1144 CD GLN A 71 17.696 -0.445 5.200 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.402 0.370 5.795 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.962 -1.746 5.186 1.00 0.00 N ATOM 0 H GLN A 71 13.595 1.123 4.941 1.00 0.00 H new ATOM 0 HA GLN A 71 15.175 3.074 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.172 1.740 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.764 2.018 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.573 -0.280 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.422 -0.524 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.350 -2.386 4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.778 -2.105 5.681 1.00 0.00 H new ATOM 1155 N PRO A 72 14.692 1.788 1.372 1.00 0.00 N ATOM 1156 CA PRO A 72 14.234 1.141 0.139 1.00 0.00 C ATOM 1157 C PRO A 72 15.071 -0.084 -0.217 1.00 0.00 C ATOM 1158 O PRO A 72 16.200 -0.250 0.245 1.00 0.00 O ATOM 1159 CB PRO A 72 14.407 2.232 -0.920 1.00 0.00 C ATOM 1160 CG PRO A 72 15.477 3.118 -0.381 1.00 0.00 C ATOM 1161 CD PRO A 72 15.317 3.096 1.114 1.00 0.00 C ATOM 0 HA PRO A 72 13.212 0.772 0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.692 1.808 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.479 2.782 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.464 2.760 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.377 4.132 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.277 3.190 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.690 3.917 1.463 1.00 0.00 H new ATOM 1169 N PRO A 73 14.506 -0.963 -1.058 1.00 0.00 N ATOM 1170 CA PRO A 73 15.183 -2.187 -1.496 1.00 0.00 C ATOM 1171 C PRO A 73 16.356 -1.900 -2.427 1.00 0.00 C ATOM 1172 O PRO A 73 16.836 -0.769 -2.506 1.00 0.00 O ATOM 1173 CB PRO A 73 14.086 -2.953 -2.238 1.00 0.00 C ATOM 1174 CG PRO A 73 13.136 -1.902 -2.700 1.00 0.00 C ATOM 1175 CD PRO A 73 13.163 -0.829 -1.648 1.00 0.00 C ATOM 0 HA PRO A 73 15.614 -2.736 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.494 -3.515 -3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.593 -3.672 -1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.435 -1.505 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.131 -2.308 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.010 0.160 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.381 -0.976 -0.904 1.00 0.00 H new ATOM 1183 N ASP A 74 16.813 -2.930 -3.130 1.00 0.00 N ATOM 1184 CA ASP A 74 17.929 -2.788 -4.058 1.00 0.00 C ATOM 1185 C ASP A 74 17.428 -2.609 -5.488 1.00 0.00 C ATOM 1186 O ASP A 74 16.737 -3.472 -6.027 1.00 0.00 O ATOM 1187 CB ASP A 74 18.847 -4.008 -3.975 1.00 0.00 C ATOM 1188 CG ASP A 74 18.198 -5.261 -4.529 1.00 0.00 C ATOM 1189 OD1 ASP A 74 17.005 -5.489 -4.237 1.00 0.00 O ATOM 1190 OD2 ASP A 74 18.882 -6.013 -5.254 1.00 0.00 O ATOM 0 H ASP A 74 16.428 -3.873 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 74 18.493 -1.899 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.766 -3.805 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.128 -4.177 -2.936 1.00 0.00 H new ATOM 1195 N GLY A 75 17.781 -1.481 -6.096 1.00 0.00 N ATOM 1196 CA GLY A 75 17.358 -1.208 -7.457 1.00 0.00 C ATOM 1197 C GLY A 75 16.184 -0.252 -7.519 1.00 0.00 C ATOM 1198 O GLY A 75 15.784 0.185 -8.598 1.00 0.00 O ATOM 0 H GLY A 75 18.352 -0.751 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.194 -0.788 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.086 -2.144 -7.944 1.00 0.00 H new ATOM 1202 N LYS A 76 15.628 0.075 -6.357 1.00 0.00 N ATOM 1203 CA LYS A 76 14.492 0.986 -6.282 1.00 0.00 C ATOM 1204 C LYS A 76 14.867 2.263 -5.536 1.00 0.00 C ATOM 1205 O LYS A 76 15.595 2.240 -4.544 1.00 0.00 O ATOM 1206 CB LYS A 76 13.311 0.305 -5.586 1.00 0.00 C ATOM 1207 CG LYS A 76 13.073 -1.122 -6.049 1.00 0.00 C ATOM 1208 CD LYS A 76 12.673 -1.174 -7.514 1.00 0.00 C ATOM 1209 CE LYS A 76 11.163 -1.091 -7.682 1.00 0.00 C ATOM 1210 NZ LYS A 76 10.700 -1.821 -8.895 1.00 0.00 N ATOM 0 H LYS A 76 15.946 -0.278 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 76 14.203 1.251 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.485 0.305 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.409 0.891 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.978 -1.710 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.291 -1.577 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.146 -0.352 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.040 -2.099 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.676 -1.506 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.862 -0.046 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.732 -2.169 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.712 -1.178 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.332 -2.626 -9.078 1.00 0.00 H new ATOM 1224 N PRO A 77 14.358 3.405 -6.022 1.00 0.00 N ATOM 1225 CA PRO A 77 14.624 4.712 -5.415 1.00 0.00 C ATOM 1226 C PRO A 77 13.944 4.872 -4.060 1.00 0.00 C ATOM 1227 O PRO A 77 13.367 3.923 -3.529 1.00 0.00 O ATOM 1228 CB PRO A 77 14.038 5.699 -6.428 1.00 0.00 C ATOM 1229 CG PRO A 77 12.986 4.926 -7.146 1.00 0.00 C ATOM 1230 CD PRO A 77 13.482 3.507 -7.202 1.00 0.00 C ATOM 0 HA PRO A 77 15.686 4.861 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.617 6.573 -5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.802 6.061 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.032 4.986 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.825 5.323 -8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.661 2.792 -7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.026 3.308 -8.125 1.00 0.00 H new ATOM 1238 N ARG A 78 14.016 6.078 -3.506 1.00 0.00 N ATOM 1239 CA ARG A 78 13.407 6.361 -2.211 1.00 0.00 C ATOM 1240 C ARG A 78 12.031 6.996 -2.385 1.00 0.00 C ATOM 1241 O ARG A 78 11.131 6.784 -1.572 1.00 0.00 O ATOM 1242 CB ARG A 78 14.308 7.286 -1.392 1.00 0.00 C ATOM 1243 CG ARG A 78 14.060 7.209 0.106 1.00 0.00 C ATOM 1244 CD ARG A 78 14.792 8.314 0.850 1.00 0.00 C ATOM 1245 NE ARG A 78 16.191 7.975 1.095 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.586 7.099 2.012 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.691 6.477 2.767 1.00 0.00 N ATOM 1248 NH2 ARG A 78 17.878 6.843 2.175 1.00 0.00 N ATOM 0 H ARG A 78 14.489 6.874 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 78 13.288 5.417 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.350 7.035 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.158 8.313 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.991 7.283 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.387 6.239 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.738 9.237 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.293 8.503 1.800 1.00 0.00 H new ATOM 0 HE ARG A 78 16.904 8.436 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.697 6.671 2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.996 5.805 3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.569 7.319 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.180 6.170 2.880 1.00 0.00 H new ATOM 1262 N ASP A 79 11.875 7.775 -3.449 1.00 0.00 N ATOM 1263 CA ASP A 79 10.608 8.441 -3.730 1.00 0.00 C ATOM 1264 C ASP A 79 9.502 7.421 -3.984 1.00 0.00 C ATOM 1265 O ASP A 79 8.318 7.757 -3.964 1.00 0.00 O ATOM 1266 CB ASP A 79 10.752 9.367 -4.939 1.00 0.00 C ATOM 1267 CG ASP A 79 11.926 10.316 -4.805 1.00 0.00 C ATOM 1268 OD1 ASP A 79 13.075 9.870 -5.006 1.00 0.00 O ATOM 1269 OD2 ASP A 79 11.697 11.505 -4.498 1.00 0.00 O ATOM 0 H ASP A 79 12.610 7.961 -4.132 1.00 0.00 H new ATOM 0 HA ASP A 79 10.336 9.035 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.875 8.766 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.835 9.943 -5.063 1.00 0.00 H new ATOM 1274 N CYS A 80 9.897 6.176 -4.223 1.00 0.00 N ATOM 1275 CA CYS A 80 8.940 5.106 -4.483 1.00 0.00 C ATOM 1276 C CYS A 80 8.529 4.417 -3.185 1.00 0.00 C ATOM 1277 O CYS A 80 7.845 3.393 -3.203 1.00 0.00 O ATOM 1278 CB CYS A 80 9.536 4.084 -5.451 1.00 0.00 C ATOM 1279 SG CYS A 80 9.378 4.538 -7.194 1.00 0.00 S ATOM 0 H CYS A 80 10.874 5.882 -4.242 1.00 0.00 H new ATOM 0 HA CYS A 80 8.052 5.548 -4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.592 3.950 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.049 3.122 -5.292 1.00 0.00 H new ATOM 0 HG CYS A 80 9.914 3.613 -7.934 1.00 0.00 H new ATOM 1285 N LEU A 81 8.952 4.984 -2.061 1.00 0.00 N ATOM 1286 CA LEU A 81 8.630 4.424 -0.753 1.00 0.00 C ATOM 1287 C LEU A 81 7.314 4.988 -0.228 1.00 0.00 C ATOM 1288 O LEU A 81 7.194 6.190 0.015 1.00 0.00 O ATOM 1289 CB LEU A 81 9.756 4.716 0.240 1.00 0.00 C ATOM 1290 CG LEU A 81 11.002 3.839 0.119 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.909 4.031 1.325 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.612 2.376 -0.029 1.00 0.00 C ATOM 0 H LEU A 81 9.519 5.831 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 81 8.523 3.345 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.056 5.757 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.359 4.611 1.250 1.00 0.00 H new ATOM 0 HG LEU A 81 11.550 4.141 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.791 3.399 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.216 5.075 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.371 3.757 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.512 1.766 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.042 2.061 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.003 2.251 -0.924 1.00 0.00 H new ATOM 1304 N LEU A 82 6.329 4.114 -0.053 1.00 0.00 N ATOM 1305 CA LEU A 82 5.021 4.524 0.446 1.00 0.00 C ATOM 1306 C LEU A 82 4.762 3.947 1.834 1.00 0.00 C ATOM 1307 O LEU A 82 5.114 2.802 2.115 1.00 0.00 O ATOM 1308 CB LEU A 82 3.922 4.076 -0.519 1.00 0.00 C ATOM 1309 CG LEU A 82 2.587 4.812 -0.404 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.569 6.030 -1.314 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.432 3.879 -0.737 1.00 0.00 C ATOM 0 H LEU A 82 6.411 3.116 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 82 5.011 5.612 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.291 4.192 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.742 3.012 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 82 2.469 5.151 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.611 6.541 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.373 6.709 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.710 5.714 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.490 4.421 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.545 3.509 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.432 3.038 -0.044 1.00 0.00 H new ATOM 1323 N GLN A 83 4.144 4.748 2.696 1.00 0.00 N ATOM 1324 CA GLN A 83 3.837 4.315 4.054 1.00 0.00 C ATOM 1325 C GLN A 83 2.453 4.795 4.479 1.00 0.00 C ATOM 1326 O GLN A 83 1.906 5.733 3.898 1.00 0.00 O ATOM 1327 CB GLN A 83 4.893 4.838 5.030 1.00 0.00 C ATOM 1328 CG GLN A 83 5.110 3.934 6.233 1.00 0.00 C ATOM 1329 CD GLN A 83 6.262 4.393 7.106 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.229 5.486 7.672 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.287 3.558 7.221 1.00 0.00 N ATOM 0 H GLN A 83 3.846 5.699 2.478 1.00 0.00 H new ATOM 0 HA GLN A 83 3.845 3.225 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.838 4.957 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.596 5.827 5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.198 3.902 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.302 2.918 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.272 2.662 6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.090 3.812 7.796 1.00 0.00 H new ATOM 1340 N ILE A 84 1.892 4.146 5.493 1.00 0.00 N ATOM 1341 CA ILE A 84 0.573 4.507 5.995 1.00 0.00 C ATOM 1342 C ILE A 84 0.522 4.427 7.517 1.00 0.00 C ATOM 1343 O ILE A 84 0.650 3.349 8.098 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.522 3.597 5.408 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.280 3.369 3.915 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.897 4.204 5.641 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.704 4.535 3.049 1.00 0.00 C ATOM 0 H ILE A 84 2.331 3.367 5.983 1.00 0.00 H new ATOM 0 HA ILE A 84 0.387 5.534 5.681 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.482 2.633 5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.780 3.173 3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.821 2.477 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.660 3.549 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.067 4.319 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.950 5.180 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.503 4.303 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.770 4.718 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.144 5.425 3.337 1.00 0.00 H new ATOM 1359 N VAL A 85 0.334 5.576 8.159 1.00 0.00 N ATOM 1360 CA VAL A 85 0.263 5.636 9.614 1.00 0.00 C ATOM 1361 C VAL A 85 -1.145 5.324 10.109 1.00 0.00 C ATOM 1362 O VAL A 85 -2.122 5.910 9.643 1.00 0.00 O ATOM 1363 CB VAL A 85 0.685 7.021 10.140 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.644 7.051 11.660 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.070 7.385 9.628 1.00 0.00 C ATOM 0 H VAL A 85 0.228 6.478 7.694 1.00 0.00 H new ATOM 0 HA VAL A 85 0.954 4.884 9.996 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.022 7.763 9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.945 8.037 12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.369 6.838 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.326 6.300 12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.352 8.366 10.009 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.791 6.642 9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.061 7.408 8.538 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.240 4.397 11.056 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.529 4.006 11.616 1.00 0.00 C ATOM 1377 C CYS A 86 -2.858 4.833 12.855 1.00 0.00 C ATOM 1378 O CYS A 86 -2.092 5.714 13.246 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.526 2.518 11.967 1.00 0.00 C ATOM 1380 SG CYS A 86 -4.144 1.724 11.834 1.00 0.00 S ATOM 0 H CYS A 86 -0.441 3.903 11.452 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.295 4.193 10.864 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.825 2.002 11.310 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.157 2.397 12.985 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.014 2.583 11.394 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.001 4.543 13.467 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.433 5.262 14.660 1.00 0.00 C ATOM 1388 C ARG A 87 -3.594 4.860 15.869 1.00 0.00 C ATOM 1389 O ARG A 87 -2.876 5.682 16.440 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.912 4.989 14.938 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.856 5.831 14.096 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.282 5.308 14.165 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.870 5.495 15.488 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.179 5.487 15.718 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -11.030 5.301 14.719 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.638 5.664 16.951 1.00 0.00 N ATOM 0 H ARG A 87 -4.645 3.815 13.157 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.295 6.328 14.482 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.119 3.934 14.755 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.115 5.176 15.993 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.829 6.864 14.441 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.518 5.832 13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.892 5.820 13.421 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.292 4.248 13.910 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.242 5.640 16.279 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.681 5.163 13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.034 5.295 14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.986 5.806 17.722 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.643 5.658 17.127 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.690 3.593 16.255 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.940 3.082 17.397 1.00 0.00 C ATOM 1412 C ASP A 88 -1.449 3.363 17.237 1.00 0.00 C ATOM 1413 O ASP A 88 -0.859 4.100 18.025 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.174 1.579 17.556 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.312 0.971 18.645 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -1.071 1.070 18.544 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -2.878 0.397 19.598 1.00 0.00 O ATOM 0 H ASP A 88 -4.280 2.900 15.794 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.294 3.594 18.292 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.224 1.400 17.786 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.965 1.080 16.610 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.846 2.769 16.212 1.00 0.00 N ATOM 1423 CA GLY A 89 0.570 2.967 15.968 1.00 0.00 C ATOM 1424 C GLY A 89 1.158 1.901 15.066 1.00 0.00 C ATOM 1425 O GLY A 89 2.317 1.514 15.221 1.00 0.00 O ATOM 0 H GLY A 89 -1.313 2.154 15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.724 3.947 15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.103 2.968 16.919 1.00 0.00 H new ATOM 1429 N LYS A 90 0.358 1.422 14.119 1.00 0.00 N ATOM 1430 CA LYS A 90 0.804 0.393 13.188 1.00 0.00 C ATOM 1431 C LYS A 90 1.181 1.004 11.842 1.00 0.00 C ATOM 1432 O LYS A 90 0.313 1.395 11.061 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.291 -0.658 12.994 1.00 0.00 C ATOM 1434 CG LYS A 90 0.081 -1.749 12.004 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.092 -2.674 11.726 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.940 -2.167 10.569 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.612 -3.280 9.844 1.00 0.00 N ATOM 0 H LYS A 90 -0.604 1.731 13.976 1.00 0.00 H new ATOM 0 HA LYS A 90 1.687 -0.086 13.610 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.519 -1.115 13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.201 -0.164 12.653 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.417 -1.296 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.917 -2.328 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.722 -3.673 11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.709 -2.760 12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.692 -1.473 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.311 -1.609 9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.318 -3.272 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.344 -4.187 10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.643 -3.160 9.902 1.00 0.00 H new ATOM 1451 N THR A 91 2.481 1.082 11.576 1.00 0.00 N ATOM 1452 CA THR A 91 2.973 1.645 10.325 1.00 0.00 C ATOM 1453 C THR A 91 3.231 0.552 9.294 1.00 0.00 C ATOM 1454 O THR A 91 3.873 -0.456 9.592 1.00 0.00 O ATOM 1455 CB THR A 91 4.269 2.448 10.541 1.00 0.00 C ATOM 1456 OG1 THR A 91 4.107 3.355 11.637 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.642 3.222 9.286 1.00 0.00 C ATOM 0 H THR A 91 3.213 0.762 12.211 1.00 0.00 H new ATOM 0 HA THR A 91 2.198 2.315 9.954 1.00 0.00 H new ATOM 0 HB THR A 91 5.071 1.746 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.936 3.860 11.769 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.561 3.781 9.463 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.794 2.526 8.461 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.839 3.914 9.033 1.00 0.00 H new ATOM 1465 N ILE A 92 2.729 0.757 8.081 1.00 0.00 N ATOM 1466 CA ILE A 92 2.907 -0.211 7.007 1.00 0.00 C ATOM 1467 C ILE A 92 3.904 0.296 5.970 1.00 0.00 C ATOM 1468 O ILE A 92 3.726 1.371 5.397 1.00 0.00 O ATOM 1469 CB ILE A 92 1.573 -0.528 6.307 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.590 -1.158 7.296 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.803 -1.451 5.120 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.808 -1.315 6.741 1.00 0.00 C ATOM 0 H ILE A 92 2.195 1.586 7.818 1.00 0.00 H new ATOM 0 HA ILE A 92 3.293 -1.122 7.465 1.00 0.00 H new ATOM 0 HB ILE A 92 1.143 0.404 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.965 -2.137 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.548 -0.544 8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.850 -1.666 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.471 -0.968 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.253 -2.382 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.451 -1.768 7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.203 -0.337 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.779 -1.954 5.858 1.00 0.00 H new ATOM 1484 N SER A 93 4.953 -0.485 5.734 1.00 0.00 N ATOM 1485 CA SER A 93 5.980 -0.115 4.767 1.00 0.00 C ATOM 1486 C SER A 93 5.666 -0.695 3.391 1.00 0.00 C ATOM 1487 O SER A 93 5.564 -1.911 3.226 1.00 0.00 O ATOM 1488 CB SER A 93 7.352 -0.601 5.237 1.00 0.00 C ATOM 1489 OG SER A 93 7.506 -0.421 6.634 1.00 0.00 O ATOM 0 H SER A 93 5.114 -1.378 6.199 1.00 0.00 H new ATOM 0 HA SER A 93 5.995 0.972 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.473 -1.655 4.988 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.135 -0.057 4.709 1.00 0.00 H new ATOM 0 HG SER A 93 8.390 -0.741 6.910 1.00 0.00 H new ATOM 1495 N LEU A 94 5.514 0.184 2.407 1.00 0.00 N ATOM 1496 CA LEU A 94 5.211 -0.239 1.044 1.00 0.00 C ATOM 1497 C LEU A 94 6.155 0.424 0.045 1.00 0.00 C ATOM 1498 O LEU A 94 6.732 1.476 0.326 1.00 0.00 O ATOM 1499 CB LEU A 94 3.761 0.098 0.694 1.00 0.00 C ATOM 1500 CG LEU A 94 2.703 -0.370 1.694 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.347 0.228 1.356 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.627 -1.890 1.717 1.00 0.00 C ATOM 0 H LEU A 94 5.595 1.194 2.527 1.00 0.00 H new ATOM 0 HA LEU A 94 5.350 -1.319 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.676 1.179 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.532 -0.339 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 94 2.991 -0.025 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.607 -0.116 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.410 1.316 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.050 -0.086 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.869 -2.206 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.363 -2.256 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.595 -2.298 2.009 1.00 0.00 H new ATOM 1514 N CYS A 95 6.305 -0.195 -1.120 1.00 0.00 N ATOM 1515 CA CYS A 95 7.177 0.337 -2.162 1.00 0.00 C ATOM 1516 C CYS A 95 6.577 0.104 -3.544 1.00 0.00 C ATOM 1517 O CYS A 95 5.856 -0.868 -3.763 1.00 0.00 O ATOM 1518 CB CYS A 95 8.560 -0.310 -2.077 1.00 0.00 C ATOM 1519 SG CYS A 95 9.641 0.071 -3.475 1.00 0.00 S ATOM 0 H CYS A 95 5.835 -1.066 -1.367 1.00 0.00 H new ATOM 0 HA CYS A 95 7.276 1.411 -2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.046 0.016 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.440 -1.391 -2.009 1.00 0.00 H new ATOM 0 HG CYS A 95 8.987 -0.092 -4.586 1.00 0.00 H new ATOM 1525 N ALA A 96 6.879 1.005 -4.474 1.00 0.00 N ATOM 1526 CA ALA A 96 6.370 0.898 -5.836 1.00 0.00 C ATOM 1527 C ALA A 96 7.483 0.528 -6.810 1.00 0.00 C ATOM 1528 O ALA A 96 8.620 0.289 -6.405 1.00 0.00 O ATOM 1529 CB ALA A 96 5.709 2.202 -6.256 1.00 0.00 C ATOM 0 H ALA A 96 7.474 1.817 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 96 5.625 0.103 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.334 2.108 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.881 2.423 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.439 3.011 -6.211 1.00 0.00 H new ATOM 1535 N GLU A 97 7.147 0.483 -8.096 1.00 0.00 N ATOM 1536 CA GLU A 97 8.119 0.141 -9.127 1.00 0.00 C ATOM 1537 C GLU A 97 8.612 1.393 -9.847 1.00 0.00 C ATOM 1538 O GLU A 97 9.742 1.439 -10.332 1.00 0.00 O ATOM 1539 CB GLU A 97 7.505 -0.832 -10.135 1.00 0.00 C ATOM 1540 CG GLU A 97 8.536 -1.594 -10.951 1.00 0.00 C ATOM 1541 CD GLU A 97 8.000 -2.040 -12.298 1.00 0.00 C ATOM 1542 OE1 GLU A 97 7.788 -1.172 -13.170 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.794 -3.259 -12.479 1.00 0.00 O ATOM 0 H GLU A 97 6.210 0.679 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 97 8.970 -0.338 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.876 -1.545 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.855 -0.278 -10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.412 -0.963 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.866 -2.467 -10.388 1.00 0.00 H new ATOM 1550 N SER A 98 7.754 2.406 -9.914 1.00 0.00 N ATOM 1551 CA SER A 98 8.099 3.658 -10.579 1.00 0.00 C ATOM 1552 C SER A 98 7.485 4.848 -9.848 1.00 0.00 C ATOM 1553 O SER A 98 6.318 4.816 -9.454 1.00 0.00 O ATOM 1554 CB SER A 98 7.622 3.636 -12.032 1.00 0.00 C ATOM 1555 OG SER A 98 8.446 4.448 -12.851 1.00 0.00 O ATOM 0 H SER A 98 6.815 2.385 -9.516 1.00 0.00 H new ATOM 0 HA SER A 98 9.184 3.763 -10.562 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.629 2.612 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.592 3.987 -12.085 1.00 0.00 H new ATOM 0 HG SER A 98 7.904 5.153 -13.264 1.00 0.00 H new ATOM 1561 N THR A 99 8.279 5.899 -9.670 1.00 0.00 N ATOM 1562 CA THR A 99 7.816 7.100 -8.987 1.00 0.00 C ATOM 1563 C THR A 99 6.389 7.449 -9.394 1.00 0.00 C ATOM 1564 O THR A 99 5.578 7.858 -8.563 1.00 0.00 O ATOM 1565 CB THR A 99 8.731 8.303 -9.282 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.070 8.015 -8.864 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.230 9.552 -8.573 1.00 0.00 C ATOM 0 H THR A 99 9.247 5.942 -9.990 1.00 0.00 H new ATOM 0 HA THR A 99 7.844 6.886 -7.919 1.00 0.00 H new ATOM 0 HB THR A 99 8.718 8.485 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.646 8.784 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.893 10.388 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.222 9.786 -8.916 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.215 9.378 -7.497 1.00 0.00 H new ATOM 1575 N ASP A 100 6.089 7.285 -10.678 1.00 0.00 N ATOM 1576 CA ASP A 100 4.758 7.582 -11.195 1.00 0.00 C ATOM 1577 C ASP A 100 3.690 6.818 -10.418 1.00 0.00 C ATOM 1578 O ASP A 100 2.648 7.372 -10.068 1.00 0.00 O ATOM 1579 CB ASP A 100 4.675 7.228 -12.681 1.00 0.00 C ATOM 1580 CG ASP A 100 5.196 5.835 -12.975 1.00 0.00 C ATOM 1581 OD1 ASP A 100 4.451 4.861 -12.740 1.00 0.00 O ATOM 1582 OD2 ASP A 100 6.349 5.720 -13.440 1.00 0.00 O ATOM 0 H ASP A 100 6.749 6.948 -11.379 1.00 0.00 H new ATOM 0 HA ASP A 100 4.577 8.650 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.639 7.302 -13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.247 7.956 -13.257 1.00 0.00 H new ATOM 1587 N ASP A 101 3.957 5.544 -10.152 1.00 0.00 N ATOM 1588 CA ASP A 101 3.019 4.705 -9.416 1.00 0.00 C ATOM 1589 C ASP A 101 2.831 5.219 -7.992 1.00 0.00 C ATOM 1590 O ASP A 101 1.712 5.515 -7.571 1.00 0.00 O ATOM 1591 CB ASP A 101 3.511 3.257 -9.388 1.00 0.00 C ATOM 1592 CG ASP A 101 2.371 2.259 -9.331 1.00 0.00 C ATOM 1593 OD1 ASP A 101 1.235 2.634 -9.690 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.616 1.102 -8.929 1.00 0.00 O ATOM 0 H ASP A 101 4.815 5.070 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 101 2.057 4.744 -9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.115 3.064 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.159 3.113 -8.524 1.00 0.00 H new ATOM 1599 N CYS A 102 3.932 5.321 -7.256 1.00 0.00 N ATOM 1600 CA CYS A 102 3.888 5.797 -5.878 1.00 0.00 C ATOM 1601 C CYS A 102 3.044 7.062 -5.766 1.00 0.00 C ATOM 1602 O CYS A 102 2.175 7.167 -4.898 1.00 0.00 O ATOM 1603 CB CYS A 102 5.303 6.068 -5.365 1.00 0.00 C ATOM 1604 SG CYS A 102 5.384 6.487 -3.608 1.00 0.00 S ATOM 0 H CYS A 102 4.865 5.081 -7.590 1.00 0.00 H new ATOM 0 HA CYS A 102 3.429 5.020 -5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.918 5.187 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.737 6.884 -5.942 1.00 0.00 H new ATOM 0 HG CYS A 102 6.512 7.082 -3.355 1.00 0.00 H new ATOM 1610 N LEU A 103 3.304 8.021 -6.648 1.00 0.00 N ATOM 1611 CA LEU A 103 2.569 9.281 -6.648 1.00 0.00 C ATOM 1612 C LEU A 103 1.078 9.041 -6.868 1.00 0.00 C ATOM 1613 O LEU A 103 0.238 9.679 -6.235 1.00 0.00 O ATOM 1614 CB LEU A 103 3.113 10.211 -7.734 1.00 0.00 C ATOM 1615 CG LEU A 103 4.350 11.028 -7.359 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.945 11.691 -8.592 1.00 0.00 C ATOM 1617 CD2 LEU A 103 4.002 12.071 -6.306 1.00 0.00 C ATOM 0 H LEU A 103 4.019 7.950 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 103 2.703 9.752 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.351 9.611 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.321 10.901 -8.024 1.00 0.00 H new ATOM 0 HG LEU A 103 5.095 10.352 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.824 12.268 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.232 10.926 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.206 12.354 -9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.894 12.643 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.240 12.744 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.623 11.574 -5.413 1.00 0.00 H new ATOM 1629 N ALA A 104 0.759 8.116 -7.767 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.630 7.789 -8.066 1.00 0.00 C ATOM 1631 C ALA A 104 -1.333 7.210 -6.844 1.00 0.00 C ATOM 1632 O ALA A 104 -2.446 7.614 -6.507 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.703 6.814 -9.231 1.00 0.00 C ATOM 0 H ALA A 104 1.443 7.580 -8.301 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.143 8.710 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.746 6.578 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.246 7.265 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.170 5.899 -8.974 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.678 6.262 -6.184 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.242 5.627 -4.998 1.00 0.00 C ATOM 1641 C TRP A 105 -1.517 6.656 -3.908 1.00 0.00 C ATOM 1642 O TRP A 105 -2.602 6.685 -3.327 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.293 4.549 -4.472 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.534 3.198 -5.076 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.353 2.453 -5.799 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.743 2.434 -5.010 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.231 1.272 -6.187 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.517 1.235 -5.715 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -2.994 2.644 -4.423 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.496 0.254 -5.848 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.964 1.670 -4.556 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.711 0.486 -5.263 1.00 0.00 C ATOM 0 H TRP A 105 0.244 5.916 -6.450 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.187 5.163 -5.279 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.735 4.851 -4.673 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.399 4.479 -3.389 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.365 2.749 -6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.220 0.541 -6.737 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.198 3.552 -3.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.303 -0.658 -6.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.934 1.823 -4.108 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.490 -0.257 -5.347 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.528 7.500 -3.634 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.664 8.533 -2.614 1.00 0.00 C ATOM 1665 C LYS A 106 -1.858 9.436 -2.909 1.00 0.00 C ATOM 1666 O LYS A 106 -2.764 9.571 -2.087 1.00 0.00 O ATOM 1667 CB LYS A 106 0.614 9.371 -2.534 1.00 0.00 C ATOM 1668 CG LYS A 106 0.452 10.654 -1.738 1.00 0.00 C ATOM 1669 CD LYS A 106 1.797 11.265 -1.385 1.00 0.00 C ATOM 1670 CE LYS A 106 1.697 12.774 -1.218 1.00 0.00 C ATOM 1671 NZ LYS A 106 2.768 13.306 -0.331 1.00 0.00 N ATOM 0 H LYS A 106 0.377 7.489 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.830 8.042 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.404 8.771 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.940 9.619 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.133 11.370 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.106 10.448 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.169 10.820 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.520 11.031 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.764 13.253 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.722 13.030 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.665 14.337 -0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.689 12.868 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.699 13.085 -0.739 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.853 10.050 -4.087 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.936 10.939 -4.490 1.00 0.00 C ATOM 1687 C PHE A 107 -4.290 10.254 -4.332 1.00 0.00 C ATOM 1688 O PHE A 107 -5.261 10.865 -3.883 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.745 11.385 -5.941 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.528 12.240 -6.150 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.213 13.251 -5.256 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.698 12.033 -7.240 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.094 14.040 -5.446 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.423 12.818 -7.435 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.726 13.822 -6.536 1.00 0.00 C ATOM 0 H PHE A 107 -1.111 9.948 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.913 11.815 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.673 10.503 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.628 11.938 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.849 13.424 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.930 11.249 -7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.139 14.826 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.061 12.647 -8.289 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.602 14.435 -6.685 1.00 0.00 H new ATOM 1705 N THR A 108 -4.349 8.979 -4.704 1.00 0.00 N ATOM 1706 CA THR A 108 -5.583 8.209 -4.606 1.00 0.00 C ATOM 1707 C THR A 108 -5.995 8.016 -3.151 1.00 0.00 C ATOM 1708 O THR A 108 -7.157 8.213 -2.793 1.00 0.00 O ATOM 1709 CB THR A 108 -5.439 6.829 -5.274 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.023 6.985 -6.636 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.753 6.064 -5.225 1.00 0.00 C ATOM 0 H THR A 108 -3.556 8.457 -5.076 1.00 0.00 H new ATOM 0 HA THR A 108 -6.353 8.778 -5.127 1.00 0.00 H new ATOM 0 HB THR A 108 -4.686 6.262 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.095 7.299 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.626 5.093 -5.703 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.053 5.921 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.523 6.629 -5.750 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.037 7.630 -2.315 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.301 7.411 -0.898 1.00 0.00 C ATOM 1721 C LEU A 109 -5.768 8.698 -0.225 1.00 0.00 C ATOM 1722 O LEU A 109 -6.612 8.670 0.670 1.00 0.00 O ATOM 1723 CB LEU A 109 -4.046 6.884 -0.201 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.515 5.540 -0.700 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -2.008 5.458 -0.513 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.206 4.392 0.022 1.00 0.00 C ATOM 0 H LEU A 109 -4.070 7.462 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.095 6.670 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.256 7.627 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.257 6.796 0.865 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.734 5.458 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.648 4.494 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.527 6.258 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.766 5.562 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.816 3.443 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.019 4.471 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.279 4.439 -0.163 1.00 0.00 H new ATOM 1738 N GLN A 110 -5.214 9.824 -0.665 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.575 11.121 -0.106 1.00 0.00 C ATOM 1740 C GLN A 110 -6.974 11.535 -0.550 1.00 0.00 C ATOM 1741 O GLN A 110 -7.712 12.172 0.202 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.558 12.183 -0.527 1.00 0.00 C ATOM 1743 CG GLN A 110 -3.155 11.924 -0.001 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.943 12.482 1.393 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.709 12.192 2.313 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.900 13.287 1.557 1.00 0.00 N ATOM 0 H GLN A 110 -4.514 9.864 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.570 11.034 0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.526 12.232 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.895 13.157 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.967 10.850 0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.428 12.369 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.291 13.500 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.707 13.692 2.473 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.332 11.170 -1.777 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.643 11.503 -2.322 1.00 0.00 C ATOM 1757 C ASP A 111 -9.731 10.651 -1.677 1.00 0.00 C ATOM 1758 O ASP A 111 -10.879 11.080 -1.555 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.653 11.305 -3.838 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.768 12.077 -4.515 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.892 13.293 -4.255 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.517 11.467 -5.306 1.00 0.00 O ATOM 0 H ASP A 111 -6.733 10.644 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.848 12.550 -2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.694 11.621 -4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.762 10.244 -4.062 1.00 0.00 H new ATOM 1767 N SER A 112 -9.364 9.441 -1.268 1.00 0.00 N ATOM 1768 CA SER A 112 -10.311 8.526 -0.640 1.00 0.00 C ATOM 1769 C SER A 112 -10.617 8.959 0.790 1.00 0.00 C ATOM 1770 O SER A 112 -11.643 8.583 1.358 1.00 0.00 O ATOM 1771 CB SER A 112 -9.755 7.100 -0.646 1.00 0.00 C ATOM 1772 OG SER A 112 -8.849 6.902 0.425 1.00 0.00 O ATOM 0 H SER A 112 -8.418 9.071 -1.360 1.00 0.00 H new ATOM 0 HA SER A 112 -11.237 8.549 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.575 6.386 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.251 6.907 -1.593 1.00 0.00 H new ATOM 0 HG SER A 112 -8.138 7.576 0.381 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.720 9.751 1.368 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.892 10.234 2.732 1.00 0.00 C ATOM 1780 C ARG A 113 -11.247 10.916 2.900 1.00 0.00 C ATOM 1781 O ARG A 113 -11.993 10.619 3.833 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.770 11.208 3.097 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.412 10.542 3.250 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.317 11.565 3.510 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.367 12.086 4.873 1.00 0.00 N ATOM 1786 CZ ARG A 113 -7.144 13.097 5.245 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -7.932 13.692 4.360 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -7.134 13.515 6.504 1.00 0.00 N ATOM 0 H ARG A 113 -8.866 10.072 0.912 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.850 9.376 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.703 11.977 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.026 11.711 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.446 9.827 4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.178 9.978 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.344 11.107 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.415 12.389 2.803 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.773 11.650 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.942 13.374 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.528 14.468 4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.529 13.060 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.731 14.292 6.788 1.00 0.00 H new ATOM 1802 N THR A 114 -11.559 11.833 1.989 1.00 0.00 N ATOM 1803 CA THR A 114 -12.822 12.559 2.037 1.00 0.00 C ATOM 1804 C THR A 114 -13.856 11.924 1.115 1.00 0.00 C ATOM 1805 O THR A 114 -15.031 11.817 1.465 1.00 0.00 O ATOM 1806 CB THR A 114 -12.636 14.036 1.641 1.00 0.00 C ATOM 1807 OG1 THR A 114 -13.869 14.746 1.806 1.00 0.00 O ATOM 1808 CG2 THR A 114 -12.165 14.155 0.199 1.00 0.00 C ATOM 0 H THR A 114 -10.954 12.090 1.209 1.00 0.00 H new ATOM 0 HA THR A 114 -13.177 12.508 3.066 1.00 0.00 H new ATOM 0 HB THR A 114 -11.877 14.471 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 114 -13.742 15.684 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.041 15.207 -0.058 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.212 13.638 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.904 13.705 -0.464 1.00 0.00 H new ATOM 1816 N SER A 115 -13.411 11.502 -0.064 1.00 0.00 N ATOM 1817 CA SER A 115 -14.300 10.880 -1.039 1.00 0.00 C ATOM 1818 C SER A 115 -14.754 9.504 -0.558 1.00 0.00 C ATOM 1819 O SER A 115 -14.124 8.491 -0.858 1.00 0.00 O ATOM 1820 CB SER A 115 -13.599 10.754 -2.393 1.00 0.00 C ATOM 1821 OG SER A 115 -14.537 10.767 -3.455 1.00 0.00 O ATOM 0 H SER A 115 -12.440 11.579 -0.368 1.00 0.00 H new ATOM 0 HA SER A 115 -15.178 11.515 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.892 11.574 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.023 9.829 -2.423 1.00 0.00 H new ATOM 0 HG SER A 115 -14.064 10.687 -4.310 1.00 0.00 H new ATOM 1827 N GLY A 116 -15.853 9.478 0.189 1.00 0.00 N ATOM 1828 CA GLY A 116 -16.373 8.224 0.700 1.00 0.00 C ATOM 1829 C GLY A 116 -17.641 8.409 1.510 1.00 0.00 C ATOM 1830 O GLY A 116 -17.847 9.437 2.154 1.00 0.00 O ATOM 0 H GLY A 116 -16.393 10.303 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -16.573 7.551 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -15.615 7.746 1.321 1.00 0.00 H new ATOM 1834 N PRO A 117 -18.519 7.395 1.482 1.00 0.00 N ATOM 1835 CA PRO A 117 -19.789 7.427 2.214 1.00 0.00 C ATOM 1836 C PRO A 117 -19.591 7.344 3.723 1.00 0.00 C ATOM 1837 O PRO A 117 -20.540 7.494 4.493 1.00 0.00 O ATOM 1838 CB PRO A 117 -20.525 6.186 1.702 1.00 0.00 C ATOM 1839 CG PRO A 117 -19.445 5.262 1.256 1.00 0.00 C ATOM 1840 CD PRO A 117 -18.339 6.138 0.736 1.00 0.00 C ATOM 0 HA PRO A 117 -20.330 8.359 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -21.133 5.735 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -21.197 6.435 0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -19.096 4.642 2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -19.805 4.586 0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.359 5.699 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -18.422 6.294 -0.340 1.00 0.00 H new ATOM 1848 N SER A 118 -18.352 7.104 4.141 1.00 0.00 N ATOM 1849 CA SER A 118 -18.030 6.997 5.559 1.00 0.00 C ATOM 1850 C SER A 118 -18.804 8.031 6.371 1.00 0.00 C ATOM 1851 O SER A 118 -19.473 7.695 7.349 1.00 0.00 O ATOM 1852 CB SER A 118 -16.527 7.181 5.778 1.00 0.00 C ATOM 1853 OG SER A 118 -15.814 6.007 5.431 1.00 0.00 O ATOM 0 H SER A 118 -17.555 6.980 3.517 1.00 0.00 H new ATOM 0 HA SER A 118 -18.320 6.003 5.898 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.169 8.018 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.336 7.431 6.822 1.00 0.00 H new ATOM 0 HG SER A 118 -14.856 6.151 5.578 1.00 0.00 H new ATOM 1859 N SER A 119 -18.708 9.291 5.958 1.00 0.00 N ATOM 1860 CA SER A 119 -19.396 10.376 6.648 1.00 0.00 C ATOM 1861 C SER A 119 -20.796 10.580 6.079 1.00 0.00 C ATOM 1862 O SER A 119 -20.978 10.674 4.866 1.00 0.00 O ATOM 1863 CB SER A 119 -18.592 11.672 6.533 1.00 0.00 C ATOM 1864 OG SER A 119 -18.684 12.215 5.227 1.00 0.00 O ATOM 0 H SER A 119 -18.161 9.585 5.149 1.00 0.00 H new ATOM 0 HA SER A 119 -19.487 10.105 7.700 1.00 0.00 H new ATOM 0 HB2 SER A 119 -18.960 12.397 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 119 -17.547 11.479 6.777 1.00 0.00 H new ATOM 0 HG SER A 119 -19.420 11.783 4.744 1.00 0.00 H new ATOM 1870 N GLY A 120 -21.785 10.649 6.966 1.00 0.00 N ATOM 1871 CA GLY A 120 -23.157 10.842 6.534 1.00 0.00 C ATOM 1872 C GLY A 120 -24.118 10.977 7.699 1.00 0.00 C ATOM 1873 O GLY A 120 -23.697 11.170 8.840 1.00 0.00 O ATOM 0 H GLY A 120 -21.660 10.575 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -23.217 11.735 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -23.461 10.000 5.912 1.00 0.00 H new TER 1877 GLY A 120