USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 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 26 TYR OH : rot 30:sc= 1.06 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 17 HIS : +bothHN:sc= 0.875 K(o=0.65,f=-4.6!) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= -0.229 USER MOD Set 3.1: A 15 TYR OH : rot 29:sc= 0.0566 USER MOD Set 3.2: A 28 THR OG1 : rot 83:sc= 1.28 USER MOD Set 4.1: A 3 ASN : amide:sc= 0.218 K(o=0.22,f=-4!) USER MOD Set 4.2: A 4 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0.22) USER MOD Single : A 1 SER N :NH3+ -165:sc= 1.28 (180deg=0.904) USER MOD Single : A 1 SER OG : rot 50:sc= 0.0712 USER MOD Single : A 2 SER OG : rot 35:sc= 0.329 USER MOD Single : A 5 ASN :FLIP amide:sc=-0.00536 F(o=-1.1,f=-0.0054) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 92:sc= 0.827 USER MOD Single : A 11 TYR OH : rot 48:sc= 0.78 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.437 (180deg=0.244) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.968) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 170:sc=-0.00248 (180deg=-0.108) USER MOD Single : A 33 MET CE :methyl 142:sc= -2.38 (180deg=-2.62) USER MOD Single : A 48 GLN : amide:sc= 1.17 K(o=1.2,f=-0.68) USER MOD Single : A 53 MET CE :methyl 161:sc= -0.133 (180deg=-0.651) USER MOD Single : A 54 GLN : amide:sc= -0.0264 K(o=-0.026,f=-2.1) USER MOD Single : A 68 MET CE :methyl 137:sc= -3.77! (180deg=-6.56!) USER MOD Single : A 72 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1) USER MOD Single : A 78 CYS SG : rot 85:sc= 0.291 USER MOD Single : A 88 THR OG1 : rot -40:sc= 0.00247 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.114 K(o=0.11,f=-4.5!) USER MOD Single : A 103 MET CE :methyl -136:sc= -0.0745 (180deg=-2.12!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 117 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.478 -14.674 10.797 1.00 0.00 N ATOM 2 CA SER A 1 -0.186 -14.195 12.023 1.00 0.00 C ATOM 3 C SER A 1 0.321 -12.805 12.408 1.00 0.00 C ATOM 4 O SER A 1 1.413 -12.656 12.960 1.00 0.00 O ATOM 5 CB SER A 1 0.063 -15.197 13.150 1.00 0.00 C ATOM 6 OG SER A 1 1.397 -15.679 13.109 1.00 0.00 O ATOM 0 H1 SER A 1 -0.047 -15.485 10.412 1.00 0.00 H new ATOM 0 H2 SER A 1 0.499 -13.909 10.092 1.00 0.00 H new ATOM 0 H3 SER A 1 1.451 -14.966 11.020 1.00 0.00 H new ATOM 0 HA SER A 1 -1.258 -14.114 11.844 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.128 -14.723 14.113 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.633 -16.031 13.062 1.00 0.00 H new ATOM 0 HG SER A 1 2.016 -14.923 13.040 1.00 0.00 H new ATOM 14 N SER A 2 -0.465 -11.787 12.083 1.00 0.00 N ATOM 15 CA SER A 2 -0.129 -10.416 12.432 1.00 0.00 C ATOM 16 C SER A 2 -0.828 -10.014 13.727 1.00 0.00 C ATOM 17 O SER A 2 -2.059 -10.000 13.799 1.00 0.00 O ATOM 18 CB SER A 2 -0.535 -9.481 11.293 1.00 0.00 C ATOM 19 OG SER A 2 -1.894 -9.681 10.942 1.00 0.00 O ATOM 0 H SER A 2 -1.344 -11.888 11.575 1.00 0.00 H new ATOM 0 HA SER A 2 0.947 -10.340 12.586 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.380 -8.445 11.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.100 -9.659 10.425 1.00 0.00 H new ATOM 0 HG SER A 2 -2.410 -9.903 11.745 1.00 0.00 H new ATOM 25 N ASN A 3 -0.045 -9.701 14.748 1.00 0.00 N ATOM 26 CA ASN A 3 -0.596 -9.318 16.043 1.00 0.00 C ATOM 27 C ASN A 3 -0.443 -7.818 16.269 1.00 0.00 C ATOM 28 O ASN A 3 -0.975 -7.265 17.228 1.00 0.00 O ATOM 29 CB ASN A 3 0.079 -10.108 17.178 1.00 0.00 C ATOM 30 CG ASN A 3 1.558 -9.790 17.344 1.00 0.00 C ATOM 31 OD1 ASN A 3 2.242 -9.416 16.392 1.00 0.00 O ATOM 32 ND2 ASN A 3 2.061 -9.947 18.559 1.00 0.00 N ATOM 0 H ASN A 3 0.974 -9.704 14.707 1.00 0.00 H new ATOM 0 HA ASN A 3 -1.659 -9.559 16.045 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.437 -9.896 18.114 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.036 -11.175 16.985 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.048 -9.756 18.731 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.461 -10.259 19.323 1.00 0.00 H new ATOM 39 N ASN A 4 0.291 -7.164 15.375 1.00 0.00 N ATOM 40 CA ASN A 4 0.458 -5.714 15.432 1.00 0.00 C ATOM 41 C ASN A 4 -0.622 -5.028 14.606 1.00 0.00 C ATOM 42 O ASN A 4 -1.302 -5.668 13.803 1.00 0.00 O ATOM 43 CB ASN A 4 1.838 -5.296 14.909 1.00 0.00 C ATOM 44 CG ASN A 4 2.974 -5.549 15.888 1.00 0.00 C ATOM 45 OD1 ASN A 4 2.854 -6.578 16.711 1.00 0.00 O flip ATOM 46 ND2 ASN A 4 3.966 -4.821 15.891 1.00 0.00 N flip ATOM 0 H ASN A 4 0.780 -7.614 14.602 1.00 0.00 H new ATOM 0 HA ASN A 4 0.372 -5.409 16.475 1.00 0.00 H new ATOM 0 HB2 ASN A 4 2.043 -5.835 13.984 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.815 -4.235 14.662 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.025 -4.036 15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.730 -5.002 16.542 1.00 0.00 H new ATOM 53 N ASN A 5 -0.783 -3.725 14.802 1.00 0.00 N ATOM 54 CA ASN A 5 -1.749 -2.951 14.026 1.00 0.00 C ATOM 55 C ASN A 5 -1.022 -2.034 13.049 1.00 0.00 C ATOM 56 O ASN A 5 -1.634 -1.192 12.388 1.00 0.00 O ATOM 57 CB ASN A 5 -2.651 -2.118 14.944 1.00 0.00 C ATOM 58 CG ASN A 5 -3.508 -2.958 15.878 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.870 -4.158 15.448 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -3.844 -2.528 16.981 1.00 0.00 N flip ATOM 0 H ASN A 5 -0.260 -3.182 15.489 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.374 -3.650 13.470 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.031 -1.447 15.538 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.301 -1.493 14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.546 -1.599 17.278 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.420 -3.101 17.598 1.00 0.00 H new ATOM 67 N SER A 6 0.288 -2.207 12.966 1.00 0.00 N ATOM 68 CA SER A 6 1.119 -1.399 12.088 1.00 0.00 C ATOM 69 C SER A 6 0.973 -1.865 10.640 1.00 0.00 C ATOM 70 O SER A 6 0.663 -3.034 10.383 1.00 0.00 O ATOM 71 CB SER A 6 2.575 -1.495 12.541 1.00 0.00 C ATOM 72 OG SER A 6 2.676 -1.312 13.945 1.00 0.00 O ATOM 0 H SER A 6 0.802 -2.907 13.502 1.00 0.00 H new ATOM 0 HA SER A 6 0.797 -0.359 12.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.984 -2.467 12.266 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.172 -0.741 12.027 1.00 0.00 H new ATOM 0 HG SER A 6 3.615 -1.379 14.217 1.00 0.00 H new ATOM 78 N PHE A 7 1.197 -0.951 9.702 1.00 0.00 N ATOM 79 CA PHE A 7 1.007 -1.237 8.287 1.00 0.00 C ATOM 80 C PHE A 7 1.911 -2.379 7.829 1.00 0.00 C ATOM 81 O PHE A 7 1.451 -3.304 7.165 1.00 0.00 O ATOM 82 CB PHE A 7 1.269 0.018 7.446 1.00 0.00 C ATOM 83 CG PHE A 7 0.855 -0.120 6.005 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.430 0.216 5.608 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.747 -0.585 5.052 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.816 0.092 4.286 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.366 -0.713 3.730 1.00 0.00 C ATOM 88 CZ PHE A 7 0.082 -0.373 3.347 1.00 0.00 C ATOM 0 H PHE A 7 1.512 -0.001 9.899 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.028 -1.546 8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.735 0.859 7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.332 0.257 7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.137 0.579 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.752 -0.850 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.819 0.359 3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.070 -1.078 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.218 -0.471 2.314 1.00 0.00 H new ATOM 98 N SER A 8 3.187 -2.320 8.204 1.00 0.00 N ATOM 99 CA SER A 8 4.156 -3.337 7.796 1.00 0.00 C ATOM 100 C SER A 8 3.752 -4.728 8.285 1.00 0.00 C ATOM 101 O SER A 8 3.975 -5.719 7.596 1.00 0.00 O ATOM 102 CB SER A 8 5.551 -2.992 8.320 1.00 0.00 C ATOM 103 OG SER A 8 6.011 -1.762 7.787 1.00 0.00 O ATOM 0 H SER A 8 3.575 -1.580 8.789 1.00 0.00 H new ATOM 0 HA SER A 8 4.173 -3.350 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.529 -2.934 9.408 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.248 -3.788 8.057 1.00 0.00 H new ATOM 0 HG SER A 8 5.765 -1.031 8.392 1.00 0.00 H new ATOM 109 N ALA A 9 3.153 -4.794 9.467 1.00 0.00 N ATOM 110 CA ALA A 9 2.729 -6.065 10.041 1.00 0.00 C ATOM 111 C ALA A 9 1.648 -6.714 9.190 1.00 0.00 C ATOM 112 O ALA A 9 1.753 -7.882 8.820 1.00 0.00 O ATOM 113 CB ALA A 9 2.229 -5.865 11.463 1.00 0.00 C ATOM 0 H ALA A 9 2.949 -3.981 10.048 1.00 0.00 H new ATOM 0 HA ALA A 9 3.592 -6.730 10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.916 -6.824 11.877 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.029 -5.449 12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.382 -5.179 11.458 1.00 0.00 H new ATOM 119 N ILE A 10 0.618 -5.943 8.867 1.00 0.00 N ATOM 120 CA ILE A 10 -0.487 -6.452 8.070 1.00 0.00 C ATOM 121 C ILE A 10 -0.059 -6.625 6.614 1.00 0.00 C ATOM 122 O ILE A 10 -0.529 -7.525 5.921 1.00 0.00 O ATOM 123 CB ILE A 10 -1.720 -5.529 8.170 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.102 -5.349 9.643 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.890 -6.102 7.378 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.287 -4.437 9.864 1.00 0.00 C ATOM 0 H ILE A 10 0.526 -4.966 9.144 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.769 -7.427 8.468 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.473 -4.557 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.324 -6.326 10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.244 -4.950 10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.748 -5.435 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.607 -6.198 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.152 -7.083 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.494 -4.361 10.932 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.063 -3.447 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.160 -4.844 9.353 1.00 0.00 H new ATOM 138 N TYR A 11 0.856 -5.771 6.167 1.00 0.00 N ATOM 139 CA TYR A 11 1.462 -5.904 4.844 1.00 0.00 C ATOM 140 C TYR A 11 2.228 -7.221 4.748 1.00 0.00 C ATOM 141 O TYR A 11 2.192 -7.900 3.724 1.00 0.00 O ATOM 142 CB TYR A 11 2.383 -4.700 4.560 1.00 0.00 C ATOM 143 CG TYR A 11 3.674 -5.033 3.838 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.708 -5.223 2.461 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.865 -5.150 4.544 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.893 -5.522 1.814 1.00 0.00 C ATOM 147 CE2 TYR A 11 6.049 -5.449 3.905 1.00 0.00 C ATOM 148 CZ TYR A 11 6.059 -5.634 2.541 1.00 0.00 C ATOM 149 OH TYR A 11 7.240 -5.933 1.906 1.00 0.00 O ATOM 0 H TYR A 11 1.197 -4.974 6.705 1.00 0.00 H new ATOM 0 HA TYR A 11 0.677 -5.914 4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.830 -3.972 3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.628 -4.219 5.507 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.796 -5.136 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.863 -5.004 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.905 -5.667 0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.964 -5.538 4.472 1.00 0.00 H new ATOM 0 HH TYR A 11 7.345 -5.354 1.122 1.00 0.00 H new ATOM 159 N LYS A 12 2.904 -7.578 5.831 1.00 0.00 N ATOM 160 CA LYS A 12 3.660 -8.818 5.895 1.00 0.00 C ATOM 161 C LYS A 12 2.708 -10.012 5.917 1.00 0.00 C ATOM 162 O LYS A 12 2.941 -11.015 5.246 1.00 0.00 O ATOM 163 CB LYS A 12 4.549 -8.812 7.140 1.00 0.00 C ATOM 164 CG LYS A 12 5.535 -9.964 7.215 1.00 0.00 C ATOM 165 CD LYS A 12 6.403 -9.848 8.456 1.00 0.00 C ATOM 166 CE LYS A 12 7.422 -10.970 8.547 1.00 0.00 C ATOM 167 NZ LYS A 12 8.251 -10.854 9.777 1.00 0.00 N ATOM 0 H LYS A 12 2.943 -7.020 6.684 1.00 0.00 H new ATOM 0 HA LYS A 12 4.293 -8.903 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.103 -7.874 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.913 -8.836 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.995 -10.911 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.164 -9.970 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.920 -8.889 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.770 -9.861 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.908 -11.931 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.067 -10.949 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.937 -11.635 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.760 -9.947 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.637 -10.898 10.615 1.00 0.00 H new ATOM 181 N GLU A 13 1.633 -9.884 6.688 1.00 0.00 N ATOM 182 CA GLU A 13 0.583 -10.898 6.736 1.00 0.00 C ATOM 183 C GLU A 13 -0.019 -11.094 5.343 1.00 0.00 C ATOM 184 O GLU A 13 -0.208 -12.223 4.876 1.00 0.00 O ATOM 185 CB GLU A 13 -0.506 -10.457 7.720 1.00 0.00 C ATOM 186 CG GLU A 13 -1.628 -11.465 7.911 1.00 0.00 C ATOM 187 CD GLU A 13 -1.191 -12.705 8.660 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.039 -12.753 9.132 1.00 0.00 O ATOM 189 OE2 GLU A 13 -2.007 -13.643 8.791 1.00 0.00 O ATOM 0 H GLU A 13 1.465 -9.081 7.294 1.00 0.00 H new ATOM 0 HA GLU A 13 1.010 -11.844 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.045 -10.258 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.934 -9.517 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.446 -10.990 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.017 -11.756 6.935 1.00 0.00 H new ATOM 196 N TRP A 14 -0.308 -9.974 4.695 1.00 0.00 N ATOM 197 CA TRP A 14 -0.834 -9.958 3.339 1.00 0.00 C ATOM 198 C TRP A 14 0.148 -10.621 2.376 1.00 0.00 C ATOM 199 O TRP A 14 -0.212 -11.564 1.673 1.00 0.00 O ATOM 200 CB TRP A 14 -1.118 -8.506 2.937 1.00 0.00 C ATOM 201 CG TRP A 14 -1.442 -8.299 1.492 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.569 -8.693 0.829 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.629 -7.612 0.534 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.502 -8.298 -0.485 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.319 -7.634 -0.690 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.619 -6.984 0.595 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -0.805 -7.048 -1.843 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.128 -6.403 -0.549 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.417 -6.440 -1.755 1.00 0.00 C ATOM 0 H TRP A 14 -0.183 -9.046 5.099 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.763 -10.527 3.294 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.950 -8.136 3.536 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.248 -7.899 3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.391 -9.235 1.272 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.216 -8.470 -1.193 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.175 -6.954 1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.352 -7.072 -2.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.089 -5.912 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.843 -5.979 -2.634 1.00 0.00 H new ATOM 220 N TYR A 15 1.390 -10.144 2.379 1.00 0.00 N ATOM 221 CA TYR A 15 2.440 -10.690 1.524 1.00 0.00 C ATOM 222 C TYR A 15 2.611 -12.191 1.745 1.00 0.00 C ATOM 223 O TYR A 15 2.673 -12.959 0.787 1.00 0.00 O ATOM 224 CB TYR A 15 3.767 -9.961 1.786 1.00 0.00 C ATOM 225 CG TYR A 15 4.992 -10.711 1.302 1.00 0.00 C ATOM 226 CD1 TYR A 15 5.235 -10.901 -0.054 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.905 -11.234 2.211 1.00 0.00 C ATOM 228 CE1 TYR A 15 6.350 -11.592 -0.487 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.024 -11.924 1.784 1.00 0.00 C ATOM 230 CZ TYR A 15 7.240 -12.101 0.433 1.00 0.00 C ATOM 231 OH TYR A 15 8.351 -12.790 -0.001 1.00 0.00 O ATOM 0 H TYR A 15 1.696 -9.372 2.971 1.00 0.00 H new ATOM 0 HA TYR A 15 2.145 -10.535 0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.736 -8.986 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.864 -9.780 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.541 -10.502 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.737 -11.099 3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.523 -11.733 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.725 -12.322 2.503 1.00 0.00 H new ATOM 0 HH TYR A 15 8.617 -12.459 -0.884 1.00 0.00 H new ATOM 241 N GLU A 16 2.672 -12.596 3.009 1.00 0.00 N ATOM 242 CA GLU A 16 2.896 -13.992 3.376 1.00 0.00 C ATOM 243 C GLU A 16 1.878 -14.901 2.689 1.00 0.00 C ATOM 244 O GLU A 16 2.235 -15.914 2.086 1.00 0.00 O ATOM 245 CB GLU A 16 2.797 -14.144 4.902 1.00 0.00 C ATOM 246 CG GLU A 16 3.520 -15.360 5.476 1.00 0.00 C ATOM 247 CD GLU A 16 2.969 -16.684 4.983 1.00 0.00 C ATOM 248 OE1 GLU A 16 1.844 -17.055 5.377 1.00 0.00 O ATOM 249 OE2 GLU A 16 3.665 -17.360 4.197 1.00 0.00 O ATOM 0 H GLU A 16 2.568 -11.969 3.807 1.00 0.00 H new ATOM 0 HA GLU A 16 3.892 -14.287 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.201 -13.246 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.744 -14.201 5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.577 -15.298 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.454 -15.331 6.564 1.00 0.00 H new ATOM 256 N HIS A 17 0.615 -14.520 2.763 1.00 0.00 N ATOM 257 CA HIS A 17 -0.456 -15.353 2.236 1.00 0.00 C ATOM 258 C HIS A 17 -0.628 -15.142 0.733 1.00 0.00 C ATOM 259 O HIS A 17 -0.849 -16.092 -0.015 1.00 0.00 O ATOM 260 CB HIS A 17 -1.771 -15.057 2.963 1.00 0.00 C ATOM 261 CG HIS A 17 -1.704 -15.224 4.454 1.00 0.00 C ATOM 262 ND1 HIS A 17 -0.775 -16.020 5.092 1.00 0.00 N ATOM 263 CD2 HIS A 17 -2.456 -14.674 5.436 1.00 0.00 C ATOM 264 CE1 HIS A 17 -0.963 -15.951 6.395 1.00 0.00 C ATOM 265 NE2 HIS A 17 -1.975 -15.140 6.634 1.00 0.00 N ATOM 0 H HIS A 17 0.305 -13.643 3.181 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.185 -16.395 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.076 -14.035 2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.546 -15.715 2.570 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.056 -16.575 4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.283 -13.993 5.301 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.384 -16.472 7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.340 -14.899 7.556 1.00 0.00 H new ATOM 274 N LYS A 18 -0.497 -13.898 0.292 1.00 0.00 N ATOM 275 CA LYS A 18 -0.740 -13.546 -1.104 1.00 0.00 C ATOM 276 C LYS A 18 0.372 -14.074 -2.011 1.00 0.00 C ATOM 277 O LYS A 18 0.171 -14.250 -3.216 1.00 0.00 O ATOM 278 CB LYS A 18 -0.857 -12.025 -1.250 1.00 0.00 C ATOM 279 CG LYS A 18 -1.466 -11.568 -2.567 1.00 0.00 C ATOM 280 CD LYS A 18 -2.940 -11.923 -2.655 1.00 0.00 C ATOM 281 CE LYS A 18 -3.580 -11.335 -3.902 1.00 0.00 C ATOM 282 NZ LYS A 18 -3.091 -11.980 -5.150 1.00 0.00 N ATOM 0 H LYS A 18 -0.223 -13.112 0.882 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.677 -14.011 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.462 -11.638 -0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.135 -11.585 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.344 -10.490 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.930 -12.030 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.055 -13.007 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.458 -11.554 -1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.662 -11.447 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.372 -10.266 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.769 -11.806 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.165 -11.582 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.997 -13.004 -4.997 1.00 0.00 H new ATOM 296 N LYS A 19 1.539 -14.340 -1.428 1.00 0.00 N ATOM 297 CA LYS A 19 2.686 -14.834 -2.189 1.00 0.00 C ATOM 298 C LYS A 19 2.435 -16.260 -2.680 1.00 0.00 C ATOM 299 O LYS A 19 3.176 -16.778 -3.513 1.00 0.00 O ATOM 300 CB LYS A 19 3.964 -14.786 -1.340 1.00 0.00 C ATOM 301 CG LYS A 19 4.135 -15.969 -0.397 1.00 0.00 C ATOM 302 CD LYS A 19 5.276 -15.749 0.581 1.00 0.00 C ATOM 303 CE LYS A 19 5.711 -17.051 1.239 1.00 0.00 C ATOM 304 NZ LYS A 19 4.560 -17.836 1.761 1.00 0.00 N ATOM 0 H LYS A 19 1.716 -14.222 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 19 2.819 -14.185 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.826 -14.739 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.963 -13.867 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.209 -16.131 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.322 -16.872 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.123 -15.304 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.966 -15.039 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.260 -17.654 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.397 -16.830 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.901 -18.743 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.090 -17.301 2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.883 -18.014 0.991 1.00 0.00 H new ATOM 318 N GLN A 20 1.391 -16.890 -2.152 1.00 0.00 N ATOM 319 CA GLN A 20 1.005 -18.226 -2.584 1.00 0.00 C ATOM 320 C GLN A 20 0.260 -18.157 -3.911 1.00 0.00 C ATOM 321 O GLN A 20 0.263 -19.109 -4.688 1.00 0.00 O ATOM 322 CB GLN A 20 0.134 -18.904 -1.524 1.00 0.00 C ATOM 323 CG GLN A 20 0.865 -19.159 -0.217 1.00 0.00 C ATOM 324 CD GLN A 20 0.012 -19.879 0.807 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.208 -19.715 0.848 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.647 -20.698 1.629 1.00 0.00 N ATOM 0 H GLN A 20 0.797 -16.495 -1.423 1.00 0.00 H new ATOM 0 HA GLN A 20 1.910 -18.819 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.739 -18.281 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.233 -19.852 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.759 -19.749 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.197 -18.208 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.659 -20.805 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.125 -21.223 2.330 1.00 0.00 H new ATOM 335 N VAL A 21 -0.366 -17.015 -4.166 1.00 0.00 N ATOM 336 CA VAL A 21 -1.096 -16.804 -5.407 1.00 0.00 C ATOM 337 C VAL A 21 -0.152 -16.282 -6.486 1.00 0.00 C ATOM 338 O VAL A 21 -0.345 -16.522 -7.678 1.00 0.00 O ATOM 339 CB VAL A 21 -2.259 -15.807 -5.215 1.00 0.00 C ATOM 340 CG1 VAL A 21 -3.106 -15.716 -6.474 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.116 -16.198 -4.020 1.00 0.00 C ATOM 0 H VAL A 21 -0.382 -16.220 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.514 -17.763 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.831 -14.824 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.919 -15.008 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.487 -15.378 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.520 -16.697 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.929 -15.481 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.530 -17.193 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.504 -16.200 -3.118 1.00 0.00 H new ATOM 351 N TRP A 22 0.875 -15.567 -6.056 1.00 0.00 N ATOM 352 CA TRP A 22 1.882 -15.059 -6.970 1.00 0.00 C ATOM 353 C TRP A 22 3.064 -16.015 -7.042 1.00 0.00 C ATOM 354 O TRP A 22 3.088 -17.047 -6.369 1.00 0.00 O ATOM 355 CB TRP A 22 2.386 -13.683 -6.523 1.00 0.00 C ATOM 356 CG TRP A 22 1.331 -12.621 -6.474 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.236 -12.505 -7.281 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.292 -11.500 -5.582 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.491 -11.392 -6.933 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.139 -10.756 -5.896 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.119 -11.057 -4.543 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.207 -9.596 -5.211 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.774 -9.903 -3.864 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.619 -9.185 -4.200 1.00 0.00 C ATOM 0 H TRP A 22 1.032 -15.326 -5.078 1.00 0.00 H new ATOM 0 HA TRP A 22 1.419 -14.969 -7.953 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.834 -13.778 -5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.176 -13.361 -7.202 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.021 -13.188 -8.077 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.359 -11.089 -7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.010 -11.606 -4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.096 -9.039 -5.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.405 -9.550 -3.062 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.375 -8.288 -3.650 1.00 0.00 H new ATOM 375 N SER A 23 4.032 -15.672 -7.868 1.00 0.00 N ATOM 376 CA SER A 23 5.299 -16.371 -7.880 1.00 0.00 C ATOM 377 C SER A 23 6.224 -15.719 -6.861 1.00 0.00 C ATOM 378 O SER A 23 6.194 -14.500 -6.692 1.00 0.00 O ATOM 379 CB SER A 23 5.908 -16.325 -9.279 1.00 0.00 C ATOM 380 OG SER A 23 5.018 -16.885 -10.229 1.00 0.00 O ATOM 0 H SER A 23 3.964 -14.910 -8.542 1.00 0.00 H new ATOM 0 HA SER A 23 5.154 -17.418 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.135 -15.294 -9.549 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.851 -16.872 -9.289 1.00 0.00 H new ATOM 0 HG SER A 23 5.424 -16.846 -11.120 1.00 0.00 H new ATOM 386 N VAL A 24 7.040 -16.524 -6.192 1.00 0.00 N ATOM 387 CA VAL A 24 7.863 -16.040 -5.086 1.00 0.00 C ATOM 388 C VAL A 24 8.793 -14.908 -5.532 1.00 0.00 C ATOM 389 O VAL A 24 9.063 -13.980 -4.766 1.00 0.00 O ATOM 390 CB VAL A 24 8.687 -17.184 -4.441 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.649 -17.809 -5.441 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.435 -16.686 -3.214 1.00 0.00 C ATOM 0 H VAL A 24 7.151 -17.517 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 24 7.178 -15.648 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 24 7.987 -17.958 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.211 -18.607 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.086 -18.219 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.340 -17.049 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.006 -17.506 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.114 -15.884 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.722 -16.311 -2.480 1.00 0.00 H new ATOM 402 N GLY A 25 9.254 -14.974 -6.776 1.00 0.00 N ATOM 403 CA GLY A 25 10.112 -13.932 -7.305 1.00 0.00 C ATOM 404 C GLY A 25 9.415 -12.587 -7.342 1.00 0.00 C ATOM 405 O GLY A 25 9.900 -11.613 -6.759 1.00 0.00 O ATOM 0 H GLY A 25 9.048 -15.731 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.011 -13.858 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.432 -14.202 -8.311 1.00 0.00 H new ATOM 409 N TYR A 26 8.262 -12.538 -8.001 1.00 0.00 N ATOM 410 CA TYR A 26 7.498 -11.301 -8.103 1.00 0.00 C ATOM 411 C TYR A 26 6.922 -10.904 -6.749 1.00 0.00 C ATOM 412 O TYR A 26 6.806 -9.722 -6.443 1.00 0.00 O ATOM 413 CB TYR A 26 6.368 -11.430 -9.129 1.00 0.00 C ATOM 414 CG TYR A 26 5.547 -10.166 -9.266 1.00 0.00 C ATOM 415 CD1 TYR A 26 6.105 -9.014 -9.805 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.224 -10.118 -8.842 1.00 0.00 C ATOM 417 CE1 TYR A 26 5.370 -7.849 -9.918 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.481 -8.957 -8.956 1.00 0.00 C ATOM 419 CZ TYR A 26 4.060 -7.825 -9.493 1.00 0.00 C ATOM 420 OH TYR A 26 3.325 -6.664 -9.600 1.00 0.00 O ATOM 0 H TYR A 26 7.838 -13.338 -8.471 1.00 0.00 H new ATOM 0 HA TYR A 26 8.183 -10.522 -8.437 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.793 -11.688 -10.099 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.714 -12.252 -8.839 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.131 -9.029 -10.142 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.769 -11.001 -8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.821 -6.962 -10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.453 -8.936 -8.626 1.00 0.00 H new ATOM 0 HH TYR A 26 3.644 -6.144 -10.367 1.00 0.00 H new ATOM 430 N ALA A 27 6.560 -11.894 -5.944 1.00 0.00 N ATOM 431 CA ALA A 27 6.035 -11.634 -4.612 1.00 0.00 C ATOM 432 C ALA A 27 7.045 -10.852 -3.783 1.00 0.00 C ATOM 433 O ALA A 27 6.713 -9.830 -3.184 1.00 0.00 O ATOM 434 CB ALA A 27 5.667 -12.938 -3.919 1.00 0.00 C ATOM 0 H ALA A 27 6.620 -12.882 -6.190 1.00 0.00 H new ATOM 0 HA ALA A 27 5.132 -11.031 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.276 -12.724 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.908 -13.459 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.553 -13.567 -3.833 1.00 0.00 H new ATOM 440 N THR A 28 8.282 -11.327 -3.770 1.00 0.00 N ATOM 441 CA THR A 28 9.342 -10.660 -3.032 1.00 0.00 C ATOM 442 C THR A 28 9.725 -9.343 -3.707 1.00 0.00 C ATOM 443 O THR A 28 10.107 -8.383 -3.041 1.00 0.00 O ATOM 444 CB THR A 28 10.577 -11.569 -2.903 1.00 0.00 C ATOM 445 OG1 THR A 28 10.158 -12.879 -2.503 1.00 0.00 O ATOM 446 CG2 THR A 28 11.553 -11.016 -1.875 1.00 0.00 C ATOM 0 H THR A 28 8.575 -12.171 -4.262 1.00 0.00 H new ATOM 0 HA THR A 28 8.968 -10.443 -2.032 1.00 0.00 H new ATOM 0 HB THR A 28 11.080 -11.613 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.869 -13.385 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.417 -11.676 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.880 -10.022 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.062 -10.953 -0.904 1.00 0.00 H new ATOM 454 N GLU A 29 9.596 -9.298 -5.029 1.00 0.00 N ATOM 455 CA GLU A 29 9.862 -8.082 -5.786 1.00 0.00 C ATOM 456 C GLU A 29 8.847 -7.003 -5.425 1.00 0.00 C ATOM 457 O GLU A 29 9.206 -5.857 -5.157 1.00 0.00 O ATOM 458 CB GLU A 29 9.820 -8.377 -7.287 1.00 0.00 C ATOM 459 CG GLU A 29 10.016 -7.152 -8.162 1.00 0.00 C ATOM 460 CD GLU A 29 10.192 -7.507 -9.622 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.199 -7.882 -10.279 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.331 -7.415 -10.121 1.00 0.00 O ATOM 0 H GLU A 29 9.308 -10.093 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 29 10.857 -7.719 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.592 -9.108 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.861 -8.835 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.157 -6.490 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.890 -6.599 -7.818 1.00 0.00 H new ATOM 469 N LEU A 30 7.578 -7.390 -5.404 1.00 0.00 N ATOM 470 CA LEU A 30 6.502 -6.494 -5.011 1.00 0.00 C ATOM 471 C LEU A 30 6.672 -6.096 -3.549 1.00 0.00 C ATOM 472 O LEU A 30 6.430 -4.947 -3.175 1.00 0.00 O ATOM 473 CB LEU A 30 5.146 -7.179 -5.246 1.00 0.00 C ATOM 474 CG LEU A 30 3.898 -6.342 -4.933 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.744 -6.761 -5.829 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.496 -6.497 -3.473 1.00 0.00 C ATOM 0 H LEU A 30 7.268 -8.328 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 30 6.537 -5.589 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.096 -7.490 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.111 -8.085 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 30 4.137 -5.295 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.866 -6.159 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.021 -6.611 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.517 -7.814 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.609 -5.895 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.278 -7.544 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.313 -6.163 -2.833 1.00 0.00 H new ATOM 488 N ALA A 31 7.109 -7.049 -2.734 1.00 0.00 N ATOM 489 CA ALA A 31 7.382 -6.789 -1.330 1.00 0.00 C ATOM 490 C ALA A 31 8.503 -5.767 -1.181 1.00 0.00 C ATOM 491 O ALA A 31 8.404 -4.845 -0.377 1.00 0.00 O ATOM 492 CB ALA A 31 7.742 -8.078 -0.606 1.00 0.00 C ATOM 0 H ALA A 31 7.282 -8.011 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 31 6.479 -6.379 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.943 -7.862 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.912 -8.781 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.630 -8.516 -1.062 1.00 0.00 H new ATOM 498 N LYS A 32 9.561 -5.932 -1.968 1.00 0.00 N ATOM 499 CA LYS A 32 10.693 -5.014 -1.942 1.00 0.00 C ATOM 500 C LYS A 32 10.288 -3.646 -2.489 1.00 0.00 C ATOM 501 O LYS A 32 10.820 -2.615 -2.071 1.00 0.00 O ATOM 502 CB LYS A 32 11.861 -5.588 -2.754 1.00 0.00 C ATOM 503 CG LYS A 32 13.136 -4.769 -2.652 1.00 0.00 C ATOM 504 CD LYS A 32 14.252 -5.359 -3.496 1.00 0.00 C ATOM 505 CE LYS A 32 15.527 -4.545 -3.369 1.00 0.00 C ATOM 506 NZ LYS A 32 16.117 -4.627 -2.005 1.00 0.00 N ATOM 0 H LYS A 32 9.658 -6.698 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 32 11.013 -4.890 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.064 -6.604 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.566 -5.655 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.938 -3.746 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.454 -4.720 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.441 -6.387 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.942 -5.393 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.255 -4.898 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.315 -3.503 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.065 -4.200 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.511 -4.115 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.188 -5.624 -1.717 1.00 0.00 H new ATOM 520 N MET A 33 9.348 -3.646 -3.424 1.00 0.00 N ATOM 521 CA MET A 33 8.788 -2.410 -3.956 1.00 0.00 C ATOM 522 C MET A 33 8.042 -1.657 -2.856 1.00 0.00 C ATOM 523 O MET A 33 8.318 -0.479 -2.599 1.00 0.00 O ATOM 524 CB MET A 33 7.869 -2.727 -5.143 1.00 0.00 C ATOM 525 CG MET A 33 7.126 -1.525 -5.706 1.00 0.00 C ATOM 526 SD MET A 33 5.464 -1.357 -5.022 1.00 0.00 S ATOM 527 CE MET A 33 4.689 -2.841 -5.658 1.00 0.00 C ATOM 0 H MET A 33 8.955 -4.494 -3.832 1.00 0.00 H new ATOM 0 HA MET A 33 9.593 -1.767 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.465 -3.174 -5.938 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.140 -3.475 -4.832 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.695 -0.619 -5.496 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.062 -1.617 -6.790 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.020 -3.254 -4.903 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.118 -2.598 -6.554 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.456 -3.575 -5.904 1.00 0.00 H new ATOM 537 N PHE A 34 7.124 -2.356 -2.188 1.00 0.00 N ATOM 538 CA PHE A 34 6.427 -1.807 -1.026 1.00 0.00 C ATOM 539 C PHE A 34 7.432 -1.374 0.034 1.00 0.00 C ATOM 540 O PHE A 34 7.272 -0.342 0.678 1.00 0.00 O ATOM 541 CB PHE A 34 5.483 -2.850 -0.424 1.00 0.00 C ATOM 542 CG PHE A 34 4.058 -2.728 -0.877 1.00 0.00 C ATOM 543 CD1 PHE A 34 3.690 -3.068 -2.169 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.083 -2.276 -0.002 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.376 -2.959 -2.578 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.767 -2.165 -0.407 1.00 0.00 C ATOM 547 CZ PHE A 34 1.414 -2.506 -1.696 1.00 0.00 C ATOM 0 H PHE A 34 6.846 -3.306 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 34 5.847 -0.944 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.849 -3.844 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.515 -2.768 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.438 -3.422 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.355 -2.007 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.100 -3.228 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.016 -1.812 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.386 -2.419 -2.016 1.00 0.00 H new ATOM 557 N ASP A 35 8.467 -2.184 0.196 1.00 0.00 N ATOM 558 CA ASP A 35 9.514 -1.933 1.175 1.00 0.00 C ATOM 559 C ASP A 35 10.217 -0.608 0.909 1.00 0.00 C ATOM 560 O ASP A 35 10.071 0.350 1.668 1.00 0.00 O ATOM 561 CB ASP A 35 10.539 -3.073 1.137 1.00 0.00 C ATOM 562 CG ASP A 35 11.665 -2.911 2.141 1.00 0.00 C ATOM 563 OD1 ASP A 35 12.571 -2.079 1.910 1.00 0.00 O ATOM 564 OD2 ASP A 35 11.664 -3.642 3.154 1.00 0.00 O ATOM 0 H ASP A 35 8.605 -3.035 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 35 9.050 -1.881 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.028 -4.017 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.963 -3.136 0.135 1.00 0.00 H new ATOM 569 N ASP A 36 10.932 -0.554 -0.205 1.00 0.00 N ATOM 570 CA ASP A 36 11.870 0.528 -0.473 1.00 0.00 C ATOM 571 C ASP A 36 11.184 1.885 -0.567 1.00 0.00 C ATOM 572 O ASP A 36 11.735 2.896 -0.127 1.00 0.00 O ATOM 573 CB ASP A 36 12.643 0.247 -1.762 1.00 0.00 C ATOM 574 CG ASP A 36 13.793 1.211 -1.960 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.753 1.162 -1.163 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.754 2.006 -2.920 1.00 0.00 O ATOM 0 H ASP A 36 10.880 -1.254 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 36 12.559 0.570 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.026 -0.773 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.965 0.314 -2.613 1.00 0.00 H new ATOM 581 N ASP A 37 9.984 1.915 -1.125 1.00 0.00 N ATOM 582 CA ASP A 37 9.295 3.181 -1.343 1.00 0.00 C ATOM 583 C ASP A 37 8.234 3.441 -0.283 1.00 0.00 C ATOM 584 O ASP A 37 8.234 4.488 0.360 1.00 0.00 O ATOM 585 CB ASP A 37 8.650 3.222 -2.731 1.00 0.00 C ATOM 586 CG ASP A 37 9.668 3.270 -3.853 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.417 4.266 -3.945 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.724 2.316 -4.654 1.00 0.00 O ATOM 0 H ASP A 37 9.470 1.089 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 37 10.049 3.965 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.018 2.343 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.001 4.095 -2.799 1.00 0.00 H new ATOM 593 N ILE A 38 7.350 2.479 -0.086 1.00 0.00 N ATOM 594 CA ILE A 38 6.161 2.687 0.728 1.00 0.00 C ATOM 595 C ILE A 38 6.459 2.625 2.229 1.00 0.00 C ATOM 596 O ILE A 38 5.858 3.367 3.013 1.00 0.00 O ATOM 597 CB ILE A 38 5.070 1.653 0.372 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.881 1.609 -1.149 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.760 1.986 1.075 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.745 0.723 -1.611 1.00 0.00 C ATOM 0 H ILE A 38 7.432 1.542 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 38 5.802 3.691 0.504 1.00 0.00 H new ATOM 0 HB ILE A 38 5.387 0.668 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.706 2.622 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.807 1.262 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.006 1.245 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.914 1.977 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.422 2.975 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.682 0.750 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.926 -0.301 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.808 1.081 -1.184 1.00 0.00 H new ATOM 612 N LEU A 39 7.392 1.768 2.636 1.00 0.00 N ATOM 613 CA LEU A 39 7.641 1.559 4.062 1.00 0.00 C ATOM 614 C LEU A 39 8.180 2.810 4.767 1.00 0.00 C ATOM 615 O LEU A 39 7.677 3.164 5.833 1.00 0.00 O ATOM 616 CB LEU A 39 8.557 0.359 4.313 1.00 0.00 C ATOM 617 CG LEU A 39 7.952 -1.003 3.962 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.806 -2.126 4.532 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.521 -1.108 4.468 1.00 0.00 C ATOM 0 H LEU A 39 7.980 1.215 2.012 1.00 0.00 H new ATOM 0 HA LEU A 39 6.667 1.341 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.472 0.493 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.842 0.353 5.365 1.00 0.00 H new ATOM 0 HG LEU A 39 7.934 -1.099 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.362 -3.088 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.811 -2.066 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.857 -2.030 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.113 -2.084 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.508 -0.988 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.915 -0.327 4.009 1.00 0.00 H new ATOM 631 N PRO A 40 9.194 3.513 4.211 1.00 0.00 N ATOM 632 CA PRO A 40 9.694 4.754 4.818 1.00 0.00 C ATOM 633 C PRO A 40 8.636 5.860 4.849 1.00 0.00 C ATOM 634 O PRO A 40 8.775 6.845 5.576 1.00 0.00 O ATOM 635 CB PRO A 40 10.868 5.159 3.920 1.00 0.00 C ATOM 636 CG PRO A 40 10.639 4.445 2.637 1.00 0.00 C ATOM 637 CD PRO A 40 9.954 3.160 2.998 1.00 0.00 C ATOM 0 HA PRO A 40 9.976 4.603 5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.896 6.238 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.821 4.874 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.023 5.040 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.581 4.254 2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.299 2.815 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.671 2.362 3.190 1.00 0.00 H new ATOM 645 N ILE A 41 7.573 5.686 4.072 1.00 0.00 N ATOM 646 CA ILE A 41 6.511 6.680 4.006 1.00 0.00 C ATOM 647 C ILE A 41 5.423 6.385 5.036 1.00 0.00 C ATOM 648 O ILE A 41 5.185 7.192 5.936 1.00 0.00 O ATOM 649 CB ILE A 41 5.890 6.760 2.591 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.975 7.088 1.562 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.779 7.807 2.543 1.00 0.00 C ATOM 652 CD1 ILE A 41 6.459 7.200 0.144 1.00 0.00 C ATOM 0 H ILE A 41 7.425 4.868 3.481 1.00 0.00 H new ATOM 0 HA ILE A 41 6.962 7.646 4.234 1.00 0.00 H new ATOM 0 HB ILE A 41 5.453 5.791 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.454 8.027 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.743 6.316 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.358 7.845 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.997 7.541 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.188 8.784 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.286 7.434 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.006 6.254 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.713 7.992 0.090 1.00 0.00 H new ATOM 664 N ILE A 42 4.776 5.225 4.921 1.00 0.00 N ATOM 665 CA ILE A 42 3.678 4.884 5.827 1.00 0.00 C ATOM 666 C ILE A 42 3.823 3.491 6.429 1.00 0.00 C ATOM 667 O ILE A 42 3.003 3.085 7.250 1.00 0.00 O ATOM 668 CB ILE A 42 2.309 4.935 5.128 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.243 3.892 4.013 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.036 6.327 4.586 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.843 3.400 3.750 1.00 0.00 C ATOM 0 H ILE A 42 4.988 4.515 4.221 1.00 0.00 H new ATOM 0 HA ILE A 42 3.730 5.636 6.615 1.00 0.00 H new ATOM 0 HB ILE A 42 1.536 4.702 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.650 4.321 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.876 3.045 4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.063 6.342 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.040 7.044 5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.809 6.595 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.861 2.662 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.442 2.943 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.212 4.239 3.456 1.00 0.00 H new ATOM 683 N GLY A 43 4.851 2.758 6.026 1.00 0.00 N ATOM 684 CA GLY A 43 5.010 1.393 6.499 1.00 0.00 C ATOM 685 C GLY A 43 5.156 1.314 8.002 1.00 0.00 C ATOM 686 O GLY A 43 4.679 0.369 8.635 1.00 0.00 O ATOM 0 H GLY A 43 5.575 3.079 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.148 0.802 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.887 0.949 6.028 1.00 0.00 H new ATOM 690 N GLY A 44 5.808 2.313 8.573 1.00 0.00 N ATOM 691 CA GLY A 44 6.002 2.343 10.005 1.00 0.00 C ATOM 692 C GLY A 44 4.827 2.954 10.739 1.00 0.00 C ATOM 693 O GLY A 44 4.876 3.131 11.958 1.00 0.00 O ATOM 0 H GLY A 44 6.207 3.105 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.164 1.328 10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.904 2.911 10.234 1.00 0.00 H new ATOM 697 N LEU A 45 3.767 3.282 10.011 1.00 0.00 N ATOM 698 CA LEU A 45 2.594 3.874 10.622 1.00 0.00 C ATOM 699 C LEU A 45 1.564 2.801 10.945 1.00 0.00 C ATOM 700 O LEU A 45 1.697 1.645 10.528 1.00 0.00 O ATOM 701 CB LEU A 45 1.993 4.930 9.693 1.00 0.00 C ATOM 702 CG LEU A 45 2.937 6.075 9.318 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.262 7.022 8.344 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.391 6.826 10.561 1.00 0.00 C ATOM 0 H LEU A 45 3.700 3.147 9.002 1.00 0.00 H new ATOM 0 HA LEU A 45 2.891 4.356 11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.659 4.440 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.108 5.351 10.170 1.00 0.00 H new ATOM 0 HG LEU A 45 3.816 5.649 8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.947 7.830 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.987 6.479 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.366 7.438 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.061 7.636 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.523 7.239 11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.915 6.142 11.228 1.00 0.00 H new ATOM 716 N GLU A 46 0.550 3.183 11.698 1.00 0.00 N ATOM 717 CA GLU A 46 -0.529 2.279 12.045 1.00 0.00 C ATOM 718 C GLU A 46 -1.591 2.322 10.956 1.00 0.00 C ATOM 719 O GLU A 46 -1.927 3.394 10.462 1.00 0.00 O ATOM 720 CB GLU A 46 -1.122 2.665 13.402 1.00 0.00 C ATOM 721 CG GLU A 46 -2.267 1.774 13.855 1.00 0.00 C ATOM 722 CD GLU A 46 -2.656 2.029 15.291 1.00 0.00 C ATOM 723 OE1 GLU A 46 -3.349 3.029 15.558 1.00 0.00 O ATOM 724 OE2 GLU A 46 -2.249 1.234 16.165 1.00 0.00 O ATOM 0 H GLU A 46 0.451 4.122 12.084 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.145 1.262 12.122 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.333 2.634 14.153 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.475 3.695 13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.131 1.941 13.212 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.980 0.729 13.739 1.00 0.00 H new ATOM 731 N ILE A 47 -2.121 1.161 10.595 1.00 0.00 N ATOM 732 CA ILE A 47 -3.048 1.054 9.473 1.00 0.00 C ATOM 733 C ILE A 47 -4.344 1.832 9.741 1.00 0.00 C ATOM 734 O ILE A 47 -5.068 2.199 8.817 1.00 0.00 O ATOM 735 CB ILE A 47 -3.369 -0.427 9.166 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.991 -0.559 7.776 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.293 -1.014 10.228 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.152 -1.988 7.310 1.00 0.00 C ATOM 0 H ILE A 47 -1.925 0.277 11.064 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.561 1.495 8.603 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.436 -0.991 9.183 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.968 -0.076 7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.371 -0.021 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.504 -2.057 9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.810 -0.955 11.203 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.226 -0.451 10.250 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.600 -1.998 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.176 -2.471 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.797 -2.527 8.004 1.00 0.00 H new ATOM 750 N GLN A 48 -4.617 2.090 11.013 1.00 0.00 N ATOM 751 CA GLN A 48 -5.808 2.830 11.411 1.00 0.00 C ATOM 752 C GLN A 48 -5.568 4.340 11.363 1.00 0.00 C ATOM 753 O GLN A 48 -6.520 5.124 11.375 1.00 0.00 O ATOM 754 CB GLN A 48 -6.235 2.433 12.825 1.00 0.00 C ATOM 755 CG GLN A 48 -6.423 0.938 13.022 1.00 0.00 C ATOM 756 CD GLN A 48 -6.892 0.597 14.423 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.593 1.307 15.379 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.617 -0.499 14.555 1.00 0.00 N ATOM 0 H GLN A 48 -4.026 1.796 11.791 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.600 2.580 10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.486 2.790 13.532 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.169 2.940 13.066 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.148 0.567 12.298 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.482 0.426 12.822 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.844 -1.062 13.735 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.950 -0.782 15.477 1.00 0.00 H new ATOM 767 N ASP A 49 -4.303 4.747 11.308 1.00 0.00 N ATOM 768 CA ASP A 49 -3.962 6.166 11.362 1.00 0.00 C ATOM 769 C ASP A 49 -2.899 6.510 10.327 1.00 0.00 C ATOM 770 O ASP A 49 -1.701 6.508 10.619 1.00 0.00 O ATOM 771 CB ASP A 49 -3.475 6.558 12.761 1.00 0.00 C ATOM 772 CG ASP A 49 -3.289 8.056 12.920 1.00 0.00 C ATOM 773 OD1 ASP A 49 -2.183 8.564 12.641 1.00 0.00 O ATOM 774 OD2 ASP A 49 -4.246 8.735 13.347 1.00 0.00 O ATOM 0 H ASP A 49 -3.502 4.120 11.227 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.866 6.732 11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.191 6.205 13.503 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.530 6.055 12.966 1.00 0.00 H new ATOM 779 N ILE A 50 -3.345 6.759 9.109 1.00 0.00 N ATOM 780 CA ILE A 50 -2.460 7.178 8.033 1.00 0.00 C ATOM 781 C ILE A 50 -3.037 8.405 7.341 1.00 0.00 C ATOM 782 O ILE A 50 -4.226 8.440 7.023 1.00 0.00 O ATOM 783 CB ILE A 50 -2.247 6.048 6.993 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.565 4.843 7.648 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.425 6.547 5.811 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.377 3.666 6.718 1.00 0.00 C ATOM 0 H ILE A 50 -4.325 6.678 8.837 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.492 7.418 8.472 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.223 5.737 6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.592 5.152 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.157 4.525 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.289 5.737 5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.946 7.374 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.451 6.888 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.888 2.853 7.254 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.349 3.329 6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.759 3.966 5.872 1.00 0.00 H new ATOM 798 N GLU A 51 -2.204 9.416 7.129 1.00 0.00 N ATOM 799 CA GLU A 51 -2.654 10.642 6.484 1.00 0.00 C ATOM 800 C GLU A 51 -2.918 10.402 5.004 1.00 0.00 C ATOM 801 O GLU A 51 -2.159 9.693 4.340 1.00 0.00 O ATOM 802 CB GLU A 51 -1.615 11.756 6.626 1.00 0.00 C ATOM 803 CG GLU A 51 -1.229 12.072 8.057 1.00 0.00 C ATOM 804 CD GLU A 51 -0.402 13.337 8.163 1.00 0.00 C ATOM 805 OE1 GLU A 51 0.754 13.343 7.696 1.00 0.00 O ATOM 806 OE2 GLU A 51 -0.913 14.340 8.702 1.00 0.00 O ATOM 0 H GLU A 51 -1.219 9.412 7.393 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.576 10.949 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.718 11.473 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.004 12.661 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.131 12.179 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.666 11.236 8.472 1.00 0.00 H new ATOM 813 N PRO A 52 -3.992 10.996 4.463 1.00 0.00 N ATOM 814 CA PRO A 52 -4.284 10.938 3.028 1.00 0.00 C ATOM 815 C PRO A 52 -3.124 11.491 2.207 1.00 0.00 C ATOM 816 O PRO A 52 -2.826 11.003 1.119 1.00 0.00 O ATOM 817 CB PRO A 52 -5.521 11.827 2.871 1.00 0.00 C ATOM 818 CG PRO A 52 -6.145 11.863 4.225 1.00 0.00 C ATOM 819 CD PRO A 52 -5.014 11.754 5.206 1.00 0.00 C ATOM 0 HA PRO A 52 -4.442 9.918 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.248 12.828 2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.209 11.419 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.702 12.788 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.851 11.042 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.647 12.735 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.318 11.235 6.115 1.00 0.00 H new ATOM 827 N MET A 53 -2.462 12.503 2.759 1.00 0.00 N ATOM 828 CA MET A 53 -1.310 13.118 2.113 1.00 0.00 C ATOM 829 C MET A 53 -0.148 12.135 2.039 1.00 0.00 C ATOM 830 O MET A 53 0.592 12.113 1.065 1.00 0.00 O ATOM 831 CB MET A 53 -0.874 14.373 2.875 1.00 0.00 C ATOM 832 CG MET A 53 -1.922 15.474 2.902 1.00 0.00 C ATOM 833 SD MET A 53 -1.389 16.915 3.847 1.00 0.00 S ATOM 834 CE MET A 53 0.036 17.443 2.897 1.00 0.00 C ATOM 0 H MET A 53 -2.707 12.916 3.659 1.00 0.00 H new ATOM 0 HA MET A 53 -1.601 13.399 1.101 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.626 14.096 3.900 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.037 14.763 2.421 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.151 15.778 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.844 15.083 3.332 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.269 18.480 3.137 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.891 16.813 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.184 17.358 1.833 1.00 0.00 H new ATOM 844 N GLN A 54 -0.008 11.313 3.071 1.00 0.00 N ATOM 845 CA GLN A 54 1.079 10.345 3.131 1.00 0.00 C ATOM 846 C GLN A 54 0.819 9.169 2.205 1.00 0.00 C ATOM 847 O GLN A 54 1.735 8.668 1.556 1.00 0.00 O ATOM 848 CB GLN A 54 1.283 9.858 4.560 1.00 0.00 C ATOM 849 CG GLN A 54 2.098 10.817 5.402 1.00 0.00 C ATOM 850 CD GLN A 54 2.122 10.434 6.867 1.00 0.00 C ATOM 851 OE1 GLN A 54 1.157 9.875 7.392 1.00 0.00 O ATOM 852 NE2 GLN A 54 3.228 10.723 7.533 1.00 0.00 N ATOM 0 H GLN A 54 -0.633 11.297 3.877 1.00 0.00 H new ATOM 0 HA GLN A 54 1.989 10.844 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.311 9.708 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.780 8.888 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.119 10.849 5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.688 11.822 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.003 11.187 7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.306 10.482 8.521 1.00 0.00 H new ATOM 861 N LEU A 55 -0.426 8.727 2.138 1.00 0.00 N ATOM 862 CA LEU A 55 -0.785 7.657 1.221 1.00 0.00 C ATOM 863 C LEU A 55 -0.631 8.151 -0.214 1.00 0.00 C ATOM 864 O LEU A 55 -0.248 7.397 -1.110 1.00 0.00 O ATOM 865 CB LEU A 55 -2.213 7.170 1.486 1.00 0.00 C ATOM 866 CG LEU A 55 -2.594 5.861 0.789 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.640 4.743 1.188 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.026 5.474 1.126 1.00 0.00 C ATOM 0 H LEU A 55 -1.197 9.087 2.700 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.117 6.810 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.343 7.042 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.909 7.947 1.171 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.518 6.014 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.928 3.821 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.624 5.012 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.685 4.594 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.279 4.541 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.123 5.342 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.703 6.261 0.794 1.00 0.00 H new ATOM 880 N LEU A 56 -0.912 9.435 -0.418 1.00 0.00 N ATOM 881 CA LEU A 56 -0.702 10.068 -1.711 1.00 0.00 C ATOM 882 C LEU A 56 0.792 10.207 -1.981 1.00 0.00 C ATOM 883 O LEU A 56 1.237 10.050 -3.113 1.00 0.00 O ATOM 884 CB LEU A 56 -1.413 11.434 -1.758 1.00 0.00 C ATOM 885 CG LEU A 56 -1.370 12.199 -3.097 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.110 13.046 -3.210 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.462 11.240 -4.276 1.00 0.00 C ATOM 0 H LEU A 56 -1.286 10.056 0.299 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.132 9.444 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.458 11.282 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.975 12.071 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.233 12.864 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.110 13.572 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.084 13.771 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.768 12.402 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.430 11.805 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.624 10.543 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.398 10.684 -4.221 1.00 0.00 H new ATOM 899 N GLU A 57 1.561 10.479 -0.933 1.00 0.00 N ATOM 900 CA GLU A 57 3.007 10.590 -1.057 1.00 0.00 C ATOM 901 C GLU A 57 3.591 9.266 -1.538 1.00 0.00 C ATOM 902 O GLU A 57 4.563 9.240 -2.284 1.00 0.00 O ATOM 903 CB GLU A 57 3.635 10.999 0.279 1.00 0.00 C ATOM 904 CG GLU A 57 5.071 11.476 0.151 1.00 0.00 C ATOM 905 CD GLU A 57 5.185 12.721 -0.706 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.050 12.615 -1.942 1.00 0.00 O ATOM 907 OE2 GLU A 57 5.406 13.816 -0.148 1.00 0.00 O ATOM 0 H GLU A 57 1.206 10.627 0.012 1.00 0.00 H new ATOM 0 HA GLU A 57 3.236 11.364 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.035 11.792 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.602 10.150 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.474 11.681 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.679 10.682 -0.282 1.00 0.00 H new ATOM 914 N VAL A 58 2.979 8.167 -1.108 1.00 0.00 N ATOM 915 CA VAL A 58 3.344 6.840 -1.591 1.00 0.00 C ATOM 916 C VAL A 58 3.134 6.748 -3.102 1.00 0.00 C ATOM 917 O VAL A 58 4.055 6.435 -3.864 1.00 0.00 O ATOM 918 CB VAL A 58 2.504 5.747 -0.891 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.724 4.393 -1.541 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.838 5.686 0.591 1.00 0.00 C ATOM 0 H VAL A 58 2.224 8.170 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 58 4.397 6.679 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 58 1.451 6.008 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.122 3.642 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.431 4.441 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.778 4.123 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.237 4.911 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.896 5.454 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.621 6.649 1.053 1.00 0.00 H new ATOM 930 N ILE A 59 1.917 7.048 -3.525 1.00 0.00 N ATOM 931 CA ILE A 59 1.563 7.031 -4.942 1.00 0.00 C ATOM 932 C ILE A 59 2.465 7.983 -5.732 1.00 0.00 C ATOM 933 O ILE A 59 3.007 7.622 -6.778 1.00 0.00 O ATOM 934 CB ILE A 59 0.068 7.401 -5.154 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.832 6.163 -5.061 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.160 8.108 -6.485 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.826 5.484 -3.707 1.00 0.00 C ATOM 0 H ILE A 59 1.150 7.309 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 59 1.714 6.017 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.199 8.090 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.854 6.453 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.517 5.443 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.218 8.349 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.426 9.027 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.149 7.455 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.489 4.619 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.186 5.159 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.171 6.185 -2.947 1.00 0.00 H new ATOM 949 N ARG A 60 2.656 9.181 -5.193 1.00 0.00 N ATOM 950 CA ARG A 60 3.452 10.206 -5.850 1.00 0.00 C ATOM 951 C ARG A 60 4.932 9.827 -5.847 1.00 0.00 C ATOM 952 O ARG A 60 5.699 10.272 -6.703 1.00 0.00 O ATOM 953 CB ARG A 60 3.239 11.551 -5.155 1.00 0.00 C ATOM 954 CG ARG A 60 3.762 12.733 -5.948 1.00 0.00 C ATOM 955 CD ARG A 60 3.438 14.048 -5.266 1.00 0.00 C ATOM 956 NE ARG A 60 4.120 14.192 -3.985 1.00 0.00 N ATOM 957 CZ ARG A 60 4.728 15.308 -3.593 1.00 0.00 C ATOM 958 NH1 ARG A 60 4.814 16.347 -4.415 1.00 0.00 N ATOM 959 NH2 ARG A 60 5.283 15.376 -2.391 1.00 0.00 N ATOM 0 H ARG A 60 2.266 9.466 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 60 3.130 10.289 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.174 11.691 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.731 11.530 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.841 12.642 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.326 12.723 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.721 14.873 -5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.361 14.119 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 60 4.131 13.391 -3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.413 16.291 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.281 17.201 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.244 14.572 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.749 16.233 -2.092 1.00 0.00 H new ATOM 973 N ARG A 61 5.321 9.001 -4.882 1.00 0.00 N ATOM 974 CA ARG A 61 6.676 8.466 -4.814 1.00 0.00 C ATOM 975 C ARG A 61 6.971 7.660 -6.072 1.00 0.00 C ATOM 976 O ARG A 61 8.048 7.770 -6.661 1.00 0.00 O ATOM 977 CB ARG A 61 6.829 7.582 -3.568 1.00 0.00 C ATOM 978 CG ARG A 61 8.233 7.045 -3.339 1.00 0.00 C ATOM 979 CD ARG A 61 9.212 8.161 -3.028 1.00 0.00 C ATOM 980 NE ARG A 61 10.533 7.644 -2.686 1.00 0.00 N ATOM 981 CZ ARG A 61 11.662 8.058 -3.252 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.630 8.983 -4.202 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.820 7.545 -2.863 1.00 0.00 N ATOM 0 H ARG A 61 4.710 8.685 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 61 7.386 9.290 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.527 8.156 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.141 6.740 -3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.221 6.331 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.566 6.504 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.293 8.824 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.830 8.759 -2.200 1.00 0.00 H new ATOM 0 HE ARG A 61 10.594 6.921 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.738 9.378 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.498 9.299 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.843 6.835 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.688 7.860 -3.295 1.00 0.00 H new ATOM 997 N PHE A 62 5.999 6.860 -6.486 1.00 0.00 N ATOM 998 CA PHE A 62 6.126 6.094 -7.720 1.00 0.00 C ATOM 999 C PHE A 62 5.984 6.998 -8.942 1.00 0.00 C ATOM 1000 O PHE A 62 6.613 6.761 -9.978 1.00 0.00 O ATOM 1001 CB PHE A 62 5.093 4.970 -7.769 1.00 0.00 C ATOM 1002 CG PHE A 62 5.312 3.922 -6.720 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.269 2.939 -6.897 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.566 3.925 -5.555 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.480 1.977 -5.930 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.772 2.967 -4.584 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.730 1.992 -4.771 1.00 0.00 C ATOM 0 H PHE A 62 5.118 6.724 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 62 7.122 5.650 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.097 5.395 -7.647 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.121 4.502 -8.753 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.858 2.924 -7.802 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.814 4.686 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.230 1.214 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.184 2.980 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.893 1.241 -4.012 1.00 0.00 H new ATOM 1017 N GLU A 63 5.173 8.043 -8.815 1.00 0.00 N ATOM 1018 CA GLU A 63 4.966 8.992 -9.907 1.00 0.00 C ATOM 1019 C GLU A 63 6.221 9.818 -10.173 1.00 0.00 C ATOM 1020 O GLU A 63 6.378 10.389 -11.252 1.00 0.00 O ATOM 1021 CB GLU A 63 3.793 9.926 -9.613 1.00 0.00 C ATOM 1022 CG GLU A 63 2.449 9.225 -9.532 1.00 0.00 C ATOM 1023 CD GLU A 63 1.298 10.208 -9.522 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.067 10.849 -8.475 1.00 0.00 O ATOM 1025 OE2 GLU A 63 0.641 10.371 -10.574 1.00 0.00 O ATOM 0 H GLU A 63 4.647 8.256 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 63 4.737 8.406 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.980 10.441 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.747 10.689 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.341 8.549 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.412 8.614 -8.630 1.00 0.00 H new ATOM 1032 N ASP A 64 7.108 9.890 -9.187 1.00 0.00 N ATOM 1033 CA ASP A 64 8.378 10.593 -9.354 1.00 0.00 C ATOM 1034 C ASP A 64 9.226 9.916 -10.419 1.00 0.00 C ATOM 1035 O ASP A 64 9.859 10.576 -11.243 1.00 0.00 O ATOM 1036 CB ASP A 64 9.151 10.640 -8.037 1.00 0.00 C ATOM 1037 CG ASP A 64 10.529 11.256 -8.199 1.00 0.00 C ATOM 1038 OD1 ASP A 64 10.637 12.501 -8.173 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.508 10.498 -8.349 1.00 0.00 O ATOM 0 H ASP A 64 6.974 9.472 -8.266 1.00 0.00 H new ATOM 0 HA ASP A 64 8.156 11.613 -9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.583 11.214 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.252 9.629 -7.641 1.00 0.00 H new ATOM 1044 N ARG A 65 9.226 8.591 -10.402 1.00 0.00 N ATOM 1045 CA ARG A 65 9.981 7.823 -11.377 1.00 0.00 C ATOM 1046 C ARG A 65 9.141 7.586 -12.628 1.00 0.00 C ATOM 1047 O ARG A 65 9.665 7.235 -13.685 1.00 0.00 O ATOM 1048 CB ARG A 65 10.446 6.494 -10.774 1.00 0.00 C ATOM 1049 CG ARG A 65 11.336 6.677 -9.554 1.00 0.00 C ATOM 1050 CD ARG A 65 11.960 5.367 -9.099 1.00 0.00 C ATOM 1051 NE ARG A 65 10.958 4.369 -8.717 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.624 4.092 -7.455 1.00 0.00 C ATOM 1053 NH1 ARG A 65 11.136 4.798 -6.456 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.771 3.111 -7.191 1.00 0.00 N ATOM 0 H ARG A 65 8.712 8.028 -9.724 1.00 0.00 H new ATOM 0 HA ARG A 65 10.866 8.393 -11.659 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.574 5.902 -10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.988 5.927 -11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.125 7.393 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.750 7.101 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.580 4.966 -9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.619 5.558 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 65 10.487 3.854 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.789 5.557 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.877 4.582 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.369 2.566 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.518 2.902 -6.225 1.00 0.00 H new ATOM 1068 N GLY A 66 7.837 7.797 -12.503 1.00 0.00 N ATOM 1069 CA GLY A 66 6.946 7.662 -13.641 1.00 0.00 C ATOM 1070 C GLY A 66 6.349 6.276 -13.748 1.00 0.00 C ATOM 1071 O GLY A 66 5.869 5.879 -14.810 1.00 0.00 O ATOM 0 H GLY A 66 7.378 8.060 -11.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.143 8.395 -13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.493 7.890 -14.556 1.00 0.00 H new ATOM 1075 N ALA A 67 6.367 5.539 -12.645 1.00 0.00 N ATOM 1076 CA ALA A 67 5.829 4.188 -12.627 1.00 0.00 C ATOM 1077 C ALA A 67 4.320 4.216 -12.432 1.00 0.00 C ATOM 1078 O ALA A 67 3.821 3.975 -11.335 1.00 0.00 O ATOM 1079 CB ALA A 67 6.495 3.359 -11.538 1.00 0.00 C ATOM 0 H ALA A 67 6.748 5.855 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 67 6.042 3.722 -13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.078 2.352 -11.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.568 3.309 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.316 3.822 -10.568 1.00 0.00 H new ATOM 1085 N MET A 68 3.601 4.530 -13.502 1.00 0.00 N ATOM 1086 CA MET A 68 2.147 4.654 -13.456 1.00 0.00 C ATOM 1087 C MET A 68 1.492 3.348 -13.029 1.00 0.00 C ATOM 1088 O MET A 68 0.566 3.343 -12.215 1.00 0.00 O ATOM 1089 CB MET A 68 1.605 5.079 -14.823 1.00 0.00 C ATOM 1090 CG MET A 68 1.965 6.503 -15.232 1.00 0.00 C ATOM 1091 SD MET A 68 0.971 7.763 -14.396 1.00 0.00 S ATOM 1092 CE MET A 68 1.630 7.717 -12.731 1.00 0.00 C ATOM 0 H MET A 68 4.005 4.705 -14.422 1.00 0.00 H new ATOM 0 HA MET A 68 1.904 5.417 -12.717 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.983 4.391 -15.579 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.520 4.980 -14.816 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.019 6.680 -15.016 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.838 6.607 -16.310 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.755 8.735 -12.361 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.941 7.177 -12.082 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.596 7.212 -12.736 1.00 0.00 H new ATOM 1102 N GLU A 69 1.994 2.245 -13.564 1.00 0.00 N ATOM 1103 CA GLU A 69 1.435 0.931 -13.279 1.00 0.00 C ATOM 1104 C GLU A 69 1.585 0.600 -11.802 1.00 0.00 C ATOM 1105 O GLU A 69 0.639 0.157 -11.153 1.00 0.00 O ATOM 1106 CB GLU A 69 2.142 -0.133 -14.112 1.00 0.00 C ATOM 1107 CG GLU A 69 2.134 0.147 -15.602 1.00 0.00 C ATOM 1108 CD GLU A 69 3.109 -0.733 -16.348 1.00 0.00 C ATOM 1109 OE1 GLU A 69 4.309 -0.391 -16.388 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.686 -1.772 -16.887 1.00 0.00 O ATOM 0 H GLU A 69 2.791 2.234 -14.201 1.00 0.00 H new ATOM 0 HA GLU A 69 0.376 0.945 -13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.175 -0.218 -13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.667 -1.097 -13.931 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.130 -0.010 -15.995 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.384 1.194 -15.776 1.00 0.00 H new ATOM 1117 N ARG A 70 2.777 0.840 -11.274 1.00 0.00 N ATOM 1118 CA ARG A 70 3.075 0.500 -9.893 1.00 0.00 C ATOM 1119 C ARG A 70 2.469 1.515 -8.930 1.00 0.00 C ATOM 1120 O ARG A 70 2.171 1.182 -7.789 1.00 0.00 O ATOM 1121 CB ARG A 70 4.585 0.384 -9.678 1.00 0.00 C ATOM 1122 CG ARG A 70 5.212 -0.757 -10.466 1.00 0.00 C ATOM 1123 CD ARG A 70 6.686 -0.927 -10.141 1.00 0.00 C ATOM 1124 NE ARG A 70 7.275 -2.059 -10.864 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.435 -2.631 -10.545 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.146 -2.174 -9.525 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.884 -3.654 -11.257 1.00 0.00 N ATOM 0 H ARG A 70 3.551 1.268 -11.781 1.00 0.00 H new ATOM 0 HA ARG A 70 2.622 -0.469 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.061 1.322 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.785 0.238 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.683 -1.684 -10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.095 -0.569 -11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.223 -0.013 -10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.807 -1.078 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 70 6.763 -2.433 -11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.806 -1.381 -8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.034 -2.615 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.342 -4.002 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.772 -4.093 -11.015 1.00 0.00 H new ATOM 1141 N ALA A 71 2.274 2.745 -9.393 1.00 0.00 N ATOM 1142 CA ALA A 71 1.629 3.769 -8.577 1.00 0.00 C ATOM 1143 C ALA A 71 0.166 3.416 -8.342 1.00 0.00 C ATOM 1144 O ALA A 71 -0.324 3.456 -7.212 1.00 0.00 O ATOM 1145 CB ALA A 71 1.743 5.135 -9.239 1.00 0.00 C ATOM 0 H ALA A 71 2.551 3.057 -10.324 1.00 0.00 H new ATOM 0 HA ALA A 71 2.138 3.810 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.256 5.884 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.795 5.393 -9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.260 5.107 -10.216 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.523 3.052 -9.415 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.922 2.660 -9.322 1.00 0.00 C ATOM 1153 C ASN A 72 -2.059 1.326 -8.602 1.00 0.00 C ATOM 1154 O ASN A 72 -3.050 1.079 -7.913 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.556 2.583 -10.713 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.799 3.954 -11.321 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.082 4.924 -10.613 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.685 4.050 -12.637 1.00 0.00 N ATOM 0 H ASN A 72 -0.136 3.020 -10.358 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.450 3.419 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.907 2.007 -11.373 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.502 2.046 -10.648 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.833 4.948 -13.098 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.450 3.226 -13.190 1.00 0.00 H new ATOM 1165 N LYS A 73 -1.052 0.469 -8.748 1.00 0.00 N ATOM 1166 CA LYS A 73 -1.065 -0.820 -8.078 1.00 0.00 C ATOM 1167 C LYS A 73 -0.768 -0.642 -6.595 1.00 0.00 C ATOM 1168 O LYS A 73 -1.293 -1.381 -5.762 1.00 0.00 O ATOM 1169 CB LYS A 73 -0.070 -1.792 -8.721 1.00 0.00 C ATOM 1170 CG LYS A 73 -0.231 -3.224 -8.229 1.00 0.00 C ATOM 1171 CD LYS A 73 0.492 -4.219 -9.124 1.00 0.00 C ATOM 1172 CE LYS A 73 0.130 -5.647 -8.753 1.00 0.00 C ATOM 1173 NZ LYS A 73 0.618 -6.629 -9.755 1.00 0.00 N ATOM 0 H LYS A 73 -0.226 0.645 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.060 -1.251 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.197 -1.770 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.945 -1.454 -8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.155 -3.304 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.291 -3.476 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.231 -4.033 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.569 -4.078 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.553 -5.885 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.953 -5.733 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.017 -7.478 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.579 -6.205 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.599 -6.893 -9.533 1.00 0.00 H new ATOM 1187 N ALA A 74 0.064 0.346 -6.269 1.00 0.00 N ATOM 1188 CA ALA A 74 0.325 0.691 -4.879 1.00 0.00 C ATOM 1189 C ALA A 74 -0.974 1.084 -4.197 1.00 0.00 C ATOM 1190 O ALA A 74 -1.290 0.586 -3.121 1.00 0.00 O ATOM 1191 CB ALA A 74 1.341 1.822 -4.766 1.00 0.00 C ATOM 0 H ALA A 74 0.566 0.918 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 74 0.747 -0.184 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.512 2.054 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.280 1.515 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.959 2.707 -5.275 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.734 1.960 -4.854 1.00 0.00 N ATOM 1198 CA ARG A 75 -3.045 2.370 -4.361 1.00 0.00 C ATOM 1199 C ARG A 75 -3.935 1.155 -4.115 1.00 0.00 C ATOM 1200 O ARG A 75 -4.508 1.000 -3.033 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.725 3.304 -5.367 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.109 3.755 -4.930 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.815 4.548 -6.017 1.00 0.00 C ATOM 1204 NE ARG A 75 -7.133 5.003 -5.575 1.00 0.00 N ATOM 1205 CZ ARG A 75 -8.072 5.484 -6.389 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.830 5.612 -7.689 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.252 5.847 -5.898 1.00 0.00 N ATOM 0 H ARG A 75 -1.461 2.400 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.899 2.898 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.096 4.181 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.803 2.796 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.709 2.884 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.025 4.366 -4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.206 5.408 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.922 3.931 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.347 4.949 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.922 5.342 -8.068 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.552 5.981 -8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.438 5.757 -4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.972 6.215 -6.520 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.041 0.297 -5.125 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.875 -0.896 -5.033 1.00 0.00 C ATOM 1223 C ARG A 76 -4.437 -1.809 -3.896 1.00 0.00 C ATOM 1224 O ARG A 76 -5.241 -2.170 -3.037 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.856 -1.692 -6.338 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.792 -1.161 -7.405 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.074 -2.223 -8.457 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.622 -3.449 -7.862 1.00 0.00 N ATOM 1229 CZ ARG A 76 -7.254 -4.403 -8.548 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -7.462 -4.261 -9.853 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.683 -5.497 -7.928 1.00 0.00 N ATOM 0 H ARG A 76 -3.559 0.406 -6.017 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.888 -0.545 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.840 -1.697 -6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.119 -2.727 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.727 -0.840 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.351 -0.283 -7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.777 -1.830 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.154 -2.458 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.512 -3.580 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.138 -3.421 -10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.945 -4.992 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.529 -5.609 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.166 -6.225 -8.454 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.164 -2.174 -3.890 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.667 -3.170 -2.952 1.00 0.00 C ATOM 1247 C ARG A 77 -2.603 -2.629 -1.530 1.00 0.00 C ATOM 1248 O ARG A 77 -2.817 -3.374 -0.580 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.311 -3.714 -3.403 1.00 0.00 C ATOM 1250 CG ARG A 77 -1.379 -4.427 -4.745 1.00 0.00 C ATOM 1251 CD ARG A 77 -2.400 -5.557 -4.726 1.00 0.00 C ATOM 1252 NE ARG A 77 -2.810 -5.947 -6.074 1.00 0.00 N ATOM 1253 CZ ARG A 77 -3.687 -6.918 -6.340 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -4.207 -7.647 -5.358 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -4.048 -7.155 -7.594 1.00 0.00 N ATOM 0 H ARG A 77 -2.458 -1.797 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.377 -3.997 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.599 -2.892 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.932 -4.404 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.641 -3.712 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.397 -4.827 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.976 -6.420 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.276 -5.245 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.400 -5.445 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.937 -7.467 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.876 -8.387 -5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.656 -6.596 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.718 -7.896 -7.801 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.333 -1.337 -1.373 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.421 -0.723 -0.056 1.00 0.00 C ATOM 1271 C CYS A 78 -3.861 -0.784 0.430 1.00 0.00 C ATOM 1272 O CYS A 78 -4.127 -1.174 1.566 1.00 0.00 O ATOM 1273 CB CYS A 78 -1.930 0.726 -0.071 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.170 0.906 -0.434 1.00 0.00 S ATOM 0 H CYS A 78 -2.057 -0.707 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.775 -1.278 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.502 1.284 -0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.138 1.179 0.899 1.00 0.00 H new ATOM 0 HG CYS A 78 0.008 0.921 -1.722 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.791 -0.420 -0.450 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.200 -0.528 -0.132 1.00 0.00 C ATOM 1282 C GLY A 79 -6.605 -1.959 0.155 1.00 0.00 C ATOM 1283 O GLY A 79 -7.551 -2.204 0.898 1.00 0.00 O ATOM 0 H GLY A 79 -4.590 -0.051 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.426 0.094 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.791 -0.143 -0.963 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.883 -2.905 -0.436 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.127 -4.319 -0.199 1.00 0.00 C ATOM 1289 C GLU A 80 -5.625 -4.716 1.184 1.00 0.00 C ATOM 1290 O GLU A 80 -6.257 -5.513 1.873 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.465 -5.162 -1.292 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.717 -6.655 -1.156 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.381 -7.415 -2.420 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -4.198 -7.765 -2.625 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -6.301 -7.658 -3.226 1.00 0.00 O ATOM 0 H GLU A 80 -5.120 -2.714 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.200 -4.505 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.829 -4.829 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.390 -4.982 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.123 -7.047 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.764 -6.822 -0.902 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.495 -4.143 1.591 1.00 0.00 N ATOM 1303 CA VAL A 81 -3.994 -4.322 2.948 1.00 0.00 C ATOM 1304 C VAL A 81 -5.006 -3.759 3.946 1.00 0.00 C ATOM 1305 O VAL A 81 -5.335 -4.401 4.946 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.624 -3.631 3.149 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.145 -3.771 4.585 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.589 -4.204 2.195 1.00 0.00 C ATOM 0 H VAL A 81 -3.911 -3.552 1.000 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.857 -5.390 3.117 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.752 -2.570 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.180 -3.276 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.869 -3.310 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.042 -4.827 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.633 -3.705 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.475 -5.272 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.915 -4.047 1.167 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.510 -2.562 3.651 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.571 -1.959 4.451 1.00 0.00 C ATOM 1320 C PHE A 82 -7.797 -2.869 4.482 1.00 0.00 C ATOM 1321 O PHE A 82 -8.331 -3.167 5.547 1.00 0.00 O ATOM 1322 CB PHE A 82 -6.970 -0.586 3.896 1.00 0.00 C ATOM 1323 CG PHE A 82 -5.975 0.513 4.167 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.852 1.055 5.434 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.174 1.011 3.154 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.947 2.070 5.687 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.266 2.024 3.400 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.152 2.553 4.668 1.00 0.00 C ATOM 0 H PHE A 82 -5.200 -1.992 2.864 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.189 -1.829 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.113 -0.672 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.931 -0.301 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.471 0.681 6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.260 0.603 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.863 2.484 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.646 2.401 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.442 3.343 4.863 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.224 -3.312 3.301 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.378 -4.200 3.167 1.00 0.00 C ATOM 1340 C ARG A 83 -9.177 -5.492 3.955 1.00 0.00 C ATOM 1341 O ARG A 83 -10.099 -5.971 4.615 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.649 -4.493 1.681 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.456 -5.760 1.428 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.004 -5.815 0.007 1.00 0.00 C ATOM 1345 NE ARG A 83 -10.015 -5.425 -1.004 1.00 0.00 N ATOM 1346 CZ ARG A 83 -9.919 -5.985 -2.212 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -10.634 -7.065 -2.513 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -9.086 -5.479 -3.112 1.00 0.00 N ATOM 0 H ARG A 83 -7.783 -3.067 2.414 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.250 -3.697 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.180 -3.646 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.696 -4.573 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.827 -6.632 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.282 -5.811 2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.351 -6.826 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.871 -5.158 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.360 -4.679 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.261 -7.471 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.555 -7.487 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.520 -4.663 -2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.012 -5.906 -4.035 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.971 -6.040 3.902 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.647 -7.259 4.633 1.00 0.00 C ATOM 1364 C TYR A 84 -7.812 -7.032 6.135 1.00 0.00 C ATOM 1365 O TYR A 84 -8.329 -7.889 6.856 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.217 -7.706 4.314 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.862 -9.072 4.858 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.298 -10.228 4.220 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.091 -9.208 6.006 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.976 -11.479 4.710 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.765 -10.456 6.502 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.208 -11.587 5.851 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.882 -12.832 6.344 1.00 0.00 O ATOM 0 H TYR A 84 -7.197 -5.658 3.358 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.333 -8.047 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.082 -7.711 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.520 -6.973 4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.899 -10.147 3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.741 -8.324 6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.323 -12.367 4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.166 -10.545 7.396 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.336 -12.731 7.152 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.389 -5.860 6.593 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.515 -5.495 7.996 1.00 0.00 C ATOM 1385 C ALA A 85 -8.973 -5.222 8.360 1.00 0.00 C ATOM 1386 O ALA A 85 -9.386 -5.422 9.504 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.647 -4.288 8.307 1.00 0.00 C ATOM 0 H ALA A 85 -6.954 -5.145 6.010 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.171 -6.334 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.751 -4.026 9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.605 -4.525 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.961 -3.445 7.691 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.748 -4.758 7.388 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.182 -4.573 7.578 1.00 0.00 C ATOM 1395 C ILE A 86 -11.863 -5.928 7.758 1.00 0.00 C ATOM 1396 O ILE A 86 -12.716 -6.099 8.630 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.825 -3.825 6.384 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.242 -2.415 6.261 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.339 -3.762 6.538 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.763 -1.644 5.065 1.00 0.00 C ATOM 0 H ILE A 86 -9.409 -4.503 6.461 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.322 -3.966 8.473 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.597 -4.377 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.469 -1.857 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.156 -2.485 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.769 -3.232 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.743 -4.774 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.589 -3.235 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.306 -0.655 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.513 -2.180 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.846 -1.542 5.141 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.465 -6.890 6.933 1.00 0.00 N ATOM 1413 CA VAL A 87 -12.013 -8.241 6.999 1.00 0.00 C ATOM 1414 C VAL A 87 -11.680 -8.903 8.332 1.00 0.00 C ATOM 1415 O VAL A 87 -12.533 -9.539 8.947 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.490 -9.120 5.842 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.029 -10.541 5.950 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.861 -8.507 4.501 1.00 0.00 C ATOM 0 H VAL A 87 -10.761 -6.759 6.207 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.095 -8.151 6.907 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.403 -9.166 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.646 -11.139 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.709 -10.981 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.118 -10.521 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.485 -9.138 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.945 -8.428 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.419 -7.514 4.420 1.00 0.00 H new ATOM 1428 N THR A 88 -10.443 -8.736 8.781 1.00 0.00 N ATOM 1429 CA THR A 88 -10.011 -9.322 10.041 1.00 0.00 C ATOM 1430 C THR A 88 -10.624 -8.559 11.226 1.00 0.00 C ATOM 1431 O THR A 88 -10.624 -9.040 12.361 1.00 0.00 O ATOM 1432 CB THR A 88 -8.465 -9.355 10.145 1.00 0.00 C ATOM 1433 OG1 THR A 88 -8.052 -10.315 11.121 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.898 -7.994 10.515 1.00 0.00 C ATOM 0 H THR A 88 -9.724 -8.202 8.293 1.00 0.00 H new ATOM 0 HA THR A 88 -10.365 -10.352 10.074 1.00 0.00 H new ATOM 0 HB THR A 88 -8.082 -9.635 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.655 -10.277 11.893 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.812 -8.057 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.175 -7.265 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.300 -7.682 11.479 1.00 0.00 H new ATOM 1442 N GLY A 89 -11.160 -7.373 10.945 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.864 -6.610 11.962 1.00 0.00 C ATOM 1444 C GLY A 89 -10.950 -5.738 12.800 1.00 0.00 C ATOM 1445 O GLY A 89 -11.255 -5.445 13.957 1.00 0.00 O ATOM 0 H GLY A 89 -11.119 -6.926 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.613 -5.981 11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.399 -7.298 12.617 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.830 -5.319 12.229 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.895 -4.459 12.942 1.00 0.00 C ATOM 1451 C ARG A 90 -8.690 -3.141 12.207 1.00 0.00 C ATOM 1452 O ARG A 90 -7.830 -2.341 12.569 1.00 0.00 O ATOM 1453 CB ARG A 90 -7.564 -5.176 13.176 1.00 0.00 C ATOM 1454 CG ARG A 90 -7.655 -6.228 14.270 1.00 0.00 C ATOM 1455 CD ARG A 90 -6.313 -6.877 14.562 1.00 0.00 C ATOM 1456 NE ARG A 90 -6.373 -7.716 15.760 1.00 0.00 N ATOM 1457 CZ ARG A 90 -5.706 -8.861 15.912 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -4.936 -9.328 14.936 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -5.812 -9.547 17.042 1.00 0.00 N ATOM 0 H ARG A 90 -9.547 -5.559 11.279 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.326 -4.229 13.916 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.241 -5.648 12.248 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.802 -4.444 13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.039 -5.769 15.181 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.370 -6.996 13.974 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.006 -7.481 13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.555 -6.105 14.695 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.965 -7.404 16.530 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.851 -8.810 14.061 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.430 -10.205 15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.404 -9.199 17.796 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.301 -10.422 17.157 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.486 -2.924 11.173 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.545 -1.637 10.501 1.00 0.00 C ATOM 1475 C ALA A 91 -10.988 -1.324 10.145 1.00 0.00 C ATOM 1476 O ALA A 91 -11.715 -2.193 9.667 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.666 -1.624 9.261 1.00 0.00 C ATOM 0 H ALA A 91 -10.106 -3.631 10.778 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.166 -0.868 11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.731 -0.648 8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.632 -1.820 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.004 -2.394 8.567 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.410 -0.096 10.405 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.800 0.287 10.197 1.00 0.00 C ATOM 1485 C LYS A 92 -13.017 0.848 8.799 1.00 0.00 C ATOM 1486 O LYS A 92 -13.958 0.459 8.104 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.228 1.309 11.248 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.162 0.773 12.667 1.00 0.00 C ATOM 1489 CD LYS A 92 -13.646 1.799 13.672 1.00 0.00 C ATOM 1490 CE LYS A 92 -13.663 1.228 15.076 1.00 0.00 C ATOM 1491 NZ LYS A 92 -14.204 2.196 16.066 1.00 0.00 N ATOM 0 H LYS A 92 -10.813 0.651 10.759 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.414 -0.608 10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.591 2.190 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.247 1.633 11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.769 -0.129 12.745 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.137 0.488 12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -12.998 2.675 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.647 2.133 13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.266 0.320 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.651 0.943 15.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.198 1.765 17.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.614 3.053 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.179 2.449 15.807 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.146 1.753 8.385 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.268 2.369 7.076 1.00 0.00 C ATOM 1507 C TYR A 93 -10.898 2.491 6.430 1.00 0.00 C ATOM 1508 O TYR A 93 -9.873 2.394 7.107 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.929 3.752 7.183 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.009 4.852 7.678 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -11.631 4.936 9.013 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.521 5.813 6.798 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -10.795 5.945 9.455 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -10.686 6.822 7.232 1.00 0.00 C ATOM 1515 CZ TYR A 93 -10.324 6.885 8.559 1.00 0.00 C ATOM 1516 OH TYR A 93 -9.491 7.891 8.993 1.00 0.00 O ATOM 0 H TYR A 93 -11.350 2.076 8.935 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.901 1.736 6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.316 4.033 6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.784 3.681 7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.996 4.202 9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.801 5.768 5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.512 5.998 10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.318 7.559 6.534 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.251 8.466 8.237 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.885 2.697 5.126 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.645 2.890 4.400 1.00 0.00 C ATOM 1528 C ASN A 94 -9.640 4.261 3.736 1.00 0.00 C ATOM 1529 O ASN A 94 -10.637 4.679 3.151 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.438 1.777 3.359 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.516 1.719 2.287 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.673 2.076 2.517 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.140 1.254 1.107 1.00 0.00 N ATOM 0 H ASN A 94 -11.724 2.735 4.547 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.817 2.840 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.470 1.920 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.400 0.816 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.818 1.181 0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.172 0.969 0.956 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.519 4.989 3.825 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.403 6.343 3.266 1.00 0.00 C ATOM 1542 C PRO A 95 -8.245 6.352 1.744 1.00 0.00 C ATOM 1543 O PRO A 95 -7.595 7.232 1.185 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.146 6.885 3.942 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.315 5.682 4.221 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.279 4.561 4.499 1.00 0.00 C ATOM 0 HA PRO A 95 -9.300 6.936 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.620 7.587 3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.390 7.419 4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.676 5.444 3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.659 5.852 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.915 3.613 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.433 4.422 5.569 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.868 5.388 1.079 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.810 5.292 -0.376 1.00 0.00 C ATOM 1556 C ALA A 96 -9.524 6.469 -1.056 1.00 0.00 C ATOM 1557 O ALA A 96 -8.995 7.029 -2.019 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.379 3.963 -0.851 1.00 0.00 C ATOM 0 H ALA A 96 -9.422 4.657 1.526 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.760 5.341 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.326 3.912 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.801 3.145 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.418 3.878 -0.534 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.738 6.865 -0.597 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.421 8.053 -1.124 1.00 0.00 C ATOM 1566 C PRO A 97 -10.583 9.320 -0.959 1.00 0.00 C ATOM 1567 O PRO A 97 -10.481 10.128 -1.880 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.705 8.150 -0.292 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.468 7.285 0.895 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.563 6.189 0.423 1.00 0.00 C ATOM 0 HA PRO A 97 -11.608 7.965 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.905 9.180 0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.570 7.809 -0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.009 7.850 1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.405 6.881 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.955 5.788 1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.124 5.354 0.002 1.00 0.00 H new ATOM 1578 N ASP A 98 -9.974 9.478 0.212 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.125 10.637 0.483 1.00 0.00 C ATOM 1580 C ASP A 98 -7.836 10.572 -0.321 1.00 0.00 C ATOM 1581 O ASP A 98 -7.287 11.601 -0.702 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.812 10.751 1.974 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.868 11.534 2.723 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -9.850 12.783 2.650 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.723 10.911 3.388 1.00 0.00 O ATOM 0 H ASP A 98 -10.051 8.821 0.988 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.676 11.526 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.730 9.752 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.844 11.234 2.104 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.353 9.359 -0.565 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.210 9.148 -1.444 1.00 0.00 C ATOM 1592 C LEU A 99 -6.525 9.719 -2.822 1.00 0.00 C ATOM 1593 O LEU A 99 -5.751 10.497 -3.381 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.887 7.642 -1.531 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.657 7.241 -2.366 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -4.972 7.223 -3.855 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.496 8.174 -2.088 1.00 0.00 C ATOM 0 H LEU A 99 -7.738 8.504 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.335 9.660 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.746 7.266 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.758 7.131 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.377 6.230 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.080 6.936 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.769 6.505 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.293 8.216 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.637 7.874 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.780 9.194 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.235 8.126 -1.031 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.677 9.332 -3.352 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.118 9.811 -4.650 1.00 0.00 C ATOM 1611 C ALA A 100 -8.345 11.315 -4.620 1.00 0.00 C ATOM 1612 O ALA A 100 -7.951 12.027 -5.537 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.390 9.092 -5.072 1.00 0.00 C ATOM 0 H ALA A 100 -8.323 8.685 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.336 9.598 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.710 9.460 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.199 8.021 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.174 9.279 -4.338 1.00 0.00 H new ATOM 1619 N ASP A 101 -8.963 11.791 -3.548 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.276 13.209 -3.409 1.00 0.00 C ATOM 1621 C ASP A 101 -8.003 14.040 -3.329 1.00 0.00 C ATOM 1622 O ASP A 101 -7.919 15.119 -3.912 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.133 13.456 -2.168 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.766 14.829 -2.180 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -10.136 15.793 -1.690 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -11.901 14.949 -2.686 1.00 0.00 O ATOM 0 H ASP A 101 -9.259 11.216 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.838 13.513 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.914 12.698 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.517 13.349 -1.275 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.015 13.530 -2.609 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.727 14.201 -2.490 1.00 0.00 C ATOM 1633 C ALA A 102 -5.020 14.237 -3.838 1.00 0.00 C ATOM 1634 O ALA A 102 -4.376 15.219 -4.185 1.00 0.00 O ATOM 1635 CB ALA A 102 -4.857 13.511 -1.451 1.00 0.00 C ATOM 0 H ALA A 102 -7.080 12.651 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.903 15.226 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.900 14.027 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.358 13.535 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.689 12.475 -1.747 1.00 0.00 H new ATOM 1641 N MET A 103 -5.165 13.164 -4.598 1.00 0.00 N ATOM 1642 CA MET A 103 -4.588 13.079 -5.933 1.00 0.00 C ATOM 1643 C MET A 103 -5.221 14.126 -6.856 1.00 0.00 C ATOM 1644 O MET A 103 -4.544 14.741 -7.681 1.00 0.00 O ATOM 1645 CB MET A 103 -4.802 11.669 -6.498 1.00 0.00 C ATOM 1646 CG MET A 103 -4.042 11.381 -7.784 1.00 0.00 C ATOM 1647 SD MET A 103 -4.532 9.815 -8.537 1.00 0.00 S ATOM 1648 CE MET A 103 -4.039 8.658 -7.262 1.00 0.00 C ATOM 0 H MET A 103 -5.682 12.332 -4.312 1.00 0.00 H new ATOM 0 HA MET A 103 -3.518 13.279 -5.872 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.504 10.940 -5.744 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.867 11.522 -6.680 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.213 12.191 -8.493 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.973 11.361 -7.574 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.537 7.805 -7.719 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.358 9.150 -6.568 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.921 8.314 -6.722 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.524 14.337 -6.690 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.259 15.321 -7.487 1.00 0.00 C ATOM 1660 C LYS A 104 -7.022 16.734 -6.958 1.00 0.00 C ATOM 1661 O LYS A 104 -7.121 17.714 -7.697 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.761 15.037 -7.444 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.137 13.610 -7.789 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.600 13.347 -7.480 1.00 0.00 C ATOM 1665 CE LYS A 104 -10.920 11.864 -7.501 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.332 11.608 -7.119 1.00 0.00 N ATOM 0 H LYS A 104 -7.096 13.839 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.896 15.246 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.134 15.267 -6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.266 15.711 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.945 13.424 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.512 12.918 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.845 13.758 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.225 13.864 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.733 11.464 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.255 11.337 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.518 10.585 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.503 11.968 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.966 12.091 -7.787 1.00 0.00 H new ATOM 1680 N GLY A 105 -6.726 16.831 -5.672 1.00 0.00 N ATOM 1681 CA GLY A 105 -6.597 18.124 -5.037 1.00 0.00 C ATOM 1682 C GLY A 105 -5.171 18.626 -5.003 1.00 0.00 C ATOM 1683 O GLY A 105 -4.936 19.812 -4.784 1.00 0.00 O ATOM 0 H GLY A 105 -6.572 16.034 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.218 18.846 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.979 18.062 -4.018 1.00 0.00 H new ATOM 1687 N TYR A 106 -4.215 17.739 -5.228 1.00 0.00 N ATOM 1688 CA TYR A 106 -2.814 18.131 -5.188 1.00 0.00 C ATOM 1689 C TYR A 106 -2.474 18.998 -6.394 1.00 0.00 C ATOM 1690 O TYR A 106 -1.517 19.768 -6.366 1.00 0.00 O ATOM 1691 CB TYR A 106 -1.892 16.911 -5.129 1.00 0.00 C ATOM 1692 CG TYR A 106 -0.541 17.231 -4.527 1.00 0.00 C ATOM 1693 CD1 TYR A 106 -0.365 17.224 -3.150 1.00 0.00 C ATOM 1694 CD2 TYR A 106 0.542 17.565 -5.327 1.00 0.00 C ATOM 1695 CE1 TYR A 106 0.855 17.545 -2.585 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.768 17.880 -4.771 1.00 0.00 C ATOM 1697 CZ TYR A 106 1.919 17.871 -3.399 1.00 0.00 C ATOM 1698 OH TYR A 106 3.133 18.202 -2.839 1.00 0.00 O ATOM 0 H TYR A 106 -4.379 16.754 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.654 18.711 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.370 16.127 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.753 16.516 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.195 16.964 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.426 17.579 -6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.974 17.540 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.604 18.132 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 106 3.240 17.730 -1.987 1.00 0.00 H new ATOM 1708 N ARG A 107 -3.272 18.885 -7.450 1.00 0.00 N ATOM 1709 CA ARG A 107 -3.092 19.733 -8.620 1.00 0.00 C ATOM 1710 C ARG A 107 -3.708 21.109 -8.368 1.00 0.00 C ATOM 1711 O ARG A 107 -3.412 22.075 -9.073 1.00 0.00 O ATOM 1712 CB ARG A 107 -3.687 19.082 -9.875 1.00 0.00 C ATOM 1713 CG ARG A 107 -5.187 18.854 -9.815 1.00 0.00 C ATOM 1714 CD ARG A 107 -5.665 18.029 -10.998 1.00 0.00 C ATOM 1715 NE ARG A 107 -7.113 17.829 -10.985 1.00 0.00 N ATOM 1716 CZ ARG A 107 -7.697 16.633 -11.046 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -6.958 15.531 -11.071 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -9.022 16.541 -11.082 1.00 0.00 N ATOM 0 H ARG A 107 -4.043 18.221 -7.519 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.023 19.857 -8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.462 19.711 -10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.193 18.125 -10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.443 18.345 -8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.703 19.814 -9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.377 18.526 -11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.166 17.060 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.711 18.653 -10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.941 15.598 -11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.407 14.617 -11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.593 17.386 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.469 15.625 -11.129 1.00 0.00 H new ATOM 1732 N LYS A 108 -4.563 21.192 -7.350 1.00 0.00 N ATOM 1733 CA LYS A 108 -5.079 22.474 -6.882 1.00 0.00 C ATOM 1734 C LYS A 108 -4.021 23.127 -6.012 1.00 0.00 C ATOM 1735 O LYS A 108 -3.810 24.339 -6.063 1.00 0.00 O ATOM 1736 CB LYS A 108 -6.339 22.303 -6.027 1.00 0.00 C ATOM 1737 CG LYS A 108 -7.461 21.500 -6.660 1.00 0.00 C ATOM 1738 CD LYS A 108 -8.553 21.235 -5.632 1.00 0.00 C ATOM 1739 CE LYS A 108 -9.697 20.411 -6.196 1.00 0.00 C ATOM 1740 NZ LYS A 108 -10.709 20.097 -5.151 1.00 0.00 N ATOM 0 H LYS A 108 -4.912 20.385 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.325 23.077 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.057 21.823 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.722 23.292 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.874 22.043 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.073 20.556 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.123 20.715 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.941 22.186 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.172 20.956 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.307 19.484 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.477 19.533 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.260 19.556 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -11.098 20.982 -4.768 1.00 0.00 H new ATOM 1754 N LYS A 109 -3.362 22.275 -5.228 1.00 0.00 N ATOM 1755 CA LYS A 109 -2.388 22.688 -4.225 1.00 0.00 C ATOM 1756 C LYS A 109 -3.054 23.500 -3.127 1.00 0.00 C ATOM 1757 O LYS A 109 -2.995 24.731 -3.113 1.00 0.00 O ATOM 1758 CB LYS A 109 -1.213 23.455 -4.838 1.00 0.00 C ATOM 1759 CG LYS A 109 -0.325 22.591 -5.716 1.00 0.00 C ATOM 1760 CD LYS A 109 0.989 23.280 -6.035 1.00 0.00 C ATOM 1761 CE LYS A 109 1.918 22.358 -6.806 1.00 0.00 C ATOM 1762 NZ LYS A 109 3.282 22.930 -6.942 1.00 0.00 N ATOM 0 H LYS A 109 -3.493 21.265 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.978 21.780 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.599 24.286 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.612 23.886 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.127 21.644 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.848 22.357 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.798 24.180 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.471 23.596 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.977 21.396 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.503 22.171 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.884 22.270 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.229 23.836 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.689 23.085 -5.998 1.00 0.00 H new ATOM 1776 N ASN A 110 -3.727 22.796 -2.228 1.00 0.00 N ATOM 1777 CA ASN A 110 -4.335 23.422 -1.066 1.00 0.00 C ATOM 1778 C ASN A 110 -3.240 23.832 -0.101 1.00 0.00 C ATOM 1779 O ASN A 110 -3.184 24.982 0.335 1.00 0.00 O ATOM 1780 CB ASN A 110 -5.316 22.464 -0.377 1.00 0.00 C ATOM 1781 CG ASN A 110 -6.497 22.098 -1.258 1.00 0.00 C ATOM 1782 OD1 ASN A 110 -6.427 21.156 -2.051 1.00 0.00 O ATOM 1783 ND2 ASN A 110 -7.595 22.818 -1.110 1.00 0.00 N ATOM 0 H ASN A 110 -3.865 21.787 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 110 -4.896 24.300 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.788 21.555 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.682 22.924 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -8.425 22.602 -1.663 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.613 23.590 -0.443 1.00 0.00 H new ATOM 1790 N LEU A 111 -2.358 22.874 0.200 1.00 0.00 N ATOM 1791 CA LEU A 111 -1.174 23.121 1.021 1.00 0.00 C ATOM 1792 C LEU A 111 -1.559 23.738 2.362 1.00 0.00 C ATOM 1793 O LEU A 111 -0.924 24.676 2.836 1.00 0.00 O ATOM 1794 CB LEU A 111 -0.199 24.035 0.270 1.00 0.00 C ATOM 1795 CG LEU A 111 0.203 23.545 -1.124 1.00 0.00 C ATOM 1796 CD1 LEU A 111 1.133 24.546 -1.793 1.00 0.00 C ATOM 1797 CD2 LEU A 111 0.860 22.174 -1.044 1.00 0.00 C ATOM 0 H LEU A 111 -2.446 21.909 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.685 22.167 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.650 25.023 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.702 24.152 0.872 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.699 23.455 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.409 24.182 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.626 25.506 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.032 24.668 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.138 21.845 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.752 22.234 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.161 21.460 -0.608 1.00 0.00 H new ATOM 1809 N GLU A 112 -2.580 23.167 2.984 1.00 0.00 N ATOM 1810 CA GLU A 112 -3.142 23.704 4.218 1.00 0.00 C ATOM 1811 C GLU A 112 -2.204 23.467 5.400 1.00 0.00 C ATOM 1812 O GLU A 112 -2.380 24.040 6.475 1.00 0.00 O ATOM 1813 CB GLU A 112 -4.501 23.065 4.479 1.00 0.00 C ATOM 1814 CG GLU A 112 -5.412 23.105 3.266 1.00 0.00 C ATOM 1815 CD GLU A 112 -6.733 22.411 3.501 1.00 0.00 C ATOM 1816 OE1 GLU A 112 -6.742 21.167 3.605 1.00 0.00 O ATOM 1817 OE2 GLU A 112 -7.765 23.111 3.579 1.00 0.00 O ATOM 0 H GLU A 112 -3.042 22.321 2.650 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.265 24.781 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.357 22.029 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.986 23.579 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.597 24.143 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.906 22.636 2.422 1.00 0.00 H new ATOM 1824 N HIS A 113 -1.205 22.617 5.189 1.00 0.00 N ATOM 1825 CA HIS A 113 -0.176 22.377 6.194 1.00 0.00 C ATOM 1826 C HIS A 113 0.910 23.449 6.110 1.00 0.00 C ATOM 1827 O HIS A 113 1.926 23.377 6.798 1.00 0.00 O ATOM 1828 CB HIS A 113 0.434 20.980 6.028 1.00 0.00 C ATOM 1829 CG HIS A 113 -0.434 19.874 6.559 1.00 0.00 C ATOM 1830 ND1 HIS A 113 0.069 18.678 7.023 1.00 0.00 N ATOM 1831 CD2 HIS A 113 -1.778 19.792 6.704 1.00 0.00 C ATOM 1832 CE1 HIS A 113 -0.927 17.913 7.433 1.00 0.00 C ATOM 1833 NE2 HIS A 113 -2.059 18.565 7.250 1.00 0.00 N ATOM 0 H HIS A 113 -1.086 22.082 4.329 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.641 22.429 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 113 0.628 20.801 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.397 20.951 6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -2.497 20.553 6.439 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -0.831 16.921 7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.990 18.215 7.477 1.00 0.00 H new ATOM 1842 N HIS A 114 0.688 24.428 5.241 1.00 0.00 N ATOM 1843 CA HIS A 114 1.561 25.590 5.130 1.00 0.00 C ATOM 1844 C HIS A 114 0.734 26.839 4.881 1.00 0.00 C ATOM 1845 O HIS A 114 0.184 27.020 3.797 1.00 0.00 O ATOM 1846 CB HIS A 114 2.580 25.415 4.001 1.00 0.00 C ATOM 1847 CG HIS A 114 3.767 24.591 4.382 1.00 0.00 C ATOM 1848 ND1 HIS A 114 4.081 23.390 3.782 1.00 0.00 N ATOM 1849 CD2 HIS A 114 4.728 24.808 5.308 1.00 0.00 C ATOM 1850 CE1 HIS A 114 5.182 22.907 4.326 1.00 0.00 C ATOM 1851 NE2 HIS A 114 5.593 23.748 5.253 1.00 0.00 N ATOM 0 H HIS A 114 -0.101 24.439 4.595 1.00 0.00 H new ATOM 0 HA HIS A 114 2.105 25.691 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 114 2.086 24.951 3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 114 2.921 26.398 3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 114 4.800 25.659 5.969 1.00 0.00 H new ATOM 0 HE1 HIS A 114 5.665 21.979 4.057 1.00 0.00 H new ATOM 0 HE2 HIS A 114 6.422 23.629 5.836 1.00 0.00 H new ATOM 1860 N HIS A 115 0.640 27.698 5.881 1.00 0.00 N ATOM 1861 CA HIS A 115 -0.150 28.912 5.756 1.00 0.00 C ATOM 1862 C HIS A 115 0.574 29.917 4.880 1.00 0.00 C ATOM 1863 O HIS A 115 1.572 30.513 5.284 1.00 0.00 O ATOM 1864 CB HIS A 115 -0.461 29.509 7.129 1.00 0.00 C ATOM 1865 CG HIS A 115 -1.389 28.658 7.934 1.00 0.00 C ATOM 1866 ND1 HIS A 115 -2.754 28.836 7.946 1.00 0.00 N ATOM 1867 CD2 HIS A 115 -1.145 27.598 8.736 1.00 0.00 C ATOM 1868 CE1 HIS A 115 -3.306 27.924 8.720 1.00 0.00 C ATOM 1869 NE2 HIS A 115 -2.354 27.155 9.212 1.00 0.00 N ATOM 0 H HIS A 115 1.098 27.579 6.785 1.00 0.00 H new ATOM 0 HA HIS A 115 -1.099 28.659 5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.470 29.645 7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -0.902 30.497 6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -0.176 27.177 8.961 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -4.363 27.823 8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -2.493 26.364 9.841 1.00 0.00 H new ATOM 1878 N HIS A 116 0.063 30.098 3.676 1.00 0.00 N ATOM 1879 CA HIS A 116 0.741 30.896 2.674 1.00 0.00 C ATOM 1880 C HIS A 116 0.327 32.355 2.779 1.00 0.00 C ATOM 1881 O HIS A 116 -0.860 32.671 2.860 1.00 0.00 O ATOM 1882 CB HIS A 116 0.429 30.364 1.278 1.00 0.00 C ATOM 1883 CG HIS A 116 1.619 30.348 0.372 1.00 0.00 C ATOM 1884 ND1 HIS A 116 2.346 29.207 0.120 1.00 0.00 N ATOM 1885 CD2 HIS A 116 2.213 31.334 -0.340 1.00 0.00 C ATOM 1886 CE1 HIS A 116 3.333 29.488 -0.703 1.00 0.00 C ATOM 1887 NE2 HIS A 116 3.277 30.771 -1.000 1.00 0.00 N ATOM 0 H HIS A 116 -0.824 29.700 3.368 1.00 0.00 H new ATOM 0 HA HIS A 116 1.815 30.827 2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 116 0.032 29.353 1.363 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -0.353 30.977 0.829 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.907 32.369 -0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 116 4.066 28.786 -1.073 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.920 31.265 -1.619 1.00 0.00 H new ATOM 1896 N HIS A 117 1.314 33.233 2.797 1.00 0.00 N ATOM 1897 CA HIS A 117 1.077 34.667 2.858 1.00 0.00 C ATOM 1898 C HIS A 117 1.928 35.377 1.821 1.00 0.00 C ATOM 1899 O HIS A 117 2.928 34.832 1.355 1.00 0.00 O ATOM 1900 CB HIS A 117 1.401 35.219 4.252 1.00 0.00 C ATOM 1901 CG HIS A 117 0.441 34.787 5.315 1.00 0.00 C ATOM 1902 ND1 HIS A 117 -0.463 35.644 5.903 1.00 0.00 N ATOM 1903 CD2 HIS A 117 0.245 33.582 5.900 1.00 0.00 C ATOM 1904 CE1 HIS A 117 -1.172 34.988 6.796 1.00 0.00 C ATOM 1905 NE2 HIS A 117 -0.764 33.735 6.815 1.00 0.00 N ATOM 0 H HIS A 117 2.300 32.975 2.770 1.00 0.00 H new ATOM 0 HA HIS A 117 0.022 34.845 2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.405 34.902 4.533 1.00 0.00 H new ATOM 0 HB3 HIS A 117 1.412 36.308 4.207 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.783 32.670 5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.956 35.406 7.410 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.138 32.999 7.413 1.00 0.00 H new ATOM 1914 N HIS A 118 1.527 36.581 1.453 1.00 0.00 N ATOM 1915 CA HIS A 118 2.313 37.396 0.539 1.00 0.00 C ATOM 1916 C HIS A 118 2.976 38.525 1.309 1.00 0.00 C ATOM 1917 O HIS A 118 4.154 38.375 1.686 1.00 0.00 O ATOM 1918 CB HIS A 118 1.444 37.963 -0.591 1.00 0.00 C ATOM 1919 CG HIS A 118 0.913 36.922 -1.529 1.00 0.00 C ATOM 1920 ND1 HIS A 118 -0.288 37.049 -2.197 1.00 0.00 N ATOM 1921 CD2 HIS A 118 1.432 35.732 -1.920 1.00 0.00 C ATOM 1922 CE1 HIS A 118 -0.484 35.982 -2.951 1.00 0.00 C ATOM 1923 NE2 HIS A 118 0.545 35.171 -2.802 1.00 0.00 N ATOM 1924 OXT HIS A 118 2.298 39.535 1.583 1.00 0.00 O ATOM 0 H HIS A 118 0.662 37.017 1.772 1.00 0.00 H new ATOM 0 HA HIS A 118 3.077 36.766 0.085 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.606 38.506 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.030 38.685 -1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.370 35.305 -1.597 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.342 35.804 -3.583 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.662 34.271 -3.268 1.00 0.00 H new TER 1933 HIS A 118