USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1012 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 39 HIS : no HE2:sc= -8.14! C(o=-12!,f=-16!) USER MOD Set 1.2: A 120 CYS SG : rot 102:sc= -2.33 USER MOD Set 1.3: A 122 CYS SG : rot -97:sc= -0.283 USER MOD Set 1.4: A 127 CYS SG : rot 117:sc= -0.885 USER MOD Set 2.1: A 8 SER OG : rot 123:sc= 0.163 USER MOD Set 2.2: A 101 ASN : amide:sc= -0.24 K(o=-0.082,f=-1.6!) USER MOD Set 2.3: A 103 MET CE :methyl 169:sc=-0.00543 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.0106 (180deg=-0.39) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.199 (180deg=-0.904) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.985 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0179 K(o=-0.018,f=-0.56) USER MOD Single : A 19 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.49) USER MOD Single : A 23 ASN : amide:sc= -5.73! C(o=-5.7!,f=-11!) USER MOD Single : A 35 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.051) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -19:sc= 1.83 USER MOD Single : A 45 HIS : no HE2:sc= -2.72! C(o=-2.7!,f=-2.8!) USER MOD Single : A 46 TYR OH : rot -100:sc= -0.226 USER MOD Single : A 48 SER OG : rot -104:sc= 1.11 USER MOD Single : A 50 SER OG : rot 180:sc= -0.255 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.162) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.34 F(o=-0.98,f=-0.34) USER MOD Single : A 61 ASN : amide:sc= -2.2 X(o=-2.2,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.0516 (180deg=-0.358) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00198 USER MOD Single : A 71 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-12!) USER MOD Single : A 72 SER OG : rot 111:sc= -1.82 USER MOD Single : A 75 SER OG : rot 73:sc= 1.11 USER MOD Single : A 76 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 82 CYS SG : rot 150:sc= -1.58 USER MOD Single : A 88 ASN :FLIP amide:sc= -2.02 F(o=-4.4!,f=-2) USER MOD Single : A 89 TYR OH : rot 133:sc= -4.93! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.77 K(o=-1.8,f=-4!) USER MOD Single : A 115 SER OG : rot 77:sc= 1.2 USER MOD Single : A 117 LYS NZ :NH3+ -144:sc= -0.0747 (180deg=-0.681) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.264 19.011 8.106 1.00 0.00 N ATOM 2 CA MET A 1 5.122 19.162 7.167 1.00 0.00 C ATOM 3 C MET A 1 5.599 19.583 5.780 1.00 0.00 C ATOM 4 O MET A 1 4.924 20.345 5.088 1.00 0.00 O ATOM 5 CB MET A 1 4.161 20.208 7.735 1.00 0.00 C ATOM 6 CG MET A 1 4.842 21.506 8.139 1.00 0.00 C ATOM 7 SD MET A 1 3.807 22.954 7.855 1.00 0.00 S ATOM 8 CE MET A 1 4.080 23.870 9.369 1.00 0.00 C ATOM 0 H1 MET A 1 5.910 18.994 9.084 1.00 0.00 H new ATOM 0 H2 MET A 1 6.765 18.122 7.903 1.00 0.00 H new ATOM 0 H3 MET A 1 6.918 19.811 7.989 1.00 0.00 H new ATOM 0 HA MET A 1 4.616 18.203 7.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.394 20.426 6.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.653 19.789 8.603 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.110 21.458 9.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.771 21.613 7.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.504 24.795 9.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.762 23.268 10.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.140 24.105 9.466 1.00 0.00 H new ATOM 18 N ALA A 2 6.765 19.084 5.380 1.00 0.00 N ATOM 19 CA ALA A 2 7.326 19.413 4.076 1.00 0.00 C ATOM 20 C ALA A 2 8.579 18.592 3.788 1.00 0.00 C ATOM 21 O ALA A 2 9.104 17.911 4.668 1.00 0.00 O ATOM 22 CB ALA A 2 7.640 20.900 3.996 1.00 0.00 C ATOM 0 H ALA A 2 7.338 18.452 5.939 1.00 0.00 H new ATOM 0 HA ALA A 2 6.582 19.166 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.058 21.131 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.725 21.474 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.362 21.162 4.770 1.00 0.00 H new ATOM 28 N MET A 3 9.052 18.665 2.548 1.00 0.00 N ATOM 29 CA MET A 3 10.244 17.934 2.136 1.00 0.00 C ATOM 30 C MET A 3 10.044 16.429 2.285 1.00 0.00 C ATOM 31 O MET A 3 9.993 15.907 3.398 1.00 0.00 O ATOM 32 CB MET A 3 11.454 18.383 2.957 1.00 0.00 C ATOM 33 CG MET A 3 12.756 17.727 2.526 1.00 0.00 C ATOM 34 SD MET A 3 14.184 18.362 3.425 1.00 0.00 S ATOM 35 CE MET A 3 13.588 18.271 5.112 1.00 0.00 C ATOM 0 H MET A 3 8.626 19.225 1.809 1.00 0.00 H new ATOM 0 HA MET A 3 10.425 18.154 1.084 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.557 19.465 2.876 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.274 18.158 4.008 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.684 16.650 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.903 17.887 1.458 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.433 18.318 5.799 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.916 19.107 5.306 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.052 17.333 5.259 1.00 0.00 H new ATOM 45 N ALA A 4 9.934 15.739 1.154 1.00 0.00 N ATOM 46 CA ALA A 4 9.741 14.294 1.157 1.00 0.00 C ATOM 47 C ALA A 4 11.076 13.563 1.057 1.00 0.00 C ATOM 48 O ALA A 4 11.855 13.796 0.133 1.00 0.00 O ATOM 49 CB ALA A 4 8.825 13.882 0.014 1.00 0.00 C ATOM 0 H ALA A 4 9.975 16.157 0.225 1.00 0.00 H new ATOM 0 HA ALA A 4 9.273 14.016 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.689 12.801 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.857 14.370 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.271 14.179 -0.935 1.00 0.00 H new ATOM 55 N ARG A 5 11.334 12.677 2.015 1.00 0.00 N ATOM 56 CA ARG A 5 12.577 11.911 2.034 1.00 0.00 C ATOM 57 C ARG A 5 12.292 10.413 2.004 1.00 0.00 C ATOM 58 O ARG A 5 11.748 9.855 2.957 1.00 0.00 O ATOM 59 CB ARG A 5 13.411 12.261 3.273 1.00 0.00 C ATOM 60 CG ARG A 5 12.592 12.792 4.441 1.00 0.00 C ATOM 61 CD ARG A 5 11.731 11.703 5.061 1.00 0.00 C ATOM 62 NE ARG A 5 11.107 12.146 6.306 1.00 0.00 N ATOM 63 CZ ARG A 5 10.565 11.321 7.199 1.00 0.00 C ATOM 64 NH1 ARG A 5 10.570 10.011 6.992 1.00 0.00 N ATOM 65 NH2 ARG A 5 10.016 11.809 8.303 1.00 0.00 N ATOM 0 H ARG A 5 10.700 12.472 2.787 1.00 0.00 H new ATOM 0 HA ARG A 5 13.146 12.175 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.953 11.372 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.157 13.006 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.260 13.203 5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.956 13.609 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.958 11.404 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.343 10.822 5.255 1.00 0.00 H new ATOM 0 HE ARG A 5 11.086 13.147 6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.991 9.630 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.153 9.384 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.009 12.816 8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.600 11.178 8.988 1.00 0.00 H new ATOM 79 N SER A 6 12.660 9.768 0.901 1.00 0.00 N ATOM 80 CA SER A 6 12.441 8.334 0.741 1.00 0.00 C ATOM 81 C SER A 6 10.949 8.009 0.771 1.00 0.00 C ATOM 82 O SER A 6 10.307 7.915 -0.276 1.00 0.00 O ATOM 83 CB SER A 6 13.176 7.556 1.836 1.00 0.00 C ATOM 84 OG SER A 6 14.484 7.202 1.421 1.00 0.00 O ATOM 0 H SER A 6 13.112 10.216 0.104 1.00 0.00 H new ATOM 0 HA SER A 6 12.839 8.034 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.230 8.160 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.614 6.656 2.086 1.00 0.00 H new ATOM 0 HG SER A 6 14.932 6.708 2.139 1.00 0.00 H new ATOM 90 N ILE A 7 10.401 7.846 1.971 1.00 0.00 N ATOM 91 CA ILE A 7 8.985 7.542 2.127 1.00 0.00 C ATOM 92 C ILE A 7 8.189 8.813 2.401 1.00 0.00 C ATOM 93 O ILE A 7 8.677 9.728 3.066 1.00 0.00 O ATOM 94 CB ILE A 7 8.747 6.538 3.272 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.258 6.200 3.381 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.271 7.097 4.589 1.00 0.00 C ATOM 97 CD1 ILE A 7 6.937 5.227 4.493 1.00 0.00 C ATOM 0 H ILE A 7 10.916 7.919 2.848 1.00 0.00 H new ATOM 0 HA ILE A 7 8.646 7.094 1.193 1.00 0.00 H new ATOM 0 HB ILE A 7 9.293 5.621 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.696 7.120 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.919 5.781 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.095 6.375 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.341 7.289 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.753 8.028 4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.864 5.035 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.471 4.292 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.244 5.652 5.448 1.00 0.00 H new ATOM 109 N SER A 8 6.966 8.871 1.886 1.00 0.00 N ATOM 110 CA SER A 8 6.124 10.043 2.086 1.00 0.00 C ATOM 111 C SER A 8 4.656 9.666 2.229 1.00 0.00 C ATOM 112 O SER A 8 4.135 8.831 1.494 1.00 0.00 O ATOM 113 CB SER A 8 6.295 11.029 0.932 1.00 0.00 C ATOM 114 OG SER A 8 6.459 10.351 -0.302 1.00 0.00 O ATOM 0 H SER A 8 6.539 8.128 1.332 1.00 0.00 H new ATOM 0 HA SER A 8 6.443 10.516 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.425 11.683 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.161 11.665 1.119 1.00 0.00 H new ATOM 0 HG SER A 8 5.770 10.648 -0.933 1.00 0.00 H new ATOM 120 N TYR A 9 3.994 10.311 3.174 1.00 0.00 N ATOM 121 CA TYR A 9 2.578 10.076 3.424 1.00 0.00 C ATOM 122 C TYR A 9 1.756 11.149 2.726 1.00 0.00 C ATOM 123 O TYR A 9 2.093 12.330 2.801 1.00 0.00 O ATOM 124 CB TYR A 9 2.286 10.080 4.931 1.00 0.00 C ATOM 125 CG TYR A 9 3.327 10.793 5.766 1.00 0.00 C ATOM 126 CD1 TYR A 9 4.490 10.142 6.156 1.00 0.00 C ATOM 127 CD2 TYR A 9 3.147 12.112 6.164 1.00 0.00 C ATOM 128 CE1 TYR A 9 5.445 10.785 6.920 1.00 0.00 C ATOM 129 CE2 TYR A 9 4.099 12.762 6.928 1.00 0.00 C ATOM 130 CZ TYR A 9 5.246 12.094 7.303 1.00 0.00 C ATOM 131 OH TYR A 9 6.195 12.738 8.064 1.00 0.00 O ATOM 0 H TYR A 9 4.417 11.008 3.787 1.00 0.00 H new ATOM 0 HA TYR A 9 2.306 9.097 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.317 10.550 5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.204 9.049 5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.651 9.117 5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.250 12.638 5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.344 10.264 7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.945 13.788 7.230 1.00 0.00 H new ATOM 0 HH TYR A 9 5.901 13.655 8.246 1.00 0.00 H new ATOM 141 N ILE A 10 0.685 10.757 2.033 1.00 0.00 N ATOM 142 CA ILE A 10 -0.128 11.746 1.332 1.00 0.00 C ATOM 143 C ILE A 10 -1.591 11.659 1.725 1.00 0.00 C ATOM 144 O ILE A 10 -2.152 10.575 1.788 1.00 0.00 O ATOM 145 CB ILE A 10 -0.014 11.594 -0.199 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.030 10.114 -0.594 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.219 12.322 -0.712 1.00 0.00 C ATOM 148 CD1 ILE A 10 0.013 9.887 -2.090 1.00 0.00 C ATOM 0 H ILE A 10 0.369 9.791 1.944 1.00 0.00 H new ATOM 0 HA ILE A 10 0.262 12.720 1.628 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.896 12.042 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.929 9.661 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.822 9.602 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.286 12.206 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.146 13.381 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.110 11.901 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.046 8.817 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.899 10.310 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.879 10.370 -2.541 1.00 0.00 H new ATOM 160 N THR A 11 -2.199 12.816 1.978 1.00 0.00 N ATOM 161 CA THR A 11 -3.609 12.881 2.350 1.00 0.00 C ATOM 162 C THR A 11 -4.475 13.122 1.114 1.00 0.00 C ATOM 163 O THR A 11 -3.958 13.402 0.032 1.00 0.00 O ATOM 164 CB THR A 11 -3.845 13.986 3.381 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.643 14.306 4.058 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.878 13.618 4.425 1.00 0.00 C ATOM 0 H THR A 11 -1.735 13.723 1.932 1.00 0.00 H new ATOM 0 HA THR A 11 -3.889 11.926 2.795 1.00 0.00 H new ATOM 0 HB THR A 11 -4.215 14.839 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.815 15.016 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.998 14.445 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.831 13.414 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.549 12.730 4.965 1.00 0.00 H new ATOM 174 N SER A 12 -5.792 13.000 1.278 1.00 0.00 N ATOM 175 CA SER A 12 -6.737 13.189 0.172 1.00 0.00 C ATOM 176 C SER A 12 -6.347 14.368 -0.721 1.00 0.00 C ATOM 177 O SER A 12 -5.909 14.179 -1.856 1.00 0.00 O ATOM 178 CB SER A 12 -8.152 13.396 0.717 1.00 0.00 C ATOM 179 OG SER A 12 -8.121 13.927 2.031 1.00 0.00 O ATOM 0 H SER A 12 -6.232 12.770 2.169 1.00 0.00 H new ATOM 0 HA SER A 12 -6.707 12.287 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.702 14.071 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.687 12.446 0.718 1.00 0.00 H new ATOM 0 HG SER A 12 -9.037 14.051 2.355 1.00 0.00 H new ATOM 185 N THR A 13 -6.511 15.579 -0.203 1.00 0.00 N ATOM 186 CA THR A 13 -6.180 16.788 -0.951 1.00 0.00 C ATOM 187 C THR A 13 -4.709 16.837 -1.305 1.00 0.00 C ATOM 188 O THR A 13 -4.349 17.311 -2.376 1.00 0.00 O ATOM 189 CB THR A 13 -6.570 18.043 -0.180 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.019 18.024 1.124 1.00 0.00 O ATOM 191 CG2 THR A 13 -8.067 18.225 -0.045 1.00 0.00 C ATOM 0 H THR A 13 -6.872 15.751 0.735 1.00 0.00 H new ATOM 0 HA THR A 13 -6.756 16.755 -1.876 1.00 0.00 H new ATOM 0 HB THR A 13 -6.172 18.873 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.280 18.839 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.274 19.137 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.516 18.297 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.491 17.371 0.484 1.00 0.00 H new ATOM 199 N GLN A 14 -3.855 16.347 -0.414 1.00 0.00 N ATOM 200 CA GLN A 14 -2.420 16.354 -0.677 1.00 0.00 C ATOM 201 C GLN A 14 -2.127 15.624 -1.980 1.00 0.00 C ATOM 202 O GLN A 14 -1.053 15.777 -2.557 1.00 0.00 O ATOM 203 CB GLN A 14 -1.658 15.693 0.470 1.00 0.00 C ATOM 204 CG GLN A 14 -2.021 16.237 1.843 1.00 0.00 C ATOM 205 CD GLN A 14 -1.583 17.677 2.032 1.00 0.00 C ATOM 206 OE1 GLN A 14 -2.167 18.597 1.457 1.00 0.00 O ATOM 207 NE2 GLN A 14 -0.552 17.880 2.843 1.00 0.00 N ATOM 0 H GLN A 14 -4.125 15.945 0.484 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.090 17.389 -0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.852 14.620 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.588 15.827 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.100 16.167 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.558 15.616 2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.098 17.088 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.214 18.828 3.011 1.00 0.00 H new ATOM 216 N LEU A 15 -3.108 14.863 -2.461 1.00 0.00 N ATOM 217 CA LEU A 15 -2.974 14.158 -3.718 1.00 0.00 C ATOM 218 C LEU A 15 -3.090 15.145 -4.880 1.00 0.00 C ATOM 219 O LEU A 15 -2.524 14.922 -5.950 1.00 0.00 O ATOM 220 CB LEU A 15 -4.051 13.077 -3.839 1.00 0.00 C ATOM 221 CG LEU A 15 -3.997 12.246 -5.122 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.989 11.115 -4.987 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.376 11.697 -5.455 1.00 0.00 C ATOM 0 H LEU A 15 -4.003 14.724 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.995 13.679 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.966 12.404 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.030 13.553 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.675 12.893 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.966 10.536 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.000 11.530 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.278 10.467 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.322 11.108 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.723 11.066 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.072 12.524 -5.596 1.00 0.00 H new ATOM 235 N LEU A 16 -3.841 16.237 -4.670 1.00 0.00 N ATOM 236 CA LEU A 16 -4.030 17.240 -5.721 1.00 0.00 C ATOM 237 C LEU A 16 -2.732 17.999 -6.057 1.00 0.00 C ATOM 238 O LEU A 16 -2.348 18.088 -7.223 1.00 0.00 O ATOM 239 CB LEU A 16 -5.134 18.225 -5.311 1.00 0.00 C ATOM 240 CG LEU A 16 -5.136 19.565 -6.053 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.320 19.346 -7.546 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.227 20.474 -5.506 1.00 0.00 C ATOM 0 H LEU A 16 -4.320 16.444 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.328 16.709 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.100 17.744 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.042 18.422 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.173 20.050 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.319 20.308 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.504 18.732 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.269 18.841 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.215 21.422 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.198 19.996 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.051 20.656 -4.446 1.00 0.00 H new ATOM 254 N PRO A 17 -2.049 18.575 -5.047 1.00 0.00 N ATOM 255 CA PRO A 17 -0.813 19.343 -5.251 1.00 0.00 C ATOM 256 C PRO A 17 0.188 18.677 -6.193 1.00 0.00 C ATOM 257 O PRO A 17 0.848 19.359 -6.978 1.00 0.00 O ATOM 258 CB PRO A 17 -0.229 19.443 -3.844 1.00 0.00 C ATOM 259 CG PRO A 17 -1.414 19.416 -2.946 1.00 0.00 C ATOM 260 CD PRO A 17 -2.441 18.549 -3.627 1.00 0.00 C ATOM 0 HA PRO A 17 -1.024 20.301 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.446 18.613 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.345 20.361 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.152 19.013 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.801 20.422 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.432 17.534 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.449 18.938 -3.485 1.00 0.00 H new ATOM 268 N LEU A 18 0.315 17.355 -6.115 1.00 0.00 N ATOM 269 CA LEU A 18 1.266 16.646 -6.977 1.00 0.00 C ATOM 270 C LEU A 18 0.649 16.297 -8.332 1.00 0.00 C ATOM 271 O LEU A 18 1.189 15.473 -9.069 1.00 0.00 O ATOM 272 CB LEU A 18 1.823 15.364 -6.322 1.00 0.00 C ATOM 273 CG LEU A 18 1.445 15.098 -4.860 1.00 0.00 C ATOM 274 CD1 LEU A 18 1.612 16.346 -4.005 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.029 14.553 -4.769 1.00 0.00 C ATOM 0 H LEU A 18 -0.215 16.760 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 18 2.096 17.336 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.493 14.512 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.910 15.397 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 18 2.128 14.345 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.335 16.121 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.651 16.674 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.969 17.138 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.224 14.369 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.668 15.278 -5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.038 13.620 -5.328 1.00 0.00 H new ATOM 287 N HIS A 19 -0.472 16.931 -8.665 1.00 0.00 N ATOM 288 CA HIS A 19 -1.136 16.681 -9.941 1.00 0.00 C ATOM 289 C HIS A 19 -1.566 15.220 -10.073 1.00 0.00 C ATOM 290 O HIS A 19 -1.840 14.746 -11.177 1.00 0.00 O ATOM 291 CB HIS A 19 -0.202 17.054 -11.096 1.00 0.00 C ATOM 292 CG HIS A 19 -0.821 17.982 -12.094 1.00 0.00 C ATOM 293 ND1 HIS A 19 -1.752 18.941 -11.756 1.00 0.00 N ATOM 294 CD2 HIS A 19 -0.636 18.094 -13.431 1.00 0.00 C ATOM 295 CE1 HIS A 19 -2.112 19.603 -12.841 1.00 0.00 C ATOM 296 NE2 HIS A 19 -1.450 19.109 -13.870 1.00 0.00 N ATOM 0 H HIS A 19 -0.938 17.618 -8.072 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.032 17.300 -9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.697 17.518 -10.690 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.113 16.143 -11.606 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.028 17.497 -14.038 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.827 20.412 -12.879 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.530 19.429 -14.835 1.00 0.00 H new ATOM 305 N ARG A 20 -1.627 14.508 -8.951 1.00 0.00 N ATOM 306 CA ARG A 20 -2.026 13.104 -8.961 1.00 0.00 C ATOM 307 C ARG A 20 -1.136 12.295 -9.901 1.00 0.00 C ATOM 308 O ARG A 20 -1.618 11.662 -10.841 1.00 0.00 O ATOM 309 CB ARG A 20 -3.491 12.975 -9.382 1.00 0.00 C ATOM 310 CG ARG A 20 -4.022 11.550 -9.308 1.00 0.00 C ATOM 311 CD ARG A 20 -4.514 11.064 -10.663 1.00 0.00 C ATOM 312 NE ARG A 20 -5.378 12.045 -11.318 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.020 11.818 -12.461 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.900 10.649 -13.078 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.787 12.763 -12.990 1.00 0.00 N ATOM 0 H ARG A 20 -1.406 14.879 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.910 12.707 -7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.101 13.615 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.601 13.343 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.236 10.887 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.837 11.502 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.658 10.850 -11.304 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.059 10.129 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.495 12.955 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.313 9.918 -12.676 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.395 10.482 -13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.884 13.663 -12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.279 12.589 -13.866 1.00 0.00 H new ATOM 329 N ARG A 21 0.167 12.324 -9.642 1.00 0.00 N ATOM 330 CA ARG A 21 1.134 11.600 -10.466 1.00 0.00 C ATOM 331 C ARG A 21 0.722 10.138 -10.656 1.00 0.00 C ATOM 332 O ARG A 21 0.260 9.490 -9.717 1.00 0.00 O ATOM 333 CB ARG A 21 2.526 11.667 -9.831 1.00 0.00 C ATOM 334 CG ARG A 21 2.950 13.074 -9.441 1.00 0.00 C ATOM 335 CD ARG A 21 4.440 13.290 -9.661 1.00 0.00 C ATOM 336 NE ARG A 21 5.251 12.488 -8.746 1.00 0.00 N ATOM 337 CZ ARG A 21 6.571 12.610 -8.623 1.00 0.00 C ATOM 338 NH1 ARG A 21 7.233 13.500 -9.352 1.00 0.00 N ATOM 339 NH2 ARG A 21 7.232 11.841 -7.767 1.00 0.00 N ATOM 0 H ARG A 21 0.581 12.842 -8.867 1.00 0.00 H new ATOM 0 HA ARG A 21 1.159 12.077 -11.446 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.543 11.033 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.255 11.257 -10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.386 13.800 -10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.707 13.251 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.695 13.035 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.677 14.345 -9.526 1.00 0.00 H new ATOM 0 HE ARG A 21 4.777 11.794 -8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.730 14.095 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.244 13.589 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.729 11.156 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.243 11.935 -7.673 1.00 0.00 H new ATOM 353 N PRO A 22 0.893 9.596 -11.876 1.00 0.00 N ATOM 354 CA PRO A 22 0.548 8.206 -12.181 1.00 0.00 C ATOM 355 C PRO A 22 1.556 7.237 -11.574 1.00 0.00 C ATOM 356 O PRO A 22 2.194 7.551 -10.568 1.00 0.00 O ATOM 357 CB PRO A 22 0.603 8.175 -13.713 1.00 0.00 C ATOM 358 CG PRO A 22 1.634 9.185 -14.053 1.00 0.00 C ATOM 359 CD PRO A 22 1.447 10.289 -13.054 1.00 0.00 C ATOM 0 HA PRO A 22 -0.417 7.903 -11.775 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.875 7.186 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.362 8.426 -14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.636 8.762 -13.989 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.507 9.550 -15.072 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.390 10.784 -12.822 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.767 11.056 -13.425 1.00 0.00 H new ATOM 367 N ASN A 23 1.707 6.068 -12.182 1.00 0.00 N ATOM 368 CA ASN A 23 2.655 5.077 -11.681 1.00 0.00 C ATOM 369 C ASN A 23 2.317 4.692 -10.242 1.00 0.00 C ATOM 370 O ASN A 23 3.185 4.246 -9.505 1.00 0.00 O ATOM 371 CB ASN A 23 4.076 5.651 -11.718 1.00 0.00 C ATOM 372 CG ASN A 23 4.371 6.418 -12.994 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.516 6.551 -13.868 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.594 6.926 -13.107 1.00 0.00 N ATOM 0 H ASN A 23 1.192 5.783 -13.015 1.00 0.00 H new ATOM 0 HA ASN A 23 2.593 4.193 -12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.218 6.311 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.794 4.837 -11.615 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.853 7.450 -13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.273 6.792 -12.358 1.00 0.00 H new ATOM 381 N ILE A 24 1.069 4.910 -9.827 1.00 0.00 N ATOM 382 CA ILE A 24 0.672 4.627 -8.448 1.00 0.00 C ATOM 383 C ILE A 24 -0.204 3.384 -8.283 1.00 0.00 C ATOM 384 O ILE A 24 -1.060 3.074 -9.114 1.00 0.00 O ATOM 385 CB ILE A 24 -0.059 5.840 -7.837 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.283 5.637 -6.330 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.373 6.097 -8.562 1.00 0.00 C ATOM 388 CD1 ILE A 24 -1.494 4.791 -5.985 1.00 0.00 C ATOM 0 H ILE A 24 0.323 5.277 -10.418 1.00 0.00 H new ATOM 0 HA ILE A 24 1.604 4.426 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 24 0.570 6.721 -7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.605 5.170 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.390 6.613 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.873 6.957 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.174 6.299 -9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.014 5.220 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.577 4.699 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.393 5.265 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.383 3.800 -6.426 1.00 0.00 H new ATOM 400 N ALA A 25 0.017 2.707 -7.156 1.00 0.00 N ATOM 401 CA ALA A 25 -0.726 1.514 -6.761 1.00 0.00 C ATOM 402 C ALA A 25 -0.612 1.355 -5.248 1.00 0.00 C ATOM 403 O ALA A 25 0.398 1.735 -4.666 1.00 0.00 O ATOM 404 CB ALA A 25 -0.208 0.276 -7.475 1.00 0.00 C ATOM 0 H ALA A 25 0.731 2.979 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.772 1.629 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.783 -0.594 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.312 0.407 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.843 0.126 -7.228 1.00 0.00 H new ATOM 410 N ILE A 26 -1.648 0.836 -4.601 1.00 0.00 N ATOM 411 CA ILE A 26 -1.623 0.694 -3.145 1.00 0.00 C ATOM 412 C ILE A 26 -1.389 -0.746 -2.683 1.00 0.00 C ATOM 413 O ILE A 26 -2.088 -1.669 -3.097 1.00 0.00 O ATOM 414 CB ILE A 26 -2.929 1.215 -2.529 1.00 0.00 C ATOM 415 CG1 ILE A 26 -3.274 2.595 -3.092 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.837 1.259 -1.011 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.482 2.584 -4.000 1.00 0.00 C ATOM 0 H ILE A 26 -2.504 0.510 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.778 1.290 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.729 0.525 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.455 3.282 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.416 2.980 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.775 1.632 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.647 0.256 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.023 1.921 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.672 3.593 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.296 1.922 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.351 2.229 -3.446 1.00 0.00 H new ATOM 429 N ILE A 27 -0.400 -0.916 -1.804 1.00 0.00 N ATOM 430 CA ILE A 27 -0.064 -2.225 -1.252 1.00 0.00 C ATOM 431 C ILE A 27 -0.737 -2.459 0.104 1.00 0.00 C ATOM 432 O ILE A 27 -0.731 -1.592 0.975 1.00 0.00 O ATOM 433 CB ILE A 27 1.463 -2.423 -1.099 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.173 -1.084 -0.879 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.028 -3.127 -2.324 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.578 -1.226 -0.332 1.00 0.00 C ATOM 0 H ILE A 27 0.185 -0.155 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.440 -2.954 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 27 1.638 -3.046 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.213 -0.544 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.583 -0.478 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.103 -3.260 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.552 -4.101 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.834 -2.525 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.019 -0.238 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.544 -1.738 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.183 -1.804 -1.030 1.00 0.00 H new ATOM 448 N ASP A 28 -1.297 -3.653 0.270 1.00 0.00 N ATOM 449 CA ASP A 28 -1.959 -4.032 1.515 1.00 0.00 C ATOM 450 C ASP A 28 -1.594 -5.467 1.898 1.00 0.00 C ATOM 451 O ASP A 28 -1.554 -6.357 1.050 1.00 0.00 O ATOM 452 CB ASP A 28 -3.485 -3.881 1.413 1.00 0.00 C ATOM 453 CG ASP A 28 -3.999 -3.909 -0.016 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.492 -3.127 -0.848 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.915 -4.709 -0.299 1.00 0.00 O ATOM 0 H ASP A 28 -1.306 -4.379 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.608 -3.355 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.961 -4.682 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.782 -2.942 1.880 1.00 0.00 H new ATOM 460 N VAL A 29 -1.324 -5.682 3.181 1.00 0.00 N ATOM 461 CA VAL A 29 -0.959 -7.004 3.674 1.00 0.00 C ATOM 462 C VAL A 29 -1.347 -7.166 5.140 1.00 0.00 C ATOM 463 O VAL A 29 -1.327 -6.202 5.906 1.00 0.00 O ATOM 464 CB VAL A 29 0.553 -7.262 3.517 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.360 -6.270 4.343 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.893 -8.693 3.905 1.00 0.00 C ATOM 0 H VAL A 29 -1.351 -4.957 3.898 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.506 -7.732 3.075 1.00 0.00 H new ATOM 0 HB VAL A 29 0.817 -7.120 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.424 -6.472 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.141 -5.256 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.094 -6.372 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.964 -8.857 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.611 -8.865 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.348 -9.384 3.262 1.00 0.00 H new ATOM 476 N ARG A 30 -1.702 -8.386 5.527 1.00 0.00 N ATOM 477 CA ARG A 30 -2.094 -8.656 6.906 1.00 0.00 C ATOM 478 C ARG A 30 -1.878 -10.119 7.274 1.00 0.00 C ATOM 479 O ARG A 30 -0.967 -10.445 8.037 1.00 0.00 O ATOM 480 CB ARG A 30 -3.561 -8.278 7.125 1.00 0.00 C ATOM 481 CG ARG A 30 -3.784 -6.784 7.291 1.00 0.00 C ATOM 482 CD ARG A 30 -4.818 -6.490 8.367 1.00 0.00 C ATOM 483 NE ARG A 30 -4.466 -7.099 9.648 1.00 0.00 N ATOM 484 CZ ARG A 30 -3.501 -6.645 10.445 1.00 0.00 C ATOM 485 NH1 ARG A 30 -2.794 -5.576 10.099 1.00 0.00 N ATOM 486 NH2 ARG A 30 -3.244 -7.261 11.590 1.00 0.00 N ATOM 0 H ARG A 30 -1.727 -9.199 4.911 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.462 -8.047 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.150 -8.633 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.932 -8.793 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.842 -6.301 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.112 -6.357 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.913 -5.411 8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.791 -6.861 8.045 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.991 -7.920 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.989 -5.098 9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.056 -5.232 10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.785 -8.082 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.505 -6.914 12.201 1.00 0.00 H new ATOM 500 N ASP A 31 -2.723 -10.996 6.732 1.00 0.00 N ATOM 501 CA ASP A 31 -2.640 -12.432 7.003 1.00 0.00 C ATOM 502 C ASP A 31 -3.960 -13.114 6.653 1.00 0.00 C ATOM 503 O ASP A 31 -4.076 -13.780 5.625 1.00 0.00 O ATOM 504 CB ASP A 31 -2.301 -12.692 8.474 1.00 0.00 C ATOM 505 CG ASP A 31 -0.857 -13.110 8.668 1.00 0.00 C ATOM 506 OD1 ASP A 31 -0.352 -13.899 7.842 1.00 0.00 O ATOM 507 OD2 ASP A 31 -0.231 -12.649 9.645 1.00 0.00 O ATOM 0 H ASP A 31 -3.478 -10.735 6.098 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.845 -12.846 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.497 -11.790 9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.957 -13.470 8.863 1.00 0.00 H new ATOM 512 N GLU A 32 -4.953 -12.936 7.517 1.00 0.00 N ATOM 513 CA GLU A 32 -6.269 -13.526 7.305 1.00 0.00 C ATOM 514 C GLU A 32 -7.316 -12.437 7.095 1.00 0.00 C ATOM 515 O GLU A 32 -8.489 -12.616 7.423 1.00 0.00 O ATOM 516 CB GLU A 32 -6.656 -14.403 8.496 1.00 0.00 C ATOM 517 CG GLU A 32 -6.068 -15.803 8.437 1.00 0.00 C ATOM 518 CD GLU A 32 -5.550 -16.275 9.782 1.00 0.00 C ATOM 519 OE1 GLU A 32 -4.924 -15.464 10.496 1.00 0.00 O ATOM 520 OE2 GLU A 32 -5.772 -17.457 10.121 1.00 0.00 O ATOM 0 H GLU A 32 -4.871 -12.387 8.373 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.227 -14.146 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.327 -13.918 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.742 -14.476 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.828 -16.498 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.255 -15.821 7.712 1.00 0.00 H new ATOM 527 N GLU A 33 -6.880 -11.308 6.548 1.00 0.00 N ATOM 528 CA GLU A 33 -7.770 -10.183 6.290 1.00 0.00 C ATOM 529 C GLU A 33 -8.767 -10.506 5.181 1.00 0.00 C ATOM 530 O GLU A 33 -9.744 -9.783 4.987 1.00 0.00 O ATOM 531 CB GLU A 33 -6.962 -8.938 5.920 1.00 0.00 C ATOM 532 CG GLU A 33 -7.781 -7.658 5.917 1.00 0.00 C ATOM 533 CD GLU A 33 -8.132 -7.187 7.315 1.00 0.00 C ATOM 534 OE1 GLU A 33 -8.710 -7.984 8.084 1.00 0.00 O ATOM 535 OE2 GLU A 33 -7.829 -6.020 7.641 1.00 0.00 O ATOM 0 H GLU A 33 -5.911 -11.148 6.274 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.331 -9.987 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.136 -8.829 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.523 -9.081 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.223 -6.875 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.698 -7.819 5.351 1.00 0.00 H new ATOM 542 N ARG A 34 -8.527 -11.601 4.462 1.00 0.00 N ATOM 543 CA ARG A 34 -9.418 -12.013 3.388 1.00 0.00 C ATOM 544 C ARG A 34 -10.810 -12.272 3.940 1.00 0.00 C ATOM 545 O ARG A 34 -11.800 -12.219 3.212 1.00 0.00 O ATOM 546 CB ARG A 34 -8.882 -13.269 2.701 1.00 0.00 C ATOM 547 CG ARG A 34 -9.378 -13.440 1.273 1.00 0.00 C ATOM 548 CD ARG A 34 -8.594 -14.511 0.530 1.00 0.00 C ATOM 549 NE ARG A 34 -7.801 -13.951 -0.564 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.551 -13.509 -0.430 1.00 0.00 C ATOM 551 NH1 ARG A 34 -5.939 -13.561 0.746 1.00 0.00 N ATOM 552 NH2 ARG A 34 -5.908 -13.016 -1.480 1.00 0.00 N ATOM 0 H ARG A 34 -7.725 -12.215 4.606 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.471 -11.212 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.793 -13.234 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.171 -14.143 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.435 -13.705 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.292 -12.492 0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.935 -15.027 1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.284 -15.256 0.133 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.232 -13.895 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.425 -13.942 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.982 -13.220 0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.370 -12.976 -2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.951 -12.677 -1.379 1.00 0.00 H new ATOM 566 N ASN A 35 -10.876 -12.548 5.239 1.00 0.00 N ATOM 567 CA ASN A 35 -12.144 -12.806 5.892 1.00 0.00 C ATOM 568 C ASN A 35 -12.958 -11.522 5.985 1.00 0.00 C ATOM 569 O ASN A 35 -14.180 -11.534 5.841 1.00 0.00 O ATOM 570 CB ASN A 35 -11.918 -13.394 7.286 1.00 0.00 C ATOM 571 CG ASN A 35 -11.672 -14.890 7.247 1.00 0.00 C ATOM 572 OD1 ASN A 35 -10.676 -15.380 7.778 1.00 0.00 O ATOM 573 ND2 ASN A 35 -12.581 -15.622 6.615 1.00 0.00 N ATOM 0 H ASN A 35 -10.064 -12.597 5.855 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.700 -13.531 5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.066 -12.900 7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.787 -13.187 7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.469 -16.634 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.392 -15.172 6.189 1.00 0.00 H new ATOM 580 N TYR A 36 -12.264 -10.411 6.215 1.00 0.00 N ATOM 581 CA TYR A 36 -12.909 -9.108 6.316 1.00 0.00 C ATOM 582 C TYR A 36 -13.112 -8.508 4.928 1.00 0.00 C ATOM 583 O TYR A 36 -14.074 -7.776 4.690 1.00 0.00 O ATOM 584 CB TYR A 36 -12.069 -8.166 7.179 1.00 0.00 C ATOM 585 CG TYR A 36 -11.769 -8.712 8.557 1.00 0.00 C ATOM 586 CD1 TYR A 36 -10.774 -9.664 8.748 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.483 -8.279 9.666 1.00 0.00 C ATOM 588 CE1 TYR A 36 -10.499 -10.166 10.005 1.00 0.00 C ATOM 589 CE2 TYR A 36 -12.214 -8.777 10.927 1.00 0.00 C ATOM 590 CZ TYR A 36 -11.221 -9.720 11.091 1.00 0.00 C ATOM 591 OH TYR A 36 -10.951 -10.218 12.345 1.00 0.00 O ATOM 0 H TYR A 36 -11.251 -10.389 6.335 1.00 0.00 H new ATOM 0 HA TYR A 36 -13.884 -9.239 6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.129 -7.959 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -12.593 -7.216 7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.207 -10.017 7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.261 -7.541 9.541 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.722 -10.904 10.136 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.779 -8.429 11.780 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.548 -9.799 12.999 1.00 0.00 H new ATOM 601 N ASP A 37 -12.200 -8.833 4.016 1.00 0.00 N ATOM 602 CA ASP A 37 -12.269 -8.343 2.640 1.00 0.00 C ATOM 603 C ASP A 37 -11.907 -6.861 2.551 1.00 0.00 C ATOM 604 O ASP A 37 -12.152 -6.220 1.531 1.00 0.00 O ATOM 605 CB ASP A 37 -13.667 -8.572 2.057 1.00 0.00 C ATOM 606 CG ASP A 37 -14.207 -9.955 2.367 1.00 0.00 C ATOM 607 OD1 ASP A 37 -14.860 -10.114 3.419 1.00 0.00 O ATOM 608 OD2 ASP A 37 -13.977 -10.878 1.557 1.00 0.00 O ATOM 0 H ASP A 37 -11.400 -9.437 4.205 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.540 -8.906 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.350 -7.821 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.634 -8.432 0.976 1.00 0.00 H new ATOM 613 N GLY A 38 -11.323 -6.319 3.618 1.00 0.00 N ATOM 614 CA GLY A 38 -10.943 -4.914 3.622 1.00 0.00 C ATOM 615 C GLY A 38 -10.182 -4.505 2.371 1.00 0.00 C ATOM 616 O GLY A 38 -8.960 -4.640 2.308 1.00 0.00 O ATOM 0 H GLY A 38 -11.107 -6.825 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.839 -4.300 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.327 -4.711 4.498 1.00 0.00 H new ATOM 620 N HIS A 39 -10.908 -4.003 1.372 1.00 0.00 N ATOM 621 CA HIS A 39 -10.298 -3.570 0.112 1.00 0.00 C ATOM 622 C HIS A 39 -11.349 -3.257 -0.955 1.00 0.00 C ATOM 623 O HIS A 39 -11.352 -3.868 -2.023 1.00 0.00 O ATOM 624 CB HIS A 39 -9.336 -4.640 -0.428 1.00 0.00 C ATOM 625 CG HIS A 39 -9.719 -6.049 -0.088 1.00 0.00 C ATOM 626 ND1 HIS A 39 -10.785 -6.668 -0.693 1.00 0.00 N ATOM 627 CD2 HIS A 39 -9.142 -6.910 0.784 1.00 0.00 C ATOM 628 CE1 HIS A 39 -10.832 -7.886 -0.183 1.00 0.00 C ATOM 629 NE2 HIS A 39 -9.857 -8.079 0.717 1.00 0.00 N ATOM 0 H HIS A 39 -11.921 -3.886 1.410 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.744 -2.657 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.278 -4.544 -1.512 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.338 -4.444 -0.037 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.412 -6.270 -1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.285 -6.714 1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.563 -8.632 -0.457 1.00 0.00 H new ATOM 637 N ILE A 40 -12.237 -2.299 -0.679 1.00 0.00 N ATOM 638 CA ILE A 40 -13.267 -1.932 -1.650 1.00 0.00 C ATOM 639 C ILE A 40 -12.604 -1.476 -2.951 1.00 0.00 C ATOM 640 O ILE A 40 -12.903 -1.990 -4.029 1.00 0.00 O ATOM 641 CB ILE A 40 -14.230 -0.847 -1.085 1.00 0.00 C ATOM 642 CG1 ILE A 40 -15.589 -0.878 -1.802 1.00 0.00 C ATOM 643 CG2 ILE A 40 -13.623 0.545 -1.156 1.00 0.00 C ATOM 644 CD1 ILE A 40 -15.515 -1.203 -3.281 1.00 0.00 C ATOM 0 H ILE A 40 -12.264 -1.772 0.194 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.879 -2.809 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 40 -14.390 -1.085 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -16.226 -1.615 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.071 0.092 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -14.329 1.271 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.702 0.571 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.402 0.793 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.519 -1.203 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.907 -0.454 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.065 -2.187 -3.415 1.00 0.00 H new ATOM 656 N ALA A 41 -11.688 -0.523 -2.830 1.00 0.00 N ATOM 657 CA ALA A 41 -10.954 -0.002 -3.980 1.00 0.00 C ATOM 658 C ALA A 41 -9.599 -0.677 -4.132 1.00 0.00 C ATOM 659 O ALA A 41 -8.752 -0.532 -3.285 1.00 0.00 O ATOM 660 CB ALA A 41 -10.731 1.495 -3.815 1.00 0.00 C ATOM 0 H ALA A 41 -11.434 -0.092 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.551 -0.206 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.183 1.878 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.694 2.001 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.156 1.679 -2.907 1.00 0.00 H new ATOM 666 N GLY A 42 -9.405 -1.371 -5.247 1.00 0.00 N ATOM 667 CA GLY A 42 -8.148 -2.043 -5.552 1.00 0.00 C ATOM 668 C GLY A 42 -7.321 -2.407 -4.338 1.00 0.00 C ATOM 669 O GLY A 42 -7.786 -3.111 -3.442 1.00 0.00 O ATOM 0 H GLY A 42 -10.118 -1.484 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.363 -2.951 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.554 -1.399 -6.201 1.00 0.00 H new ATOM 673 N SER A 43 -6.082 -1.932 -4.323 1.00 0.00 N ATOM 674 CA SER A 43 -5.167 -2.215 -3.225 1.00 0.00 C ATOM 675 C SER A 43 -4.911 -3.715 -3.127 1.00 0.00 C ATOM 676 O SER A 43 -5.806 -4.482 -2.768 1.00 0.00 O ATOM 677 CB SER A 43 -5.736 -1.685 -1.906 1.00 0.00 C ATOM 678 OG SER A 43 -6.603 -2.631 -1.303 1.00 0.00 O ATOM 0 H SER A 43 -5.687 -1.348 -5.060 1.00 0.00 H new ATOM 0 HA SER A 43 -4.221 -1.711 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.919 -1.450 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.277 -0.756 -2.088 1.00 0.00 H new ATOM 0 HG SER A 43 -6.901 -3.277 -1.977 1.00 0.00 H new ATOM 684 N LEU A 44 -3.693 -4.134 -3.458 1.00 0.00 N ATOM 685 CA LEU A 44 -3.344 -5.551 -3.414 1.00 0.00 C ATOM 686 C LEU A 44 -3.254 -6.045 -1.975 1.00 0.00 C ATOM 687 O LEU A 44 -2.349 -5.671 -1.236 1.00 0.00 O ATOM 688 CB LEU A 44 -2.012 -5.794 -4.129 1.00 0.00 C ATOM 689 CG LEU A 44 -1.863 -5.090 -5.480 1.00 0.00 C ATOM 690 CD1 LEU A 44 -0.494 -5.374 -6.080 1.00 0.00 C ATOM 691 CD2 LEU A 44 -2.966 -5.526 -6.433 1.00 0.00 C ATOM 0 H LEU A 44 -2.937 -3.519 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.131 -6.107 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.202 -5.469 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.889 -6.866 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.952 -4.015 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.405 -4.866 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.281 -5.012 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.376 -6.448 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.844 -5.016 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.909 -6.603 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.937 -5.272 -6.007 1.00 0.00 H new ATOM 703 N HIS A 45 -4.197 -6.895 -1.586 1.00 0.00 N ATOM 704 CA HIS A 45 -4.221 -7.442 -0.235 1.00 0.00 C ATOM 705 C HIS A 45 -3.732 -8.886 -0.234 1.00 0.00 C ATOM 706 O HIS A 45 -4.089 -9.670 -1.115 1.00 0.00 O ATOM 707 CB HIS A 45 -5.641 -7.349 0.345 1.00 0.00 C ATOM 708 CG HIS A 45 -6.022 -8.497 1.231 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.923 -9.470 0.854 1.00 0.00 N ATOM 710 CD2 HIS A 45 -5.611 -8.831 2.477 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.047 -10.355 1.826 1.00 0.00 C ATOM 712 NE2 HIS A 45 -6.262 -9.990 2.823 1.00 0.00 N ATOM 0 H HIS A 45 -4.955 -7.220 -2.187 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.549 -6.857 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.729 -6.423 0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.354 -7.288 -0.478 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -7.417 -9.501 -0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.903 -8.288 3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.682 -11.228 1.809 1.00 0.00 H new ATOM 721 N TYR A 46 -2.921 -9.238 0.758 1.00 0.00 N ATOM 722 CA TYR A 46 -2.402 -10.598 0.855 1.00 0.00 C ATOM 723 C TYR A 46 -1.888 -10.914 2.263 1.00 0.00 C ATOM 724 O TYR A 46 -1.696 -10.021 3.088 1.00 0.00 O ATOM 725 CB TYR A 46 -1.313 -10.826 -0.203 1.00 0.00 C ATOM 726 CG TYR A 46 0.101 -10.562 0.268 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.510 -9.287 0.640 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.028 -11.592 0.331 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.804 -9.050 1.062 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.321 -11.364 0.752 1.00 0.00 C ATOM 731 CZ TYR A 46 2.706 -10.091 1.116 1.00 0.00 C ATOM 732 OH TYR A 46 3.996 -9.860 1.535 1.00 0.00 O ATOM 0 H TYR A 46 -2.611 -8.609 1.499 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.224 -11.287 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.377 -11.856 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.520 -10.185 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.194 -8.469 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.732 -12.590 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.107 -8.054 1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.029 -12.179 0.796 1.00 0.00 H new ATOM 0 HH TYR A 46 4.586 -9.791 0.755 1.00 0.00 H new ATOM 742 N ALA A 47 -1.688 -12.204 2.521 1.00 0.00 N ATOM 743 CA ALA A 47 -1.219 -12.682 3.817 1.00 0.00 C ATOM 744 C ALA A 47 0.300 -12.784 3.867 1.00 0.00 C ATOM 745 O ALA A 47 1.000 -12.273 2.994 1.00 0.00 O ATOM 746 CB ALA A 47 -1.831 -14.044 4.105 1.00 0.00 C ATOM 0 H ALA A 47 -1.846 -12.945 1.839 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.529 -11.961 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.481 -14.403 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.918 -13.959 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.533 -14.748 3.328 1.00 0.00 H new ATOM 752 N SER A 48 0.800 -13.470 4.893 1.00 0.00 N ATOM 753 CA SER A 48 2.234 -13.665 5.057 1.00 0.00 C ATOM 754 C SER A 48 2.638 -15.066 4.620 1.00 0.00 C ATOM 755 O SER A 48 3.699 -15.566 4.992 1.00 0.00 O ATOM 756 CB SER A 48 2.651 -13.421 6.508 1.00 0.00 C ATOM 757 OG SER A 48 2.041 -14.358 7.380 1.00 0.00 O ATOM 0 H SER A 48 0.231 -13.899 5.622 1.00 0.00 H new ATOM 0 HA SER A 48 2.749 -12.942 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.735 -13.492 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.373 -12.410 6.804 1.00 0.00 H new ATOM 0 HG SER A 48 1.308 -13.924 7.865 1.00 0.00 H new ATOM 763 N GLY A 49 1.788 -15.684 3.810 1.00 0.00 N ATOM 764 CA GLY A 49 2.070 -17.011 3.304 1.00 0.00 C ATOM 765 C GLY A 49 2.876 -16.944 2.027 1.00 0.00 C ATOM 766 O GLY A 49 3.698 -17.816 1.748 1.00 0.00 O ATOM 0 H GLY A 49 0.904 -15.286 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.618 -17.581 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.135 -17.540 3.121 1.00 0.00 H new ATOM 770 N SER A 50 2.646 -15.881 1.263 1.00 0.00 N ATOM 771 CA SER A 50 3.357 -15.661 0.017 1.00 0.00 C ATOM 772 C SER A 50 4.279 -14.451 0.128 1.00 0.00 C ATOM 773 O SER A 50 4.853 -14.003 -0.865 1.00 0.00 O ATOM 774 CB SER A 50 2.375 -15.457 -1.131 1.00 0.00 C ATOM 775 OG SER A 50 1.867 -14.134 -1.140 1.00 0.00 O ATOM 0 H SER A 50 1.966 -15.155 1.491 1.00 0.00 H new ATOM 0 HA SER A 50 3.961 -16.545 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.871 -15.666 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.552 -16.165 -1.039 1.00 0.00 H new ATOM 0 HG SER A 50 1.241 -14.029 -1.887 1.00 0.00 H new ATOM 781 N PHE A 51 4.432 -13.933 1.348 1.00 0.00 N ATOM 782 CA PHE A 51 5.300 -12.792 1.584 1.00 0.00 C ATOM 783 C PHE A 51 6.741 -13.152 1.258 1.00 0.00 C ATOM 784 O PHE A 51 7.607 -12.284 1.192 1.00 0.00 O ATOM 785 CB PHE A 51 5.184 -12.320 3.039 1.00 0.00 C ATOM 786 CG PHE A 51 5.916 -13.182 4.036 1.00 0.00 C ATOM 787 CD1 PHE A 51 6.022 -14.554 3.853 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.498 -12.615 5.159 1.00 0.00 C ATOM 789 CE1 PHE A 51 6.692 -15.340 4.771 1.00 0.00 C ATOM 790 CE2 PHE A 51 7.170 -13.398 6.079 1.00 0.00 C ATOM 791 CZ PHE A 51 7.267 -14.761 5.885 1.00 0.00 C ATOM 0 H PHE A 51 3.965 -14.289 2.182 1.00 0.00 H new ATOM 0 HA PHE A 51 4.987 -11.977 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.566 -11.301 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.130 -12.285 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.576 -15.012 2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.426 -11.549 5.317 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.766 -16.406 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.619 -12.943 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.792 -15.374 6.603 1.00 0.00 H new ATOM 801 N ASP A 52 6.992 -14.441 1.053 1.00 0.00 N ATOM 802 CA ASP A 52 8.326 -14.903 0.729 1.00 0.00 C ATOM 803 C ASP A 52 8.440 -15.219 -0.758 1.00 0.00 C ATOM 804 O ASP A 52 9.284 -16.017 -1.170 1.00 0.00 O ATOM 805 CB ASP A 52 8.681 -16.139 1.558 1.00 0.00 C ATOM 806 CG ASP A 52 9.211 -15.786 2.934 1.00 0.00 C ATOM 807 OD1 ASP A 52 9.134 -14.598 3.315 1.00 0.00 O ATOM 808 OD2 ASP A 52 9.704 -16.696 3.631 1.00 0.00 O ATOM 0 H ASP A 52 6.288 -15.177 1.106 1.00 0.00 H new ATOM 0 HA ASP A 52 9.029 -14.106 0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.797 -16.767 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.428 -16.727 1.025 1.00 0.00 H new ATOM 813 N ASP A 53 7.577 -14.600 -1.562 1.00 0.00 N ATOM 814 CA ASP A 53 7.580 -14.828 -3.000 1.00 0.00 C ATOM 815 C ASP A 53 7.460 -13.526 -3.795 1.00 0.00 C ATOM 816 O ASP A 53 7.596 -13.535 -5.019 1.00 0.00 O ATOM 817 CB ASP A 53 6.439 -15.775 -3.381 1.00 0.00 C ATOM 818 CG ASP A 53 6.771 -17.226 -3.089 1.00 0.00 C ATOM 819 OD1 ASP A 53 7.808 -17.710 -3.590 1.00 0.00 O ATOM 820 OD2 ASP A 53 5.993 -17.878 -2.360 1.00 0.00 O ATOM 0 H ASP A 53 6.870 -13.939 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 53 8.539 -15.280 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.539 -15.494 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.216 -15.662 -4.442 1.00 0.00 H new ATOM 825 N LYS A 54 7.206 -12.405 -3.117 1.00 0.00 N ATOM 826 CA LYS A 54 7.079 -11.124 -3.813 1.00 0.00 C ATOM 827 C LYS A 54 8.141 -10.128 -3.360 1.00 0.00 C ATOM 828 O LYS A 54 8.042 -8.930 -3.624 1.00 0.00 O ATOM 829 CB LYS A 54 5.682 -10.539 -3.603 1.00 0.00 C ATOM 830 CG LYS A 54 4.771 -10.702 -4.810 1.00 0.00 C ATOM 831 CD LYS A 54 3.356 -11.083 -4.398 1.00 0.00 C ATOM 832 CE LYS A 54 2.857 -12.293 -5.172 1.00 0.00 C ATOM 833 NZ LYS A 54 2.861 -12.055 -6.641 1.00 0.00 N ATOM 0 H LYS A 54 7.086 -12.357 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 54 7.231 -11.311 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.220 -11.021 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.772 -9.479 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.747 -9.771 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.176 -11.468 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.332 -11.298 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.687 -10.240 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.484 -13.154 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.846 -12.540 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.221 -12.732 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.540 -11.085 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.825 -12.181 -7.011 1.00 0.00 H new ATOM 847 N ILE A 55 9.158 -10.639 -2.685 1.00 0.00 N ATOM 848 CA ILE A 55 10.251 -9.817 -2.198 1.00 0.00 C ATOM 849 C ILE A 55 11.245 -9.567 -3.326 1.00 0.00 C ATOM 850 O ILE A 55 11.513 -8.439 -3.722 1.00 0.00 O ATOM 851 CB ILE A 55 10.959 -10.513 -1.015 1.00 0.00 C ATOM 852 CG1 ILE A 55 9.925 -11.111 -0.063 1.00 0.00 C ATOM 853 CG2 ILE A 55 11.841 -9.539 -0.266 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.942 -10.088 0.461 1.00 0.00 C ATOM 0 H ILE A 55 9.248 -11.630 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 55 9.851 -8.864 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 55 11.585 -11.310 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.379 -11.901 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.440 -11.576 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.329 -10.053 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.598 -9.140 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.233 -8.721 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.234 -10.574 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.480 -9.311 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.403 -9.641 -0.374 1.00 0.00 H new ATOM 866 N SER A 56 11.743 -10.653 -3.873 1.00 0.00 N ATOM 867 CA SER A 56 12.670 -10.578 -4.991 1.00 0.00 C ATOM 868 C SER A 56 11.953 -10.034 -6.210 1.00 0.00 C ATOM 869 O SER A 56 12.565 -9.672 -7.216 1.00 0.00 O ATOM 870 CB SER A 56 13.281 -11.948 -5.292 1.00 0.00 C ATOM 871 OG SER A 56 12.406 -12.734 -6.083 1.00 0.00 O ATOM 0 H SER A 56 11.525 -11.601 -3.565 1.00 0.00 H new ATOM 0 HA SER A 56 13.485 -9.905 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.230 -11.820 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.497 -12.467 -4.358 1.00 0.00 H new ATOM 0 HG SER A 56 12.820 -13.604 -6.263 1.00 0.00 H new ATOM 877 N HIS A 57 10.645 -9.963 -6.081 1.00 0.00 N ATOM 878 CA HIS A 57 9.779 -9.452 -7.113 1.00 0.00 C ATOM 879 C HIS A 57 9.913 -7.947 -7.191 1.00 0.00 C ATOM 880 O HIS A 57 10.179 -7.388 -8.250 1.00 0.00 O ATOM 881 CB HIS A 57 8.346 -9.817 -6.767 1.00 0.00 C ATOM 882 CG HIS A 57 7.615 -10.503 -7.877 1.00 0.00 C ATOM 883 ND1 HIS A 57 7.983 -11.736 -8.368 1.00 0.00 N ATOM 884 CD2 HIS A 57 6.536 -10.119 -8.600 1.00 0.00 C ATOM 885 CE1 HIS A 57 7.165 -12.083 -9.344 1.00 0.00 C ATOM 886 NE2 HIS A 57 6.276 -11.119 -9.506 1.00 0.00 N ATOM 0 H HIS A 57 10.150 -10.264 -5.242 1.00 0.00 H new ATOM 0 HA HIS A 57 10.053 -9.883 -8.076 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.347 -10.464 -5.890 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.806 -8.911 -6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.983 -9.198 -8.486 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.214 -12.999 -9.914 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.520 -11.117 -10.191 1.00 0.00 H new ATOM 895 N LEU A 58 9.768 -7.299 -6.044 1.00 0.00 N ATOM 896 CA LEU A 58 9.906 -5.855 -5.978 1.00 0.00 C ATOM 897 C LEU A 58 11.328 -5.494 -6.363 1.00 0.00 C ATOM 898 O LEU A 58 11.589 -4.440 -6.941 1.00 0.00 O ATOM 899 CB LEU A 58 9.571 -5.346 -4.575 1.00 0.00 C ATOM 900 CG LEU A 58 8.129 -4.861 -4.387 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.148 -5.844 -5.010 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.823 -4.666 -2.910 1.00 0.00 C ATOM 0 H LEU A 58 9.556 -7.748 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 58 9.209 -5.381 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.766 -6.145 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.248 -4.527 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 58 8.020 -3.901 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.130 -5.482 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.353 -5.936 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.258 -6.818 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.795 -4.321 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.950 -5.612 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.504 -3.924 -2.492 1.00 0.00 H new ATOM 914 N VAL A 59 12.236 -6.415 -6.062 1.00 0.00 N ATOM 915 CA VAL A 59 13.636 -6.249 -6.396 1.00 0.00 C ATOM 916 C VAL A 59 13.836 -6.394 -7.907 1.00 0.00 C ATOM 917 O VAL A 59 14.675 -5.718 -8.505 1.00 0.00 O ATOM 918 CB VAL A 59 14.498 -7.285 -5.631 1.00 0.00 C ATOM 919 CG1 VAL A 59 15.380 -8.096 -6.566 1.00 0.00 C ATOM 920 CG2 VAL A 59 15.327 -6.595 -4.562 1.00 0.00 C ATOM 0 H VAL A 59 12.020 -7.289 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 59 13.954 -5.250 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 59 13.819 -7.987 -5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.966 -8.809 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.756 -8.634 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.052 -7.427 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.927 -7.335 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.984 -5.861 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.665 -6.093 -3.856 1.00 0.00 H new ATOM 930 N GLN A 60 13.069 -7.303 -8.510 1.00 0.00 N ATOM 931 CA GLN A 60 13.159 -7.573 -9.942 1.00 0.00 C ATOM 932 C GLN A 60 11.957 -7.035 -10.712 1.00 0.00 C ATOM 933 O GLN A 60 11.656 -7.518 -11.804 1.00 0.00 O ATOM 934 CB GLN A 60 13.254 -9.080 -10.177 1.00 0.00 C ATOM 935 CG GLN A 60 14.641 -9.651 -9.959 1.00 0.00 C ATOM 936 CD GLN A 60 15.654 -9.114 -10.949 1.00 0.00 C ATOM 937 OE1 GLN A 60 16.234 -7.962 -10.633 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 15.913 -9.726 -11.985 1.00 0.00 N flip ATOM 0 H GLN A 60 12.374 -7.868 -8.023 1.00 0.00 H new ATOM 0 HA GLN A 60 14.051 -7.065 -10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.555 -9.586 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.938 -9.299 -11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.970 -9.419 -8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.600 -10.737 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.443 -10.608 -12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.598 -9.351 -12.641 1.00 0.00 H new ATOM 947 N ASN A 61 11.259 -6.056 -10.150 1.00 0.00 N ATOM 948 CA ASN A 61 10.087 -5.506 -10.820 1.00 0.00 C ATOM 949 C ASN A 61 9.961 -3.998 -10.617 1.00 0.00 C ATOM 950 O ASN A 61 8.866 -3.485 -10.388 1.00 0.00 O ATOM 951 CB ASN A 61 8.819 -6.211 -10.331 1.00 0.00 C ATOM 952 CG ASN A 61 8.702 -7.630 -10.864 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.848 -7.919 -11.702 1.00 0.00 O ATOM 954 ND2 ASN A 61 9.559 -8.528 -10.384 1.00 0.00 N ATOM 0 H ASN A 61 11.478 -5.633 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 61 10.212 -5.682 -11.888 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.817 -6.234 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.945 -5.637 -10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.522 -9.494 -10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.253 -8.250 -9.690 1.00 0.00 H new ATOM 961 N VAL A 62 11.079 -3.286 -10.725 1.00 0.00 N ATOM 962 CA VAL A 62 11.066 -1.835 -10.575 1.00 0.00 C ATOM 963 C VAL A 62 10.269 -1.197 -11.708 1.00 0.00 C ATOM 964 O VAL A 62 9.442 -0.312 -11.485 1.00 0.00 O ATOM 965 CB VAL A 62 12.492 -1.250 -10.571 1.00 0.00 C ATOM 966 CG1 VAL A 62 13.261 -1.724 -9.348 1.00 0.00 C ATOM 967 CG2 VAL A 62 13.227 -1.621 -11.851 1.00 0.00 C ATOM 0 H VAL A 62 11.998 -3.686 -10.914 1.00 0.00 H new ATOM 0 HA VAL A 62 10.598 -1.611 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 62 12.418 -0.163 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.265 -1.301 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.744 -1.400 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.326 -2.812 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.232 -1.199 -11.829 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.291 -2.706 -11.932 1.00 0.00 H new ATOM 0 HG23 VAL A 62 12.685 -1.224 -12.710 1.00 0.00 H new ATOM 977 N LYS A 63 10.517 -1.673 -12.926 1.00 0.00 N ATOM 978 CA LYS A 63 9.822 -1.182 -14.114 1.00 0.00 C ATOM 979 C LYS A 63 9.877 0.337 -14.243 1.00 0.00 C ATOM 980 O LYS A 63 9.112 0.918 -15.010 1.00 0.00 O ATOM 981 CB LYS A 63 8.367 -1.640 -14.088 1.00 0.00 C ATOM 982 CG LYS A 63 8.193 -3.118 -14.386 1.00 0.00 C ATOM 983 CD LYS A 63 6.745 -3.457 -14.701 1.00 0.00 C ATOM 984 CE LYS A 63 6.552 -3.738 -16.181 1.00 0.00 C ATOM 985 NZ LYS A 63 7.283 -4.961 -16.612 1.00 0.00 N ATOM 0 H LYS A 63 11.201 -2.405 -13.117 1.00 0.00 H new ATOM 0 HA LYS A 63 10.336 -1.600 -14.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.943 -1.423 -13.108 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.799 -1.061 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.825 -3.397 -15.229 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.527 -3.704 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.439 -4.327 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.102 -2.630 -14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.489 -3.856 -16.393 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.900 -2.883 -16.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.804 -5.380 -17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.258 -4.709 -16.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.298 -5.649 -15.832 1.00 0.00 H new ATOM 999 N ASP A 64 10.781 0.978 -13.508 1.00 0.00 N ATOM 1000 CA ASP A 64 10.913 2.429 -13.567 1.00 0.00 C ATOM 1001 C ASP A 64 9.646 3.113 -13.059 1.00 0.00 C ATOM 1002 O ASP A 64 9.654 3.764 -12.014 1.00 0.00 O ATOM 1003 CB ASP A 64 11.203 2.873 -15.003 1.00 0.00 C ATOM 1004 CG ASP A 64 11.697 4.304 -15.081 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.861 4.552 -14.699 1.00 0.00 O ATOM 1006 OD2 ASP A 64 10.922 5.177 -15.524 1.00 0.00 O ATOM 0 H ASP A 64 11.429 0.518 -12.868 1.00 0.00 H new ATOM 0 HA ASP A 64 11.744 2.721 -12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.949 2.210 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.297 2.772 -15.601 1.00 0.00 H new ATOM 1011 N LYS A 65 8.559 2.956 -13.807 1.00 0.00 N ATOM 1012 CA LYS A 65 7.278 3.552 -13.442 1.00 0.00 C ATOM 1013 C LYS A 65 6.573 2.714 -12.394 1.00 0.00 C ATOM 1014 O LYS A 65 5.773 1.836 -12.715 1.00 0.00 O ATOM 1015 CB LYS A 65 6.395 3.689 -14.677 1.00 0.00 C ATOM 1016 CG LYS A 65 4.912 3.892 -14.391 1.00 0.00 C ATOM 1017 CD LYS A 65 4.077 2.741 -14.928 1.00 0.00 C ATOM 1018 CE LYS A 65 4.170 2.643 -16.442 1.00 0.00 C ATOM 1019 NZ LYS A 65 2.881 2.995 -17.101 1.00 0.00 N ATOM 0 H LYS A 65 8.540 2.419 -14.674 1.00 0.00 H new ATOM 0 HA LYS A 65 7.467 4.541 -13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.754 4.531 -15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.512 2.795 -15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.757 3.984 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.578 4.826 -14.842 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.414 1.806 -14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.036 2.878 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.955 3.308 -16.801 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.457 1.630 -16.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.986 2.916 -18.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.137 2.344 -16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.620 3.971 -16.853 1.00 0.00 H new ATOM 1033 N ASP A 66 6.856 3.011 -11.146 1.00 0.00 N ATOM 1034 CA ASP A 66 6.224 2.299 -10.046 1.00 0.00 C ATOM 1035 C ASP A 66 6.200 3.119 -8.761 1.00 0.00 C ATOM 1036 O ASP A 66 7.233 3.408 -8.168 1.00 0.00 O ATOM 1037 CB ASP A 66 6.955 0.978 -9.798 1.00 0.00 C ATOM 1038 CG ASP A 66 6.005 -0.156 -9.465 1.00 0.00 C ATOM 1039 OD1 ASP A 66 4.879 -0.166 -10.007 1.00 0.00 O ATOM 1040 OD2 ASP A 66 6.386 -1.034 -8.662 1.00 0.00 O ATOM 0 H ASP A 66 7.515 3.736 -10.863 1.00 0.00 H new ATOM 0 HA ASP A 66 5.190 2.110 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.534 0.715 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.664 1.106 -8.980 1.00 0.00 H new ATOM 1045 N THR A 67 4.993 3.423 -8.315 1.00 0.00 N ATOM 1046 CA THR A 67 4.771 4.135 -7.067 1.00 0.00 C ATOM 1047 C THR A 67 3.878 3.270 -6.197 1.00 0.00 C ATOM 1048 O THR A 67 2.853 2.780 -6.672 1.00 0.00 O ATOM 1049 CB THR A 67 4.131 5.506 -7.312 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.805 6.196 -8.348 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.137 6.398 -6.089 1.00 0.00 C ATOM 0 H THR A 67 4.135 3.182 -8.811 1.00 0.00 H new ATOM 0 HA THR A 67 5.724 4.320 -6.570 1.00 0.00 H new ATOM 0 HB THR A 67 3.097 5.296 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.381 7.068 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.669 7.352 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.581 5.916 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.165 6.569 -5.768 1.00 0.00 H new ATOM 1059 N LEU A 68 4.246 3.051 -4.946 1.00 0.00 N ATOM 1060 CA LEU A 68 3.421 2.206 -4.091 1.00 0.00 C ATOM 1061 C LEU A 68 3.091 2.874 -2.770 1.00 0.00 C ATOM 1062 O LEU A 68 3.978 3.353 -2.068 1.00 0.00 O ATOM 1063 CB LEU A 68 4.120 0.871 -3.834 1.00 0.00 C ATOM 1064 CG LEU A 68 3.828 -0.221 -4.864 1.00 0.00 C ATOM 1065 CD1 LEU A 68 2.355 -0.601 -4.835 1.00 0.00 C ATOM 1066 CD2 LEU A 68 4.237 0.240 -6.256 1.00 0.00 C ATOM 0 H LEU A 68 5.084 3.432 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 68 2.483 2.035 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.196 1.042 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.826 0.508 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 68 4.413 -1.104 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.165 -1.379 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.094 -0.971 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.749 0.275 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.023 -0.548 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.677 1.137 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.304 0.462 -6.267 1.00 0.00 H new ATOM 1078 N VAL A 69 1.810 2.865 -2.418 1.00 0.00 N ATOM 1079 CA VAL A 69 1.366 3.430 -1.162 1.00 0.00 C ATOM 1080 C VAL A 69 0.728 2.324 -0.351 1.00 0.00 C ATOM 1081 O VAL A 69 -0.170 1.649 -0.842 1.00 0.00 O ATOM 1082 CB VAL A 69 0.357 4.581 -1.365 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.011 5.744 -2.094 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.872 4.097 -2.121 1.00 0.00 C ATOM 0 H VAL A 69 1.064 2.470 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 69 2.227 3.851 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 69 0.036 4.928 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.284 6.545 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.854 6.113 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.365 5.409 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.568 4.925 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.572 3.717 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.357 3.301 -1.556 1.00 0.00 H new ATOM 1094 N PHE A 70 1.188 2.099 0.872 1.00 0.00 N ATOM 1095 CA PHE A 70 0.613 1.009 1.653 1.00 0.00 C ATOM 1096 C PHE A 70 -0.389 1.519 2.663 1.00 0.00 C ATOM 1097 O PHE A 70 -0.322 2.669 3.088 1.00 0.00 O ATOM 1098 CB PHE A 70 1.701 0.194 2.364 1.00 0.00 C ATOM 1099 CG PHE A 70 2.838 1.010 2.911 1.00 0.00 C ATOM 1100 CD1 PHE A 70 3.886 1.397 2.093 1.00 0.00 C ATOM 1101 CD2 PHE A 70 2.864 1.378 4.247 1.00 0.00 C ATOM 1102 CE1 PHE A 70 4.938 2.139 2.596 1.00 0.00 C ATOM 1103 CE2 PHE A 70 3.913 2.121 4.755 1.00 0.00 C ATOM 1104 CZ PHE A 70 4.951 2.501 3.928 1.00 0.00 C ATOM 0 H PHE A 70 1.927 2.631 1.332 1.00 0.00 H new ATOM 0 HA PHE A 70 0.094 0.357 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.243 -0.362 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.102 -0.540 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.881 1.116 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.055 1.081 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.749 2.435 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.921 2.404 5.797 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.772 3.081 4.323 1.00 0.00 H new ATOM 1114 N HIS A 71 -1.323 0.630 3.020 1.00 0.00 N ATOM 1115 CA HIS A 71 -2.405 0.914 3.977 1.00 0.00 C ATOM 1116 C HIS A 71 -3.681 0.184 3.508 1.00 0.00 C ATOM 1117 O HIS A 71 -3.605 -0.984 3.129 1.00 0.00 O ATOM 1118 CB HIS A 71 -2.627 2.435 4.155 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.864 3.021 5.307 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -0.724 3.783 5.154 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -2.091 2.955 6.640 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -0.282 4.156 6.342 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -1.094 3.667 7.260 1.00 0.00 N ATOM 0 H HIS A 71 -1.351 -0.320 2.649 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.128 0.541 4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.334 2.947 3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.691 2.624 4.300 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.290 4.021 4.262 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.905 2.438 7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.594 4.758 6.530 1.00 0.00 H new ATOM 1132 N SER A 72 -4.847 0.845 3.517 1.00 0.00 N ATOM 1133 CA SER A 72 -6.086 0.207 3.075 1.00 0.00 C ATOM 1134 C SER A 72 -6.450 -0.986 3.956 1.00 0.00 C ATOM 1135 O SER A 72 -7.308 -1.790 3.597 1.00 0.00 O ATOM 1136 CB SER A 72 -5.965 -0.247 1.616 1.00 0.00 C ATOM 1137 OG SER A 72 -4.760 0.213 1.033 1.00 0.00 O ATOM 0 H SER A 72 -4.954 1.812 3.823 1.00 0.00 H new ATOM 0 HA SER A 72 -6.881 0.948 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.003 -1.335 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.814 0.128 1.045 1.00 0.00 H new ATOM 0 HG SER A 72 -4.163 -0.548 0.872 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.799 -1.098 5.109 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.067 -2.194 6.031 1.00 0.00 C ATOM 1145 C ALA A 73 -5.203 -2.083 7.279 1.00 0.00 C ATOM 1146 O ALA A 73 -4.796 -3.091 7.857 1.00 0.00 O ATOM 1147 CB ALA A 73 -5.836 -3.534 5.346 1.00 0.00 C ATOM 0 H ALA A 73 -5.083 -0.444 5.426 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.112 -2.130 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.041 -4.342 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.501 -3.623 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.801 -3.598 5.011 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.928 -0.851 7.694 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.116 -0.612 8.873 1.00 0.00 C ATOM 1155 C LEU A 74 -4.809 0.387 9.795 1.00 0.00 C ATOM 1156 O LEU A 74 -5.540 -0.013 10.700 1.00 0.00 O ATOM 1157 CB LEU A 74 -2.728 -0.114 8.461 1.00 0.00 C ATOM 1158 CG LEU A 74 -1.831 -1.167 7.802 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -1.774 -2.434 8.646 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -2.324 -1.481 6.396 1.00 0.00 C ATOM 0 H LEU A 74 -5.257 -0.005 7.229 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.993 -1.547 9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.848 0.722 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.220 0.272 9.345 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.822 -0.761 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.132 -3.167 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.372 -2.197 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.778 -2.845 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.676 -2.231 5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.343 -1.864 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.306 -0.573 5.793 1.00 0.00 H new ATOM 1172 N SER A 75 -4.596 1.685 9.541 1.00 0.00 N ATOM 1173 CA SER A 75 -5.220 2.760 10.336 1.00 0.00 C ATOM 1174 C SER A 75 -4.327 3.999 10.436 1.00 0.00 C ATOM 1175 O SER A 75 -4.491 4.806 11.351 1.00 0.00 O ATOM 1176 CB SER A 75 -5.557 2.283 11.755 1.00 0.00 C ATOM 1177 OG SER A 75 -6.857 1.722 11.808 1.00 0.00 O ATOM 0 H SER A 75 -3.994 2.021 8.789 1.00 0.00 H new ATOM 0 HA SER A 75 -6.137 3.028 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.824 1.543 12.077 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.490 3.121 12.449 1.00 0.00 H new ATOM 0 HG SER A 75 -6.854 0.846 11.368 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.381 4.150 9.508 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.467 5.295 9.514 1.00 0.00 C ATOM 1185 C GLN A 76 -1.363 5.118 10.557 1.00 0.00 C ATOM 1186 O GLN A 76 -0.283 5.695 10.431 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.225 6.604 9.772 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.542 6.714 9.017 1.00 0.00 C ATOM 1189 CD GLN A 76 -4.421 6.323 7.556 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -3.741 6.990 6.777 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -5.084 5.237 7.178 1.00 0.00 N ATOM 0 H GLN A 76 -3.227 3.494 8.742 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.006 5.347 8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.422 6.694 10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.587 7.443 9.494 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.285 6.077 9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.909 7.738 9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.636 4.714 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.042 4.926 6.208 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.633 4.310 11.580 1.00 0.00 N ATOM 1201 CA VAL A 77 -0.658 4.051 12.633 1.00 0.00 C ATOM 1202 C VAL A 77 0.012 2.702 12.408 1.00 0.00 C ATOM 1203 O VAL A 77 1.195 2.526 12.698 1.00 0.00 O ATOM 1204 CB VAL A 77 -1.308 4.071 14.028 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -1.569 5.502 14.474 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -2.597 3.261 14.033 1.00 0.00 C ATOM 0 H VAL A 77 -2.521 3.823 11.701 1.00 0.00 H new ATOM 0 HA VAL A 77 0.086 4.846 12.591 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.617 3.612 14.735 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.029 5.497 15.462 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.626 6.048 14.515 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.239 5.988 13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.040 3.288 15.029 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.296 3.686 13.313 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.379 2.228 13.761 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.761 1.757 11.876 1.00 0.00 N ATOM 1217 CA ARG A 78 -0.268 0.417 11.575 1.00 0.00 C ATOM 1218 C ARG A 78 0.537 0.416 10.278 1.00 0.00 C ATOM 1219 O ARG A 78 1.382 -0.447 10.072 1.00 0.00 O ATOM 1220 CB ARG A 78 -1.421 -0.584 11.502 1.00 0.00 C ATOM 1221 CG ARG A 78 -1.747 -1.227 12.840 1.00 0.00 C ATOM 1222 CD ARG A 78 -2.243 -0.200 13.846 1.00 0.00 C ATOM 1223 NE ARG A 78 -2.346 -0.753 15.195 1.00 0.00 N ATOM 1224 CZ ARG A 78 -1.310 -0.898 16.019 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -0.089 -0.550 15.630 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -1.495 -1.395 17.235 1.00 0.00 N ATOM 0 H ARG A 78 -1.744 1.899 11.643 1.00 0.00 H new ATOM 0 HA ARG A 78 0.394 0.109 12.385 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.309 -0.077 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.170 -1.364 10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.506 -1.996 12.700 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.859 -1.723 13.232 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.565 0.653 13.856 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.218 0.172 13.532 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.266 -1.045 15.525 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.059 -0.169 14.695 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.701 -0.663 16.266 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.430 -1.666 17.538 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.702 -1.506 17.867 1.00 0.00 H new ATOM 1240 N GLY A 79 0.265 1.395 9.408 1.00 0.00 N ATOM 1241 CA GLY A 79 0.986 1.495 8.147 1.00 0.00 C ATOM 1242 C GLY A 79 2.455 1.131 8.308 1.00 0.00 C ATOM 1243 O GLY A 79 2.976 0.303 7.561 1.00 0.00 O ATOM 0 H GLY A 79 -0.440 2.117 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.526 0.835 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.903 2.511 7.760 1.00 0.00 H new ATOM 1247 N PRO A 80 3.141 1.711 9.315 1.00 0.00 N ATOM 1248 CA PRO A 80 4.542 1.396 9.586 1.00 0.00 C ATOM 1249 C PRO A 80 4.707 -0.103 9.767 1.00 0.00 C ATOM 1250 O PRO A 80 5.703 -0.687 9.339 1.00 0.00 O ATOM 1251 CB PRO A 80 4.842 2.143 10.889 1.00 0.00 C ATOM 1252 CG PRO A 80 3.826 3.230 10.947 1.00 0.00 C ATOM 1253 CD PRO A 80 2.598 2.681 10.277 1.00 0.00 C ATOM 0 HA PRO A 80 5.215 1.688 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.763 1.481 11.752 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.854 2.547 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.615 3.513 11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.182 4.125 10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.928 2.205 10.993 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.027 3.465 9.779 1.00 0.00 H new ATOM 1261 N THR A 81 3.687 -0.735 10.360 1.00 0.00 N ATOM 1262 CA THR A 81 3.696 -2.178 10.538 1.00 0.00 C ATOM 1263 C THR A 81 3.797 -2.822 9.164 1.00 0.00 C ATOM 1264 O THR A 81 4.471 -3.835 8.982 1.00 0.00 O ATOM 1265 CB THR A 81 2.429 -2.649 11.255 1.00 0.00 C ATOM 1266 OG1 THR A 81 2.095 -1.769 12.315 1.00 0.00 O ATOM 1267 CG2 THR A 81 2.554 -4.041 11.836 1.00 0.00 C ATOM 0 H THR A 81 2.855 -0.268 10.720 1.00 0.00 H new ATOM 0 HA THR A 81 4.546 -2.467 11.155 1.00 0.00 H new ATOM 0 HB THR A 81 1.651 -2.659 10.491 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.281 -2.086 12.760 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.622 -4.314 12.330 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.762 -4.752 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.368 -4.061 12.560 1.00 0.00 H new ATOM 1275 N CYS A 82 3.165 -2.179 8.180 1.00 0.00 N ATOM 1276 CA CYS A 82 3.244 -2.648 6.805 1.00 0.00 C ATOM 1277 C CYS A 82 4.704 -2.585 6.384 1.00 0.00 C ATOM 1278 O CYS A 82 5.229 -3.491 5.738 1.00 0.00 O ATOM 1279 CB CYS A 82 2.382 -1.781 5.884 1.00 0.00 C ATOM 1280 SG CYS A 82 1.562 -2.698 4.559 1.00 0.00 S ATOM 0 H CYS A 82 2.599 -1.341 8.312 1.00 0.00 H new ATOM 0 HA CYS A 82 2.868 -3.669 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.625 -1.275 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.008 -1.006 5.441 1.00 0.00 H new ATOM 0 HG CYS A 82 0.441 -2.113 4.256 1.00 0.00 H new ATOM 1286 N ALA A 83 5.364 -1.512 6.827 1.00 0.00 N ATOM 1287 CA ALA A 83 6.779 -1.338 6.569 1.00 0.00 C ATOM 1288 C ALA A 83 7.515 -2.503 7.208 1.00 0.00 C ATOM 1289 O ALA A 83 8.509 -3.000 6.680 1.00 0.00 O ATOM 1290 CB ALA A 83 7.272 -0.009 7.123 1.00 0.00 C ATOM 0 H ALA A 83 4.935 -0.758 7.363 1.00 0.00 H new ATOM 0 HA ALA A 83 6.967 -1.323 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.337 0.099 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.727 0.807 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.106 0.020 8.200 1.00 0.00 H new ATOM 1296 N ARG A 84 6.971 -2.971 8.336 1.00 0.00 N ATOM 1297 CA ARG A 84 7.526 -4.122 9.026 1.00 0.00 C ATOM 1298 C ARG A 84 7.553 -5.282 8.045 1.00 0.00 C ATOM 1299 O ARG A 84 8.471 -6.096 8.042 1.00 0.00 O ATOM 1300 CB ARG A 84 6.702 -4.477 10.265 1.00 0.00 C ATOM 1301 CG ARG A 84 7.554 -4.834 11.472 1.00 0.00 C ATOM 1302 CD ARG A 84 6.733 -5.509 12.557 1.00 0.00 C ATOM 1303 NE ARG A 84 7.297 -5.284 13.884 1.00 0.00 N ATOM 1304 CZ ARG A 84 8.447 -5.812 14.300 1.00 0.00 C ATOM 1305 NH1 ARG A 84 9.154 -6.599 13.497 1.00 0.00 N ATOM 1306 NH2 ARG A 84 8.891 -5.552 15.522 1.00 0.00 N ATOM 0 H ARG A 84 6.149 -2.566 8.784 1.00 0.00 H new ATOM 0 HA ARG A 84 8.534 -3.895 9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.059 -3.634 10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.048 -5.317 10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.364 -5.495 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.015 -3.931 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.711 -5.131 12.528 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.682 -6.580 12.361 1.00 0.00 H new ATOM 0 HE ARG A 84 6.781 -4.688 14.531 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.817 -6.802 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.034 -7.000 13.821 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.352 -4.948 16.143 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.771 -5.956 15.841 1.00 0.00 H new ATOM 1320 N ARG A 85 6.547 -5.316 7.171 1.00 0.00 N ATOM 1321 CA ARG A 85 6.486 -6.338 6.144 1.00 0.00 C ATOM 1322 C ARG A 85 7.731 -6.219 5.285 1.00 0.00 C ATOM 1323 O ARG A 85 8.393 -7.211 4.994 1.00 0.00 O ATOM 1324 CB ARG A 85 5.225 -6.185 5.291 1.00 0.00 C ATOM 1325 CG ARG A 85 4.863 -7.435 4.508 1.00 0.00 C ATOM 1326 CD ARG A 85 5.440 -7.395 3.102 1.00 0.00 C ATOM 1327 NE ARG A 85 4.473 -6.897 2.128 1.00 0.00 N ATOM 1328 CZ ARG A 85 4.692 -6.867 0.814 1.00 0.00 C ATOM 1329 NH1 ARG A 85 5.841 -7.306 0.316 1.00 0.00 N ATOM 1330 NH2 ARG A 85 3.759 -6.399 -0.002 1.00 0.00 N ATOM 0 H ARG A 85 5.773 -4.651 7.159 1.00 0.00 H new ATOM 0 HA ARG A 85 6.443 -7.324 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.390 -5.917 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.366 -5.359 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.237 -8.315 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.779 -7.532 4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.325 -6.759 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.762 -8.396 2.814 1.00 0.00 H new ATOM 0 HE ARG A 85 3.578 -6.552 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.562 -7.669 0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.003 -7.281 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.874 -6.062 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.926 -6.376 -1.008 1.00 0.00 H new ATOM 1344 N LEU A 86 8.085 -4.981 4.932 1.00 0.00 N ATOM 1345 CA LEU A 86 9.308 -4.761 4.163 1.00 0.00 C ATOM 1346 C LEU A 86 10.486 -5.300 4.970 1.00 0.00 C ATOM 1347 O LEU A 86 11.494 -5.718 4.411 1.00 0.00 O ATOM 1348 CB LEU A 86 9.500 -3.275 3.842 1.00 0.00 C ATOM 1349 CG LEU A 86 9.008 -2.843 2.457 1.00 0.00 C ATOM 1350 CD1 LEU A 86 8.174 -1.575 2.555 1.00 0.00 C ATOM 1351 CD2 LEU A 86 10.185 -2.638 1.514 1.00 0.00 C ATOM 0 H LEU A 86 7.558 -4.138 5.159 1.00 0.00 H new ATOM 0 HA LEU A 86 9.240 -5.286 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.979 -2.686 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.560 -3.035 3.926 1.00 0.00 H new ATOM 0 HG LEU A 86 8.377 -3.636 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.834 -1.285 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.310 -1.756 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.779 -0.774 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.817 -2.331 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.841 -1.865 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.741 -3.571 1.417 1.00 0.00 H new ATOM 1363 N VAL A 87 10.329 -5.356 6.297 1.00 0.00 N ATOM 1364 CA VAL A 87 11.368 -5.932 7.134 1.00 0.00 C ATOM 1365 C VAL A 87 11.482 -7.399 6.753 1.00 0.00 C ATOM 1366 O VAL A 87 12.577 -7.949 6.679 1.00 0.00 O ATOM 1367 CB VAL A 87 11.089 -5.801 8.646 1.00 0.00 C ATOM 1368 CG1 VAL A 87 12.249 -6.370 9.450 1.00 0.00 C ATOM 1369 CG2 VAL A 87 10.844 -4.348 9.021 1.00 0.00 C ATOM 0 H VAL A 87 9.509 -5.016 6.799 1.00 0.00 H new ATOM 0 HA VAL A 87 12.295 -5.385 6.961 1.00 0.00 H new ATOM 0 HB VAL A 87 10.191 -6.372 8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.037 -6.270 10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.381 -7.424 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 87 13.161 -5.824 9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.649 -4.276 10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.724 -3.755 8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.983 -3.970 8.469 1.00 0.00 H new ATOM 1379 N ASN A 88 10.329 -8.010 6.444 1.00 0.00 N ATOM 1380 CA ASN A 88 10.311 -9.395 5.987 1.00 0.00 C ATOM 1381 C ASN A 88 11.076 -9.472 4.666 1.00 0.00 C ATOM 1382 O ASN A 88 11.636 -10.509 4.311 1.00 0.00 O ATOM 1383 CB ASN A 88 8.861 -9.897 5.819 1.00 0.00 C ATOM 1384 CG ASN A 88 8.426 -10.055 4.363 1.00 0.00 C ATOM 1385 OD1 ASN A 88 8.636 -11.240 3.798 1.00 0.00 O flip ATOM 1386 ND2 ASN A 88 7.900 -9.124 3.756 1.00 0.00 N flip ATOM 0 H ASN A 88 9.411 -7.569 6.503 1.00 0.00 H new ATOM 0 HA ASN A 88 10.789 -10.038 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 88 8.758 -10.857 6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 88 8.186 -9.201 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.755 -8.229 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.609 -9.247 2.786 1.00 0.00 H new ATOM 1393 N TYR A 89 11.096 -8.339 3.958 1.00 0.00 N ATOM 1394 CA TYR A 89 11.792 -8.218 2.683 1.00 0.00 C ATOM 1395 C TYR A 89 13.302 -8.319 2.905 1.00 0.00 C ATOM 1396 O TYR A 89 13.949 -9.255 2.433 1.00 0.00 O ATOM 1397 CB TYR A 89 11.410 -6.877 2.023 1.00 0.00 C ATOM 1398 CG TYR A 89 11.778 -6.752 0.566 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.063 -6.396 0.197 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.847 -7.009 -0.440 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.419 -6.290 -1.131 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.195 -6.912 -1.774 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.484 -6.547 -2.112 1.00 0.00 C ATOM 1404 OH TYR A 89 12.840 -6.444 -3.434 1.00 0.00 O ATOM 0 H TYR A 89 10.629 -7.483 4.256 1.00 0.00 H new ATOM 0 HA TYR A 89 11.497 -9.029 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.334 -6.734 2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.891 -6.069 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.799 -6.198 0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.839 -7.288 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.425 -6.007 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.467 -7.119 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 89 12.518 -7.231 -3.922 1.00 0.00 H new ATOM 1414 N LEU A 90 13.844 -7.371 3.671 1.00 0.00 N ATOM 1415 CA LEU A 90 15.263 -7.388 4.001 1.00 0.00 C ATOM 1416 C LEU A 90 15.585 -8.737 4.626 1.00 0.00 C ATOM 1417 O LEU A 90 16.676 -9.280 4.464 1.00 0.00 O ATOM 1418 CB LEU A 90 15.601 -6.220 4.956 1.00 0.00 C ATOM 1419 CG LEU A 90 16.458 -6.549 6.196 1.00 0.00 C ATOM 1420 CD1 LEU A 90 15.674 -7.395 7.190 1.00 0.00 C ATOM 1421 CD2 LEU A 90 17.757 -7.242 5.802 1.00 0.00 C ATOM 0 H LEU A 90 13.324 -6.589 4.070 1.00 0.00 H new ATOM 0 HA LEU A 90 15.870 -7.254 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.119 -5.453 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.664 -5.782 5.300 1.00 0.00 H new ATOM 0 HG LEU A 90 16.716 -5.607 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.300 -7.613 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.787 -6.849 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.373 -8.329 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.339 -7.461 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.530 -8.172 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 90 18.333 -6.590 5.146 1.00 0.00 H new ATOM 1433 N ASP A 91 14.591 -9.278 5.319 1.00 0.00 N ATOM 1434 CA ASP A 91 14.720 -10.572 5.956 1.00 0.00 C ATOM 1435 C ASP A 91 14.786 -11.657 4.898 1.00 0.00 C ATOM 1436 O ASP A 91 15.498 -12.649 5.057 1.00 0.00 O ATOM 1437 CB ASP A 91 13.547 -10.826 6.903 1.00 0.00 C ATOM 1438 CG ASP A 91 13.823 -11.957 7.875 1.00 0.00 C ATOM 1439 OD1 ASP A 91 13.835 -13.126 7.436 1.00 0.00 O ATOM 1440 OD2 ASP A 91 14.026 -11.673 9.074 1.00 0.00 O ATOM 0 H ASP A 91 13.683 -8.833 5.452 1.00 0.00 H new ATOM 0 HA ASP A 91 15.639 -10.586 6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.331 -9.915 7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.657 -11.061 6.320 1.00 0.00 H new ATOM 1445 N GLU A 92 14.055 -11.457 3.800 1.00 0.00 N ATOM 1446 CA GLU A 92 14.066 -12.425 2.718 1.00 0.00 C ATOM 1447 C GLU A 92 15.488 -12.617 2.227 1.00 0.00 C ATOM 1448 O GLU A 92 15.997 -13.737 2.218 1.00 0.00 O ATOM 1449 CB GLU A 92 13.178 -11.972 1.566 1.00 0.00 C ATOM 1450 CG GLU A 92 12.880 -13.074 0.563 1.00 0.00 C ATOM 1451 CD GLU A 92 11.556 -13.762 0.826 1.00 0.00 C ATOM 1452 OE1 GLU A 92 11.172 -13.879 2.008 1.00 0.00 O ATOM 1453 OE2 GLU A 92 10.906 -14.189 -0.152 1.00 0.00 O ATOM 0 H GLU A 92 13.459 -10.644 3.643 1.00 0.00 H new ATOM 0 HA GLU A 92 13.674 -13.370 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.238 -11.594 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.661 -11.142 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.872 -12.652 -0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.681 -13.813 0.593 1.00 0.00 H new ATOM 1460 N LYS A 93 16.141 -11.516 1.834 1.00 0.00 N ATOM 1461 CA LYS A 93 17.530 -11.600 1.360 1.00 0.00 C ATOM 1462 C LYS A 93 18.005 -10.323 0.667 1.00 0.00 C ATOM 1463 O LYS A 93 18.827 -10.388 -0.246 1.00 0.00 O ATOM 1464 CB LYS A 93 17.696 -12.784 0.400 1.00 0.00 C ATOM 1465 CG LYS A 93 18.561 -13.904 0.956 1.00 0.00 C ATOM 1466 CD LYS A 93 19.136 -14.769 -0.154 1.00 0.00 C ATOM 1467 CE LYS A 93 20.301 -15.612 0.341 1.00 0.00 C ATOM 1468 NZ LYS A 93 21.612 -15.070 -0.112 1.00 0.00 N ATOM 0 H LYS A 93 15.743 -10.577 1.833 1.00 0.00 H new ATOM 0 HA LYS A 93 18.147 -11.741 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.712 -13.184 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.134 -12.426 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.374 -13.479 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.968 -14.522 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.357 -15.420 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.468 -14.135 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.282 -15.653 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.187 -16.635 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.380 -15.673 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.641 -15.054 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.733 -14.103 0.252 1.00 0.00 H new ATOM 1482 N LYS A 94 17.516 -9.163 1.097 1.00 0.00 N ATOM 1483 CA LYS A 94 17.947 -7.903 0.482 1.00 0.00 C ATOM 1484 C LYS A 94 17.161 -6.702 0.997 1.00 0.00 C ATOM 1485 O LYS A 94 15.932 -6.714 1.026 1.00 0.00 O ATOM 1486 CB LYS A 94 17.821 -7.982 -1.043 1.00 0.00 C ATOM 1487 CG LYS A 94 19.160 -8.010 -1.760 1.00 0.00 C ATOM 1488 CD LYS A 94 19.783 -6.624 -1.829 1.00 0.00 C ATOM 1489 CE LYS A 94 18.994 -5.704 -2.746 1.00 0.00 C ATOM 1490 NZ LYS A 94 19.886 -4.873 -3.601 1.00 0.00 N ATOM 0 H LYS A 94 16.836 -9.065 1.851 1.00 0.00 H new ATOM 0 HA LYS A 94 18.991 -7.759 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 94 17.257 -8.877 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.246 -7.127 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.837 -8.689 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.026 -8.401 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.826 -6.193 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.810 -6.703 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.336 -6.300 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.357 -5.054 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.309 -4.260 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.496 -4.286 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.476 -5.493 -4.192 1.00 0.00 H new ATOM 1504 N GLU A 95 17.890 -5.651 1.374 1.00 0.00 N ATOM 1505 CA GLU A 95 17.275 -4.422 1.862 1.00 0.00 C ATOM 1506 C GLU A 95 17.118 -3.419 0.725 1.00 0.00 C ATOM 1507 O GLU A 95 18.108 -2.913 0.193 1.00 0.00 O ATOM 1508 CB GLU A 95 18.119 -3.797 2.975 1.00 0.00 C ATOM 1509 CG GLU A 95 18.579 -4.788 4.027 1.00 0.00 C ATOM 1510 CD GLU A 95 18.388 -4.268 5.440 1.00 0.00 C ATOM 1511 OE1 GLU A 95 17.312 -3.701 5.724 1.00 0.00 O ATOM 1512 OE2 GLU A 95 19.315 -4.427 6.261 1.00 0.00 O ATOM 0 H GLU A 95 18.909 -5.629 1.350 1.00 0.00 H new ATOM 0 HA GLU A 95 16.293 -4.675 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.993 -3.321 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.540 -3.011 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.027 -5.720 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.632 -5.019 3.868 1.00 0.00 H new ATOM 1519 N ASP A 96 15.877 -3.129 0.359 1.00 0.00 N ATOM 1520 CA ASP A 96 15.605 -2.180 -0.713 1.00 0.00 C ATOM 1521 C ASP A 96 14.116 -1.877 -0.806 1.00 0.00 C ATOM 1522 O ASP A 96 13.323 -2.337 0.017 1.00 0.00 O ATOM 1523 CB ASP A 96 16.115 -2.720 -2.050 1.00 0.00 C ATOM 1524 CG ASP A 96 15.454 -4.026 -2.440 1.00 0.00 C ATOM 1525 OD1 ASP A 96 14.239 -4.013 -2.732 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.150 -5.062 -2.455 1.00 0.00 O ATOM 0 H ASP A 96 15.045 -3.535 0.787 1.00 0.00 H new ATOM 0 HA ASP A 96 16.132 -1.254 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.936 -1.979 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.194 -2.866 -1.991 1.00 0.00 H new ATOM 1531 N THR A 97 13.742 -1.096 -1.811 1.00 0.00 N ATOM 1532 CA THR A 97 12.350 -0.724 -2.013 1.00 0.00 C ATOM 1533 C THR A 97 11.853 -1.195 -3.375 1.00 0.00 C ATOM 1534 O THR A 97 10.870 -1.930 -3.468 1.00 0.00 O ATOM 1535 CB THR A 97 12.190 0.793 -1.894 1.00 0.00 C ATOM 1536 OG1 THR A 97 13.410 1.450 -2.182 1.00 0.00 O ATOM 1537 CG2 THR A 97 11.744 1.243 -0.520 1.00 0.00 C ATOM 0 H THR A 97 14.386 -0.708 -2.500 1.00 0.00 H new ATOM 0 HA THR A 97 11.751 -1.210 -1.243 1.00 0.00 H new ATOM 0 HB THR A 97 11.417 1.057 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.287 2.419 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.650 2.329 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.780 0.793 -0.285 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.480 0.932 0.221 1.00 0.00 H new ATOM 1545 N GLY A 98 12.537 -0.763 -4.429 1.00 0.00 N ATOM 1546 CA GLY A 98 12.146 -1.145 -5.774 1.00 0.00 C ATOM 1547 C GLY A 98 11.201 -0.143 -6.406 1.00 0.00 C ATOM 1548 O GLY A 98 11.301 0.151 -7.597 1.00 0.00 O ATOM 0 H GLY A 98 13.355 -0.156 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.037 -1.242 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.668 -2.124 -5.746 1.00 0.00 H new ATOM 1552 N ILE A 99 10.285 0.384 -5.603 1.00 0.00 N ATOM 1553 CA ILE A 99 9.317 1.364 -6.079 1.00 0.00 C ATOM 1554 C ILE A 99 9.989 2.672 -6.448 1.00 0.00 C ATOM 1555 O ILE A 99 10.878 3.148 -5.742 1.00 0.00 O ATOM 1556 CB ILE A 99 8.245 1.679 -5.016 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.893 2.249 -3.740 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.416 0.448 -4.706 1.00 0.00 C ATOM 1559 CD1 ILE A 99 8.990 1.267 -2.590 1.00 0.00 C ATOM 0 H ILE A 99 10.192 0.148 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 99 8.849 0.916 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 99 7.576 2.439 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.895 2.603 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.319 3.116 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.667 0.694 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.920 0.105 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.065 -0.342 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.458 1.754 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.991 0.930 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.591 0.410 -2.893 1.00 0.00 H new ATOM 1571 N LYS A 100 9.530 3.277 -7.530 1.00 0.00 N ATOM 1572 CA LYS A 100 10.062 4.562 -7.944 1.00 0.00 C ATOM 1573 C LYS A 100 9.837 5.562 -6.815 1.00 0.00 C ATOM 1574 O LYS A 100 10.649 6.459 -6.588 1.00 0.00 O ATOM 1575 CB LYS A 100 9.379 5.043 -9.226 1.00 0.00 C ATOM 1576 CG LYS A 100 10.301 5.821 -10.149 1.00 0.00 C ATOM 1577 CD LYS A 100 9.517 6.748 -11.065 1.00 0.00 C ATOM 1578 CE LYS A 100 9.579 8.190 -10.584 1.00 0.00 C ATOM 1579 NZ LYS A 100 8.220 8.761 -10.367 1.00 0.00 N ATOM 0 H LYS A 100 8.797 2.903 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 100 11.128 4.468 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.984 4.181 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.528 5.671 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.005 6.404 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.889 5.126 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.916 6.684 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.478 6.423 -11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.146 8.239 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.114 8.794 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.305 9.745 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.687 8.738 -11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.718 8.200 -9.650 1.00 0.00 H new ATOM 1593 N ASN A 101 8.727 5.373 -6.093 1.00 0.00 N ATOM 1594 CA ASN A 101 8.391 6.229 -4.964 1.00 0.00 C ATOM 1595 C ASN A 101 7.513 5.495 -3.943 1.00 0.00 C ATOM 1596 O ASN A 101 6.435 5.000 -4.270 1.00 0.00 O ATOM 1597 CB ASN A 101 7.675 7.490 -5.455 1.00 0.00 C ATOM 1598 CG ASN A 101 8.479 8.750 -5.195 1.00 0.00 C ATOM 1599 OD1 ASN A 101 9.694 8.697 -5.008 1.00 0.00 O ATOM 1600 ND2 ASN A 101 7.803 9.893 -5.183 1.00 0.00 N ATOM 0 H ASN A 101 8.049 4.633 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 101 9.321 6.508 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.480 7.401 -6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.707 7.571 -4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 101 8.291 10.772 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.796 9.891 -5.343 1.00 0.00 H new ATOM 1607 N ILE A 102 7.988 5.456 -2.699 1.00 0.00 N ATOM 1608 CA ILE A 102 7.268 4.818 -1.600 1.00 0.00 C ATOM 1609 C ILE A 102 6.459 5.864 -0.826 1.00 0.00 C ATOM 1610 O ILE A 102 7.007 6.861 -0.355 1.00 0.00 O ATOM 1611 CB ILE A 102 8.243 4.099 -0.643 1.00 0.00 C ATOM 1612 CG1 ILE A 102 7.488 3.471 0.530 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.310 5.065 -0.142 1.00 0.00 C ATOM 1614 CD1 ILE A 102 8.200 2.282 1.139 1.00 0.00 C ATOM 0 H ILE A 102 8.881 5.865 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 102 6.591 4.076 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 102 8.736 3.299 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.336 4.227 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.500 3.158 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.988 4.541 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.872 5.458 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.834 5.888 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.608 1.887 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.329 1.508 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.177 2.593 1.509 1.00 0.00 H new ATOM 1626 N MET A 103 5.151 5.647 -0.729 1.00 0.00 N ATOM 1627 CA MET A 103 4.262 6.586 -0.048 1.00 0.00 C ATOM 1628 C MET A 103 3.171 5.868 0.752 1.00 0.00 C ATOM 1629 O MET A 103 3.036 4.651 0.680 1.00 0.00 O ATOM 1630 CB MET A 103 3.624 7.537 -1.062 1.00 0.00 C ATOM 1631 CG MET A 103 4.621 8.482 -1.717 1.00 0.00 C ATOM 1632 SD MET A 103 3.996 10.168 -1.862 1.00 0.00 S ATOM 1633 CE MET A 103 4.890 10.738 -3.306 1.00 0.00 C ATOM 0 H MET A 103 4.681 4.828 -1.114 1.00 0.00 H new ATOM 0 HA MET A 103 4.868 7.155 0.657 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.128 6.951 -1.836 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.853 8.124 -0.563 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.543 8.490 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 103 4.873 8.106 -2.709 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.473 11.688 -3.640 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.942 10.872 -3.053 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.799 10.001 -4.104 1.00 0.00 H new ATOM 1643 N ILE A 104 2.399 6.640 1.519 1.00 0.00 N ATOM 1644 CA ILE A 104 1.318 6.070 2.321 1.00 0.00 C ATOM 1645 C ILE A 104 -0.041 6.491 1.752 1.00 0.00 C ATOM 1646 O ILE A 104 -0.169 7.533 1.110 1.00 0.00 O ATOM 1647 CB ILE A 104 1.416 6.452 3.826 1.00 0.00 C ATOM 1648 CG1 ILE A 104 0.517 7.647 4.171 1.00 0.00 C ATOM 1649 CG2 ILE A 104 2.857 6.750 4.214 1.00 0.00 C ATOM 1650 CD1 ILE A 104 -0.925 7.274 4.433 1.00 0.00 C ATOM 0 H ILE A 104 2.501 7.652 1.601 1.00 0.00 H new ATOM 0 HA ILE A 104 1.418 4.986 2.265 1.00 0.00 H new ATOM 0 HB ILE A 104 1.065 5.594 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.918 8.148 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.553 8.365 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.902 7.015 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.472 5.868 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.231 7.581 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.496 8.172 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.345 6.800 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.975 6.581 5.273 1.00 0.00 H new ATOM 1662 N LEU A 105 -1.034 5.624 1.957 1.00 0.00 N ATOM 1663 CA LEU A 105 -2.384 5.834 1.433 1.00 0.00 C ATOM 1664 C LEU A 105 -3.153 6.920 2.174 1.00 0.00 C ATOM 1665 O LEU A 105 -3.395 6.825 3.376 1.00 0.00 O ATOM 1666 CB LEU A 105 -3.173 4.524 1.492 1.00 0.00 C ATOM 1667 CG LEU A 105 -4.473 4.504 0.681 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -4.245 5.059 -0.717 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -5.033 3.090 0.610 1.00 0.00 C ATOM 0 H LEU A 105 -0.926 4.760 2.489 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.270 6.168 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.531 3.717 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.411 4.309 2.534 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.201 5.140 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.181 5.035 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.890 6.087 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.500 4.453 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.956 3.093 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.306 2.434 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.238 2.729 1.618 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.545 7.939 1.413 1.00 0.00 N ATOM 1682 CA GLU A 106 -4.315 9.076 1.919 1.00 0.00 C ATOM 1683 C GLU A 106 -5.499 8.625 2.791 1.00 0.00 C ATOM 1684 O GLU A 106 -5.304 7.990 3.826 1.00 0.00 O ATOM 1685 CB GLU A 106 -4.803 9.913 0.728 1.00 0.00 C ATOM 1686 CG GLU A 106 -3.711 10.260 -0.275 1.00 0.00 C ATOM 1687 CD GLU A 106 -4.165 10.092 -1.713 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -5.359 10.334 -1.992 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -3.326 9.720 -2.561 1.00 0.00 O ATOM 0 H GLU A 106 -3.335 8.001 0.417 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.669 9.680 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.594 9.367 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.244 10.836 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.391 11.290 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.843 9.626 -0.095 1.00 0.00 H new ATOM 1696 N ARG A 107 -6.728 8.962 2.381 1.00 0.00 N ATOM 1697 CA ARG A 107 -7.914 8.586 3.139 1.00 0.00 C ATOM 1698 C ARG A 107 -7.861 7.118 3.539 1.00 0.00 C ATOM 1699 O ARG A 107 -8.233 6.755 4.654 1.00 0.00 O ATOM 1700 CB ARG A 107 -9.175 8.854 2.312 1.00 0.00 C ATOM 1701 CG ARG A 107 -10.402 9.172 3.153 1.00 0.00 C ATOM 1702 CD ARG A 107 -11.408 8.030 3.131 1.00 0.00 C ATOM 1703 NE ARG A 107 -12.726 8.451 3.600 1.00 0.00 N ATOM 1704 CZ ARG A 107 -13.613 9.096 2.844 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -13.326 9.400 1.584 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -14.790 9.439 3.349 1.00 0.00 N ATOM 0 H ARG A 107 -6.920 9.492 1.531 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.943 9.190 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.984 9.686 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.385 7.981 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.098 9.370 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -10.874 10.081 2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -11.492 7.641 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.044 7.215 3.756 1.00 0.00 H new ATOM 0 HE ARG A 107 -12.982 8.238 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.422 9.140 1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.009 9.894 1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.016 9.209 4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.469 9.933 2.770 1.00 0.00 H new ATOM 1720 N GLY A 108 -7.397 6.274 2.615 1.00 0.00 N ATOM 1721 CA GLY A 108 -7.306 4.849 2.884 1.00 0.00 C ATOM 1722 C GLY A 108 -8.529 4.315 3.605 1.00 0.00 C ATOM 1723 O GLY A 108 -8.447 3.333 4.342 1.00 0.00 O ATOM 0 H GLY A 108 -7.083 6.554 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.179 4.312 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.419 4.652 3.486 1.00 0.00 H new ATOM 1727 N PHE A 109 -9.665 4.975 3.396 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.909 4.575 4.033 1.00 0.00 C ATOM 1729 C PHE A 109 -10.758 4.550 5.548 1.00 0.00 C ATOM 1730 O PHE A 109 -11.260 3.650 6.215 1.00 0.00 O ATOM 1731 CB PHE A 109 -11.346 3.207 3.515 1.00 0.00 C ATOM 1732 CG PHE A 109 -11.483 3.170 2.023 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -12.284 4.092 1.372 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -10.801 2.228 1.271 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -12.407 4.075 -0.003 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -10.917 2.208 -0.106 1.00 0.00 C ATOM 1737 CZ PHE A 109 -11.721 3.133 -0.742 1.00 0.00 C ATOM 0 H PHE A 109 -9.746 5.790 2.789 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.677 5.307 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.621 2.456 3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -12.299 2.938 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -12.819 4.834 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -10.172 1.502 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -13.039 4.797 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -10.380 1.470 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.813 3.119 -1.818 1.00 0.00 H new ATOM 1747 N ASN A 110 -10.059 5.544 6.088 1.00 0.00 N ATOM 1748 CA ASN A 110 -9.853 5.626 7.527 1.00 0.00 C ATOM 1749 C ASN A 110 -11.169 5.895 8.246 1.00 0.00 C ATOM 1750 O ASN A 110 -11.532 5.190 9.181 1.00 0.00 O ATOM 1751 CB ASN A 110 -8.825 6.711 7.865 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.295 8.103 7.483 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -10.085 8.720 8.197 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -8.810 8.603 6.352 1.00 0.00 N ATOM 0 H ASN A 110 -9.629 6.299 5.553 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.466 4.667 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.613 6.684 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.890 6.493 7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.091 9.534 6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.157 8.056 5.791 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.888 6.910 7.787 1.00 0.00 N ATOM 1762 CA GLY A 111 -13.163 7.246 8.369 1.00 0.00 C ATOM 1763 C GLY A 111 -14.202 6.186 8.097 1.00 0.00 C ATOM 1764 O GLY A 111 -15.061 5.925 8.929 1.00 0.00 O ATOM 0 H GLY A 111 -11.603 7.510 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.048 7.374 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.505 8.201 7.969 1.00 0.00 H new ATOM 1768 N TRP A 112 -14.125 5.585 6.912 1.00 0.00 N ATOM 1769 CA TRP A 112 -15.074 4.551 6.511 1.00 0.00 C ATOM 1770 C TRP A 112 -14.910 3.298 7.366 1.00 0.00 C ATOM 1771 O TRP A 112 -15.870 2.805 7.956 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.860 4.222 5.028 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.773 3.167 4.472 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.578 2.306 5.163 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -15.962 2.860 3.087 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -17.245 1.483 4.295 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -16.888 1.804 3.014 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -15.434 3.379 1.903 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -17.297 1.257 1.801 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -15.841 2.837 0.700 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -16.765 1.784 0.656 1.00 0.00 C ATOM 0 H TRP A 112 -13.414 5.797 6.212 1.00 0.00 H new ATOM 0 HA TRP A 112 -16.088 4.921 6.660 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.989 5.135 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.829 3.898 4.889 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.674 2.278 6.238 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.902 0.749 4.561 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -14.720 4.189 1.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -18.009 0.446 1.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -15.441 3.231 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -17.063 1.381 -0.301 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.685 2.800 7.446 1.00 0.00 N ATOM 1793 CA GLU A 113 -13.402 1.617 8.245 1.00 0.00 C ATOM 1794 C GLU A 113 -13.605 1.935 9.719 1.00 0.00 C ATOM 1795 O GLU A 113 -14.304 1.219 10.435 1.00 0.00 O ATOM 1796 CB GLU A 113 -11.970 1.134 7.998 1.00 0.00 C ATOM 1797 CG GLU A 113 -11.653 -0.196 8.663 1.00 0.00 C ATOM 1798 CD GLU A 113 -11.391 -0.058 10.150 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -10.506 0.740 10.525 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -12.069 -0.750 10.939 1.00 0.00 O ATOM 0 H GLU A 113 -12.874 3.195 6.970 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.087 0.820 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.807 1.042 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.273 1.888 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.485 -0.883 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.780 -0.638 8.184 1.00 0.00 H new ATOM 1807 N ALA A 114 -12.995 3.032 10.153 1.00 0.00 N ATOM 1808 CA ALA A 114 -13.107 3.482 11.531 1.00 0.00 C ATOM 1809 C ALA A 114 -14.559 3.796 11.862 1.00 0.00 C ATOM 1810 O ALA A 114 -15.032 3.501 12.960 1.00 0.00 O ATOM 1811 CB ALA A 114 -12.230 4.702 11.766 1.00 0.00 C ATOM 0 H ALA A 114 -12.414 3.628 9.564 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.764 2.683 12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.326 5.025 12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.190 4.448 11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.544 5.509 11.104 1.00 0.00 H new ATOM 1817 N SER A 115 -15.268 4.388 10.897 1.00 0.00 N ATOM 1818 CA SER A 115 -16.685 4.733 11.081 1.00 0.00 C ATOM 1819 C SER A 115 -17.444 3.615 11.791 1.00 0.00 C ATOM 1820 O SER A 115 -18.439 3.862 12.472 1.00 0.00 O ATOM 1821 CB SER A 115 -17.352 5.020 9.733 1.00 0.00 C ATOM 1822 OG SER A 115 -17.427 6.415 9.489 1.00 0.00 O ATOM 0 H SER A 115 -14.889 4.638 9.984 1.00 0.00 H new ATOM 0 HA SER A 115 -16.721 5.628 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.788 4.537 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 115 -18.354 4.591 9.720 1.00 0.00 H new ATOM 0 HG SER A 115 -16.546 6.748 9.218 1.00 0.00 H new ATOM 1828 N GLY A 116 -16.975 2.385 11.616 1.00 0.00 N ATOM 1829 CA GLY A 116 -17.627 1.249 12.231 1.00 0.00 C ATOM 1830 C GLY A 116 -18.292 0.366 11.200 1.00 0.00 C ATOM 1831 O GLY A 116 -18.505 -0.824 11.431 1.00 0.00 O ATOM 0 H GLY A 116 -16.153 2.156 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -16.895 0.668 12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.371 1.599 12.946 1.00 0.00 H new ATOM 1835 N LYS A 117 -18.615 0.956 10.053 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.256 0.218 8.969 1.00 0.00 C ATOM 1837 C LYS A 117 -18.240 -0.654 8.234 1.00 0.00 C ATOM 1838 O LYS A 117 -17.043 -0.365 8.242 1.00 0.00 O ATOM 1839 CB LYS A 117 -19.933 1.187 7.993 1.00 0.00 C ATOM 1840 CG LYS A 117 -18.959 1.959 7.118 1.00 0.00 C ATOM 1841 CD LYS A 117 -19.686 2.758 6.048 1.00 0.00 C ATOM 1842 CE LYS A 117 -20.350 1.849 5.028 1.00 0.00 C ATOM 1843 NZ LYS A 117 -21.810 1.700 5.282 1.00 0.00 N ATOM 0 H LYS A 117 -18.444 1.941 9.850 1.00 0.00 H new ATOM 0 HA LYS A 117 -20.017 -0.433 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.615 0.626 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.537 1.895 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.367 2.633 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.263 1.265 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.439 3.393 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.981 3.418 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -20.195 2.253 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -19.875 0.868 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -22.106 0.730 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -22.009 1.892 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -22.336 2.373 4.689 1.00 0.00 H new ATOM 1857 N PRO A 118 -18.701 -1.741 7.593 1.00 0.00 N ATOM 1858 CA PRO A 118 -17.825 -2.661 6.858 1.00 0.00 C ATOM 1859 C PRO A 118 -17.062 -1.975 5.726 1.00 0.00 C ATOM 1860 O PRO A 118 -17.240 -0.784 5.472 1.00 0.00 O ATOM 1861 CB PRO A 118 -18.785 -3.714 6.290 1.00 0.00 C ATOM 1862 CG PRO A 118 -20.138 -3.088 6.355 1.00 0.00 C ATOM 1863 CD PRO A 118 -20.110 -2.166 7.538 1.00 0.00 C ATOM 0 HA PRO A 118 -17.055 -3.076 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.521 -3.975 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.749 -4.634 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.359 -2.541 5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -20.913 -3.846 6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.782 -1.318 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -20.414 -2.674 8.453 1.00 0.00 H new ATOM 1871 N VAL A 119 -16.210 -2.745 5.055 1.00 0.00 N ATOM 1872 CA VAL A 119 -15.406 -2.235 3.948 1.00 0.00 C ATOM 1873 C VAL A 119 -15.369 -3.246 2.803 1.00 0.00 C ATOM 1874 O VAL A 119 -15.423 -4.453 3.035 1.00 0.00 O ATOM 1875 CB VAL A 119 -13.967 -1.915 4.399 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -13.215 -1.176 3.304 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -13.980 -1.104 5.686 1.00 0.00 C ATOM 0 H VAL A 119 -16.058 -3.732 5.261 1.00 0.00 H new ATOM 0 HA VAL A 119 -15.873 -1.313 3.602 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.449 -2.855 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.201 -0.959 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -13.174 -1.796 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.729 -0.242 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -12.956 -0.887 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.515 -0.169 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.478 -1.674 6.470 1.00 0.00 H new ATOM 1887 N CYS A 120 -15.284 -2.754 1.565 1.00 0.00 N ATOM 1888 CA CYS A 120 -15.252 -3.627 0.395 1.00 0.00 C ATOM 1889 C CYS A 120 -16.455 -4.571 0.346 1.00 0.00 C ATOM 1890 O CYS A 120 -17.450 -4.282 -0.318 1.00 0.00 O ATOM 1891 CB CYS A 120 -13.961 -4.436 0.367 1.00 0.00 C ATOM 1892 SG CYS A 120 -13.711 -5.342 -1.169 1.00 0.00 S ATOM 0 H CYS A 120 -15.236 -1.758 1.350 1.00 0.00 H new ATOM 0 HA CYS A 120 -15.298 -2.983 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -13.117 -3.764 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.966 -5.141 1.198 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.857 -4.706 -1.914 1.00 0.00 H new ATOM 1897 N ARG A 121 -16.355 -5.710 1.034 1.00 0.00 N ATOM 1898 CA ARG A 121 -17.428 -6.695 1.043 1.00 0.00 C ATOM 1899 C ARG A 121 -17.557 -7.345 -0.331 1.00 0.00 C ATOM 1900 O ARG A 121 -18.653 -7.703 -0.762 1.00 0.00 O ATOM 1901 CB ARG A 121 -18.752 -6.042 1.448 1.00 0.00 C ATOM 1902 CG ARG A 121 -18.625 -5.134 2.659 1.00 0.00 C ATOM 1903 CD ARG A 121 -19.695 -4.054 2.664 1.00 0.00 C ATOM 1904 NE ARG A 121 -19.316 -2.904 1.847 1.00 0.00 N ATOM 1905 CZ ARG A 121 -20.147 -1.912 1.533 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -21.401 -1.925 1.968 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -19.722 -0.904 0.783 1.00 0.00 N ATOM 0 H ARG A 121 -15.541 -5.969 1.591 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.186 -7.466 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.137 -5.464 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.484 -6.821 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.703 -5.728 3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.639 -4.670 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.631 -4.470 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.876 -3.727 3.688 1.00 0.00 H new ATOM 0 HE ARG A 121 -18.359 -2.858 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.732 -2.697 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.033 -1.163 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -18.759 -0.889 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -20.358 -0.144 0.542 1.00 0.00 H new ATOM 1921 N CYS A 122 -16.424 -7.483 -1.016 1.00 0.00 N ATOM 1922 CA CYS A 122 -16.403 -8.082 -2.348 1.00 0.00 C ATOM 1923 C CYS A 122 -16.211 -9.588 -2.285 1.00 0.00 C ATOM 1924 O CYS A 122 -16.450 -10.228 -1.261 1.00 0.00 O ATOM 1925 CB CYS A 122 -15.290 -7.474 -3.214 1.00 0.00 C ATOM 1926 SG CYS A 122 -13.623 -8.100 -2.868 1.00 0.00 S ATOM 0 H CYS A 122 -15.510 -7.189 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 122 -17.372 -7.868 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -15.522 -7.662 -4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.292 -6.393 -3.076 1.00 0.00 H new ATOM 0 HG CYS A 122 -13.006 -7.275 -2.075 1.00 0.00 H new ATOM 1931 N ALA A 123 -15.767 -10.128 -3.411 1.00 0.00 N ATOM 1932 CA ALA A 123 -15.511 -11.558 -3.553 1.00 0.00 C ATOM 1933 C ALA A 123 -15.379 -11.942 -5.024 1.00 0.00 C ATOM 1934 O ALA A 123 -15.730 -13.056 -5.413 1.00 0.00 O ATOM 1935 CB ALA A 123 -16.624 -12.363 -2.902 1.00 0.00 C ATOM 0 H ALA A 123 -15.573 -9.588 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 123 -14.571 -11.785 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -16.418 -13.427 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -16.679 -12.116 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -17.574 -12.124 -3.380 1.00 0.00 H new ATOM 1941 N GLU A 124 -14.883 -11.014 -5.844 1.00 0.00 N ATOM 1942 CA GLU A 124 -14.724 -11.266 -7.273 1.00 0.00 C ATOM 1943 C GLU A 124 -14.248 -10.016 -8.010 1.00 0.00 C ATOM 1944 O GLU A 124 -13.851 -9.026 -7.395 1.00 0.00 O ATOM 1945 CB GLU A 124 -16.048 -11.752 -7.888 1.00 0.00 C ATOM 1946 CG GLU A 124 -17.291 -11.351 -7.106 1.00 0.00 C ATOM 1947 CD GLU A 124 -18.512 -11.192 -7.992 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -18.474 -11.665 -9.147 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -19.507 -10.593 -7.531 1.00 0.00 O ATOM 0 H GLU A 124 -14.586 -10.086 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 124 -13.967 -12.043 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -16.129 -11.359 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -16.019 -12.839 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -17.495 -12.104 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -17.101 -10.413 -6.584 1.00 0.00 H new ATOM 1956 N VAL A 125 -14.297 -10.081 -9.339 1.00 0.00 N ATOM 1957 CA VAL A 125 -13.878 -8.966 -10.198 1.00 0.00 C ATOM 1958 C VAL A 125 -14.382 -7.612 -9.683 1.00 0.00 C ATOM 1959 O VAL A 125 -13.622 -6.644 -9.654 1.00 0.00 O ATOM 1960 CB VAL A 125 -14.334 -9.138 -11.673 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -13.126 -9.259 -12.590 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -15.257 -10.339 -11.849 1.00 0.00 C ATOM 0 H VAL A 125 -14.625 -10.900 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 125 -12.789 -8.981 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 125 -14.901 -8.248 -11.945 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.462 -9.379 -13.620 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.516 -8.359 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.533 -10.126 -12.298 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -15.551 -10.421 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -14.735 -11.247 -11.546 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -16.146 -10.209 -11.231 1.00 0.00 H new ATOM 1972 N PRO A 126 -15.673 -7.511 -9.284 1.00 0.00 N ATOM 1973 CA PRO A 126 -16.259 -6.260 -8.787 1.00 0.00 C ATOM 1974 C PRO A 126 -15.301 -5.415 -7.946 1.00 0.00 C ATOM 1975 O PRO A 126 -15.439 -4.194 -7.889 1.00 0.00 O ATOM 1976 CB PRO A 126 -17.425 -6.761 -7.944 1.00 0.00 C ATOM 1977 CG PRO A 126 -17.904 -7.963 -8.681 1.00 0.00 C ATOM 1978 CD PRO A 126 -16.680 -8.597 -9.298 1.00 0.00 C ATOM 0 HA PRO A 126 -16.536 -5.591 -9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -17.108 -7.012 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -18.208 -6.008 -7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -18.404 -8.658 -8.007 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -18.627 -7.686 -9.448 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.345 -9.461 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -16.878 -8.946 -10.312 1.00 0.00 H new ATOM 1986 N CYS A 127 -14.329 -6.058 -7.298 1.00 0.00 N ATOM 1987 CA CYS A 127 -13.361 -5.333 -6.478 1.00 0.00 C ATOM 1988 C CYS A 127 -12.555 -4.356 -7.334 1.00 0.00 C ATOM 1989 O CYS A 127 -11.425 -4.641 -7.732 1.00 0.00 O ATOM 1990 CB CYS A 127 -12.424 -6.308 -5.762 1.00 0.00 C ATOM 1991 SG CYS A 127 -11.598 -5.606 -4.317 1.00 0.00 S ATOM 0 H CYS A 127 -14.192 -7.068 -7.325 1.00 0.00 H new ATOM 0 HA CYS A 127 -13.910 -4.765 -5.727 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -12.995 -7.183 -5.452 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -11.668 -6.654 -6.467 1.00 0.00 H new ATOM 0 HG CYS A 127 -11.969 -6.249 -3.250 1.00 0.00 H new ATOM 1996 N LYS A 128 -13.158 -3.204 -7.613 1.00 0.00 N ATOM 1997 CA LYS A 128 -12.541 -2.163 -8.417 1.00 0.00 C ATOM 1998 C LYS A 128 -11.447 -1.468 -7.672 1.00 0.00 C ATOM 1999 O LYS A 128 -11.432 -1.466 -6.447 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.567 -1.051 -8.729 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.374 -1.271 -10.000 1.00 0.00 C ATOM 2002 CD LYS A 128 -14.938 -2.681 -10.090 1.00 0.00 C ATOM 2003 CE LYS A 128 -15.121 -3.114 -11.536 1.00 0.00 C ATOM 2004 NZ LYS A 128 -13.850 -3.614 -12.132 1.00 0.00 N ATOM 0 H LYS A 128 -14.094 -2.969 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 128 -12.165 -2.657 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -14.255 -0.964 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.040 -0.101 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -15.192 -0.552 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -13.742 -1.079 -10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -14.268 -3.375 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -15.896 -2.725 -9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.878 -3.896 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -15.491 -2.273 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -14.017 -3.899 -13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -13.134 -2.860 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -13.510 -4.433 -11.588 1.00 0.00 H new ATOM 2018 N GLY A 129 -10.663 -0.716 -8.422 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.709 0.184 -7.810 1.00 0.00 C ATOM 2020 C GLY A 129 -10.582 1.360 -7.472 1.00 0.00 C ATOM 2021 O GLY A 129 -10.423 2.467 -7.987 1.00 0.00 O ATOM 0 H GLY A 129 -10.668 -0.711 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.245 -0.250 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.903 0.454 -8.493 1.00 0.00 H new