USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=31 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 8 SER OG : rot 180:sc= -0.119 USER MOD Set 1.2: A 101 ASN : amide:sc= -0.0273 X(o=-0.18,f=-0.2) USER MOD Set 1.3: A 103 MET CE :methyl 151:sc= -0.0289 (180deg=-0.061) USER MOD Set 2.1: A 46 TYR OH : rot 180:sc= -1.28 USER MOD Set 2.2: A 88 ASN : amide:sc= -13.6! C(o=-15!,f=-22!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -0.167 K(o=-3.5,f=-6) USER MOD Set 3.2: A 120 CYS SG : rot 85:sc= 0.338 USER MOD Set 3.3: A 122 CYS SG : rot -71:sc= -1.1 USER MOD Set 3.4: A 127 CYS SG : rot -166:sc= -2.61 USER MOD Set 4.1: A 23 ASN : amide:sc= -3.18 K(o=-6.8,f=-9.1!) USER MOD Set 4.2: A 67 THR OG1 : rot 117:sc= -3.66! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.144 (180deg=-0.339) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.403 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 14 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.12) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.193 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -0.703 F(o=-3,f=-0.7) USER MOD Single : A 48 SER OG : rot -44:sc= 1.14 USER MOD Single : A 50 SER OG : rot -91:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0316) USER MOD Single : A 56 SER OG : rot -10:sc= -5.7! USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -2.33 F(o=-4.1,f=-2.3) USER MOD Single : A 61 ASN : amide:sc= -16.2! C(o=-16!,f=-16!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0326) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -0.0199 (180deg=-0.0199) USER MOD Single : A 71 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-4.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.304 USER MOD Single : A 75 SER OG : rot 90:sc= -0.509 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.815 F(o=-1.7!,f=-0.81) USER MOD Single : A 81 THR OG1 : rot -170:sc= -1.03 USER MOD Single : A 82 CYS SG : rot 49:sc= -0.894 USER MOD Single : A 89 TYR OH : rot 114:sc= -0.289! 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= -0.735 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -2.92 K(o=-2.9,f=-5.2!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.561 22.917 3.314 1.00 0.00 N ATOM 2 CA MET A 1 9.289 23.403 4.693 1.00 0.00 C ATOM 3 C MET A 1 9.275 22.257 5.704 1.00 0.00 C ATOM 4 O MET A 1 9.073 22.479 6.899 1.00 0.00 O ATOM 5 CB MET A 1 7.937 24.121 4.696 1.00 0.00 C ATOM 6 CG MET A 1 6.774 23.231 4.287 1.00 0.00 C ATOM 7 SD MET A 1 5.183 24.073 4.399 1.00 0.00 S ATOM 8 CE MET A 1 4.642 23.556 6.027 1.00 0.00 C ATOM 0 H1 MET A 1 9.429 23.697 2.639 1.00 0.00 H new ATOM 0 H2 MET A 1 10.539 22.569 3.255 1.00 0.00 H new ATOM 0 H3 MET A 1 8.905 22.144 3.082 1.00 0.00 H new ATOM 0 HA MET A 1 10.086 24.085 4.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.747 24.517 5.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.986 24.974 4.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.927 22.886 3.264 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.758 22.346 4.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.669 23.996 6.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.563 22.469 6.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.364 23.888 6.773 1.00 0.00 H new ATOM 18 N ALA A 2 9.488 21.032 5.226 1.00 0.00 N ATOM 19 CA ALA A 2 9.496 19.865 6.102 1.00 0.00 C ATOM 20 C ALA A 2 10.055 18.641 5.385 1.00 0.00 C ATOM 21 O ALA A 2 9.859 18.471 4.181 1.00 0.00 O ATOM 22 CB ALA A 2 8.092 19.584 6.615 1.00 0.00 C ATOM 0 H ALA A 2 9.656 20.824 4.242 1.00 0.00 H new ATOM 0 HA ALA A 2 10.146 20.082 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.111 18.711 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.729 20.447 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.428 19.392 5.772 1.00 0.00 H new ATOM 28 N MET A 3 10.750 17.790 6.133 1.00 0.00 N ATOM 29 CA MET A 3 11.338 16.579 5.569 1.00 0.00 C ATOM 30 C MET A 3 11.287 15.433 6.575 1.00 0.00 C ATOM 31 O MET A 3 11.369 15.651 7.784 1.00 0.00 O ATOM 32 CB MET A 3 12.786 16.838 5.149 1.00 0.00 C ATOM 33 CG MET A 3 13.292 15.879 4.083 1.00 0.00 C ATOM 34 SD MET A 3 13.230 16.587 2.426 1.00 0.00 S ATOM 35 CE MET A 3 12.161 15.414 1.597 1.00 0.00 C ATOM 0 H MET A 3 10.920 17.916 7.131 1.00 0.00 H new ATOM 0 HA MET A 3 10.757 16.297 4.691 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.870 17.859 4.777 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.429 16.765 6.026 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.318 15.594 4.314 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.695 14.967 4.107 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.026 15.716 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.613 14.423 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.192 15.388 2.096 1.00 0.00 H new ATOM 45 N ALA A 4 11.149 14.213 6.069 1.00 0.00 N ATOM 46 CA ALA A 4 11.086 13.034 6.925 1.00 0.00 C ATOM 47 C ALA A 4 11.699 11.819 6.235 1.00 0.00 C ATOM 48 O ALA A 4 11.006 10.844 5.942 1.00 0.00 O ATOM 49 CB ALA A 4 9.644 12.751 7.321 1.00 0.00 C ATOM 0 H ALA A 4 11.079 14.014 5.071 1.00 0.00 H new ATOM 0 HA ALA A 4 11.667 13.235 7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.609 11.869 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.240 13.607 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.049 12.574 6.425 1.00 0.00 H new ATOM 55 N ARG A 5 13.006 11.886 5.979 1.00 0.00 N ATOM 56 CA ARG A 5 13.728 10.793 5.325 1.00 0.00 C ATOM 57 C ARG A 5 12.946 10.249 4.130 1.00 0.00 C ATOM 58 O ARG A 5 11.972 10.856 3.685 1.00 0.00 O ATOM 59 CB ARG A 5 14.013 9.670 6.328 1.00 0.00 C ATOM 60 CG ARG A 5 12.763 8.964 6.832 1.00 0.00 C ATOM 61 CD ARG A 5 13.107 7.785 7.729 1.00 0.00 C ATOM 62 NE ARG A 5 12.582 7.958 9.082 1.00 0.00 N ATOM 63 CZ ARG A 5 11.285 7.931 9.383 1.00 0.00 C ATOM 64 NH1 ARG A 5 10.381 7.731 8.432 1.00 0.00 N ATOM 65 NH2 ARG A 5 10.891 8.103 10.637 1.00 0.00 N ATOM 0 H ARG A 5 13.589 12.689 6.216 1.00 0.00 H new ATOM 0 HA ARG A 5 14.674 11.189 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.670 8.936 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.553 10.084 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.142 9.671 7.382 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.174 8.616 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.702 6.870 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.190 7.665 7.772 1.00 0.00 H new ATOM 0 HE ARG A 5 13.248 8.108 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.679 7.597 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.389 7.711 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.581 8.256 11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.897 8.082 10.867 1.00 0.00 H new ATOM 79 N SER A 6 13.375 9.099 3.614 1.00 0.00 N ATOM 80 CA SER A 6 12.707 8.476 2.476 1.00 0.00 C ATOM 81 C SER A 6 11.222 8.283 2.770 1.00 0.00 C ATOM 82 O SER A 6 10.743 8.680 3.829 1.00 0.00 O ATOM 83 CB SER A 6 13.352 7.128 2.152 1.00 0.00 C ATOM 84 OG SER A 6 14.749 7.264 1.952 1.00 0.00 O ATOM 0 H SER A 6 14.181 8.582 3.966 1.00 0.00 H new ATOM 0 HA SER A 6 12.813 9.135 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.165 6.427 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.893 6.708 1.257 1.00 0.00 H new ATOM 0 HG SER A 6 15.137 6.388 1.748 1.00 0.00 H new ATOM 90 N ILE A 7 10.504 7.668 1.828 1.00 0.00 N ATOM 91 CA ILE A 7 9.068 7.413 1.981 1.00 0.00 C ATOM 92 C ILE A 7 8.330 8.640 2.524 1.00 0.00 C ATOM 93 O ILE A 7 8.535 9.054 3.663 1.00 0.00 O ATOM 94 CB ILE A 7 8.793 6.177 2.884 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.327 6.147 3.350 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.743 6.137 4.072 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.047 6.973 4.594 1.00 0.00 C ATOM 0 H ILE A 7 10.895 7.335 0.947 1.00 0.00 H new ATOM 0 HA ILE A 7 8.684 7.197 0.984 1.00 0.00 H new ATOM 0 HB ILE A 7 8.974 5.285 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.693 6.507 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.041 5.113 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.525 5.261 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.771 6.082 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.615 7.039 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.991 6.896 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.651 6.601 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.298 8.016 4.402 1.00 0.00 H new ATOM 109 N SER A 8 7.467 9.218 1.695 1.00 0.00 N ATOM 110 CA SER A 8 6.702 10.396 2.093 1.00 0.00 C ATOM 111 C SER A 8 5.214 10.081 2.197 1.00 0.00 C ATOM 112 O SER A 8 4.657 9.387 1.356 1.00 0.00 O ATOM 113 CB SER A 8 6.919 11.535 1.099 1.00 0.00 C ATOM 114 OG SER A 8 6.656 11.115 -0.228 1.00 0.00 O ATOM 0 H SER A 8 7.280 8.892 0.747 1.00 0.00 H new ATOM 0 HA SER A 8 7.058 10.704 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.269 12.372 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.945 11.895 1.173 1.00 0.00 H new ATOM 0 HG SER A 8 6.801 11.864 -0.843 1.00 0.00 H new ATOM 120 N TYR A 9 4.580 10.606 3.235 1.00 0.00 N ATOM 121 CA TYR A 9 3.145 10.394 3.466 1.00 0.00 C ATOM 122 C TYR A 9 2.311 11.414 2.713 1.00 0.00 C ATOM 123 O TYR A 9 2.781 12.510 2.406 1.00 0.00 O ATOM 124 CB TYR A 9 2.770 10.462 4.960 1.00 0.00 C ATOM 125 CG TYR A 9 3.793 11.136 5.844 1.00 0.00 C ATOM 126 CD1 TYR A 9 4.433 12.287 5.424 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.108 10.626 7.095 1.00 0.00 C ATOM 128 CE1 TYR A 9 5.366 12.917 6.222 1.00 0.00 C ATOM 129 CE2 TYR A 9 5.041 11.248 7.901 1.00 0.00 C ATOM 130 CZ TYR A 9 5.668 12.393 7.460 1.00 0.00 C ATOM 131 OH TYR A 9 6.598 13.017 8.261 1.00 0.00 O ATOM 0 H TYR A 9 5.034 11.187 3.940 1.00 0.00 H new ATOM 0 HA TYR A 9 2.930 9.391 3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.822 10.991 5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.608 9.448 5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.199 12.700 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.617 9.730 7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.857 13.816 5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.278 10.839 8.872 1.00 0.00 H new ATOM 0 HH TYR A 9 6.693 12.520 9.100 1.00 0.00 H new ATOM 141 N ILE A 10 1.061 11.056 2.428 1.00 0.00 N ATOM 142 CA ILE A 10 0.168 11.968 1.721 1.00 0.00 C ATOM 143 C ILE A 10 -1.116 12.193 2.517 1.00 0.00 C ATOM 144 O ILE A 10 -1.738 11.247 3.001 1.00 0.00 O ATOM 145 CB ILE A 10 -0.188 11.419 0.318 1.00 0.00 C ATOM 146 CG1 ILE A 10 1.074 11.291 -0.534 1.00 0.00 C ATOM 147 CG2 ILE A 10 -1.212 12.307 -0.379 1.00 0.00 C ATOM 148 CD1 ILE A 10 1.707 9.920 -0.473 1.00 0.00 C ATOM 0 H ILE A 10 0.649 10.155 2.672 1.00 0.00 H new ATOM 0 HA ILE A 10 0.691 12.918 1.608 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.632 10.432 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.828 11.523 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.801 12.033 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.442 11.895 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.123 12.350 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.805 13.312 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.598 9.902 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.985 9.693 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.996 9.175 -0.830 1.00 0.00 H new ATOM 160 N THR A 11 -1.503 13.461 2.640 1.00 0.00 N ATOM 161 CA THR A 11 -2.713 13.833 3.370 1.00 0.00 C ATOM 162 C THR A 11 -3.896 14.001 2.422 1.00 0.00 C ATOM 163 O THR A 11 -3.730 14.002 1.202 1.00 0.00 O ATOM 164 CB THR A 11 -2.487 15.116 4.175 1.00 0.00 C ATOM 165 OG1 THR A 11 -3.679 15.513 4.831 1.00 0.00 O ATOM 166 CG2 THR A 11 -2.019 16.278 3.333 1.00 0.00 C ATOM 0 H THR A 11 -0.994 14.250 2.242 1.00 0.00 H new ATOM 0 HA THR A 11 -2.946 13.025 4.064 1.00 0.00 H new ATOM 0 HB THR A 11 -1.703 14.871 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.514 16.333 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.879 17.154 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.074 16.022 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.765 16.498 2.570 1.00 0.00 H new ATOM 174 N SER A 12 -5.091 14.148 2.989 1.00 0.00 N ATOM 175 CA SER A 12 -6.298 14.327 2.188 1.00 0.00 C ATOM 176 C SER A 12 -6.111 15.450 1.169 1.00 0.00 C ATOM 177 O SER A 12 -6.385 15.275 -0.019 1.00 0.00 O ATOM 178 CB SER A 12 -7.494 14.637 3.092 1.00 0.00 C ATOM 179 OG SER A 12 -8.648 13.932 2.669 1.00 0.00 O ATOM 0 H SER A 12 -5.249 14.147 3.997 1.00 0.00 H new ATOM 0 HA SER A 12 -6.490 13.399 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.256 14.367 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.694 15.708 3.081 1.00 0.00 H new ATOM 0 HG SER A 12 -9.398 14.145 3.263 1.00 0.00 H new ATOM 185 N THR A 13 -5.634 16.598 1.641 1.00 0.00 N ATOM 186 CA THR A 13 -5.400 17.746 0.770 1.00 0.00 C ATOM 187 C THR A 13 -4.318 17.439 -0.248 1.00 0.00 C ATOM 188 O THR A 13 -4.402 17.858 -1.398 1.00 0.00 O ATOM 189 CB THR A 13 -5.008 18.980 1.571 1.00 0.00 C ATOM 190 OG1 THR A 13 -3.976 18.678 2.494 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.159 19.588 2.344 1.00 0.00 C ATOM 0 H THR A 13 -5.402 16.758 2.621 1.00 0.00 H new ATOM 0 HA THR A 13 -6.335 17.952 0.249 1.00 0.00 H new ATOM 0 HB THR A 13 -4.671 19.705 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.739 19.486 2.996 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.808 20.463 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.946 19.885 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.553 18.854 3.047 1.00 0.00 H new ATOM 199 N GLN A 14 -3.308 16.691 0.171 1.00 0.00 N ATOM 200 CA GLN A 14 -2.223 16.320 -0.729 1.00 0.00 C ATOM 201 C GLN A 14 -2.805 15.593 -1.929 1.00 0.00 C ATOM 202 O GLN A 14 -2.219 15.571 -3.012 1.00 0.00 O ATOM 203 CB GLN A 14 -1.222 15.427 0.001 1.00 0.00 C ATOM 204 CG GLN A 14 -0.149 16.201 0.740 1.00 0.00 C ATOM 205 CD GLN A 14 0.830 16.888 -0.192 1.00 0.00 C ATOM 206 OE1 GLN A 14 1.051 18.095 -0.099 1.00 0.00 O ATOM 207 NE2 GLN A 14 1.425 16.120 -1.096 1.00 0.00 N ATOM 0 H GLN A 14 -3.216 16.331 1.121 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.701 17.215 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.759 14.797 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.747 14.761 -0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.621 16.948 1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.396 15.521 1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.212 15.123 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.095 16.526 -1.749 1.00 0.00 H new ATOM 216 N LEU A 15 -3.988 15.029 -1.726 1.00 0.00 N ATOM 217 CA LEU A 15 -4.699 14.333 -2.780 1.00 0.00 C ATOM 218 C LEU A 15 -5.313 15.331 -3.767 1.00 0.00 C ATOM 219 O LEU A 15 -5.535 14.998 -4.931 1.00 0.00 O ATOM 220 CB LEU A 15 -5.779 13.420 -2.175 1.00 0.00 C ATOM 221 CG LEU A 15 -7.231 13.886 -2.349 1.00 0.00 C ATOM 222 CD1 LEU A 15 -7.789 13.403 -3.681 1.00 0.00 C ATOM 223 CD2 LEU A 15 -8.091 13.387 -1.196 1.00 0.00 C ATOM 0 H LEU A 15 -4.476 15.043 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.992 13.712 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.681 12.430 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.579 13.311 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.248 14.976 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.819 13.742 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.187 13.807 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.760 12.314 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.118 13.726 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.069 12.298 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.703 13.780 -0.256 1.00 0.00 H new ATOM 235 N LEU A 16 -5.604 16.557 -3.302 1.00 0.00 N ATOM 236 CA LEU A 16 -6.209 17.563 -4.177 1.00 0.00 C ATOM 237 C LEU A 16 -5.309 17.857 -5.383 1.00 0.00 C ATOM 238 O LEU A 16 -5.749 17.753 -6.529 1.00 0.00 O ATOM 239 CB LEU A 16 -6.504 18.849 -3.384 1.00 0.00 C ATOM 240 CG LEU A 16 -6.168 20.170 -4.089 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.081 20.384 -5.286 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.279 21.334 -3.116 1.00 0.00 C ATOM 0 H LEU A 16 -5.433 16.867 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.151 17.167 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.563 18.858 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.948 18.809 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.140 20.118 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.828 21.326 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.953 19.564 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.118 20.416 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.038 22.264 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.296 21.388 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.583 21.186 -2.290 1.00 0.00 H new ATOM 254 N PRO A 17 -4.032 18.210 -5.147 1.00 0.00 N ATOM 255 CA PRO A 17 -3.085 18.495 -6.228 1.00 0.00 C ATOM 256 C PRO A 17 -3.083 17.393 -7.280 1.00 0.00 C ATOM 257 O PRO A 17 -3.423 17.626 -8.440 1.00 0.00 O ATOM 258 CB PRO A 17 -1.734 18.554 -5.515 1.00 0.00 C ATOM 259 CG PRO A 17 -2.060 18.944 -4.114 1.00 0.00 C ATOM 260 CD PRO A 17 -3.417 18.360 -3.819 1.00 0.00 C ATOM 0 HA PRO A 17 -3.334 19.411 -6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.226 17.590 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.071 19.281 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.312 18.561 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.071 20.028 -4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.337 17.402 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.005 19.017 -3.178 1.00 0.00 H new ATOM 268 N LEU A 18 -2.696 16.188 -6.863 1.00 0.00 N ATOM 269 CA LEU A 18 -2.645 15.040 -7.756 1.00 0.00 C ATOM 270 C LEU A 18 -1.397 15.088 -8.622 1.00 0.00 C ATOM 271 O LEU A 18 -1.423 15.582 -9.748 1.00 0.00 O ATOM 272 CB LEU A 18 -3.900 14.962 -8.635 1.00 0.00 C ATOM 273 CG LEU A 18 -4.543 13.574 -8.749 1.00 0.00 C ATOM 274 CD1 LEU A 18 -5.309 13.455 -10.052 1.00 0.00 C ATOM 275 CD2 LEU A 18 -3.494 12.473 -8.653 1.00 0.00 C ATOM 0 H LEU A 18 -2.412 15.985 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.608 14.142 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.642 15.655 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.643 15.307 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.237 13.454 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.760 12.465 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.091 14.213 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.627 13.601 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.979 11.500 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.770 12.589 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.982 12.541 -7.693 1.00 0.00 H new ATOM 287 N HIS A 19 -0.308 14.571 -8.074 1.00 0.00 N ATOM 288 CA HIS A 19 0.978 14.541 -8.771 1.00 0.00 C ATOM 289 C HIS A 19 0.815 14.122 -10.233 1.00 0.00 C ATOM 290 O HIS A 19 1.583 14.545 -11.097 1.00 0.00 O ATOM 291 CB HIS A 19 1.941 13.586 -8.057 1.00 0.00 C ATOM 292 CG HIS A 19 3.213 14.241 -7.615 1.00 0.00 C ATOM 293 ND1 HIS A 19 3.535 14.437 -6.289 1.00 0.00 N ATOM 294 CD2 HIS A 19 4.247 14.743 -8.330 1.00 0.00 C ATOM 295 CE1 HIS A 19 4.712 15.032 -6.208 1.00 0.00 C ATOM 296 NE2 HIS A 19 5.164 15.228 -7.431 1.00 0.00 N ATOM 0 H HIS A 19 -0.285 14.162 -7.140 1.00 0.00 H new ATOM 0 HA HIS A 19 1.389 15.550 -8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.440 13.160 -7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.181 12.758 -8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.334 14.759 -9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.218 15.310 -5.295 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.052 15.669 -7.671 1.00 0.00 H new ATOM 305 N ARG A 20 -0.190 13.289 -10.499 1.00 0.00 N ATOM 306 CA ARG A 20 -0.464 12.808 -11.853 1.00 0.00 C ATOM 307 C ARG A 20 0.540 11.739 -12.264 1.00 0.00 C ATOM 308 O ARG A 20 1.450 11.994 -13.054 1.00 0.00 O ATOM 309 CB ARG A 20 -0.443 13.961 -12.861 1.00 0.00 C ATOM 310 CG ARG A 20 -1.266 15.164 -12.429 1.00 0.00 C ATOM 311 CD ARG A 20 -1.905 15.862 -13.620 1.00 0.00 C ATOM 312 NE ARG A 20 -3.349 16.009 -13.457 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.188 16.244 -14.462 1.00 0.00 C ATOM 314 NH1 ARG A 20 -3.732 16.365 -15.703 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.488 16.362 -14.227 1.00 0.00 N ATOM 0 H ARG A 20 -0.831 12.931 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.461 12.368 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.589 14.275 -13.019 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.817 13.601 -13.820 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.043 14.844 -11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.629 15.868 -11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.453 16.845 -13.750 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.698 15.294 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.737 15.927 -12.517 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.733 16.278 -15.890 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.381 16.545 -16.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.844 16.273 -13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.131 16.542 -14.998 1.00 0.00 H new ATOM 329 N ARG A 21 0.363 10.537 -11.726 1.00 0.00 N ATOM 330 CA ARG A 21 1.250 9.423 -12.037 1.00 0.00 C ATOM 331 C ARG A 21 0.468 8.113 -12.130 1.00 0.00 C ATOM 332 O ARG A 21 -0.344 7.804 -11.256 1.00 0.00 O ATOM 333 CB ARG A 21 2.342 9.303 -10.972 1.00 0.00 C ATOM 334 CG ARG A 21 3.467 10.310 -11.140 1.00 0.00 C ATOM 335 CD ARG A 21 4.117 10.199 -12.511 1.00 0.00 C ATOM 336 NE ARG A 21 5.566 10.043 -12.419 1.00 0.00 N ATOM 337 CZ ARG A 21 6.396 10.223 -13.444 1.00 0.00 C ATOM 338 NH1 ARG A 21 5.924 10.565 -14.636 1.00 0.00 N ATOM 339 NH2 ARG A 21 7.701 10.062 -13.276 1.00 0.00 N ATOM 0 H ARG A 21 -0.387 10.310 -11.073 1.00 0.00 H new ATOM 0 HA ARG A 21 1.713 9.618 -13.004 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.893 9.433 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.759 8.296 -11.002 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.077 11.318 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.218 10.150 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.694 9.348 -13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.885 11.089 -13.095 1.00 0.00 H new ATOM 0 HE ARG A 21 5.965 9.781 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.921 10.691 -14.770 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.564 10.702 -15.418 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.069 9.800 -12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.337 10.200 -14.061 1.00 0.00 H new ATOM 353 N PRO A 22 0.703 7.317 -13.191 1.00 0.00 N ATOM 354 CA PRO A 22 0.014 6.034 -13.383 1.00 0.00 C ATOM 355 C PRO A 22 0.367 5.029 -12.293 1.00 0.00 C ATOM 356 O PRO A 22 -0.513 4.414 -11.691 1.00 0.00 O ATOM 357 CB PRO A 22 0.523 5.549 -14.744 1.00 0.00 C ATOM 358 CG PRO A 22 1.813 6.263 -14.950 1.00 0.00 C ATOM 359 CD PRO A 22 1.657 7.597 -14.279 1.00 0.00 C ATOM 0 HA PRO A 22 -1.070 6.142 -13.338 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.665 4.468 -14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.188 5.782 -15.537 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.643 5.703 -14.518 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.028 6.383 -16.012 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.607 7.968 -13.896 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.274 8.351 -14.966 1.00 0.00 H new ATOM 367 N ASN A 23 1.664 4.873 -12.043 1.00 0.00 N ATOM 368 CA ASN A 23 2.152 3.950 -11.021 1.00 0.00 C ATOM 369 C ASN A 23 1.493 4.236 -9.667 1.00 0.00 C ATOM 370 O ASN A 23 2.031 5.001 -8.875 1.00 0.00 O ATOM 371 CB ASN A 23 3.668 4.086 -10.878 1.00 0.00 C ATOM 372 CG ASN A 23 4.123 5.531 -10.864 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.996 6.225 -9.856 1.00 0.00 O ATOM 374 ND2 ASN A 23 4.654 5.989 -11.989 1.00 0.00 N ATOM 0 H ASN A 23 2.400 5.377 -12.537 1.00 0.00 H new ATOM 0 HA ASN A 23 1.898 2.936 -11.331 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.988 3.599 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.156 3.563 -11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.978 6.955 -12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.739 5.376 -12.800 1.00 0.00 H new ATOM 381 N ILE A 24 0.328 3.645 -9.397 1.00 0.00 N ATOM 382 CA ILE A 24 -0.349 3.896 -8.122 1.00 0.00 C ATOM 383 C ILE A 24 -0.906 2.624 -7.473 1.00 0.00 C ATOM 384 O ILE A 24 -1.716 1.914 -8.067 1.00 0.00 O ATOM 385 CB ILE A 24 -1.495 4.914 -8.296 1.00 0.00 C ATOM 386 CG1 ILE A 24 -2.075 5.308 -6.935 1.00 0.00 C ATOM 387 CG2 ILE A 24 -2.583 4.350 -9.200 1.00 0.00 C ATOM 388 CD1 ILE A 24 -1.284 6.390 -6.232 1.00 0.00 C ATOM 0 H ILE A 24 -0.157 3.005 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 24 0.415 4.301 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.089 5.809 -8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.101 5.650 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.115 4.425 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.382 5.084 -9.310 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.161 4.124 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.986 3.438 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.752 6.619 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.264 6.044 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.266 7.287 -6.851 1.00 0.00 H new ATOM 400 N ALA A 25 -0.487 2.372 -6.230 1.00 0.00 N ATOM 401 CA ALA A 25 -0.962 1.220 -5.463 1.00 0.00 C ATOM 402 C ALA A 25 -0.762 1.440 -3.962 1.00 0.00 C ATOM 403 O ALA A 25 0.230 2.020 -3.540 1.00 0.00 O ATOM 404 CB ALA A 25 -0.280 -0.062 -5.914 1.00 0.00 C ATOM 0 H ALA A 25 0.185 2.956 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.030 1.116 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.654 -0.900 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.493 -0.236 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.797 0.029 -5.772 1.00 0.00 H new ATOM 410 N ILE A 26 -1.715 0.979 -3.164 1.00 0.00 N ATOM 411 CA ILE A 26 -1.642 1.128 -1.712 1.00 0.00 C ATOM 412 C ILE A 26 -1.271 -0.195 -1.034 1.00 0.00 C ATOM 413 O ILE A 26 -1.840 -1.239 -1.344 1.00 0.00 O ATOM 414 CB ILE A 26 -2.984 1.654 -1.157 1.00 0.00 C ATOM 415 CG1 ILE A 26 -3.036 3.180 -1.248 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.220 1.196 0.277 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.347 3.706 -1.785 1.00 0.00 C ATOM 0 H ILE A 26 -2.551 0.497 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.858 1.852 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.782 1.235 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.862 3.602 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.225 3.526 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.174 1.586 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.238 0.107 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.417 1.567 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.314 4.795 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.513 3.313 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.161 3.390 -1.132 1.00 0.00 H new ATOM 429 N ILE A 27 -0.318 -0.143 -0.104 1.00 0.00 N ATOM 430 CA ILE A 27 0.115 -1.335 0.612 1.00 0.00 C ATOM 431 C ILE A 27 -0.632 -1.495 1.933 1.00 0.00 C ATOM 432 O ILE A 27 -0.812 -0.537 2.684 1.00 0.00 O ATOM 433 CB ILE A 27 1.625 -1.312 0.902 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.405 -0.864 -0.336 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.090 -2.687 1.361 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.901 -0.799 -0.112 1.00 0.00 C ATOM 0 H ILE A 27 0.166 0.712 0.169 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.111 -2.179 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 27 1.816 -0.595 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.197 -1.552 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.048 0.118 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.161 -2.660 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.556 -2.968 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.887 -3.419 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.393 -0.475 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.119 -0.090 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.270 -1.786 0.168 1.00 0.00 H new ATOM 448 N ASP A 28 -1.060 -2.725 2.202 1.00 0.00 N ATOM 449 CA ASP A 28 -1.786 -3.038 3.427 1.00 0.00 C ATOM 450 C ASP A 28 -1.221 -4.296 4.080 1.00 0.00 C ATOM 451 O ASP A 28 -1.204 -5.368 3.476 1.00 0.00 O ATOM 452 CB ASP A 28 -3.274 -3.224 3.131 1.00 0.00 C ATOM 453 CG ASP A 28 -4.027 -1.908 3.100 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.388 -0.866 2.844 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.253 -1.920 3.334 1.00 0.00 O ATOM 0 H ASP A 28 -0.915 -3.524 1.585 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.666 -2.204 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.390 -3.729 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.714 -3.873 3.888 1.00 0.00 H new ATOM 460 N VAL A 29 -0.755 -4.154 5.316 1.00 0.00 N ATOM 461 CA VAL A 29 -0.182 -5.273 6.055 1.00 0.00 C ATOM 462 C VAL A 29 -1.174 -6.430 6.178 1.00 0.00 C ATOM 463 O VAL A 29 -2.385 -6.222 6.238 1.00 0.00 O ATOM 464 CB VAL A 29 0.269 -4.832 7.461 1.00 0.00 C ATOM 465 CG1 VAL A 29 -0.910 -4.293 8.256 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.944 -5.979 8.199 1.00 0.00 C ATOM 0 H VAL A 29 -0.763 -3.272 5.828 1.00 0.00 H new ATOM 0 HA VAL A 29 0.686 -5.617 5.492 1.00 0.00 H new ATOM 0 HB VAL A 29 0.999 -4.030 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.572 -3.987 9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.337 -3.435 7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.667 -5.070 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.253 -5.643 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.244 -6.809 8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.819 -6.308 7.638 1.00 0.00 H new ATOM 476 N ARG A 30 -0.642 -7.651 6.214 1.00 0.00 N ATOM 477 CA ARG A 30 -1.460 -8.861 6.326 1.00 0.00 C ATOM 478 C ARG A 30 -2.522 -8.912 5.235 1.00 0.00 C ATOM 479 O ARG A 30 -2.749 -7.934 4.522 1.00 0.00 O ATOM 480 CB ARG A 30 -2.149 -8.972 7.698 1.00 0.00 C ATOM 481 CG ARG A 30 -1.699 -7.958 8.739 1.00 0.00 C ATOM 482 CD ARG A 30 -2.675 -7.906 9.904 1.00 0.00 C ATOM 483 NE ARG A 30 -3.782 -6.987 9.646 1.00 0.00 N ATOM 484 CZ ARG A 30 -4.797 -6.791 10.485 1.00 0.00 C ATOM 485 NH1 ARG A 30 -4.857 -7.458 11.631 1.00 0.00 N ATOM 486 NH2 ARG A 30 -5.754 -5.927 10.177 1.00 0.00 N ATOM 0 H ARG A 30 0.361 -7.830 6.167 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.776 -9.702 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.224 -8.867 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.976 -9.973 8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.706 -8.221 9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.620 -6.972 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.069 -8.905 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.148 -7.595 10.806 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.777 -6.464 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.123 -8.124 11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.637 -7.304 12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.713 -5.412 9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.532 -5.777 10.820 1.00 0.00 H new ATOM 500 N ASP A 31 -3.190 -10.056 5.132 1.00 0.00 N ATOM 501 CA ASP A 31 -4.248 -10.242 4.166 1.00 0.00 C ATOM 502 C ASP A 31 -5.513 -10.649 4.902 1.00 0.00 C ATOM 503 O ASP A 31 -6.286 -11.473 4.424 1.00 0.00 O ATOM 504 CB ASP A 31 -3.869 -11.309 3.140 1.00 0.00 C ATOM 505 CG ASP A 31 -2.835 -10.819 2.145 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.536 -9.607 2.145 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.324 -11.650 1.364 1.00 0.00 O ATOM 0 H ASP A 31 -3.009 -10.872 5.716 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.413 -9.308 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.482 -12.186 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.763 -11.626 2.603 1.00 0.00 H new ATOM 512 N GLU A 32 -5.707 -10.065 6.086 1.00 0.00 N ATOM 513 CA GLU A 32 -6.874 -10.362 6.912 1.00 0.00 C ATOM 514 C GLU A 32 -8.151 -10.308 6.085 1.00 0.00 C ATOM 515 O GLU A 32 -9.145 -10.952 6.417 1.00 0.00 O ATOM 516 CB GLU A 32 -6.962 -9.380 8.080 1.00 0.00 C ATOM 517 CG GLU A 32 -7.125 -7.932 7.649 1.00 0.00 C ATOM 518 CD GLU A 32 -8.016 -7.144 8.588 1.00 0.00 C ATOM 519 OE1 GLU A 32 -7.901 -7.338 9.817 1.00 0.00 O ATOM 520 OE2 GLU A 32 -8.829 -6.334 8.097 1.00 0.00 O ATOM 0 H GLU A 32 -5.068 -9.382 6.493 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.763 -11.372 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.804 -9.658 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.062 -9.470 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.145 -7.458 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.544 -7.901 6.643 1.00 0.00 H new ATOM 527 N GLU A 33 -8.114 -9.542 4.999 1.00 0.00 N ATOM 528 CA GLU A 33 -9.266 -9.420 4.123 1.00 0.00 C ATOM 529 C GLU A 33 -9.520 -10.727 3.380 1.00 0.00 C ATOM 530 O GLU A 33 -10.584 -10.914 2.788 1.00 0.00 O ATOM 531 CB GLU A 33 -9.064 -8.279 3.125 1.00 0.00 C ATOM 532 CG GLU A 33 -10.326 -7.912 2.359 1.00 0.00 C ATOM 533 CD GLU A 33 -11.527 -7.726 3.267 1.00 0.00 C ATOM 534 OE1 GLU A 33 -11.427 -6.937 4.230 1.00 0.00 O ATOM 535 OE2 GLU A 33 -12.566 -8.371 3.015 1.00 0.00 O ATOM 0 H GLU A 33 -7.300 -9.000 4.708 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.137 -9.196 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.704 -7.400 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.287 -8.561 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.152 -6.993 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.544 -8.693 1.630 1.00 0.00 H new ATOM 542 N ARG A 34 -8.547 -11.640 3.419 1.00 0.00 N ATOM 543 CA ARG A 34 -8.696 -12.926 2.753 1.00 0.00 C ATOM 544 C ARG A 34 -9.705 -13.795 3.495 1.00 0.00 C ATOM 545 O ARG A 34 -10.284 -14.718 2.924 1.00 0.00 O ATOM 546 CB ARG A 34 -7.352 -13.652 2.666 1.00 0.00 C ATOM 547 CG ARG A 34 -6.546 -13.300 1.427 1.00 0.00 C ATOM 548 CD ARG A 34 -5.302 -14.165 1.309 1.00 0.00 C ATOM 549 NE ARG A 34 -5.609 -15.585 1.459 1.00 0.00 N ATOM 550 CZ ARG A 34 -4.698 -16.516 1.730 1.00 0.00 C ATOM 551 NH1 ARG A 34 -3.422 -16.184 1.882 1.00 0.00 N ATOM 552 NH2 ARG A 34 -5.066 -17.785 1.851 1.00 0.00 N ATOM 0 H ARG A 34 -7.657 -11.511 3.901 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.059 -12.742 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.763 -13.414 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.529 -14.728 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.166 -13.429 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.258 -12.249 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.833 -13.996 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.580 -13.868 2.069 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.579 -15.880 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.134 -15.210 1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.729 -16.903 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.046 -18.045 1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.369 -18.500 2.059 1.00 0.00 H new ATOM 566 N ASN A 35 -9.910 -13.491 4.773 1.00 0.00 N ATOM 567 CA ASN A 35 -10.846 -14.242 5.593 1.00 0.00 C ATOM 568 C ASN A 35 -12.272 -13.727 5.414 1.00 0.00 C ATOM 569 O ASN A 35 -13.183 -14.490 5.094 1.00 0.00 O ATOM 570 CB ASN A 35 -10.442 -14.170 7.068 1.00 0.00 C ATOM 571 CG ASN A 35 -10.480 -15.527 7.744 1.00 0.00 C ATOM 572 OD1 ASN A 35 -11.501 -15.927 8.303 1.00 0.00 O ATOM 573 ND2 ASN A 35 -9.362 -16.243 7.699 1.00 0.00 N ATOM 0 H ASN A 35 -9.439 -12.729 5.261 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.816 -15.282 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.437 -13.756 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.110 -13.487 7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.327 -17.163 8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.538 -15.873 7.225 1.00 0.00 H new ATOM 580 N TYR A 36 -12.457 -12.427 5.628 1.00 0.00 N ATOM 581 CA TYR A 36 -13.772 -11.805 5.496 1.00 0.00 C ATOM 582 C TYR A 36 -14.349 -12.025 4.100 1.00 0.00 C ATOM 583 O TYR A 36 -15.566 -12.090 3.924 1.00 0.00 O ATOM 584 CB TYR A 36 -13.680 -10.308 5.797 1.00 0.00 C ATOM 585 CG TYR A 36 -13.100 -10.003 7.159 1.00 0.00 C ATOM 586 CD1 TYR A 36 -13.892 -10.051 8.298 1.00 0.00 C ATOM 587 CD2 TYR A 36 -11.759 -9.665 7.306 1.00 0.00 C ATOM 588 CE1 TYR A 36 -13.367 -9.773 9.546 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.226 -9.388 8.551 1.00 0.00 C ATOM 590 CZ TYR A 36 -12.035 -9.443 9.667 1.00 0.00 C ATOM 591 OH TYR A 36 -11.508 -9.166 10.908 1.00 0.00 O ATOM 0 H TYR A 36 -11.712 -11.783 5.894 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.441 -12.275 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -13.067 -9.829 5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -14.675 -9.869 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.937 -10.310 8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.124 -9.618 6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.998 -9.814 10.422 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.182 -9.130 8.649 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.556 -8.953 10.819 1.00 0.00 H new ATOM 601 N ASP A 37 -13.467 -12.141 3.111 1.00 0.00 N ATOM 602 CA ASP A 37 -13.880 -12.358 1.726 1.00 0.00 C ATOM 603 C ASP A 37 -14.418 -11.076 1.088 1.00 0.00 C ATOM 604 O ASP A 37 -14.964 -11.109 -0.015 1.00 0.00 O ATOM 605 CB ASP A 37 -14.939 -13.463 1.644 1.00 0.00 C ATOM 606 CG ASP A 37 -14.839 -14.265 0.361 1.00 0.00 C ATOM 607 OD1 ASP A 37 -13.763 -14.243 -0.272 1.00 0.00 O ATOM 608 OD2 ASP A 37 -15.839 -14.915 -0.011 1.00 0.00 O ATOM 0 H ASP A 37 -12.457 -12.088 3.243 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.995 -12.667 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.829 -14.132 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.931 -13.018 1.714 1.00 0.00 H new ATOM 613 N GLY A 38 -14.253 -9.946 1.775 1.00 0.00 N ATOM 614 CA GLY A 38 -14.724 -8.682 1.233 1.00 0.00 C ATOM 615 C GLY A 38 -14.078 -8.368 -0.101 1.00 0.00 C ATOM 616 O GLY A 38 -13.473 -9.245 -0.718 1.00 0.00 O ATOM 0 H GLY A 38 -13.805 -9.884 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.807 -8.718 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.508 -7.880 1.939 1.00 0.00 H new ATOM 620 N HIS A 39 -14.188 -7.122 -0.551 1.00 0.00 N ATOM 621 CA HIS A 39 -13.585 -6.731 -1.823 1.00 0.00 C ATOM 622 C HIS A 39 -12.747 -5.472 -1.661 1.00 0.00 C ATOM 623 O HIS A 39 -13.045 -4.439 -2.261 1.00 0.00 O ATOM 624 CB HIS A 39 -14.651 -6.502 -2.900 1.00 0.00 C ATOM 625 CG HIS A 39 -15.002 -7.729 -3.685 1.00 0.00 C ATOM 626 ND1 HIS A 39 -15.967 -7.701 -4.665 1.00 0.00 N ATOM 627 CD2 HIS A 39 -14.493 -8.982 -3.599 1.00 0.00 C ATOM 628 CE1 HIS A 39 -16.023 -8.929 -5.150 1.00 0.00 C ATOM 629 NE2 HIS A 39 -15.148 -9.739 -4.536 1.00 0.00 N ATOM 0 H HIS A 39 -14.681 -6.374 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 39 -12.941 -7.551 -2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.554 -6.117 -2.426 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.298 -5.733 -3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.721 -9.319 -2.923 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -16.689 -9.241 -5.941 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -14.998 -10.729 -4.729 1.00 0.00 H new ATOM 637 N ILE A 40 -11.686 -5.561 -0.864 1.00 0.00 N ATOM 638 CA ILE A 40 -10.809 -4.420 -0.661 1.00 0.00 C ATOM 639 C ILE A 40 -10.083 -4.117 -1.968 1.00 0.00 C ATOM 640 O ILE A 40 -8.912 -4.451 -2.152 1.00 0.00 O ATOM 641 CB ILE A 40 -9.795 -4.669 0.488 1.00 0.00 C ATOM 642 CG1 ILE A 40 -10.478 -4.520 1.854 1.00 0.00 C ATOM 643 CG2 ILE A 40 -8.612 -3.711 0.393 1.00 0.00 C ATOM 644 CD1 ILE A 40 -11.882 -5.089 1.914 1.00 0.00 C ATOM 0 H ILE A 40 -11.417 -6.403 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.413 -3.562 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.424 -5.689 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.866 -5.013 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.516 -3.462 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.918 -3.908 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.102 -3.856 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.970 -2.684 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -12.292 -4.942 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -12.512 -4.580 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -11.853 -6.155 1.687 1.00 0.00 H new ATOM 656 N ALA A 41 -10.828 -3.524 -2.886 1.00 0.00 N ATOM 657 CA ALA A 41 -10.357 -3.201 -4.198 1.00 0.00 C ATOM 658 C ALA A 41 -9.885 -1.760 -4.301 1.00 0.00 C ATOM 659 O ALA A 41 -10.654 -0.832 -4.135 1.00 0.00 O ATOM 660 CB ALA A 41 -11.510 -3.457 -5.143 1.00 0.00 C ATOM 0 H ALA A 41 -11.798 -3.253 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.491 -3.814 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.203 -3.225 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.805 -4.505 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.354 -2.826 -4.866 1.00 0.00 H new ATOM 666 N GLY A 42 -8.605 -1.604 -4.615 1.00 0.00 N ATOM 667 CA GLY A 42 -8.004 -0.292 -4.746 1.00 0.00 C ATOM 668 C GLY A 42 -6.953 -0.087 -3.671 1.00 0.00 C ATOM 669 O GLY A 42 -6.973 0.907 -2.946 1.00 0.00 O ATOM 0 H GLY A 42 -7.963 -2.379 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.551 -0.188 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.772 0.477 -4.665 1.00 0.00 H new ATOM 673 N SER A 43 -6.050 -1.063 -3.559 1.00 0.00 N ATOM 674 CA SER A 43 -4.987 -1.053 -2.559 1.00 0.00 C ATOM 675 C SER A 43 -4.394 -2.457 -2.441 1.00 0.00 C ATOM 676 O SER A 43 -5.034 -3.363 -1.906 1.00 0.00 O ATOM 677 CB SER A 43 -5.536 -0.594 -1.198 1.00 0.00 C ATOM 678 OG SER A 43 -5.107 -1.444 -0.143 1.00 0.00 O ATOM 0 H SER A 43 -6.038 -1.885 -4.163 1.00 0.00 H new ATOM 0 HA SER A 43 -4.210 -0.354 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.208 0.426 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.625 -0.578 -1.232 1.00 0.00 H new ATOM 0 HG SER A 43 -5.474 -1.121 0.707 1.00 0.00 H new ATOM 684 N LEU A 44 -3.183 -2.640 -2.952 1.00 0.00 N ATOM 685 CA LEU A 44 -2.531 -3.943 -2.907 1.00 0.00 C ATOM 686 C LEU A 44 -2.108 -4.305 -1.487 1.00 0.00 C ATOM 687 O LEU A 44 -1.207 -3.692 -0.918 1.00 0.00 O ATOM 688 CB LEU A 44 -1.316 -3.959 -3.835 1.00 0.00 C ATOM 689 CG LEU A 44 -1.608 -3.580 -5.287 1.00 0.00 C ATOM 690 CD1 LEU A 44 -0.332 -3.601 -6.113 1.00 0.00 C ATOM 691 CD2 LEU A 44 -2.646 -4.520 -5.884 1.00 0.00 C ATOM 0 H LEU A 44 -2.634 -1.906 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.251 -4.688 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.567 -3.273 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.877 -4.956 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.010 -2.567 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.561 -3.329 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.381 -2.888 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.100 -4.601 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.842 -4.236 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.271 -5.543 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.569 -4.455 -5.309 1.00 0.00 H new ATOM 703 N HIS A 45 -2.765 -5.314 -0.925 1.00 0.00 N ATOM 704 CA HIS A 45 -2.459 -5.771 0.426 1.00 0.00 C ATOM 705 C HIS A 45 -1.655 -7.066 0.386 1.00 0.00 C ATOM 706 O HIS A 45 -1.886 -7.922 -0.468 1.00 0.00 O ATOM 707 CB HIS A 45 -3.752 -5.975 1.223 1.00 0.00 C ATOM 708 CG HIS A 45 -4.578 -7.140 0.763 1.00 0.00 C ATOM 709 ND1 HIS A 45 -4.586 -7.820 -0.410 1.00 0.00 N flip ATOM 710 CD2 HIS A 45 -5.542 -7.733 1.552 1.00 0.00 C flip ATOM 711 CE1 HIS A 45 -5.543 -8.800 -0.306 1.00 0.00 C flip ATOM 712 NE2 HIS A 45 -6.105 -8.727 0.886 1.00 0.00 N flip ATOM 0 H HIS A 45 -3.514 -5.832 -1.385 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.858 -5.007 0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.500 -6.115 2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.354 -5.068 1.157 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.992 -7.638 -1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.797 -7.432 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.795 -9.515 -1.075 1.00 0.00 H new ATOM 721 N TYR A 46 -0.708 -7.208 1.308 1.00 0.00 N ATOM 722 CA TYR A 46 0.116 -8.404 1.358 1.00 0.00 C ATOM 723 C TYR A 46 0.062 -9.031 2.754 1.00 0.00 C ATOM 724 O TYR A 46 -0.172 -8.342 3.748 1.00 0.00 O ATOM 725 CB TYR A 46 1.553 -8.063 0.928 1.00 0.00 C ATOM 726 CG TYR A 46 2.602 -8.255 1.997 1.00 0.00 C ATOM 727 CD1 TYR A 46 2.535 -7.559 3.194 1.00 0.00 C ATOM 728 CD2 TYR A 46 3.658 -9.133 1.802 1.00 0.00 C ATOM 729 CE1 TYR A 46 3.491 -7.733 4.171 1.00 0.00 C ATOM 730 CE2 TYR A 46 4.620 -9.316 2.773 1.00 0.00 C ATOM 731 CZ TYR A 46 4.533 -8.614 3.958 1.00 0.00 C ATOM 732 OH TYR A 46 5.489 -8.795 4.931 1.00 0.00 O ATOM 0 H TYR A 46 -0.495 -6.514 2.024 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.272 -9.146 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.815 -8.680 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.580 -7.025 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.721 -6.870 3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.728 -9.682 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.426 -7.183 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.436 -10.004 2.607 1.00 0.00 H new ATOM 0 HH TYR A 46 6.150 -9.449 4.622 1.00 0.00 H new ATOM 742 N ALA A 47 0.261 -10.342 2.816 1.00 0.00 N ATOM 743 CA ALA A 47 0.215 -11.065 4.080 1.00 0.00 C ATOM 744 C ALA A 47 1.614 -11.291 4.649 1.00 0.00 C ATOM 745 O ALA A 47 2.580 -10.662 4.220 1.00 0.00 O ATOM 746 CB ALA A 47 -0.505 -12.394 3.895 1.00 0.00 C ATOM 0 H ALA A 47 0.456 -10.927 2.003 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.337 -10.456 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.534 -12.927 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.523 -12.212 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.026 -12.996 3.157 1.00 0.00 H new ATOM 752 N SER A 48 1.710 -12.199 5.619 1.00 0.00 N ATOM 753 CA SER A 48 2.985 -12.516 6.250 1.00 0.00 C ATOM 754 C SER A 48 3.147 -14.022 6.420 1.00 0.00 C ATOM 755 O SER A 48 3.630 -14.496 7.449 1.00 0.00 O ATOM 756 CB SER A 48 3.094 -11.820 7.608 1.00 0.00 C ATOM 757 OG SER A 48 4.317 -12.141 8.249 1.00 0.00 O ATOM 0 H SER A 48 0.917 -12.727 5.984 1.00 0.00 H new ATOM 0 HA SER A 48 3.783 -12.155 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.022 -10.741 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.259 -12.118 8.241 1.00 0.00 H new ATOM 0 HG SER A 48 4.489 -13.102 8.163 1.00 0.00 H new ATOM 763 N GLY A 49 2.760 -14.767 5.393 1.00 0.00 N ATOM 764 CA GLY A 49 2.886 -16.211 5.425 1.00 0.00 C ATOM 765 C GLY A 49 4.083 -16.651 4.617 1.00 0.00 C ATOM 766 O GLY A 49 4.003 -17.585 3.819 1.00 0.00 O ATOM 0 H GLY A 49 2.358 -14.394 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.990 -16.551 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.981 -16.671 5.027 1.00 0.00 H new ATOM 770 N SER A 50 5.180 -15.924 4.809 1.00 0.00 N ATOM 771 CA SER A 50 6.438 -16.146 4.094 1.00 0.00 C ATOM 772 C SER A 50 6.509 -15.210 2.904 1.00 0.00 C ATOM 773 O SER A 50 7.255 -15.443 1.954 1.00 0.00 O ATOM 774 CB SER A 50 6.599 -17.591 3.624 1.00 0.00 C ATOM 775 OG SER A 50 5.972 -17.799 2.368 1.00 0.00 O ATOM 0 H SER A 50 5.223 -15.152 5.475 1.00 0.00 H new ATOM 0 HA SER A 50 7.252 -15.943 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.659 -17.835 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.169 -18.266 4.364 1.00 0.00 H new ATOM 0 HG SER A 50 5.047 -18.091 2.508 1.00 0.00 H new ATOM 781 N PHE A 51 5.725 -14.139 2.971 1.00 0.00 N ATOM 782 CA PHE A 51 5.698 -13.155 1.911 1.00 0.00 C ATOM 783 C PHE A 51 7.018 -12.411 1.858 1.00 0.00 C ATOM 784 O PHE A 51 7.318 -11.727 0.882 1.00 0.00 O ATOM 785 CB PHE A 51 4.511 -12.209 2.085 1.00 0.00 C ATOM 786 CG PHE A 51 3.192 -12.848 1.733 1.00 0.00 C ATOM 787 CD1 PHE A 51 2.893 -14.141 2.143 1.00 0.00 C ATOM 788 CD2 PHE A 51 2.255 -12.159 0.982 1.00 0.00 C ATOM 789 CE1 PHE A 51 1.686 -14.728 1.809 1.00 0.00 C ATOM 790 CE2 PHE A 51 1.047 -12.742 0.647 1.00 0.00 C ATOM 791 CZ PHE A 51 0.762 -14.027 1.061 1.00 0.00 C ATOM 0 H PHE A 51 5.101 -13.936 3.752 1.00 0.00 H new ATOM 0 HA PHE A 51 5.566 -13.661 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.477 -11.864 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.660 -11.329 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.611 -14.694 2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.471 -11.153 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.467 -15.735 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.326 -12.191 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.182 -14.483 0.800 1.00 0.00 H new ATOM 801 N ASP A 52 7.835 -12.602 2.889 1.00 0.00 N ATOM 802 CA ASP A 52 9.152 -12.004 2.922 1.00 0.00 C ATOM 803 C ASP A 52 10.027 -12.716 1.899 1.00 0.00 C ATOM 804 O ASP A 52 11.062 -12.205 1.477 1.00 0.00 O ATOM 805 CB ASP A 52 9.764 -12.133 4.320 1.00 0.00 C ATOM 806 CG ASP A 52 9.745 -13.560 4.831 1.00 0.00 C ATOM 807 OD1 ASP A 52 8.641 -14.134 4.951 1.00 0.00 O ATOM 808 OD2 ASP A 52 10.833 -14.105 5.113 1.00 0.00 O ATOM 0 H ASP A 52 7.603 -13.165 3.707 1.00 0.00 H new ATOM 0 HA ASP A 52 9.082 -10.943 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.792 -11.772 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.217 -11.495 5.013 1.00 0.00 H new ATOM 813 N ASP A 53 9.576 -13.907 1.501 1.00 0.00 N ATOM 814 CA ASP A 53 10.272 -14.719 0.521 1.00 0.00 C ATOM 815 C ASP A 53 9.826 -14.351 -0.897 1.00 0.00 C ATOM 816 O ASP A 53 10.422 -14.797 -1.877 1.00 0.00 O ATOM 817 CB ASP A 53 10.001 -16.205 0.792 1.00 0.00 C ATOM 818 CG ASP A 53 11.264 -16.968 1.139 1.00 0.00 C ATOM 819 OD1 ASP A 53 12.358 -16.520 0.734 1.00 0.00 O ATOM 820 OD2 ASP A 53 11.161 -18.013 1.815 1.00 0.00 O ATOM 0 H ASP A 53 8.717 -14.329 1.854 1.00 0.00 H new ATOM 0 HA ASP A 53 11.342 -14.529 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.287 -16.298 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.539 -16.654 -0.087 1.00 0.00 H new ATOM 825 N LYS A 54 8.773 -13.534 -0.999 1.00 0.00 N ATOM 826 CA LYS A 54 8.255 -13.114 -2.301 1.00 0.00 C ATOM 827 C LYS A 54 8.258 -11.590 -2.426 1.00 0.00 C ATOM 828 O LYS A 54 8.185 -11.044 -3.527 1.00 0.00 O ATOM 829 CB LYS A 54 6.835 -13.651 -2.506 1.00 0.00 C ATOM 830 CG LYS A 54 6.601 -15.013 -1.871 1.00 0.00 C ATOM 831 CD LYS A 54 5.224 -15.556 -2.207 1.00 0.00 C ATOM 832 CE LYS A 54 5.278 -16.537 -3.365 1.00 0.00 C ATOM 833 NZ LYS A 54 5.001 -15.874 -4.670 1.00 0.00 N ATOM 0 H LYS A 54 8.266 -13.153 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 54 8.907 -13.524 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.123 -12.938 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.632 -13.718 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.363 -15.712 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.708 -14.934 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.803 -16.049 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.558 -14.731 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.262 -17.006 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.551 -17.332 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.239 -16.382 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.710 -14.889 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.861 -15.887 -5.255 1.00 0.00 H new ATOM 847 N ILE A 55 8.343 -10.918 -1.283 1.00 0.00 N ATOM 848 CA ILE A 55 8.359 -9.466 -1.235 1.00 0.00 C ATOM 849 C ILE A 55 9.403 -8.892 -2.183 1.00 0.00 C ATOM 850 O ILE A 55 9.161 -7.888 -2.847 1.00 0.00 O ATOM 851 CB ILE A 55 8.640 -8.972 0.202 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.079 -7.568 0.398 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.135 -9.004 0.525 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.456 -6.955 1.725 1.00 0.00 C ATOM 0 H ILE A 55 8.402 -11.365 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 55 7.375 -9.118 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 55 8.140 -9.651 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.437 -6.925 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.993 -7.604 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.295 -8.650 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.505 -10.025 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.672 -8.360 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.025 -5.957 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.074 -7.577 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.541 -6.888 1.800 1.00 0.00 H new ATOM 866 N SER A 56 10.566 -9.546 -2.220 1.00 0.00 N ATOM 867 CA SER A 56 11.690 -9.109 -3.052 1.00 0.00 C ATOM 868 C SER A 56 11.247 -8.874 -4.479 1.00 0.00 C ATOM 869 O SER A 56 11.641 -7.925 -5.143 1.00 0.00 O ATOM 870 CB SER A 56 12.796 -10.162 -3.029 1.00 0.00 C ATOM 871 OG SER A 56 13.627 -9.997 -1.895 1.00 0.00 O ATOM 0 H SER A 56 10.755 -10.389 -1.677 1.00 0.00 H new ATOM 0 HA SER A 56 12.069 -8.171 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.355 -11.159 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.394 -10.087 -3.937 1.00 0.00 H new ATOM 0 HG SER A 56 13.414 -9.148 -1.454 1.00 0.00 H new ATOM 877 N HIS A 57 10.427 -9.760 -4.900 1.00 0.00 N ATOM 878 CA HIS A 57 9.843 -9.762 -6.223 1.00 0.00 C ATOM 879 C HIS A 57 8.715 -8.747 -6.407 1.00 0.00 C ATOM 880 O HIS A 57 8.555 -8.174 -7.484 1.00 0.00 O ATOM 881 CB HIS A 57 9.295 -11.132 -6.442 1.00 0.00 C ATOM 882 CG HIS A 57 9.328 -11.594 -7.866 1.00 0.00 C ATOM 883 ND1 HIS A 57 9.992 -12.731 -8.275 1.00 0.00 N ATOM 884 CD2 HIS A 57 8.774 -11.063 -8.984 1.00 0.00 C ATOM 885 CE1 HIS A 57 9.845 -12.879 -9.580 1.00 0.00 C ATOM 886 NE2 HIS A 57 9.111 -11.881 -10.032 1.00 0.00 N ATOM 0 H HIS A 57 10.120 -10.543 -4.324 1.00 0.00 H new ATOM 0 HA HIS A 57 10.617 -9.483 -6.938 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.859 -11.837 -5.831 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.264 -11.158 -6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.178 -10.164 -9.039 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.256 -13.681 -10.175 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.838 -11.740 -11.005 1.00 0.00 H new ATOM 895 N LEU A 58 7.892 -8.582 -5.373 1.00 0.00 N ATOM 896 CA LEU A 58 6.737 -7.697 -5.459 1.00 0.00 C ATOM 897 C LEU A 58 7.166 -6.260 -5.608 1.00 0.00 C ATOM 898 O LEU A 58 6.600 -5.508 -6.399 1.00 0.00 O ATOM 899 CB LEU A 58 5.846 -7.859 -4.225 1.00 0.00 C ATOM 900 CG LEU A 58 4.615 -8.743 -4.430 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.764 -8.773 -3.169 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.798 -8.251 -5.615 1.00 0.00 C ATOM 0 H LEU A 58 8.004 -9.047 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 58 6.165 -7.975 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.444 -8.277 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.516 -6.872 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 58 4.951 -9.758 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.892 -9.407 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.352 -9.172 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.437 -7.762 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.926 -8.891 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.472 -7.227 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.410 -8.282 -6.517 1.00 0.00 H new ATOM 914 N VAL A 59 8.163 -5.885 -4.841 1.00 0.00 N ATOM 915 CA VAL A 59 8.676 -4.538 -4.887 1.00 0.00 C ATOM 916 C VAL A 59 9.461 -4.288 -6.180 1.00 0.00 C ATOM 917 O VAL A 59 9.406 -3.192 -6.739 1.00 0.00 O ATOM 918 CB VAL A 59 9.535 -4.253 -3.644 1.00 0.00 C ATOM 919 CG1 VAL A 59 10.889 -3.680 -4.011 1.00 0.00 C ATOM 920 CG2 VAL A 59 8.792 -3.344 -2.688 1.00 0.00 C ATOM 0 H VAL A 59 8.636 -6.497 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 59 7.833 -3.847 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 59 9.722 -5.202 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.463 -3.494 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.426 -4.390 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.753 -2.744 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.413 -3.151 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.563 -2.402 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.864 -3.824 -2.376 1.00 0.00 H new ATOM 930 N GLN A 60 10.198 -5.301 -6.656 1.00 0.00 N ATOM 931 CA GLN A 60 10.983 -5.141 -7.885 1.00 0.00 C ATOM 932 C GLN A 60 10.108 -5.231 -9.132 1.00 0.00 C ATOM 933 O GLN A 60 9.829 -4.220 -9.778 1.00 0.00 O ATOM 934 CB GLN A 60 12.119 -6.162 -7.948 1.00 0.00 C ATOM 935 CG GLN A 60 11.721 -7.609 -7.707 1.00 0.00 C ATOM 936 CD GLN A 60 11.924 -8.512 -8.917 1.00 0.00 C ATOM 937 OE1 GLN A 60 11.844 -7.950 -10.120 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 12.156 -9.711 -8.768 1.00 0.00 N flip ATOM 0 H GLN A 60 10.266 -6.220 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 60 11.419 -4.142 -7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.591 -6.093 -8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.873 -5.885 -7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.301 -8.001 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.672 -7.643 -7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.210 -10.107 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.294 -10.309 -9.583 1.00 0.00 H new ATOM 947 N ASN A 61 9.651 -6.443 -9.446 1.00 0.00 N ATOM 948 CA ASN A 61 8.775 -6.702 -10.584 1.00 0.00 C ATOM 949 C ASN A 61 9.211 -5.983 -11.871 1.00 0.00 C ATOM 950 O ASN A 61 8.466 -5.965 -12.851 1.00 0.00 O ATOM 951 CB ASN A 61 7.330 -6.347 -10.211 1.00 0.00 C ATOM 952 CG ASN A 61 7.191 -4.987 -9.543 1.00 0.00 C ATOM 953 OD1 ASN A 61 6.532 -4.093 -10.072 1.00 0.00 O ATOM 954 ND2 ASN A 61 7.806 -4.818 -8.372 1.00 0.00 N ATOM 0 H ASN A 61 9.882 -7.280 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 61 8.845 -7.766 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.716 -6.365 -11.112 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.937 -7.113 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.738 -3.924 -7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.344 -5.582 -7.963 1.00 0.00 H new ATOM 961 N VAL A 62 10.423 -5.416 -11.866 1.00 0.00 N ATOM 962 CA VAL A 62 10.983 -4.713 -13.026 1.00 0.00 C ATOM 963 C VAL A 62 9.907 -4.049 -13.877 1.00 0.00 C ATOM 964 O VAL A 62 9.984 -4.043 -15.106 1.00 0.00 O ATOM 965 CB VAL A 62 11.816 -5.661 -13.910 1.00 0.00 C ATOM 966 CG1 VAL A 62 13.210 -5.845 -13.329 1.00 0.00 C ATOM 967 CG2 VAL A 62 11.116 -7.004 -14.070 1.00 0.00 C ATOM 0 H VAL A 62 11.044 -5.432 -11.057 1.00 0.00 H new ATOM 0 HA VAL A 62 11.630 -3.934 -12.622 1.00 0.00 H new ATOM 0 HB VAL A 62 11.914 -5.211 -14.898 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.784 -6.518 -13.966 1.00 0.00 H new ATOM 0 HG12 VAL A 62 13.712 -4.879 -13.275 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.134 -6.270 -12.328 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.722 -7.658 -14.698 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.982 -7.463 -13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.142 -6.854 -14.536 1.00 0.00 H new ATOM 977 N LYS A 63 8.901 -3.502 -13.213 1.00 0.00 N ATOM 978 CA LYS A 63 7.797 -2.842 -13.909 1.00 0.00 C ATOM 979 C LYS A 63 8.163 -1.419 -14.329 1.00 0.00 C ATOM 980 O LYS A 63 7.648 -0.907 -15.323 1.00 0.00 O ATOM 981 CB LYS A 63 6.544 -2.820 -13.030 1.00 0.00 C ATOM 982 CG LYS A 63 5.885 -4.183 -12.852 1.00 0.00 C ATOM 983 CD LYS A 63 5.801 -4.961 -14.159 1.00 0.00 C ATOM 984 CE LYS A 63 5.059 -4.183 -15.237 1.00 0.00 C ATOM 985 NZ LYS A 63 5.659 -4.392 -16.584 1.00 0.00 N ATOM 0 H LYS A 63 8.822 -3.499 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 63 7.592 -3.418 -14.812 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.808 -2.425 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.819 -2.132 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.449 -4.764 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.882 -4.049 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.807 -5.195 -14.508 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.296 -5.911 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.014 -4.492 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.074 -3.121 -14.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.988 -4.080 -17.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.537 -3.841 -16.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.871 -5.401 -16.717 1.00 0.00 H new ATOM 999 N ASP A 64 9.049 -0.782 -13.569 1.00 0.00 N ATOM 1000 CA ASP A 64 9.474 0.584 -13.870 1.00 0.00 C ATOM 1001 C ASP A 64 8.323 1.580 -13.713 1.00 0.00 C ATOM 1002 O ASP A 64 8.428 2.730 -14.137 1.00 0.00 O ATOM 1003 CB ASP A 64 10.036 0.667 -15.291 1.00 0.00 C ATOM 1004 CG ASP A 64 11.183 1.652 -15.403 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.092 1.604 -14.548 1.00 0.00 O ATOM 1006 OD2 ASP A 64 11.172 2.472 -16.344 1.00 0.00 O ATOM 0 H ASP A 64 9.487 -1.188 -12.742 1.00 0.00 H new ATOM 0 HA ASP A 64 10.253 0.848 -13.155 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.377 -0.320 -15.602 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.241 0.960 -15.977 1.00 0.00 H new ATOM 1011 N LYS A 65 7.229 1.136 -13.097 1.00 0.00 N ATOM 1012 CA LYS A 65 6.068 1.996 -12.882 1.00 0.00 C ATOM 1013 C LYS A 65 5.255 1.502 -11.709 1.00 0.00 C ATOM 1014 O LYS A 65 4.234 0.834 -11.874 1.00 0.00 O ATOM 1015 CB LYS A 65 5.197 2.048 -14.130 1.00 0.00 C ATOM 1016 CG LYS A 65 3.821 2.681 -13.938 1.00 0.00 C ATOM 1017 CD LYS A 65 2.842 2.224 -15.009 1.00 0.00 C ATOM 1018 CE LYS A 65 3.349 2.543 -16.407 1.00 0.00 C ATOM 1019 NZ LYS A 65 3.174 3.981 -16.748 1.00 0.00 N ATOM 0 H LYS A 65 7.123 0.187 -12.739 1.00 0.00 H new ATOM 0 HA LYS A 65 6.428 3.002 -12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.730 2.603 -14.902 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.063 1.032 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.433 2.419 -12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.912 3.767 -13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.678 1.150 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.878 2.709 -14.852 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.404 2.279 -16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.817 1.930 -17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.532 4.156 -17.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.165 4.228 -16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.703 4.566 -16.070 1.00 0.00 H new ATOM 1033 N ASP A 66 5.705 1.850 -10.528 1.00 0.00 N ATOM 1034 CA ASP A 66 4.998 1.459 -9.324 1.00 0.00 C ATOM 1035 C ASP A 66 5.293 2.376 -8.147 1.00 0.00 C ATOM 1036 O ASP A 66 6.411 2.426 -7.648 1.00 0.00 O ATOM 1037 CB ASP A 66 5.356 0.018 -8.964 1.00 0.00 C ATOM 1038 CG ASP A 66 6.813 -0.145 -8.587 1.00 0.00 C ATOM 1039 OD1 ASP A 66 7.680 0.334 -9.348 1.00 0.00 O ATOM 1040 OD2 ASP A 66 7.089 -0.753 -7.531 1.00 0.00 O ATOM 0 H ASP A 66 6.550 2.399 -10.371 1.00 0.00 H new ATOM 0 HA ASP A 66 3.931 1.541 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.731 -0.311 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.129 -0.631 -9.810 1.00 0.00 H new ATOM 1045 N THR A 67 4.253 3.038 -7.664 1.00 0.00 N ATOM 1046 CA THR A 67 4.356 3.892 -6.493 1.00 0.00 C ATOM 1047 C THR A 67 3.392 3.344 -5.460 1.00 0.00 C ATOM 1048 O THR A 67 2.236 3.068 -5.784 1.00 0.00 O ATOM 1049 CB THR A 67 4.043 5.354 -6.845 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.239 6.099 -6.961 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.162 6.064 -5.834 1.00 0.00 C ATOM 0 H THR A 67 3.319 2.998 -8.071 1.00 0.00 H new ATOM 0 HA THR A 67 5.372 3.889 -6.099 1.00 0.00 H new ATOM 0 HB THR A 67 3.499 5.304 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.332 6.427 -7.880 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.990 7.090 -6.158 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.207 5.544 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.655 6.069 -4.862 1.00 0.00 H new ATOM 1059 N LEU A 68 3.851 3.135 -4.237 1.00 0.00 N ATOM 1060 CA LEU A 68 2.968 2.558 -3.232 1.00 0.00 C ATOM 1061 C LEU A 68 2.986 3.298 -1.906 1.00 0.00 C ATOM 1062 O LEU A 68 4.049 3.628 -1.377 1.00 0.00 O ATOM 1063 CB LEU A 68 3.321 1.083 -3.002 1.00 0.00 C ATOM 1064 CG LEU A 68 4.644 0.622 -3.622 1.00 0.00 C ATOM 1065 CD1 LEU A 68 5.074 -0.714 -3.035 1.00 0.00 C ATOM 1066 CD2 LEU A 68 4.517 0.528 -5.135 1.00 0.00 C ATOM 0 H LEU A 68 4.797 3.347 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 68 1.957 2.651 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.358 0.899 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.516 0.467 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 68 5.411 1.360 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.016 -1.024 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.206 -0.613 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.309 -1.464 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.465 0.199 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.737 -0.189 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.258 1.506 -5.540 1.00 0.00 H new ATOM 1078 N VAL A 69 1.797 3.488 -1.336 1.00 0.00 N ATOM 1079 CA VAL A 69 1.687 4.110 -0.029 1.00 0.00 C ATOM 1080 C VAL A 69 1.238 3.038 0.948 1.00 0.00 C ATOM 1081 O VAL A 69 0.186 2.436 0.761 1.00 0.00 O ATOM 1082 CB VAL A 69 0.686 5.284 -0.018 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.149 6.391 -0.954 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.706 4.807 -0.398 1.00 0.00 C ATOM 0 H VAL A 69 0.908 3.221 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 69 2.655 4.526 0.249 1.00 0.00 H new ATOM 0 HB VAL A 69 0.643 5.687 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.430 7.210 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.124 6.756 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.225 6.001 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.396 5.651 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.682 4.374 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.040 4.053 0.315 1.00 0.00 H new ATOM 1094 N PHE A 70 2.046 2.769 1.964 1.00 0.00 N ATOM 1095 CA PHE A 70 1.715 1.711 2.912 1.00 0.00 C ATOM 1096 C PHE A 70 1.167 2.245 4.222 1.00 0.00 C ATOM 1097 O PHE A 70 1.460 3.371 4.617 1.00 0.00 O ATOM 1098 CB PHE A 70 2.958 0.865 3.193 1.00 0.00 C ATOM 1099 CG PHE A 70 4.081 1.638 3.821 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.076 1.911 5.180 1.00 0.00 C ATOM 1101 CD2 PHE A 70 5.142 2.091 3.053 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.108 2.623 5.761 1.00 0.00 C ATOM 1103 CE2 PHE A 70 6.178 2.803 3.630 1.00 0.00 C ATOM 1104 CZ PHE A 70 6.160 3.069 4.985 1.00 0.00 C ATOM 0 H PHE A 70 2.921 3.258 2.153 1.00 0.00 H new ATOM 0 HA PHE A 70 0.932 1.106 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.684 0.039 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.308 0.426 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.256 1.563 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.160 1.886 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.092 2.831 6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.000 3.150 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.968 3.625 5.437 1.00 0.00 H new ATOM 1114 N HIS A 71 0.385 1.393 4.894 1.00 0.00 N ATOM 1115 CA HIS A 71 -0.221 1.715 6.195 1.00 0.00 C ATOM 1116 C HIS A 71 -1.483 0.890 6.423 1.00 0.00 C ATOM 1117 O HIS A 71 -1.534 0.056 7.325 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.566 3.203 6.315 1.00 0.00 C ATOM 1119 CG HIS A 71 -0.957 3.613 7.699 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -0.038 3.854 8.699 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -2.175 3.827 8.252 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -0.672 4.197 9.806 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -1.970 4.189 9.561 1.00 0.00 N ATOM 0 H HIS A 71 0.153 0.460 4.553 1.00 0.00 H new ATOM 0 HA HIS A 71 0.521 1.470 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.293 3.794 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.382 3.435 5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.974 3.779 8.599 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.130 3.731 7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.208 4.442 10.750 1.00 0.00 H new ATOM 1132 N SER A 72 -2.499 1.153 5.596 1.00 0.00 N ATOM 1133 CA SER A 72 -3.799 0.472 5.666 1.00 0.00 C ATOM 1134 C SER A 72 -4.845 1.396 6.282 1.00 0.00 C ATOM 1135 O SER A 72 -4.657 2.611 6.324 1.00 0.00 O ATOM 1136 CB SER A 72 -3.719 -0.842 6.454 1.00 0.00 C ATOM 1137 OG SER A 72 -4.816 -1.686 6.149 1.00 0.00 O ATOM 0 H SER A 72 -2.444 1.849 4.853 1.00 0.00 H new ATOM 0 HA SER A 72 -4.094 0.223 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.786 -1.354 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.706 -0.629 7.523 1.00 0.00 H new ATOM 0 HG SER A 72 -4.742 -2.517 6.662 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.950 0.821 6.755 1.00 0.00 N ATOM 1144 CA ALA A 73 -7.018 1.609 7.364 1.00 0.00 C ATOM 1145 C ALA A 73 -6.459 2.618 8.362 1.00 0.00 C ATOM 1146 O ALA A 73 -6.750 3.812 8.284 1.00 0.00 O ATOM 1147 CB ALA A 73 -8.027 0.695 8.044 1.00 0.00 C ATOM 0 H ALA A 73 -6.128 -0.183 6.728 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.521 2.163 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.817 1.296 8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.460 0.019 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.527 0.114 8.819 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.652 2.126 9.299 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.044 2.954 10.315 1.00 0.00 C ATOM 1155 C LEU A 74 -4.303 2.061 11.294 1.00 0.00 C ATOM 1156 O LEU A 74 -4.783 1.803 12.397 1.00 0.00 O ATOM 1157 CB LEU A 74 -6.101 3.787 11.052 1.00 0.00 C ATOM 1158 CG LEU A 74 -5.699 5.234 11.339 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -6.868 6.006 11.931 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -4.500 5.276 12.276 1.00 0.00 C ATOM 0 H LEU A 74 -5.406 1.138 9.368 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.348 3.647 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.016 3.791 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.334 3.296 11.997 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.418 5.707 10.398 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.563 7.034 12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.700 6.004 11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.181 5.535 12.863 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.226 6.313 12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.755 4.786 13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.659 4.759 11.814 1.00 0.00 H new ATOM 1172 N SER A 75 -3.130 1.577 10.882 1.00 0.00 N ATOM 1173 CA SER A 75 -2.323 0.699 11.727 1.00 0.00 C ATOM 1174 C SER A 75 -2.243 1.226 13.162 1.00 0.00 C ATOM 1175 O SER A 75 -1.950 0.479 14.096 1.00 0.00 O ATOM 1176 CB SER A 75 -0.921 0.552 11.140 1.00 0.00 C ATOM 1177 OG SER A 75 -0.831 -0.595 10.313 1.00 0.00 O ATOM 0 H SER A 75 -2.719 1.778 9.970 1.00 0.00 H new ATOM 0 HA SER A 75 -2.805 -0.278 11.756 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.671 1.441 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.191 0.480 11.947 1.00 0.00 H new ATOM 0 HG SER A 75 -1.059 -0.352 9.391 1.00 0.00 H new ATOM 1183 N GLN A 76 -2.527 2.514 13.324 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.514 3.159 14.640 1.00 0.00 C ATOM 1185 C GLN A 76 -1.133 3.131 15.303 1.00 0.00 C ATOM 1186 O GLN A 76 -1.005 3.525 16.460 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.528 2.482 15.566 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.974 2.711 15.162 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.791 1.433 15.182 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -5.340 0.431 14.437 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -6.814 1.347 15.862 1.00 0.00 N flip ATOM 0 H GLN A 76 -2.771 3.139 12.556 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.781 4.203 14.478 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.331 1.410 15.584 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.381 2.850 16.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.426 3.438 15.837 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.005 3.143 14.162 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.124 2.143 16.420 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.351 0.480 15.867 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.111 2.672 14.574 1.00 0.00 N ATOM 1201 CA VAL A 77 1.261 2.596 15.101 1.00 0.00 C ATOM 1202 C VAL A 77 2.068 1.525 14.364 1.00 0.00 C ATOM 1203 O VAL A 77 3.298 1.533 14.395 1.00 0.00 O ATOM 1204 CB VAL A 77 1.291 2.300 16.628 1.00 0.00 C ATOM 1205 CG1 VAL A 77 2.384 1.301 16.994 1.00 0.00 C ATOM 1206 CG2 VAL A 77 1.477 3.589 17.415 1.00 0.00 C ATOM 0 H VAL A 77 -0.206 2.345 13.612 1.00 0.00 H new ATOM 0 HA VAL A 77 1.711 3.575 14.935 1.00 0.00 H new ATOM 0 HB VAL A 77 0.332 1.853 16.891 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.369 1.123 18.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.210 0.362 16.469 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.355 1.703 16.706 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.496 3.365 18.481 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.417 4.059 17.126 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.651 4.268 17.202 1.00 0.00 H new ATOM 1216 N ARG A 78 1.367 0.597 13.720 1.00 0.00 N ATOM 1217 CA ARG A 78 2.006 -0.488 12.986 1.00 0.00 C ATOM 1218 C ARG A 78 2.553 -0.021 11.641 1.00 0.00 C ATOM 1219 O ARG A 78 3.461 -0.642 11.100 1.00 0.00 O ATOM 1220 CB ARG A 78 1.039 -1.657 12.799 1.00 0.00 C ATOM 1221 CG ARG A 78 0.397 -2.117 14.097 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.884 -2.891 13.839 1.00 0.00 C ATOM 1223 NE ARG A 78 -0.709 -3.897 12.797 1.00 0.00 N ATOM 1224 CZ ARG A 78 -1.699 -4.354 12.034 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -2.941 -3.921 12.214 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -1.448 -5.252 11.094 1.00 0.00 N ATOM 0 H ARG A 78 0.348 0.576 13.692 1.00 0.00 H new ATOM 0 HA ARG A 78 2.853 -0.828 13.581 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.257 -1.365 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.573 -2.494 12.349 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.098 -2.744 14.649 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.181 -1.252 14.724 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.208 -3.375 14.760 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.674 -2.199 13.547 1.00 0.00 H new ATOM 0 HE ARG A 78 0.227 -4.272 12.644 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.141 -3.234 12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.695 -4.275 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.497 -5.593 10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.206 -5.603 10.509 1.00 0.00 H new ATOM 1240 N GLY A 79 1.996 1.063 11.095 1.00 0.00 N ATOM 1241 CA GLY A 79 2.464 1.573 9.810 1.00 0.00 C ATOM 1242 C GLY A 79 3.973 1.436 9.659 1.00 0.00 C ATOM 1243 O GLY A 79 4.453 0.831 8.702 1.00 0.00 O ATOM 0 H GLY A 79 1.234 1.594 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.968 1.033 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.183 2.622 9.712 1.00 0.00 H new ATOM 1247 N PRO A 80 4.746 1.959 10.630 1.00 0.00 N ATOM 1248 CA PRO A 80 6.202 1.846 10.615 1.00 0.00 C ATOM 1249 C PRO A 80 6.605 0.386 10.501 1.00 0.00 C ATOM 1250 O PRO A 80 7.566 0.044 9.812 1.00 0.00 O ATOM 1251 CB PRO A 80 6.633 2.426 11.965 1.00 0.00 C ATOM 1252 CG PRO A 80 5.498 3.292 12.391 1.00 0.00 C ATOM 1253 CD PRO A 80 4.257 2.658 11.828 1.00 0.00 C ATOM 0 HA PRO A 80 6.665 2.365 9.776 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.822 1.636 12.692 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.555 3.000 11.872 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.444 3.357 13.478 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.621 4.308 12.016 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.801 1.968 12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.502 3.404 11.578 1.00 0.00 H new ATOM 1261 N THR A 81 5.827 -0.480 11.155 1.00 0.00 N ATOM 1262 CA THR A 81 6.067 -1.913 11.094 1.00 0.00 C ATOM 1263 C THR A 81 5.967 -2.366 9.644 1.00 0.00 C ATOM 1264 O THR A 81 6.719 -3.230 9.197 1.00 0.00 O ATOM 1265 CB THR A 81 5.057 -2.669 11.959 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.736 -1.925 13.120 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.551 -4.027 12.407 1.00 0.00 C ATOM 0 H THR A 81 5.029 -0.209 11.730 1.00 0.00 H new ATOM 0 HA THR A 81 7.063 -2.129 11.480 1.00 0.00 H new ATOM 0 HB THR A 81 4.182 -2.810 11.325 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.217 -2.485 13.734 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.787 -4.509 13.016 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.761 -4.644 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.461 -3.907 12.994 1.00 0.00 H new ATOM 1275 N CYS A 82 5.054 -1.742 8.901 1.00 0.00 N ATOM 1276 CA CYS A 82 4.891 -2.051 7.489 1.00 0.00 C ATOM 1277 C CYS A 82 6.195 -1.733 6.774 1.00 0.00 C ATOM 1278 O CYS A 82 6.614 -2.442 5.861 1.00 0.00 O ATOM 1279 CB CYS A 82 3.738 -1.250 6.882 1.00 0.00 C ATOM 1280 SG CYS A 82 2.199 -1.339 7.828 1.00 0.00 S ATOM 0 H CYS A 82 4.421 -1.024 9.254 1.00 0.00 H new ATOM 0 HA CYS A 82 4.650 -3.108 7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 82 4.040 -0.206 6.797 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.552 -1.611 5.871 1.00 0.00 H new ATOM 0 HG CYS A 82 2.447 -1.110 9.083 1.00 0.00 H new ATOM 1286 N ALA A 83 6.851 -0.670 7.234 1.00 0.00 N ATOM 1287 CA ALA A 83 8.133 -0.286 6.670 1.00 0.00 C ATOM 1288 C ALA A 83 9.158 -1.352 7.014 1.00 0.00 C ATOM 1289 O ALA A 83 10.034 -1.671 6.210 1.00 0.00 O ATOM 1290 CB ALA A 83 8.568 1.078 7.185 1.00 0.00 C ATOM 0 H ALA A 83 6.517 -0.068 7.987 1.00 0.00 H new ATOM 0 HA ALA A 83 8.044 -0.206 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.531 1.342 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.826 1.826 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.660 1.045 8.271 1.00 0.00 H new ATOM 1296 N ARG A 84 9.010 -1.936 8.204 1.00 0.00 N ATOM 1297 CA ARG A 84 9.894 -3.007 8.632 1.00 0.00 C ATOM 1298 C ARG A 84 9.741 -4.169 7.664 1.00 0.00 C ATOM 1299 O ARG A 84 10.705 -4.858 7.340 1.00 0.00 O ATOM 1300 CB ARG A 84 9.581 -3.449 10.065 1.00 0.00 C ATOM 1301 CG ARG A 84 9.940 -2.407 11.112 1.00 0.00 C ATOM 1302 CD ARG A 84 10.629 -3.038 12.313 1.00 0.00 C ATOM 1303 NE ARG A 84 9.711 -3.850 13.107 1.00 0.00 N ATOM 1304 CZ ARG A 84 9.933 -4.198 14.373 1.00 0.00 C ATOM 1305 NH1 ARG A 84 11.040 -3.810 14.993 1.00 0.00 N ATOM 1306 NH2 ARG A 84 9.043 -4.935 15.021 1.00 0.00 N ATOM 0 H ARG A 84 8.290 -1.684 8.881 1.00 0.00 H new ATOM 0 HA ARG A 84 10.924 -2.651 8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.518 -3.679 10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.123 -4.370 10.279 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.594 -1.655 10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.037 -1.892 11.439 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.458 -3.658 11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.054 -2.254 12.940 1.00 0.00 H new ATOM 0 HE ARG A 84 8.849 -4.170 12.666 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.728 -3.241 14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.203 -4.081 15.963 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.189 -5.235 14.550 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.211 -5.203 15.991 1.00 0.00 H new ATOM 1320 N ARG A 85 8.516 -4.354 7.167 1.00 0.00 N ATOM 1321 CA ARG A 85 8.250 -5.399 6.194 1.00 0.00 C ATOM 1322 C ARG A 85 9.088 -5.122 4.954 1.00 0.00 C ATOM 1323 O ARG A 85 9.651 -6.037 4.351 1.00 0.00 O ATOM 1324 CB ARG A 85 6.762 -5.458 5.842 1.00 0.00 C ATOM 1325 CG ARG A 85 5.974 -6.444 6.691 1.00 0.00 C ATOM 1326 CD ARG A 85 5.270 -5.749 7.844 1.00 0.00 C ATOM 1327 NE ARG A 85 4.606 -6.697 8.736 1.00 0.00 N ATOM 1328 CZ ARG A 85 3.939 -6.343 9.833 1.00 0.00 C ATOM 1329 NH1 ARG A 85 3.846 -5.064 10.176 1.00 0.00 N ATOM 1330 NH2 ARG A 85 3.364 -7.269 10.588 1.00 0.00 N ATOM 0 H ARG A 85 7.702 -3.795 7.424 1.00 0.00 H new ATOM 0 HA ARG A 85 8.518 -6.368 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.330 -4.464 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.656 -5.730 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.239 -6.954 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.646 -7.208 7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.995 -5.165 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.535 -5.048 7.449 1.00 0.00 H new ATOM 0 HE ARG A 85 4.656 -7.689 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.286 -4.348 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.334 -4.797 11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.432 -8.253 10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.853 -6.997 11.428 1.00 0.00 H new ATOM 1344 N LEU A 86 9.213 -3.835 4.610 1.00 0.00 N ATOM 1345 CA LEU A 86 10.044 -3.448 3.478 1.00 0.00 C ATOM 1346 C LEU A 86 11.481 -3.863 3.780 1.00 0.00 C ATOM 1347 O LEU A 86 12.230 -4.273 2.899 1.00 0.00 O ATOM 1348 CB LEU A 86 9.954 -1.938 3.232 1.00 0.00 C ATOM 1349 CG LEU A 86 9.464 -1.537 1.840 1.00 0.00 C ATOM 1350 CD1 LEU A 86 10.370 -2.120 0.768 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.026 -1.989 1.631 1.00 0.00 C ATOM 0 H LEU A 86 8.756 -3.061 5.093 1.00 0.00 H new ATOM 0 HA LEU A 86 9.697 -3.946 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.285 -1.503 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.939 -1.500 3.394 1.00 0.00 H new ATOM 0 HG LEU A 86 9.497 -0.450 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.006 -1.824 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.385 -1.747 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.370 -3.207 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.693 -1.695 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.968 -3.073 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.386 -1.523 2.380 1.00 0.00 H new ATOM 1363 N VAL A 87 11.826 -3.800 5.067 1.00 0.00 N ATOM 1364 CA VAL A 87 13.135 -4.221 5.521 1.00 0.00 C ATOM 1365 C VAL A 87 13.257 -5.711 5.278 1.00 0.00 C ATOM 1366 O VAL A 87 14.311 -6.199 4.902 1.00 0.00 O ATOM 1367 CB VAL A 87 13.374 -3.918 7.013 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.811 -4.240 7.398 1.00 0.00 C ATOM 1369 CG2 VAL A 87 13.044 -2.468 7.326 1.00 0.00 C ATOM 0 H VAL A 87 11.211 -3.460 5.807 1.00 0.00 H new ATOM 0 HA VAL A 87 13.887 -3.662 4.965 1.00 0.00 H new ATOM 0 HB VAL A 87 12.711 -4.551 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.963 -4.020 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.009 -5.296 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.492 -3.634 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.220 -2.275 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.678 -1.813 6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.998 -2.274 7.091 1.00 0.00 H new ATOM 1379 N ASN A 88 12.141 -6.424 5.462 1.00 0.00 N ATOM 1380 CA ASN A 88 12.106 -7.861 5.218 1.00 0.00 C ATOM 1381 C ASN A 88 12.473 -8.120 3.762 1.00 0.00 C ATOM 1382 O ASN A 88 13.032 -9.162 3.425 1.00 0.00 O ATOM 1383 CB ASN A 88 10.706 -8.434 5.563 1.00 0.00 C ATOM 1384 CG ASN A 88 10.032 -9.216 4.428 1.00 0.00 C ATOM 1385 OD1 ASN A 88 10.692 -9.727 3.524 1.00 0.00 O ATOM 1386 ND2 ASN A 88 8.702 -9.326 4.479 1.00 0.00 N ATOM 0 H ASN A 88 11.256 -6.027 5.778 1.00 0.00 H new ATOM 0 HA ASN A 88 12.828 -8.367 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 88 10.800 -9.088 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.054 -7.611 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.205 -9.845 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.183 -8.891 5.242 1.00 0.00 H new ATOM 1393 N TYR A 89 12.152 -7.151 2.908 1.00 0.00 N ATOM 1394 CA TYR A 89 12.445 -7.248 1.484 1.00 0.00 C ATOM 1395 C TYR A 89 13.935 -7.154 1.238 1.00 0.00 C ATOM 1396 O TYR A 89 14.574 -8.119 0.807 1.00 0.00 O ATOM 1397 CB TYR A 89 11.709 -6.131 0.724 1.00 0.00 C ATOM 1398 CG TYR A 89 12.022 -6.056 -0.754 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.225 -5.539 -1.215 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.110 -6.519 -1.683 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.506 -5.486 -2.566 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.378 -6.474 -3.042 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.584 -5.954 -3.477 1.00 0.00 C ATOM 1404 OH TYR A 89 12.866 -5.901 -4.824 1.00 0.00 O ATOM 0 H TYR A 89 11.686 -6.286 3.182 1.00 0.00 H new ATOM 0 HA TYR A 89 12.099 -8.216 1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.635 -6.274 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.958 -5.174 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.953 -5.172 -0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.169 -6.924 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.446 -5.079 -2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.653 -6.841 -3.754 1.00 0.00 H new ATOM 0 HH TYR A 89 12.942 -6.812 -5.178 1.00 0.00 H new ATOM 1414 N LEU A 90 14.490 -5.987 1.518 1.00 0.00 N ATOM 1415 CA LEU A 90 15.909 -5.802 1.316 1.00 0.00 C ATOM 1416 C LEU A 90 16.657 -6.886 2.076 1.00 0.00 C ATOM 1417 O LEU A 90 17.705 -7.367 1.644 1.00 0.00 O ATOM 1418 CB LEU A 90 16.351 -4.405 1.767 1.00 0.00 C ATOM 1419 CG LEU A 90 17.865 -4.154 1.775 1.00 0.00 C ATOM 1420 CD1 LEU A 90 18.511 -4.795 2.993 1.00 0.00 C ATOM 1421 CD2 LEU A 90 18.507 -4.667 0.492 1.00 0.00 C ATOM 0 H LEU A 90 13.990 -5.173 1.877 1.00 0.00 H new ATOM 0 HA LEU A 90 16.138 -5.882 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.883 -3.668 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.967 -4.230 2.772 1.00 0.00 H new ATOM 0 HG LEU A 90 18.029 -3.078 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.584 -4.605 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.080 -4.370 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.333 -5.870 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 90 19.580 -4.478 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.330 -5.739 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 90 18.071 -4.152 -0.364 1.00 0.00 H new ATOM 1433 N ASP A 91 16.073 -7.288 3.199 1.00 0.00 N ATOM 1434 CA ASP A 91 16.631 -8.343 4.021 1.00 0.00 C ATOM 1435 C ASP A 91 16.480 -9.673 3.316 1.00 0.00 C ATOM 1436 O ASP A 91 17.355 -10.534 3.409 1.00 0.00 O ATOM 1437 CB ASP A 91 15.968 -8.396 5.402 1.00 0.00 C ATOM 1438 CG ASP A 91 16.899 -8.937 6.469 1.00 0.00 C ATOM 1439 OD1 ASP A 91 17.475 -10.026 6.258 1.00 0.00 O ATOM 1440 OD2 ASP A 91 17.054 -8.272 7.515 1.00 0.00 O ATOM 0 H ASP A 91 15.205 -6.892 3.559 1.00 0.00 H new ATOM 0 HA ASP A 91 17.689 -8.129 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.640 -7.395 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.077 -9.021 5.350 1.00 0.00 H new ATOM 1445 N GLU A 92 15.382 -9.834 2.569 1.00 0.00 N ATOM 1446 CA GLU A 92 15.182 -11.064 1.824 1.00 0.00 C ATOM 1447 C GLU A 92 16.400 -11.296 0.947 1.00 0.00 C ATOM 1448 O GLU A 92 16.689 -12.424 0.548 1.00 0.00 O ATOM 1449 CB GLU A 92 13.913 -11.009 0.974 1.00 0.00 C ATOM 1450 CG GLU A 92 13.554 -12.352 0.355 1.00 0.00 C ATOM 1451 CD GLU A 92 12.573 -12.232 -0.794 1.00 0.00 C ATOM 1452 OE1 GLU A 92 11.739 -11.305 -0.767 1.00 0.00 O ATOM 1453 OE2 GLU A 92 12.639 -13.068 -1.721 1.00 0.00 O ATOM 0 H GLU A 92 14.639 -9.142 2.470 1.00 0.00 H new ATOM 0 HA GLU A 92 15.058 -11.889 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.083 -10.666 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.045 -10.273 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.463 -12.837 -0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.128 -12.997 1.123 1.00 0.00 H new ATOM 1460 N LYS A 93 17.129 -10.200 0.681 1.00 0.00 N ATOM 1461 CA LYS A 93 18.359 -10.244 -0.117 1.00 0.00 C ATOM 1462 C LYS A 93 18.067 -9.985 -1.573 1.00 0.00 C ATOM 1463 O LYS A 93 18.467 -10.746 -2.454 1.00 0.00 O ATOM 1464 CB LYS A 93 19.077 -11.579 0.048 1.00 0.00 C ATOM 1465 CG LYS A 93 20.593 -11.472 -0.004 1.00 0.00 C ATOM 1466 CD LYS A 93 21.231 -12.805 -0.361 1.00 0.00 C ATOM 1467 CE LYS A 93 22.618 -12.939 0.245 1.00 0.00 C ATOM 1468 NZ LYS A 93 22.969 -14.359 0.521 1.00 0.00 N ATOM 0 H LYS A 93 16.883 -9.267 1.011 1.00 0.00 H new ATOM 0 HA LYS A 93 19.016 -9.456 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.786 -12.022 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.743 -12.260 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.881 -10.720 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.969 -11.134 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.598 -13.619 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.296 -12.900 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.354 -12.509 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.666 -12.367 1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.922 -14.407 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.282 -14.763 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.948 -14.901 -0.367 1.00 0.00 H new ATOM 1482 N LYS A 94 17.367 -8.900 -1.813 1.00 0.00 N ATOM 1483 CA LYS A 94 17.017 -8.526 -3.178 1.00 0.00 C ATOM 1484 C LYS A 94 17.024 -7.014 -3.372 1.00 0.00 C ATOM 1485 O LYS A 94 15.996 -6.411 -3.678 1.00 0.00 O ATOM 1486 CB LYS A 94 15.657 -9.105 -3.559 1.00 0.00 C ATOM 1487 CG LYS A 94 15.576 -9.557 -5.009 1.00 0.00 C ATOM 1488 CD LYS A 94 15.836 -11.050 -5.139 1.00 0.00 C ATOM 1489 CE LYS A 94 16.170 -11.435 -6.572 1.00 0.00 C ATOM 1490 NZ LYS A 94 17.619 -11.262 -6.869 1.00 0.00 N ATOM 0 H LYS A 94 17.028 -8.262 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 94 17.778 -8.945 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.437 -9.952 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.887 -8.355 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.591 -9.321 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.304 -9.006 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.659 -11.336 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.957 -11.604 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.885 -12.473 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.583 -10.825 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.806 -11.535 -7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.886 -10.267 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.178 -11.864 -6.231 1.00 0.00 H new ATOM 1504 N GLU A 95 18.198 -6.411 -3.209 1.00 0.00 N ATOM 1505 CA GLU A 95 18.352 -4.970 -3.381 1.00 0.00 C ATOM 1506 C GLU A 95 17.294 -4.199 -2.600 1.00 0.00 C ATOM 1507 O GLU A 95 16.475 -4.786 -1.891 1.00 0.00 O ATOM 1508 CB GLU A 95 18.270 -4.607 -4.865 1.00 0.00 C ATOM 1509 CG GLU A 95 19.475 -5.063 -5.671 1.00 0.00 C ATOM 1510 CD GLU A 95 19.471 -4.517 -7.084 1.00 0.00 C ATOM 1511 OE1 GLU A 95 18.372 -4.302 -7.636 1.00 0.00 O ATOM 1512 OE2 GLU A 95 20.570 -4.302 -7.640 1.00 0.00 O ATOM 0 H GLU A 95 19.058 -6.899 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 95 19.331 -4.690 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.370 -5.052 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.167 -3.526 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.387 -4.746 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.493 -6.152 -5.706 1.00 0.00 H new ATOM 1519 N ASP A 96 17.318 -2.880 -2.738 1.00 0.00 N ATOM 1520 CA ASP A 96 16.365 -2.021 -2.051 1.00 0.00 C ATOM 1521 C ASP A 96 15.645 -1.116 -3.045 1.00 0.00 C ATOM 1522 O ASP A 96 16.104 -0.927 -4.172 1.00 0.00 O ATOM 1523 CB ASP A 96 17.078 -1.179 -0.994 1.00 0.00 C ATOM 1524 CG ASP A 96 18.328 -0.512 -1.534 1.00 0.00 C ATOM 1525 OD1 ASP A 96 19.364 -1.200 -1.656 1.00 0.00 O ATOM 1526 OD2 ASP A 96 18.272 0.698 -1.836 1.00 0.00 O ATOM 0 H ASP A 96 17.990 -2.381 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 96 15.625 -2.652 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.395 -0.416 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.344 -1.812 -0.148 1.00 0.00 H new ATOM 1531 N THR A 97 14.517 -0.559 -2.621 1.00 0.00 N ATOM 1532 CA THR A 97 13.733 0.327 -3.473 1.00 0.00 C ATOM 1533 C THR A 97 13.181 -0.427 -4.685 1.00 0.00 C ATOM 1534 O THR A 97 13.015 -1.646 -4.645 1.00 0.00 O ATOM 1535 CB THR A 97 14.581 1.520 -3.928 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.770 1.616 -3.164 1.00 0.00 O ATOM 1537 CG2 THR A 97 13.855 2.843 -3.814 1.00 0.00 C ATOM 0 H THR A 97 14.124 -0.705 -1.691 1.00 0.00 H new ATOM 0 HA THR A 97 12.890 0.699 -2.891 1.00 0.00 H new ATOM 0 HB THR A 97 14.804 1.331 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.296 2.383 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.509 3.647 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.958 2.821 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.574 3.015 -2.775 1.00 0.00 H new ATOM 1545 N GLY A 98 12.888 0.308 -5.756 1.00 0.00 N ATOM 1546 CA GLY A 98 12.346 -0.301 -6.956 1.00 0.00 C ATOM 1547 C GLY A 98 11.077 0.392 -7.399 1.00 0.00 C ATOM 1548 O GLY A 98 10.802 0.513 -8.593 1.00 0.00 O ATOM 0 H GLY A 98 13.018 1.318 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.086 -0.256 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.141 -1.355 -6.771 1.00 0.00 H new ATOM 1552 N ILE A 99 10.311 0.860 -6.422 1.00 0.00 N ATOM 1553 CA ILE A 99 9.063 1.565 -6.685 1.00 0.00 C ATOM 1554 C ILE A 99 9.327 2.936 -7.281 1.00 0.00 C ATOM 1555 O ILE A 99 10.241 3.639 -6.851 1.00 0.00 O ATOM 1556 CB ILE A 99 8.216 1.764 -5.406 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.947 2.647 -4.380 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.834 0.433 -4.792 1.00 0.00 C ATOM 1559 CD1 ILE A 99 10.104 1.964 -3.677 1.00 0.00 C ATOM 0 H ILE A 99 10.535 0.763 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 99 8.512 0.939 -7.387 1.00 0.00 H new ATOM 0 HB ILE A 99 7.301 2.279 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.320 3.538 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.230 2.982 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.239 0.604 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.251 -0.145 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.736 -0.119 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.562 2.658 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.738 1.089 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.845 1.653 -4.414 1.00 0.00 H new ATOM 1571 N LYS A 100 8.506 3.333 -8.248 1.00 0.00 N ATOM 1572 CA LYS A 100 8.658 4.651 -8.848 1.00 0.00 C ATOM 1573 C LYS A 100 8.734 5.691 -7.734 1.00 0.00 C ATOM 1574 O LYS A 100 9.597 6.567 -7.740 1.00 0.00 O ATOM 1575 CB LYS A 100 7.488 4.959 -9.788 1.00 0.00 C ATOM 1576 CG LYS A 100 7.514 6.371 -10.355 1.00 0.00 C ATOM 1577 CD LYS A 100 8.871 6.715 -10.949 1.00 0.00 C ATOM 1578 CE LYS A 100 9.155 5.899 -12.201 1.00 0.00 C ATOM 1579 NZ LYS A 100 8.662 6.580 -13.430 1.00 0.00 N ATOM 0 H LYS A 100 7.743 2.772 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 100 9.573 4.676 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.498 4.246 -10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.552 4.810 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.746 6.469 -11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.271 7.084 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.905 7.777 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.650 6.531 -10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.228 5.727 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.681 4.921 -12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.874 5.992 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.634 6.722 -13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.133 7.502 -13.528 1.00 0.00 H new ATOM 1593 N ASN A 101 7.834 5.555 -6.759 1.00 0.00 N ATOM 1594 CA ASN A 101 7.808 6.448 -5.609 1.00 0.00 C ATOM 1595 C ASN A 101 7.182 5.766 -4.388 1.00 0.00 C ATOM 1596 O ASN A 101 6.045 5.298 -4.436 1.00 0.00 O ATOM 1597 CB ASN A 101 7.041 7.730 -5.946 1.00 0.00 C ATOM 1598 CG ASN A 101 7.814 8.981 -5.581 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.995 9.112 -5.906 1.00 0.00 O ATOM 1600 ND2 ASN A 101 7.151 9.910 -4.902 1.00 0.00 N ATOM 0 H ASN A 101 7.114 4.833 -6.747 1.00 0.00 H new ATOM 0 HA ASN A 101 8.839 6.704 -5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.815 7.745 -7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.088 7.729 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.620 10.774 -4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.173 9.760 -4.654 1.00 0.00 H new ATOM 1607 N ILE A 102 7.938 5.737 -3.289 1.00 0.00 N ATOM 1608 CA ILE A 102 7.473 5.142 -2.042 1.00 0.00 C ATOM 1609 C ILE A 102 6.898 6.217 -1.120 1.00 0.00 C ATOM 1610 O ILE A 102 7.512 7.262 -0.908 1.00 0.00 O ATOM 1611 CB ILE A 102 8.609 4.395 -1.314 1.00 0.00 C ATOM 1612 CG1 ILE A 102 8.095 3.755 -0.020 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.769 5.337 -1.026 1.00 0.00 C ATOM 1614 CD1 ILE A 102 7.935 2.254 -0.113 1.00 0.00 C ATOM 0 H ILE A 102 8.881 6.123 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 102 6.694 4.423 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 102 8.969 3.599 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.784 3.990 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.134 4.200 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.561 4.792 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.154 5.738 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.424 6.157 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.568 1.868 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.223 2.012 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.899 1.799 -0.342 1.00 0.00 H new ATOM 1626 N MET A 103 5.707 5.959 -0.594 1.00 0.00 N ATOM 1627 CA MET A 103 5.032 6.905 0.286 1.00 0.00 C ATOM 1628 C MET A 103 4.313 6.176 1.420 1.00 0.00 C ATOM 1629 O MET A 103 4.196 4.952 1.396 1.00 0.00 O ATOM 1630 CB MET A 103 4.024 7.720 -0.529 1.00 0.00 C ATOM 1631 CG MET A 103 4.659 8.811 -1.377 1.00 0.00 C ATOM 1632 SD MET A 103 3.749 9.117 -2.904 1.00 0.00 S ATOM 1633 CE MET A 103 4.092 10.855 -3.167 1.00 0.00 C ATOM 0 H MET A 103 5.186 5.098 -0.763 1.00 0.00 H new ATOM 0 HA MET A 103 5.776 7.569 0.726 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.467 7.046 -1.179 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.304 8.175 0.151 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.711 9.733 -0.798 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.684 8.529 -1.619 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.070 11.073 -4.235 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.338 11.456 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.077 11.096 -2.768 1.00 0.00 H new ATOM 1643 N ILE A 104 3.817 6.922 2.413 1.00 0.00 N ATOM 1644 CA ILE A 104 3.095 6.303 3.516 1.00 0.00 C ATOM 1645 C ILE A 104 1.721 6.958 3.692 1.00 0.00 C ATOM 1646 O ILE A 104 1.596 8.163 3.892 1.00 0.00 O ATOM 1647 CB ILE A 104 3.913 6.326 4.833 1.00 0.00 C ATOM 1648 CG1 ILE A 104 3.268 5.433 5.897 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.088 7.739 5.355 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.914 5.915 6.367 1.00 0.00 C ATOM 0 H ILE A 104 3.903 7.937 2.471 1.00 0.00 H new ATOM 0 HA ILE A 104 2.942 5.253 3.266 1.00 0.00 H new ATOM 0 HB ILE A 104 4.903 5.929 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.164 4.425 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.937 5.367 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.666 7.717 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.614 8.339 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.110 8.179 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.525 5.229 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.012 6.911 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.228 5.953 5.521 1.00 0.00 H new ATOM 1662 N LEU A 105 0.693 6.121 3.585 1.00 0.00 N ATOM 1663 CA LEU A 105 -0.698 6.548 3.687 1.00 0.00 C ATOM 1664 C LEU A 105 -1.165 6.674 5.139 1.00 0.00 C ATOM 1665 O LEU A 105 -0.856 5.836 5.982 1.00 0.00 O ATOM 1666 CB LEU A 105 -1.570 5.548 2.929 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.070 5.624 3.215 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -3.839 5.871 1.928 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.540 4.344 3.893 1.00 0.00 C ATOM 0 H LEU A 105 0.803 5.120 3.424 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.787 7.541 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.415 5.696 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.225 4.541 3.165 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.261 6.458 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.906 5.923 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.513 6.812 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.651 5.056 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.610 4.409 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.344 3.493 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.004 4.212 4.833 1.00 0.00 H new ATOM 1681 N GLU A 106 -1.921 7.732 5.416 1.00 0.00 N ATOM 1682 CA GLU A 106 -2.441 7.976 6.760 1.00 0.00 C ATOM 1683 C GLU A 106 -3.955 7.761 6.820 1.00 0.00 C ATOM 1684 O GLU A 106 -4.510 7.510 7.890 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.096 9.397 7.217 1.00 0.00 C ATOM 1686 CG GLU A 106 -2.067 10.418 6.087 1.00 0.00 C ATOM 1687 CD GLU A 106 -0.697 10.541 5.450 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -0.033 9.500 5.261 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -0.288 11.680 5.140 1.00 0.00 O ATOM 0 H GLU A 106 -2.188 8.436 4.728 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.969 7.260 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.824 9.715 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.123 9.384 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.794 10.133 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.373 11.390 6.472 1.00 0.00 H new ATOM 1696 N ARG A 107 -4.619 7.863 5.671 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.068 7.682 5.601 1.00 0.00 C ATOM 1698 C ARG A 107 -6.425 6.225 5.319 1.00 0.00 C ATOM 1699 O ARG A 107 -6.963 5.530 6.180 1.00 0.00 O ATOM 1700 CB ARG A 107 -6.661 8.583 4.514 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.166 8.429 4.349 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.912 9.665 4.825 1.00 0.00 C ATOM 1703 NE ARG A 107 -8.838 9.824 6.274 1.00 0.00 N ATOM 1704 CZ ARG A 107 -9.676 10.578 6.983 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -10.652 11.244 6.379 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -9.536 10.666 8.298 1.00 0.00 N ATOM 0 H ARG A 107 -4.177 8.070 4.775 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.490 7.959 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.434 9.622 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.175 8.360 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.400 8.243 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.507 7.559 4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.495 10.549 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.956 9.598 4.521 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.100 9.328 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.763 11.180 5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.291 11.820 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.787 10.156 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.177 11.243 8.842 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.125 5.771 4.107 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.427 4.400 3.737 1.00 0.00 C ATOM 1722 C GLY A 108 -7.909 4.149 3.584 1.00 0.00 C ATOM 1723 O GLY A 108 -8.462 4.299 2.494 1.00 0.00 O ATOM 0 H GLY A 108 -5.679 6.326 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.924 4.162 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.025 3.727 4.494 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.557 3.763 4.675 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.985 3.488 4.646 1.00 0.00 C ATOM 1729 C PHE A 109 -10.572 3.425 6.052 1.00 0.00 C ATOM 1730 O PHE A 109 -11.579 2.753 6.276 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.256 2.178 3.904 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.613 0.978 4.539 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -8.305 0.635 4.238 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -10.319 0.191 5.436 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -7.712 -0.470 4.818 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -9.732 -0.916 6.019 1.00 0.00 C ATOM 1737 CZ PHE A 109 -8.427 -1.247 5.709 1.00 0.00 C ATOM 0 H PHE A 109 -8.118 3.634 5.587 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.471 4.308 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -11.333 2.017 3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.898 2.271 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -7.742 1.239 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -11.339 0.446 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -6.691 -0.726 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -10.293 -1.521 6.716 1.00 0.00 H new ATOM 0 HZ PHE A 109 -7.966 -2.112 6.163 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.957 4.136 6.998 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.461 4.148 8.367 1.00 0.00 C ATOM 1749 C ASN A 110 -11.858 4.756 8.389 1.00 0.00 C ATOM 1750 O ASN A 110 -12.796 4.163 8.920 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.524 4.932 9.293 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.228 6.331 8.789 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -10.081 7.218 8.845 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -8.012 6.538 8.300 1.00 0.00 N ATOM 0 H ASN A 110 -9.123 4.702 6.843 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.506 3.122 8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.972 4.996 10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.587 4.385 9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.753 7.461 7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.336 5.774 8.273 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.992 5.925 7.772 1.00 0.00 N ATOM 1762 CA GLY A 111 -13.276 6.579 7.689 1.00 0.00 C ATOM 1763 C GLY A 111 -14.225 5.787 6.823 1.00 0.00 C ATOM 1764 O GLY A 111 -15.428 5.781 7.049 1.00 0.00 O ATOM 0 H GLY A 111 -11.226 6.431 7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.697 6.693 8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.153 7.581 7.279 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.672 5.110 5.821 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.473 4.302 4.916 1.00 0.00 C ATOM 1770 C TRP A 112 -15.233 3.236 5.690 1.00 0.00 C ATOM 1771 O TRP A 112 -16.450 3.134 5.580 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.550 3.648 3.884 1.00 0.00 C ATOM 1773 CG TRP A 112 -14.231 2.630 3.029 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -15.032 1.615 3.454 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.162 2.520 1.604 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -15.490 0.899 2.393 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -14.962 1.424 1.237 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -13.507 3.245 0.606 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -15.122 1.035 -0.093 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -13.664 2.857 -0.711 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -14.467 1.761 -1.049 1.00 0.00 C ATOM 0 H TRP A 112 -12.672 5.107 5.618 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.199 4.937 4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -13.128 4.423 3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -12.717 3.175 4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -15.270 1.408 4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -16.123 0.101 2.446 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -12.889 4.094 0.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -15.741 0.191 -0.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -13.160 3.408 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -14.571 1.483 -2.087 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.510 2.455 6.482 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.119 1.402 7.279 1.00 0.00 C ATOM 1794 C GLU A 113 -16.017 1.992 8.366 1.00 0.00 C ATOM 1795 O GLU A 113 -17.162 1.582 8.541 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.031 0.535 7.917 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.801 -0.783 7.195 1.00 0.00 C ATOM 1798 CD GLU A 113 -14.092 -1.988 8.069 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -15.258 -2.150 8.486 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -13.154 -2.769 8.334 1.00 0.00 O ATOM 0 H GLU A 113 -13.499 2.532 6.589 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.733 0.786 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.097 1.096 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -14.302 0.330 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.433 -0.822 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.767 -0.829 6.852 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.463 2.941 9.110 1.00 0.00 N ATOM 1808 CA ALA A 114 -16.176 3.584 10.209 1.00 0.00 C ATOM 1809 C ALA A 114 -17.357 4.429 9.756 1.00 0.00 C ATOM 1810 O ALA A 114 -18.454 4.314 10.303 1.00 0.00 O ATOM 1811 CB ALA A 114 -15.219 4.467 10.972 1.00 0.00 C ATOM 0 H ALA A 114 -14.513 3.286 8.971 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.572 2.783 10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.747 4.950 11.794 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.404 3.862 11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.814 5.227 10.304 1.00 0.00 H new ATOM 1817 N SER A 115 -17.128 5.308 8.786 1.00 0.00 N ATOM 1818 CA SER A 115 -18.190 6.193 8.314 1.00 0.00 C ATOM 1819 C SER A 115 -19.451 5.426 7.988 1.00 0.00 C ATOM 1820 O SER A 115 -20.528 5.700 8.517 1.00 0.00 O ATOM 1821 CB SER A 115 -17.734 7.000 7.096 1.00 0.00 C ATOM 1822 OG SER A 115 -18.714 7.954 6.721 1.00 0.00 O ATOM 0 H SER A 115 -16.231 5.427 8.316 1.00 0.00 H new ATOM 0 HA SER A 115 -18.415 6.884 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.796 7.507 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.539 6.326 6.261 1.00 0.00 H new ATOM 0 HG SER A 115 -18.399 8.458 5.942 1.00 0.00 H new ATOM 1828 N GLY A 116 -19.293 4.465 7.123 1.00 0.00 N ATOM 1829 CA GLY A 116 -20.403 3.629 6.711 1.00 0.00 C ATOM 1830 C GLY A 116 -19.919 2.380 6.019 1.00 0.00 C ATOM 1831 O GLY A 116 -20.667 1.725 5.294 1.00 0.00 O ATOM 0 H GLY A 116 -18.403 4.234 6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.999 3.357 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -21.055 4.190 6.041 1.00 0.00 H new ATOM 1835 N LYS A 117 -18.645 2.068 6.247 1.00 0.00 N ATOM 1836 CA LYS A 117 -17.999 0.897 5.647 1.00 0.00 C ATOM 1837 C LYS A 117 -18.555 0.563 4.253 1.00 0.00 C ATOM 1838 O LYS A 117 -18.957 -0.571 3.998 1.00 0.00 O ATOM 1839 CB LYS A 117 -18.117 -0.316 6.586 1.00 0.00 C ATOM 1840 CG LYS A 117 -19.355 -1.170 6.359 1.00 0.00 C ATOM 1841 CD LYS A 117 -20.070 -1.487 7.663 1.00 0.00 C ATOM 1842 CE LYS A 117 -21.292 -2.361 7.430 1.00 0.00 C ATOM 1843 NZ LYS A 117 -22.415 -1.596 6.821 1.00 0.00 N ATOM 0 H LYS A 117 -18.031 2.616 6.850 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.946 1.145 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -17.232 -0.941 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -18.119 0.037 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -20.038 -0.649 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -19.070 -2.099 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -19.384 -1.993 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.372 -0.559 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -21.024 -3.193 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.617 -2.790 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.229 -2.228 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -22.688 -0.817 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -22.114 -1.208 5.905 1.00 0.00 H new ATOM 1857 N PRO A 118 -18.573 1.527 3.314 1.00 0.00 N ATOM 1858 CA PRO A 118 -19.071 1.276 1.956 1.00 0.00 C ATOM 1859 C PRO A 118 -18.169 0.307 1.195 1.00 0.00 C ATOM 1860 O PRO A 118 -17.780 0.570 0.059 1.00 0.00 O ATOM 1861 CB PRO A 118 -19.050 2.661 1.289 1.00 0.00 C ATOM 1862 CG PRO A 118 -18.864 3.639 2.402 1.00 0.00 C ATOM 1863 CD PRO A 118 -18.105 2.912 3.473 1.00 0.00 C ATOM 0 HA PRO A 118 -20.060 0.818 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.240 2.734 0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.979 2.851 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.314 4.516 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.825 3.991 2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.027 2.994 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.328 3.304 4.465 1.00 0.00 H new ATOM 1871 N VAL A 119 -17.835 -0.812 1.838 1.00 0.00 N ATOM 1872 CA VAL A 119 -16.969 -1.819 1.241 1.00 0.00 C ATOM 1873 C VAL A 119 -17.794 -2.870 0.510 1.00 0.00 C ATOM 1874 O VAL A 119 -18.849 -3.291 0.983 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.038 -2.491 2.298 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.625 -2.415 3.701 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -15.726 -3.936 1.926 1.00 0.00 C ATOM 0 H VAL A 119 -18.156 -1.041 2.779 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.329 -1.310 0.521 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.104 -1.929 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.946 -2.894 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.762 -1.371 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.588 -2.926 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.076 -4.374 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.654 -4.506 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.225 -3.963 0.958 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.300 -3.270 -0.657 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.969 -4.259 -1.499 1.00 0.00 C ATOM 1889 C CYS A 120 -19.499 -4.143 -1.441 1.00 0.00 C ATOM 1890 O CYS A 120 -20.083 -3.336 -2.164 1.00 0.00 O ATOM 1891 CB CYS A 120 -17.524 -5.674 -1.137 1.00 0.00 C ATOM 1892 SG CYS A 120 -18.039 -6.910 -2.351 1.00 0.00 S ATOM 0 H CYS A 120 -16.425 -2.919 -1.047 1.00 0.00 H new ATOM 0 HA CYS A 120 -17.671 -4.049 -2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -16.438 -5.695 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -17.932 -5.939 -0.162 1.00 0.00 H new ATOM 0 HG CYS A 120 -17.165 -6.965 -3.312 1.00 0.00 H new ATOM 1897 N ARG A 121 -20.149 -4.959 -0.597 1.00 0.00 N ATOM 1898 CA ARG A 121 -21.608 -4.942 -0.484 1.00 0.00 C ATOM 1899 C ARG A 121 -22.240 -4.861 -1.868 1.00 0.00 C ATOM 1900 O ARG A 121 -23.250 -4.185 -2.072 1.00 0.00 O ATOM 1901 CB ARG A 121 -22.067 -3.766 0.381 1.00 0.00 C ATOM 1902 CG ARG A 121 -21.804 -2.404 -0.242 1.00 0.00 C ATOM 1903 CD ARG A 121 -22.446 -1.284 0.562 1.00 0.00 C ATOM 1904 NE ARG A 121 -23.897 -1.439 0.663 1.00 0.00 N ATOM 1905 CZ ARG A 121 -24.505 -2.147 1.613 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -23.795 -2.786 2.536 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -25.828 -2.220 1.637 1.00 0.00 N ATOM 0 H ARG A 121 -19.687 -5.634 0.012 1.00 0.00 H new ATOM 0 HA ARG A 121 -21.930 -5.866 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -23.135 -3.866 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.561 -3.818 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.729 -2.235 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.191 -2.389 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.014 -1.263 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.216 -0.326 0.096 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.478 -0.977 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.776 -2.737 2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.268 -3.326 3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.378 -1.734 0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.296 -2.762 2.364 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.608 -5.538 -2.821 1.00 0.00 N ATOM 1922 CA CYS A 122 -22.064 -5.537 -4.203 1.00 0.00 C ATOM 1923 C CYS A 122 -22.778 -6.831 -4.579 1.00 0.00 C ATOM 1924 O CYS A 122 -23.433 -7.472 -3.756 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.864 -5.332 -5.135 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.749 -6.762 -5.233 1.00 0.00 S ATOM 0 H CYS A 122 -20.772 -6.098 -2.657 1.00 0.00 H new ATOM 0 HA CYS A 122 -22.779 -4.722 -4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -21.230 -5.101 -6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.297 -4.465 -4.795 1.00 0.00 H new ATOM 0 HG CYS A 122 -19.095 -6.880 -4.116 1.00 0.00 H new ATOM 1931 N ALA A 123 -22.624 -7.191 -5.844 1.00 0.00 N ATOM 1932 CA ALA A 123 -23.213 -8.392 -6.411 1.00 0.00 C ATOM 1933 C ALA A 123 -22.718 -8.569 -7.842 1.00 0.00 C ATOM 1934 O ALA A 123 -22.576 -9.687 -8.335 1.00 0.00 O ATOM 1935 CB ALA A 123 -24.732 -8.315 -6.371 1.00 0.00 C ATOM 0 H ALA A 123 -22.079 -6.649 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 123 -22.909 -9.255 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -25.154 -9.224 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -25.064 -8.214 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -25.068 -7.452 -6.946 1.00 0.00 H new ATOM 1941 N GLU A 124 -22.452 -7.438 -8.497 1.00 0.00 N ATOM 1942 CA GLU A 124 -21.967 -7.425 -9.864 1.00 0.00 C ATOM 1943 C GLU A 124 -20.453 -7.247 -9.913 1.00 0.00 C ATOM 1944 O GLU A 124 -19.831 -6.823 -8.939 1.00 0.00 O ATOM 1945 CB GLU A 124 -22.656 -6.314 -10.657 1.00 0.00 C ATOM 1946 CG GLU A 124 -23.773 -5.603 -9.905 1.00 0.00 C ATOM 1947 CD GLU A 124 -24.722 -4.866 -10.831 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -24.269 -4.408 -11.902 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -25.916 -4.748 -10.486 1.00 0.00 O ATOM 0 H GLU A 124 -22.569 -6.510 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 124 -22.207 -8.388 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -21.908 -5.578 -10.953 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -23.065 -6.739 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -24.334 -6.332 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -23.338 -4.896 -9.199 1.00 0.00 H new ATOM 1956 N VAL A 125 -19.868 -7.585 -11.058 1.00 0.00 N ATOM 1957 CA VAL A 125 -18.426 -7.479 -11.249 1.00 0.00 C ATOM 1958 C VAL A 125 -17.922 -6.031 -11.184 1.00 0.00 C ATOM 1959 O VAL A 125 -16.853 -5.783 -10.626 1.00 0.00 O ATOM 1960 CB VAL A 125 -17.975 -8.117 -12.581 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -18.188 -9.623 -12.549 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -18.703 -7.496 -13.762 1.00 0.00 C ATOM 0 H VAL A 125 -20.374 -7.936 -11.871 1.00 0.00 H new ATOM 0 HA VAL A 125 -17.983 -8.030 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.910 -7.920 -12.706 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -17.865 -10.056 -13.496 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -17.607 -10.055 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -19.245 -9.838 -12.394 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -18.365 -7.965 -14.686 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -19.776 -7.649 -13.649 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -18.491 -6.427 -13.799 1.00 0.00 H new ATOM 1972 N PRO A 126 -18.659 -5.043 -11.746 1.00 0.00 N ATOM 1973 CA PRO A 126 -18.234 -3.642 -11.726 1.00 0.00 C ATOM 1974 C PRO A 126 -17.684 -3.211 -10.370 1.00 0.00 C ATOM 1975 O PRO A 126 -16.840 -2.318 -10.293 1.00 0.00 O ATOM 1976 CB PRO A 126 -19.511 -2.855 -12.067 1.00 0.00 C ATOM 1977 CG PRO A 126 -20.606 -3.867 -12.161 1.00 0.00 C ATOM 1978 CD PRO A 126 -19.940 -5.183 -12.448 1.00 0.00 C ATOM 0 HA PRO A 126 -17.418 -3.467 -12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.730 -2.114 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -19.397 -2.315 -13.007 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.174 -3.913 -11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.309 -3.607 -12.952 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -20.521 -6.024 -12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.803 -5.345 -13.517 1.00 0.00 H new ATOM 1986 N CYS A 127 -18.155 -3.849 -9.300 1.00 0.00 N ATOM 1987 CA CYS A 127 -17.679 -3.508 -7.961 1.00 0.00 C ATOM 1988 C CYS A 127 -16.185 -3.787 -7.838 1.00 0.00 C ATOM 1989 O CYS A 127 -15.654 -4.663 -8.515 1.00 0.00 O ATOM 1990 CB CYS A 127 -18.444 -4.303 -6.891 1.00 0.00 C ATOM 1991 SG CYS A 127 -17.696 -4.261 -5.233 1.00 0.00 S ATOM 0 H CYS A 127 -18.853 -4.592 -9.331 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.857 -2.444 -7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -19.460 -3.914 -6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -18.520 -5.341 -7.214 1.00 0.00 H new ATOM 0 HG CYS A 127 -18.243 -5.174 -4.487 1.00 0.00 H new ATOM 1996 N LYS A 128 -15.527 -3.049 -6.943 1.00 0.00 N ATOM 1997 CA LYS A 128 -14.095 -3.217 -6.677 1.00 0.00 C ATOM 1998 C LYS A 128 -13.201 -2.529 -7.702 1.00 0.00 C ATOM 1999 O LYS A 128 -13.175 -2.911 -8.871 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.722 -4.720 -6.591 1.00 0.00 C ATOM 2001 CG LYS A 128 -12.551 -5.162 -7.473 1.00 0.00 C ATOM 2002 CD LYS A 128 -13.019 -5.640 -8.839 1.00 0.00 C ATOM 2003 CE LYS A 128 -11.855 -5.785 -9.805 1.00 0.00 C ATOM 2004 NZ LYS A 128 -12.239 -5.414 -11.194 1.00 0.00 N ATOM 0 H LYS A 128 -15.969 -2.320 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.915 -2.733 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.483 -4.958 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -14.599 -5.310 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -11.856 -4.331 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -12.004 -5.963 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -13.529 -6.598 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -13.744 -4.934 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -11.029 -5.155 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -11.496 -6.814 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -11.418 -5.526 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -13.010 -6.032 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -12.557 -4.424 -11.214 1.00 0.00 H new ATOM 2018 N GLY A 129 -12.393 -1.579 -7.235 1.00 0.00 N ATOM 2019 CA GLY A 129 -11.431 -0.958 -8.114 1.00 0.00 C ATOM 2020 C GLY A 129 -10.426 -2.015 -8.495 1.00 0.00 C ATOM 2021 O GLY A 129 -10.149 -2.255 -9.670 1.00 0.00 O ATOM 0 H GLY A 129 -12.391 -1.235 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -11.923 -0.558 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.940 -0.122 -7.617 1.00 0.00 H new