USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 146:sc= -2.54! (180deg=-5.04!) USER MOD Set 2.1: A 87 MET CE :methyl -171:sc= 0 (180deg=-0.105) USER MOD Set 2.2: A 123 MET CE :methyl -126:sc= -4.72! (180deg=-13.1!) USER MOD Set 2.3: A 125 ASN : amide:sc= -6.26! C(o=-11!,f=-22!) USER MOD Single : A 79 SER OG : rot -62:sc= 1.16 USER MOD Single : A 81 HIS : no HD1:sc= -7.06! C(o=-7.1!,f=-8.4!) USER MOD Single : A 85 SER OG : rot -106:sc= -2.13! USER MOD Single : A 90 THR OG1 : rot -34:sc= 0.132 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 52:sc= 0.00438 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 108 LYS NZ :NH3+ -172:sc= -0.66 (180deg=-0.685) USER MOD Single : A 110 ASN : amide:sc= 0.0209 K(o=0.021,f=-7.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 116 CYS SG : rot -19:sc= -4.01! USER MOD Single : A 121 MET CE :methyl 172:sc= 0 (180deg=-0.116) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 131 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.234) USER MOD Single : A 132 SER OG : rot 180:sc= -0.58 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.1) USER MOD Single : A 142 SER OG : rot -160:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 17.748 16.418 -3.281 1.00 0.00 N ATOM 2 CA GLU A 77 16.573 15.912 -3.981 1.00 0.00 C ATOM 3 C GLU A 77 16.184 14.531 -3.462 1.00 0.00 C ATOM 4 O GLU A 77 16.701 13.515 -3.926 1.00 0.00 O ATOM 5 CB GLU A 77 16.838 15.848 -5.486 1.00 0.00 C ATOM 6 CG GLU A 77 15.597 16.080 -6.333 1.00 0.00 C ATOM 7 CD GLU A 77 14.759 14.826 -6.494 1.00 0.00 C ATOM 8 OE1 GLU A 77 15.090 13.998 -7.368 1.00 0.00 O ATOM 9 OE2 GLU A 77 13.771 14.673 -5.746 1.00 0.00 O ATOM 0 HA GLU A 77 15.746 16.597 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.590 16.593 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.258 14.873 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.990 16.862 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.895 16.442 -7.317 1.00 0.00 H new ATOM 16 N ILE A 78 15.269 14.503 -2.498 1.00 0.00 N ATOM 17 CA ILE A 78 14.810 13.248 -1.917 1.00 0.00 C ATOM 18 C ILE A 78 14.212 12.335 -2.983 1.00 0.00 C ATOM 19 O ILE A 78 13.301 12.729 -3.710 1.00 0.00 O ATOM 20 CB ILE A 78 13.762 13.488 -0.815 1.00 0.00 C ATOM 21 CG1 ILE A 78 13.123 12.165 -0.390 1.00 0.00 C ATOM 22 CG2 ILE A 78 12.699 14.466 -1.298 1.00 0.00 C ATOM 23 CD1 ILE A 78 11.959 12.335 0.562 1.00 0.00 C ATOM 0 H ILE A 78 14.831 15.336 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 78 15.683 12.766 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 78 14.261 13.923 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.781 11.634 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.881 11.540 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.965 14.625 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.168 15.416 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.202 14.058 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.555 11.356 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.300 12.838 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.183 12.933 0.085 1.00 0.00 H new ATOM 35 N SER A 79 14.731 11.115 -3.068 1.00 0.00 N ATOM 36 CA SER A 79 14.248 10.147 -4.046 1.00 0.00 C ATOM 37 C SER A 79 13.141 9.281 -3.453 1.00 0.00 C ATOM 38 O SER A 79 13.219 8.053 -3.478 1.00 0.00 O ATOM 39 CB SER A 79 15.399 9.261 -4.529 1.00 0.00 C ATOM 40 OG SER A 79 14.913 8.138 -5.244 1.00 0.00 O ATOM 0 H SER A 79 15.485 10.773 -2.472 1.00 0.00 H new ATOM 0 HA SER A 79 13.840 10.697 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.066 9.841 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.987 8.925 -3.675 1.00 0.00 H new ATOM 0 HG SER A 79 14.355 7.590 -4.653 1.00 0.00 H new ATOM 46 N GLY A 80 12.111 9.929 -2.920 1.00 0.00 N ATOM 47 CA GLY A 80 11.003 9.202 -2.328 1.00 0.00 C ATOM 48 C GLY A 80 9.904 8.904 -3.329 1.00 0.00 C ATOM 49 O GLY A 80 9.980 9.318 -4.486 1.00 0.00 O ATOM 0 H GLY A 80 12.023 10.945 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.370 8.266 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.591 9.783 -1.503 1.00 0.00 H new ATOM 53 N HIS A 81 8.881 8.182 -2.884 1.00 0.00 N ATOM 54 CA HIS A 81 7.761 7.827 -3.749 1.00 0.00 C ATOM 55 C HIS A 81 6.462 7.758 -2.954 1.00 0.00 C ATOM 56 O HIS A 81 6.282 6.875 -2.116 1.00 0.00 O ATOM 57 CB HIS A 81 8.023 6.485 -4.436 1.00 0.00 C ATOM 58 CG HIS A 81 9.401 6.364 -5.008 1.00 0.00 C ATOM 59 ND1 HIS A 81 10.547 6.482 -4.249 1.00 0.00 N ATOM 60 CD2 HIS A 81 9.815 6.130 -6.276 1.00 0.00 C ATOM 61 CE1 HIS A 81 11.604 6.327 -5.025 1.00 0.00 C ATOM 62 NE2 HIS A 81 11.188 6.112 -6.260 1.00 0.00 N ATOM 0 H HIS A 81 8.804 7.831 -1.929 1.00 0.00 H new ATOM 0 HA HIS A 81 7.662 8.602 -4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.865 5.681 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.294 6.346 -5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.183 5.985 -7.139 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.634 6.369 -4.704 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.789 5.958 -7.070 1.00 0.00 H new ATOM 71 N ILE A 82 5.558 8.694 -3.224 1.00 0.00 N ATOM 72 CA ILE A 82 4.275 8.736 -2.533 1.00 0.00 C ATOM 73 C ILE A 82 3.214 7.954 -3.300 1.00 0.00 C ATOM 74 O ILE A 82 2.463 8.522 -4.093 1.00 0.00 O ATOM 75 CB ILE A 82 3.785 10.185 -2.336 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.952 11.115 -1.995 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.722 10.241 -1.249 1.00 0.00 C ATOM 78 CD1 ILE A 82 6.078 10.426 -1.265 1.00 0.00 C ATOM 0 H ILE A 82 5.690 9.432 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 82 4.429 8.278 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 82 3.344 10.526 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.340 11.551 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.583 11.938 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.386 11.270 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.876 9.616 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.141 9.877 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.870 11.145 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.705 10.014 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.474 9.620 -1.884 1.00 0.00 H new ATOM 90 N VAL A 83 3.160 6.649 -3.060 1.00 0.00 N ATOM 91 CA VAL A 83 2.191 5.789 -3.729 1.00 0.00 C ATOM 92 C VAL A 83 0.776 6.065 -3.231 1.00 0.00 C ATOM 93 O VAL A 83 0.283 5.392 -2.326 1.00 0.00 O ATOM 94 CB VAL A 83 2.519 4.300 -3.512 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.596 3.422 -4.342 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.977 4.021 -3.846 1.00 0.00 C ATOM 0 H VAL A 83 3.775 6.163 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 83 2.249 6.014 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 83 2.359 4.061 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.844 2.374 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.562 3.602 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.720 3.660 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.191 2.964 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.167 4.277 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.619 4.622 -3.202 1.00 0.00 H new ATOM 106 N ARG A 84 0.128 7.060 -3.830 1.00 0.00 N ATOM 107 CA ARG A 84 -1.231 7.427 -3.447 1.00 0.00 C ATOM 108 C ARG A 84 -2.244 6.443 -4.024 1.00 0.00 C ATOM 109 O ARG A 84 -2.020 5.852 -5.080 1.00 0.00 O ATOM 110 CB ARG A 84 -1.553 8.844 -3.923 1.00 0.00 C ATOM 111 CG ARG A 84 -1.206 9.089 -5.382 1.00 0.00 C ATOM 112 CD ARG A 84 -0.021 10.032 -5.520 1.00 0.00 C ATOM 113 NE ARG A 84 0.056 10.622 -6.853 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.740 11.601 -7.272 1.00 0.00 C ATOM 115 NH1 ARG A 84 -1.669 12.095 -6.464 1.00 0.00 N ATOM 116 NH2 ARG A 84 -0.607 12.087 -8.499 1.00 0.00 N ATOM 0 H ARG A 84 0.522 7.626 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.296 7.393 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.616 9.036 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.010 9.558 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.976 8.140 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.070 9.510 -5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.100 10.825 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.901 9.489 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 84 0.759 10.263 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.773 11.724 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.279 12.846 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.107 11.710 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.218 12.838 -8.819 1.00 0.00 H new ATOM 130 N SER A 85 -3.360 6.274 -3.322 1.00 0.00 N ATOM 131 CA SER A 85 -4.409 5.363 -3.762 1.00 0.00 C ATOM 132 C SER A 85 -5.004 5.819 -5.090 1.00 0.00 C ATOM 133 O SER A 85 -5.439 6.963 -5.229 1.00 0.00 O ATOM 134 CB SER A 85 -5.509 5.270 -2.703 1.00 0.00 C ATOM 135 OG SER A 85 -6.147 4.005 -2.740 1.00 0.00 O ATOM 0 H SER A 85 -3.561 6.756 -2.446 1.00 0.00 H new ATOM 0 HA SER A 85 -3.965 4.378 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.081 5.436 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.245 6.057 -2.868 1.00 0.00 H new ATOM 0 HG SER A 85 -7.039 4.100 -3.135 1.00 0.00 H new ATOM 141 N PRO A 86 -5.029 4.923 -6.088 1.00 0.00 N ATOM 142 CA PRO A 86 -5.570 5.229 -7.414 1.00 0.00 C ATOM 143 C PRO A 86 -7.093 5.302 -7.418 1.00 0.00 C ATOM 144 O PRO A 86 -7.689 5.996 -8.240 1.00 0.00 O ATOM 145 CB PRO A 86 -5.089 4.054 -8.266 1.00 0.00 C ATOM 146 CG PRO A 86 -4.950 2.925 -7.304 1.00 0.00 C ATOM 147 CD PRO A 86 -4.527 3.541 -5.997 1.00 0.00 C ATOM 0 HA PRO A 86 -5.240 6.203 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.803 3.817 -9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.140 4.279 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.892 2.388 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.210 2.204 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.958 3.013 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.444 3.515 -5.873 1.00 0.00 H new ATOM 155 N MET A 87 -7.719 4.581 -6.493 1.00 0.00 N ATOM 156 CA MET A 87 -9.174 4.565 -6.390 1.00 0.00 C ATOM 157 C MET A 87 -9.620 4.443 -4.937 1.00 0.00 C ATOM 158 O MET A 87 -8.802 4.506 -4.018 1.00 0.00 O ATOM 159 CB MET A 87 -9.751 3.411 -7.211 1.00 0.00 C ATOM 160 CG MET A 87 -9.304 2.040 -6.728 1.00 0.00 C ATOM 161 SD MET A 87 -9.025 0.884 -8.083 1.00 0.00 S ATOM 162 CE MET A 87 -10.642 0.870 -8.854 1.00 0.00 C ATOM 0 H MET A 87 -7.241 4.000 -5.804 1.00 0.00 H new ATOM 0 HA MET A 87 -9.549 5.509 -6.786 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.839 3.462 -7.179 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.456 3.534 -8.253 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.386 2.144 -6.150 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.059 1.631 -6.057 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.679 0.084 -9.608 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.404 0.683 -8.098 1.00 0.00 H new ATOM 0 HE3 MET A 87 -10.828 1.835 -9.326 1.00 0.00 H new ATOM 172 N VAL A 88 -10.921 4.266 -4.735 1.00 0.00 N ATOM 173 CA VAL A 88 -11.479 4.136 -3.394 1.00 0.00 C ATOM 174 C VAL A 88 -11.747 2.673 -3.053 1.00 0.00 C ATOM 175 O VAL A 88 -12.108 1.879 -3.921 1.00 0.00 O ATOM 176 CB VAL A 88 -12.788 4.936 -3.251 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.508 4.568 -1.962 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.506 6.430 -3.304 1.00 0.00 C ATOM 0 H VAL A 88 -11.610 4.209 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.741 4.539 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.440 4.680 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.429 5.145 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.746 3.504 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.866 4.791 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.441 6.981 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.834 6.702 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.041 6.679 -4.258 1.00 0.00 H new ATOM 188 N GLY A 89 -11.569 2.326 -1.783 1.00 0.00 N ATOM 189 CA GLY A 89 -11.798 0.961 -1.347 1.00 0.00 C ATOM 190 C GLY A 89 -11.495 0.763 0.124 1.00 0.00 C ATOM 191 O GLY A 89 -12.214 1.266 0.986 1.00 0.00 O ATOM 0 H GLY A 89 -11.270 2.966 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.836 0.691 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.178 0.286 -1.936 1.00 0.00 H new ATOM 195 N THR A 90 -10.425 0.029 0.412 1.00 0.00 N ATOM 196 CA THR A 90 -10.027 -0.233 1.789 1.00 0.00 C ATOM 197 C THR A 90 -8.594 -0.753 1.852 1.00 0.00 C ATOM 198 O THR A 90 -8.263 -1.765 1.234 1.00 0.00 O ATOM 199 CB THR A 90 -10.976 -1.244 2.434 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.326 -0.862 2.234 1.00 0.00 O ATOM 201 CG2 THR A 90 -10.759 -1.401 3.924 1.00 0.00 C ATOM 0 H THR A 90 -9.819 -0.395 -0.290 1.00 0.00 H new ATOM 0 HA THR A 90 -10.079 0.706 2.340 1.00 0.00 H new ATOM 0 HB THR A 90 -10.759 -2.196 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.395 0.115 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.464 -2.132 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.740 -1.742 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.916 -0.442 4.418 1.00 0.00 H new ATOM 209 N PHE A 91 -7.749 -0.055 2.602 1.00 0.00 N ATOM 210 CA PHE A 91 -6.351 -0.446 2.746 1.00 0.00 C ATOM 211 C PHE A 91 -6.195 -1.504 3.835 1.00 0.00 C ATOM 212 O PHE A 91 -7.152 -1.829 4.539 1.00 0.00 O ATOM 213 CB PHE A 91 -5.491 0.775 3.072 1.00 0.00 C ATOM 214 CG PHE A 91 -4.017 0.533 2.909 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.502 0.090 1.695 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.144 0.749 3.969 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.142 -0.133 1.542 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.783 0.527 3.821 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.282 0.086 2.607 1.00 0.00 C ATOM 0 H PHE A 91 -8.007 0.785 3.120 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.016 -0.873 1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.789 1.601 2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.689 1.085 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.169 -0.082 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.529 1.093 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.753 -0.477 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.114 0.698 4.652 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.222 -0.087 2.490 1.00 0.00 H new ATOM 229 N TYR A 92 -4.986 -2.041 3.968 1.00 0.00 N ATOM 230 CA TYR A 92 -4.713 -3.064 4.972 1.00 0.00 C ATOM 231 C TYR A 92 -3.216 -3.323 5.096 1.00 0.00 C ATOM 232 O TYR A 92 -2.410 -2.716 4.390 1.00 0.00 O ATOM 233 CB TYR A 92 -5.435 -4.361 4.614 1.00 0.00 C ATOM 234 CG TYR A 92 -6.801 -4.490 5.249 1.00 0.00 C ATOM 235 CD1 TYR A 92 -6.940 -4.644 6.627 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.956 -4.461 4.470 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.191 -4.764 7.212 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.211 -4.580 5.046 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.322 -4.731 6.417 1.00 0.00 C ATOM 240 OH TYR A 92 -10.566 -4.851 6.992 1.00 0.00 O ATOM 0 H TYR A 92 -4.182 -1.786 3.395 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.081 -2.701 5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.540 -4.421 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.819 -5.206 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.058 -4.670 7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.872 -4.344 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.282 -4.882 8.282 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.097 -4.555 4.429 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.254 -4.807 6.295 1.00 0.00 H new ATOM 250 N ARG A 93 -2.848 -4.227 5.999 1.00 0.00 N ATOM 251 CA ARG A 93 -1.446 -4.566 6.215 1.00 0.00 C ATOM 252 C ARG A 93 -1.299 -5.995 6.722 1.00 0.00 C ATOM 253 O ARG A 93 -0.258 -6.363 7.266 1.00 0.00 O ATOM 254 CB ARG A 93 -0.814 -3.603 7.219 1.00 0.00 C ATOM 255 CG ARG A 93 -1.477 -2.236 7.255 1.00 0.00 C ATOM 256 CD ARG A 93 -0.561 -1.186 7.866 1.00 0.00 C ATOM 257 NE ARG A 93 -0.718 -1.098 9.315 1.00 0.00 N ATOM 258 CZ ARG A 93 -0.044 -0.243 10.077 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.826 0.593 9.529 1.00 0.00 N ATOM 260 NH2 ARG A 93 -0.242 -0.223 11.389 1.00 0.00 N ATOM 0 H ARG A 93 -3.501 -4.738 6.593 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.933 -4.480 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.862 -4.046 8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.241 -3.479 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.751 -1.937 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.401 -2.294 7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.475 -1.426 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.774 -0.215 7.419 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.381 -1.727 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.979 0.581 8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.342 1.249 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.912 -0.864 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.276 0.434 11.973 1.00 0.00 H new ATOM 274 N THR A 94 -2.342 -6.798 6.549 1.00 0.00 N ATOM 275 CA THR A 94 -2.312 -8.182 7.004 1.00 0.00 C ATOM 276 C THR A 94 -3.389 -9.018 6.323 1.00 0.00 C ATOM 277 O THR A 94 -4.561 -8.967 6.698 1.00 0.00 O ATOM 278 CB THR A 94 -2.492 -8.238 8.521 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.443 -7.279 8.948 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.209 -7.984 9.282 1.00 0.00 C ATOM 0 H THR A 94 -3.214 -6.517 6.100 1.00 0.00 H new ATOM 0 HA THR A 94 -1.342 -8.601 6.736 1.00 0.00 H new ATOM 0 HB THR A 94 -2.830 -9.251 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.267 -7.381 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.405 -8.038 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.469 -8.737 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.828 -6.994 9.032 1.00 0.00 H new ATOM 288 N PRO A 95 -2.999 -9.809 5.313 1.00 0.00 N ATOM 289 CA PRO A 95 -3.927 -10.671 4.579 1.00 0.00 C ATOM 290 C PRO A 95 -4.337 -11.890 5.398 1.00 0.00 C ATOM 291 O PRO A 95 -3.502 -12.730 5.732 1.00 0.00 O ATOM 292 CB PRO A 95 -3.118 -11.093 3.353 1.00 0.00 C ATOM 293 CG PRO A 95 -1.699 -11.044 3.803 1.00 0.00 C ATOM 294 CD PRO A 95 -1.616 -9.931 4.815 1.00 0.00 C ATOM 0 HA PRO A 95 -4.860 -10.163 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.394 -12.094 3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.291 -10.420 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.398 -11.994 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.031 -10.856 2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.920 -10.172 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.270 -9.002 4.362 1.00 0.00 H new ATOM 302 N SER A 96 -5.625 -11.969 5.724 1.00 0.00 N ATOM 303 CA SER A 96 -6.162 -13.076 6.513 1.00 0.00 C ATOM 304 C SER A 96 -5.363 -14.357 6.297 1.00 0.00 C ATOM 305 O SER A 96 -4.785 -14.904 7.236 1.00 0.00 O ATOM 306 CB SER A 96 -7.632 -13.315 6.160 1.00 0.00 C ATOM 307 OG SER A 96 -8.020 -14.643 6.467 1.00 0.00 O ATOM 0 H SER A 96 -6.321 -11.275 5.452 1.00 0.00 H new ATOM 0 HA SER A 96 -6.082 -12.801 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.260 -12.613 6.709 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.791 -13.122 5.099 1.00 0.00 H new ATOM 0 HG SER A 96 -8.963 -14.770 6.234 1.00 0.00 H new ATOM 313 N PRO A 97 -5.319 -14.849 5.050 1.00 0.00 N ATOM 314 CA PRO A 97 -4.589 -16.071 4.703 1.00 0.00 C ATOM 315 C PRO A 97 -3.118 -16.000 5.101 1.00 0.00 C ATOM 316 O PRO A 97 -2.241 -15.846 4.253 1.00 0.00 O ATOM 317 CB PRO A 97 -4.727 -16.165 3.176 1.00 0.00 C ATOM 318 CG PRO A 97 -5.188 -14.816 2.735 1.00 0.00 C ATOM 319 CD PRO A 97 -5.975 -14.253 3.881 1.00 0.00 C ATOM 0 HA PRO A 97 -4.987 -16.939 5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.776 -16.426 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.443 -16.937 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.341 -14.175 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.802 -14.888 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.932 -13.164 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.028 -14.530 3.823 1.00 0.00 H new ATOM 327 N ASP A 98 -2.859 -16.115 6.400 1.00 0.00 N ATOM 328 CA ASP A 98 -1.497 -16.068 6.916 1.00 0.00 C ATOM 329 C ASP A 98 -0.899 -14.673 6.760 1.00 0.00 C ATOM 330 O ASP A 98 0.200 -14.515 6.229 1.00 0.00 O ATOM 331 CB ASP A 98 -0.623 -17.093 6.193 1.00 0.00 C ATOM 332 CG ASP A 98 -1.195 -18.495 6.268 1.00 0.00 C ATOM 333 OD1 ASP A 98 -2.412 -18.653 6.036 1.00 0.00 O ATOM 334 OD2 ASP A 98 -0.426 -19.436 6.558 1.00 0.00 O ATOM 0 H ASP A 98 -3.576 -16.242 7.114 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.530 -16.310 7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.516 -16.803 5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.376 -17.087 6.629 1.00 0.00 H new ATOM 339 N ALA A 99 -1.627 -13.662 7.228 1.00 0.00 N ATOM 340 CA ALA A 99 -1.161 -12.285 7.139 1.00 0.00 C ATOM 341 C ALA A 99 0.225 -12.136 7.757 1.00 0.00 C ATOM 342 O ALA A 99 0.365 -12.022 8.974 1.00 0.00 O ATOM 343 CB ALA A 99 -2.147 -11.348 7.821 1.00 0.00 C ATOM 0 H ALA A 99 -2.539 -13.772 7.671 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.093 -12.018 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.785 -10.322 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.119 -11.426 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.244 -11.623 8.871 1.00 0.00 H new ATOM 349 N LYS A 100 1.249 -12.139 6.908 1.00 0.00 N ATOM 350 CA LYS A 100 2.626 -12.006 7.371 1.00 0.00 C ATOM 351 C LYS A 100 3.064 -10.545 7.362 1.00 0.00 C ATOM 352 O LYS A 100 4.203 -10.231 7.018 1.00 0.00 O ATOM 353 CB LYS A 100 3.562 -12.837 6.493 1.00 0.00 C ATOM 354 CG LYS A 100 4.147 -14.047 7.203 1.00 0.00 C ATOM 355 CD LYS A 100 4.756 -15.032 6.218 1.00 0.00 C ATOM 356 CE LYS A 100 4.328 -16.460 6.523 1.00 0.00 C ATOM 357 NZ LYS A 100 5.480 -17.305 6.945 1.00 0.00 N ATOM 0 H LYS A 100 1.151 -12.232 5.897 1.00 0.00 H new ATOM 0 HA LYS A 100 2.677 -12.375 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.017 -13.172 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.376 -12.203 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.909 -13.721 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.367 -14.544 7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.454 -14.769 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.843 -14.961 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.575 -16.453 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.862 -16.896 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.148 -18.270 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.188 -17.332 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.910 -16.903 7.803 1.00 0.00 H new ATOM 371 N ALA A 101 2.152 -9.658 7.745 1.00 0.00 N ATOM 372 CA ALA A 101 2.442 -8.231 7.783 1.00 0.00 C ATOM 373 C ALA A 101 2.896 -7.724 6.418 1.00 0.00 C ATOM 374 O ALA A 101 4.061 -7.867 6.046 1.00 0.00 O ATOM 375 CB ALA A 101 3.502 -7.938 8.835 1.00 0.00 C ATOM 0 H ALA A 101 1.205 -9.903 8.034 1.00 0.00 H new ATOM 0 HA ALA A 101 1.524 -7.706 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.710 -6.868 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.141 -8.255 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.415 -8.481 8.592 1.00 0.00 H new ATOM 381 N PHE A 102 1.968 -7.129 5.675 1.00 0.00 N ATOM 382 CA PHE A 102 2.273 -6.599 4.351 1.00 0.00 C ATOM 383 C PHE A 102 3.450 -5.630 4.413 1.00 0.00 C ATOM 384 O PHE A 102 4.162 -5.569 5.416 1.00 0.00 O ATOM 385 CB PHE A 102 1.047 -5.895 3.766 1.00 0.00 C ATOM 386 CG PHE A 102 0.369 -6.677 2.676 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.116 -7.292 1.677 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.016 -6.799 2.650 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.493 -8.014 0.671 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.644 -7.520 1.646 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.888 -8.129 0.657 1.00 0.00 C ATOM 0 H PHE A 102 0.999 -7.002 5.967 1.00 0.00 H new ATOM 0 HA PHE A 102 2.546 -7.434 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.331 -5.706 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.349 -4.925 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.193 -7.206 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.609 -6.327 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.083 -8.486 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.720 -7.607 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.375 -8.693 -0.125 1.00 0.00 H new ATOM 401 N ILE A 103 3.651 -4.876 3.337 1.00 0.00 N ATOM 402 CA ILE A 103 4.742 -3.911 3.274 1.00 0.00 C ATOM 403 C ILE A 103 4.488 -2.734 4.210 1.00 0.00 C ATOM 404 O ILE A 103 3.942 -1.710 3.802 1.00 0.00 O ATOM 405 CB ILE A 103 4.941 -3.378 1.844 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.820 -4.516 0.829 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.292 -2.692 1.717 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.535 -5.781 1.253 1.00 0.00 C ATOM 0 H ILE A 103 3.073 -4.915 2.498 1.00 0.00 H new ATOM 0 HA ILE A 103 5.645 -4.435 3.587 1.00 0.00 H new ATOM 0 HB ILE A 103 4.161 -2.645 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.765 -4.740 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.223 -4.183 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.417 -2.321 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.344 -1.858 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.085 -3.405 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.407 -6.545 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.597 -5.572 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.116 -6.137 2.194 1.00 0.00 H new ATOM 420 N GLU A 104 4.886 -2.889 5.469 1.00 0.00 N ATOM 421 CA GLU A 104 4.699 -1.840 6.464 1.00 0.00 C ATOM 422 C GLU A 104 5.947 -0.970 6.583 1.00 0.00 C ATOM 423 O GLU A 104 6.998 -1.295 6.030 1.00 0.00 O ATOM 424 CB GLU A 104 4.358 -2.451 7.823 1.00 0.00 C ATOM 425 CG GLU A 104 2.948 -2.136 8.294 1.00 0.00 C ATOM 426 CD GLU A 104 2.400 -3.187 9.240 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.211 -3.881 9.889 1.00 0.00 O ATOM 428 OE2 GLU A 104 1.161 -3.316 9.331 1.00 0.00 O ATOM 0 H GLU A 104 5.340 -3.731 5.824 1.00 0.00 H new ATOM 0 HA GLU A 104 3.871 -1.211 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.480 -3.533 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.070 -2.088 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.944 -1.167 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.290 -2.053 7.429 1.00 0.00 H new ATOM 435 N VAL A 105 5.822 0.137 7.308 1.00 0.00 N ATOM 436 CA VAL A 105 6.938 1.055 7.502 1.00 0.00 C ATOM 437 C VAL A 105 8.204 0.307 7.905 1.00 0.00 C ATOM 438 O VAL A 105 8.152 -0.652 8.677 1.00 0.00 O ATOM 439 CB VAL A 105 6.617 2.112 8.575 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.549 3.307 8.444 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.163 2.548 8.478 1.00 0.00 C ATOM 0 H VAL A 105 4.958 0.420 7.771 1.00 0.00 H new ATOM 0 HA VAL A 105 7.103 1.555 6.548 1.00 0.00 H new ATOM 0 HB VAL A 105 6.773 1.665 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.307 4.043 9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.581 2.979 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.428 3.756 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.955 3.295 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.977 2.977 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.514 1.685 8.627 1.00 0.00 H new ATOM 451 N GLY A 106 9.340 0.753 7.379 1.00 0.00 N ATOM 452 CA GLY A 106 10.604 0.115 7.695 1.00 0.00 C ATOM 453 C GLY A 106 10.924 -1.034 6.759 1.00 0.00 C ATOM 454 O GLY A 106 11.994 -1.068 6.151 1.00 0.00 O ATOM 0 H GLY A 106 9.408 1.545 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.403 0.854 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.575 -0.253 8.721 1.00 0.00 H new ATOM 458 N GLN A 107 9.994 -1.976 6.641 1.00 0.00 N ATOM 459 CA GLN A 107 10.182 -3.131 5.770 1.00 0.00 C ATOM 460 C GLN A 107 10.082 -2.721 4.305 1.00 0.00 C ATOM 461 O GLN A 107 9.650 -1.612 3.990 1.00 0.00 O ATOM 462 CB GLN A 107 9.143 -4.209 6.084 1.00 0.00 C ATOM 463 CG GLN A 107 9.146 -5.364 5.097 1.00 0.00 C ATOM 464 CD GLN A 107 8.153 -6.449 5.466 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.802 -6.613 6.635 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.695 -7.196 4.469 1.00 0.00 N ATOM 0 H GLN A 107 9.103 -1.962 7.137 1.00 0.00 H new ATOM 0 HA GLN A 107 11.177 -3.537 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.327 -4.598 7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.152 -3.754 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.913 -4.987 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.147 -5.793 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.013 -7.025 3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.025 -7.941 4.657 1.00 0.00 H new ATOM 475 N LYS A 108 10.482 -3.619 3.409 1.00 0.00 N ATOM 476 CA LYS A 108 10.432 -3.336 1.979 1.00 0.00 C ATOM 477 C LYS A 108 11.156 -4.411 1.177 1.00 0.00 C ATOM 478 O LYS A 108 11.367 -5.524 1.659 1.00 0.00 O ATOM 479 CB LYS A 108 11.054 -1.973 1.692 1.00 0.00 C ATOM 480 CG LYS A 108 10.106 -1.000 1.012 1.00 0.00 C ATOM 481 CD LYS A 108 9.265 -1.687 -0.052 1.00 0.00 C ATOM 482 CE LYS A 108 9.482 -1.065 -1.422 1.00 0.00 C ATOM 483 NZ LYS A 108 8.835 0.272 -1.533 1.00 0.00 N ATOM 0 H LYS A 108 10.842 -4.543 3.646 1.00 0.00 H new ATOM 0 HA LYS A 108 9.385 -3.329 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.398 -1.536 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.933 -2.110 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.452 -0.548 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.678 -0.191 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.517 -2.747 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 108 8.211 -1.619 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.551 -0.968 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.081 -1.727 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.888 0.603 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.838 0.200 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.326 0.948 -0.914 1.00 0.00 H new ATOM 497 N VAL A 109 11.530 -4.068 -0.053 1.00 0.00 N ATOM 498 CA VAL A 109 12.227 -5.002 -0.927 1.00 0.00 C ATOM 499 C VAL A 109 12.471 -4.377 -2.303 1.00 0.00 C ATOM 500 O VAL A 109 12.555 -3.156 -2.430 1.00 0.00 O ATOM 501 CB VAL A 109 11.428 -6.318 -1.070 1.00 0.00 C ATOM 502 CG1 VAL A 109 10.392 -6.212 -2.181 1.00 0.00 C ATOM 503 CG2 VAL A 109 12.365 -7.496 -1.304 1.00 0.00 C ATOM 0 H VAL A 109 11.361 -3.150 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 109 13.192 -5.231 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 109 10.894 -6.492 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.845 -7.152 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.696 -5.405 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.893 -6.004 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.781 -8.411 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 109 12.936 -7.331 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.049 -7.590 -0.460 1.00 0.00 H new ATOM 513 N ASN A 110 12.583 -5.217 -3.331 1.00 0.00 N ATOM 514 CA ASN A 110 12.816 -4.737 -4.688 1.00 0.00 C ATOM 515 C ASN A 110 11.550 -4.860 -5.532 1.00 0.00 C ATOM 516 O ASN A 110 10.586 -5.514 -5.133 1.00 0.00 O ATOM 517 CB ASN A 110 13.953 -5.525 -5.341 1.00 0.00 C ATOM 518 CG ASN A 110 13.616 -6.993 -5.509 1.00 0.00 C ATOM 519 OD1 ASN A 110 13.107 -7.634 -4.591 1.00 0.00 O ATOM 520 ND2 ASN A 110 13.898 -7.533 -6.689 1.00 0.00 N ATOM 0 H ASN A 110 12.516 -6.231 -3.248 1.00 0.00 H new ATOM 0 HA ASN A 110 13.096 -3.685 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.178 -5.093 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.853 -5.429 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.692 -8.517 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 110 14.320 -6.964 -7.423 1.00 0.00 H new ATOM 527 N VAL A 111 11.561 -4.227 -6.701 1.00 0.00 N ATOM 528 CA VAL A 111 10.414 -4.264 -7.602 1.00 0.00 C ATOM 529 C VAL A 111 10.029 -5.700 -7.943 1.00 0.00 C ATOM 530 O VAL A 111 10.886 -6.524 -8.263 1.00 0.00 O ATOM 531 CB VAL A 111 10.700 -3.500 -8.907 1.00 0.00 C ATOM 532 CG1 VAL A 111 9.423 -3.330 -9.717 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.332 -2.150 -8.607 1.00 0.00 C ATOM 0 H VAL A 111 12.351 -3.682 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 111 9.587 -3.782 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 111 11.405 -4.082 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.645 -2.788 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.015 -4.310 -9.963 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.693 -2.770 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.527 -1.624 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.653 -1.559 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.270 -2.298 -8.071 1.00 0.00 H new ATOM 543 N GLY A 112 8.736 -5.993 -7.872 1.00 0.00 N ATOM 544 CA GLY A 112 8.259 -7.329 -8.176 1.00 0.00 C ATOM 545 C GLY A 112 7.471 -7.937 -7.034 1.00 0.00 C ATOM 546 O GLY A 112 6.560 -8.735 -7.254 1.00 0.00 O ATOM 0 H GLY A 112 8.008 -5.328 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.632 -7.294 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.109 -7.971 -8.409 1.00 0.00 H new ATOM 550 N ASP A 113 7.823 -7.560 -5.808 1.00 0.00 N ATOM 551 CA ASP A 113 7.141 -8.074 -4.626 1.00 0.00 C ATOM 552 C ASP A 113 5.761 -7.443 -4.473 1.00 0.00 C ATOM 553 O ASP A 113 5.457 -6.429 -5.102 1.00 0.00 O ATOM 554 CB ASP A 113 7.977 -7.808 -3.376 1.00 0.00 C ATOM 555 CG ASP A 113 8.519 -9.083 -2.761 1.00 0.00 C ATOM 556 OD1 ASP A 113 9.032 -9.935 -3.515 1.00 0.00 O ATOM 557 OD2 ASP A 113 8.430 -9.229 -1.523 1.00 0.00 O ATOM 0 H ASP A 113 8.576 -6.901 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 113 7.015 -9.150 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.807 -7.149 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.368 -7.283 -2.640 1.00 0.00 H new ATOM 562 N THR A 114 4.929 -8.050 -3.634 1.00 0.00 N ATOM 563 CA THR A 114 3.579 -7.548 -3.397 1.00 0.00 C ATOM 564 C THR A 114 3.616 -6.217 -2.654 1.00 0.00 C ATOM 565 O THR A 114 4.687 -5.667 -2.397 1.00 0.00 O ATOM 566 CB THR A 114 2.766 -8.569 -2.601 1.00 0.00 C ATOM 567 OG1 THR A 114 3.442 -9.812 -2.541 1.00 0.00 O ATOM 568 CG2 THR A 114 1.391 -8.822 -3.180 1.00 0.00 C ATOM 0 H THR A 114 5.165 -8.890 -3.106 1.00 0.00 H new ATOM 0 HA THR A 114 3.102 -7.389 -4.364 1.00 0.00 H new ATOM 0 HB THR A 114 2.650 -8.134 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.906 -10.451 -2.026 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.868 -9.556 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.825 -7.891 -3.193 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.489 -9.202 -4.197 1.00 0.00 H new ATOM 576 N LEU A 115 2.439 -5.703 -2.311 1.00 0.00 N ATOM 577 CA LEU A 115 2.337 -4.435 -1.597 1.00 0.00 C ATOM 578 C LEU A 115 1.226 -4.482 -0.554 1.00 0.00 C ATOM 579 O LEU A 115 1.490 -4.526 0.648 1.00 0.00 O ATOM 580 CB LEU A 115 2.078 -3.294 -2.583 1.00 0.00 C ATOM 581 CG LEU A 115 2.182 -1.889 -1.987 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.477 -1.219 -2.420 1.00 0.00 C ATOM 583 CD2 LEU A 115 0.982 -1.048 -2.397 1.00 0.00 C ATOM 0 H LEU A 115 1.543 -6.145 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 115 3.282 -4.259 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.788 -3.377 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.082 -3.420 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 115 2.188 -1.975 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.533 -0.221 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.325 -1.811 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.502 -1.144 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.071 -0.051 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.946 -0.970 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.067 -1.519 -2.037 1.00 0.00 H new ATOM 595 N CYS A 116 -0.019 -4.472 -1.021 1.00 0.00 N ATOM 596 CA CYS A 116 -1.171 -4.512 -0.126 1.00 0.00 C ATOM 597 C CYS A 116 -2.473 -4.599 -0.916 1.00 0.00 C ATOM 598 O CYS A 116 -2.528 -4.217 -2.085 1.00 0.00 O ATOM 599 CB CYS A 116 -1.188 -3.274 0.773 1.00 0.00 C ATOM 600 SG CYS A 116 -0.657 -3.592 2.473 1.00 0.00 S ATOM 0 H CYS A 116 -0.256 -4.437 -2.012 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.085 -5.403 0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.541 -2.512 0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -2.198 -2.863 0.789 1.00 0.00 H new ATOM 0 HG CYS A 116 -0.740 -4.865 2.722 1.00 0.00 H new ATOM 606 N ILE A 117 -3.519 -5.106 -0.269 1.00 0.00 N ATOM 607 CA ILE A 117 -4.822 -5.246 -0.909 1.00 0.00 C ATOM 608 C ILE A 117 -5.698 -4.022 -0.657 1.00 0.00 C ATOM 609 O ILE A 117 -5.812 -3.548 0.473 1.00 0.00 O ATOM 610 CB ILE A 117 -5.559 -6.507 -0.412 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.877 -7.768 -0.944 1.00 0.00 C ATOM 612 CG2 ILE A 117 -7.018 -6.476 -0.836 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.683 -8.840 0.106 1.00 0.00 C ATOM 0 H ILE A 117 -3.489 -5.427 0.699 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.639 -5.339 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.517 -6.522 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.472 -8.175 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.906 -7.498 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.521 -7.374 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.501 -5.595 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.080 -6.437 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.194 -9.705 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.063 -8.451 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.653 -9.138 0.505 1.00 0.00 H new ATOM 625 N VAL A 118 -6.321 -3.522 -1.720 1.00 0.00 N ATOM 626 CA VAL A 118 -7.194 -2.359 -1.620 1.00 0.00 C ATOM 627 C VAL A 118 -8.607 -2.776 -1.227 1.00 0.00 C ATOM 628 O VAL A 118 -9.413 -1.952 -0.797 1.00 0.00 O ATOM 629 CB VAL A 118 -7.253 -1.583 -2.950 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.890 -0.218 -2.748 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.862 -1.449 -3.551 1.00 0.00 C ATOM 0 H VAL A 118 -6.237 -3.905 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.776 -1.710 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.873 -2.144 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.922 0.313 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.904 -0.342 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.302 0.356 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.923 -0.898 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.216 -0.912 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.449 -2.440 -3.738 1.00 0.00 H new ATOM 641 N GLU A 119 -8.895 -4.064 -1.380 1.00 0.00 N ATOM 642 CA GLU A 119 -10.208 -4.602 -1.045 1.00 0.00 C ATOM 643 C GLU A 119 -11.315 -3.689 -1.559 1.00 0.00 C ATOM 644 O GLU A 119 -12.342 -3.512 -0.904 1.00 0.00 O ATOM 645 CB GLU A 119 -10.341 -4.786 0.468 1.00 0.00 C ATOM 646 CG GLU A 119 -11.662 -5.411 0.892 1.00 0.00 C ATOM 647 CD GLU A 119 -12.299 -4.691 2.064 1.00 0.00 C ATOM 648 OE1 GLU A 119 -11.778 -4.814 3.192 1.00 0.00 O ATOM 649 OE2 GLU A 119 -13.322 -4.005 1.854 1.00 0.00 O ATOM 0 H GLU A 119 -8.235 -4.756 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.308 -5.574 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.522 -5.412 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.235 -3.816 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.351 -5.403 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.497 -6.455 1.158 1.00 0.00 H new ATOM 656 N ALA A 120 -11.099 -3.116 -2.736 1.00 0.00 N ATOM 657 CA ALA A 120 -12.081 -2.226 -3.340 1.00 0.00 C ATOM 658 C ALA A 120 -13.364 -2.980 -3.663 1.00 0.00 C ATOM 659 O ALA A 120 -13.428 -3.725 -4.642 1.00 0.00 O ATOM 660 CB ALA A 120 -11.512 -1.584 -4.597 1.00 0.00 C ATOM 0 H ALA A 120 -10.254 -3.252 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.317 -1.439 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.258 -0.922 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.622 -1.009 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.248 -2.361 -5.315 1.00 0.00 H new ATOM 666 N MET A 121 -14.383 -2.790 -2.831 1.00 0.00 N ATOM 667 CA MET A 121 -15.662 -3.460 -3.027 1.00 0.00 C ATOM 668 C MET A 121 -15.460 -4.962 -3.189 1.00 0.00 C ATOM 669 O MET A 121 -16.247 -5.639 -3.852 1.00 0.00 O ATOM 670 CB MET A 121 -16.380 -2.893 -4.253 1.00 0.00 C ATOM 671 CG MET A 121 -15.785 -3.351 -5.575 1.00 0.00 C ATOM 672 SD MET A 121 -16.995 -3.372 -6.911 1.00 0.00 S ATOM 673 CE MET A 121 -17.512 -1.658 -6.925 1.00 0.00 C ATOM 0 H MET A 121 -14.347 -2.178 -2.016 1.00 0.00 H new ATOM 0 HA MET A 121 -16.279 -3.283 -2.146 1.00 0.00 H new ATOM 0 HB2 MET A 121 -17.429 -3.185 -4.216 1.00 0.00 H new ATOM 0 HB3 MET A 121 -16.351 -1.804 -4.209 1.00 0.00 H new ATOM 0 HG2 MET A 121 -14.961 -2.691 -5.846 1.00 0.00 H new ATOM 0 HG3 MET A 121 -15.366 -4.350 -5.454 1.00 0.00 H new ATOM 0 HE1 MET A 121 -18.153 -1.478 -7.788 1.00 0.00 H new ATOM 0 HE2 MET A 121 -18.064 -1.437 -6.011 1.00 0.00 H new ATOM 0 HE3 MET A 121 -16.635 -1.014 -6.984 1.00 0.00 H new ATOM 683 N LYS A 122 -14.395 -5.477 -2.581 1.00 0.00 N ATOM 684 CA LYS A 122 -14.079 -6.898 -2.657 1.00 0.00 C ATOM 685 C LYS A 122 -13.429 -7.234 -3.994 1.00 0.00 C ATOM 686 O LYS A 122 -13.969 -8.010 -4.782 1.00 0.00 O ATOM 687 CB LYS A 122 -15.345 -7.735 -2.465 1.00 0.00 C ATOM 688 CG LYS A 122 -15.068 -9.189 -2.118 1.00 0.00 C ATOM 689 CD LYS A 122 -14.023 -9.311 -1.019 1.00 0.00 C ATOM 690 CE LYS A 122 -14.439 -8.555 0.232 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.562 -8.846 1.363 1.00 0.00 N ATOM 0 H LYS A 122 -13.735 -4.929 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.375 -7.134 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.948 -7.290 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.939 -7.695 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.992 -9.670 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.725 -9.717 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.870 -10.363 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.069 -8.925 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.427 -7.484 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.464 -8.819 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.880 -8.311 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.593 -9.864 1.573 1.00 0.00 H new ATOM 702 N MET A 123 -12.266 -6.641 -4.245 1.00 0.00 N ATOM 703 CA MET A 123 -11.541 -6.872 -5.489 1.00 0.00 C ATOM 704 C MET A 123 -10.127 -7.383 -5.213 1.00 0.00 C ATOM 705 O MET A 123 -9.376 -7.683 -6.141 1.00 0.00 O ATOM 706 CB MET A 123 -11.494 -5.580 -6.317 1.00 0.00 C ATOM 707 CG MET A 123 -10.262 -5.451 -7.201 1.00 0.00 C ATOM 708 SD MET A 123 -10.350 -4.031 -8.311 1.00 0.00 S ATOM 709 CE MET A 123 -9.715 -2.732 -7.252 1.00 0.00 C ATOM 0 H MET A 123 -11.805 -5.996 -3.603 1.00 0.00 H new ATOM 0 HA MET A 123 -12.068 -7.638 -6.058 1.00 0.00 H new ATOM 0 HB2 MET A 123 -12.384 -5.531 -6.944 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.533 -4.726 -5.640 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.376 -5.362 -6.572 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.145 -6.361 -7.790 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.429 -1.909 -7.218 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.565 -3.124 -6.246 1.00 0.00 H new ATOM 0 HE3 MET A 123 -8.765 -2.373 -7.647 1.00 0.00 H new ATOM 719 N MET A 124 -9.771 -7.481 -3.935 1.00 0.00 N ATOM 720 CA MET A 124 -8.449 -7.957 -3.545 1.00 0.00 C ATOM 721 C MET A 124 -7.366 -7.347 -4.428 1.00 0.00 C ATOM 722 O MET A 124 -6.410 -8.022 -4.811 1.00 0.00 O ATOM 723 CB MET A 124 -8.390 -9.484 -3.627 1.00 0.00 C ATOM 724 CG MET A 124 -9.304 -10.183 -2.634 1.00 0.00 C ATOM 725 SD MET A 124 -8.861 -9.838 -0.920 1.00 0.00 S ATOM 726 CE MET A 124 -10.433 -10.102 -0.103 1.00 0.00 C ATOM 0 H MET A 124 -10.379 -7.237 -3.153 1.00 0.00 H new ATOM 0 HA MET A 124 -8.269 -7.647 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.658 -9.796 -4.636 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.364 -9.809 -3.455 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.333 -9.869 -2.810 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.266 -11.259 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.262 -10.519 0.889 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.960 -9.152 -0.012 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.036 -10.796 -0.689 1.00 0.00 H new ATOM 736 N ASN A 125 -7.521 -6.066 -4.748 1.00 0.00 N ATOM 737 CA ASN A 125 -6.554 -5.366 -5.586 1.00 0.00 C ATOM 738 C ASN A 125 -5.201 -5.272 -4.889 1.00 0.00 C ATOM 739 O ASN A 125 -4.737 -4.182 -4.555 1.00 0.00 O ATOM 740 CB ASN A 125 -7.063 -3.965 -5.927 1.00 0.00 C ATOM 741 CG ASN A 125 -5.992 -3.101 -6.563 1.00 0.00 C ATOM 742 OD1 ASN A 125 -4.882 -3.561 -6.827 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.323 -1.839 -6.813 1.00 0.00 N ATOM 0 H ASN A 125 -8.306 -5.492 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.430 -5.934 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.912 -4.045 -6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.425 -3.482 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.644 -1.209 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.256 -1.500 -6.577 1.00 0.00 H new ATOM 750 N GLN A 126 -4.573 -6.422 -4.674 1.00 0.00 N ATOM 751 CA GLN A 126 -3.272 -6.472 -4.018 1.00 0.00 C ATOM 752 C GLN A 126 -2.178 -5.938 -4.934 1.00 0.00 C ATOM 753 O GLN A 126 -1.742 -6.619 -5.863 1.00 0.00 O ATOM 754 CB GLN A 126 -2.950 -7.905 -3.591 1.00 0.00 C ATOM 755 CG GLN A 126 -2.645 -8.834 -4.756 1.00 0.00 C ATOM 756 CD GLN A 126 -2.694 -10.297 -4.362 1.00 0.00 C ATOM 757 OE1 GLN A 126 -2.174 -10.688 -3.317 1.00 0.00 O ATOM 758 NE2 GLN A 126 -3.322 -11.114 -5.200 1.00 0.00 N ATOM 0 H GLN A 126 -4.944 -7.333 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.314 -5.838 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.095 -7.890 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.793 -8.306 -3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.361 -8.653 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.657 -8.601 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -3.739 -10.746 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.388 -12.110 -4.988 1.00 0.00 H new ATOM 767 N ILE A 127 -1.740 -4.712 -4.666 1.00 0.00 N ATOM 768 CA ILE A 127 -0.697 -4.079 -5.464 1.00 0.00 C ATOM 769 C ILE A 127 0.670 -4.682 -5.165 1.00 0.00 C ATOM 770 O ILE A 127 0.868 -5.307 -4.123 1.00 0.00 O ATOM 771 CB ILE A 127 -0.640 -2.561 -5.212 1.00 0.00 C ATOM 772 CG1 ILE A 127 -2.047 -1.962 -5.247 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.255 -1.886 -6.241 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.703 -2.041 -6.608 1.00 0.00 C ATOM 0 H ILE A 127 -2.092 -4.137 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.949 -4.259 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.217 -2.388 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.672 -2.481 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.997 -0.918 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.285 -0.813 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.263 -2.295 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.141 -2.065 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.698 -1.598 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.099 -1.498 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.785 -3.084 -6.912 1.00 0.00 H new ATOM 786 N GLU A 128 1.609 -4.484 -6.083 1.00 0.00 N ATOM 787 CA GLU A 128 2.961 -5.004 -5.919 1.00 0.00 C ATOM 788 C GLU A 128 3.986 -3.876 -5.971 1.00 0.00 C ATOM 789 O GLU A 128 4.001 -3.080 -6.911 1.00 0.00 O ATOM 790 CB GLU A 128 3.268 -6.038 -7.005 1.00 0.00 C ATOM 791 CG GLU A 128 2.305 -7.215 -7.013 1.00 0.00 C ATOM 792 CD GLU A 128 2.933 -8.477 -7.573 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.965 -8.624 -8.812 1.00 0.00 O ATOM 794 OE2 GLU A 128 3.392 -9.317 -6.771 1.00 0.00 O ATOM 0 H GLU A 128 1.459 -3.967 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 128 3.023 -5.484 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.240 -5.549 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.283 -6.410 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.960 -7.405 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.426 -6.957 -7.604 1.00 0.00 H new ATOM 801 N ALA A 129 4.837 -3.810 -4.953 1.00 0.00 N ATOM 802 CA ALA A 129 5.864 -2.777 -4.882 1.00 0.00 C ATOM 803 C ALA A 129 6.422 -2.455 -6.263 1.00 0.00 C ATOM 804 O ALA A 129 7.376 -3.086 -6.719 1.00 0.00 O ATOM 805 CB ALA A 129 6.983 -3.209 -3.946 1.00 0.00 C ATOM 0 H ALA A 129 4.836 -4.459 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 129 5.403 -1.871 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.743 -2.429 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.578 -3.377 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.431 -4.131 -4.316 1.00 0.00 H new ATOM 811 N ASP A 130 5.826 -1.469 -6.924 1.00 0.00 N ATOM 812 CA ASP A 130 6.268 -1.063 -8.252 1.00 0.00 C ATOM 813 C ASP A 130 7.578 -0.284 -8.169 1.00 0.00 C ATOM 814 O ASP A 130 8.298 -0.153 -9.158 1.00 0.00 O ATOM 815 CB ASP A 130 5.196 -0.211 -8.934 1.00 0.00 C ATOM 816 CG ASP A 130 4.682 0.898 -8.037 1.00 0.00 C ATOM 817 OD1 ASP A 130 4.602 0.681 -6.810 1.00 0.00 O ATOM 818 OD2 ASP A 130 4.360 1.984 -8.563 1.00 0.00 O ATOM 0 H ASP A 130 5.035 -0.936 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 130 6.434 -1.962 -8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.607 0.224 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.364 -0.849 -9.232 1.00 0.00 H new ATOM 823 N LYS A 131 7.877 0.228 -6.980 1.00 0.00 N ATOM 824 CA LYS A 131 9.099 0.993 -6.762 1.00 0.00 C ATOM 825 C LYS A 131 9.949 0.354 -5.669 1.00 0.00 C ATOM 826 O LYS A 131 9.503 0.203 -4.532 1.00 0.00 O ATOM 827 CB LYS A 131 8.763 2.437 -6.387 1.00 0.00 C ATOM 828 CG LYS A 131 8.371 3.299 -7.576 1.00 0.00 C ATOM 829 CD LYS A 131 6.924 3.750 -7.485 1.00 0.00 C ATOM 830 CE LYS A 131 6.630 4.879 -8.459 1.00 0.00 C ATOM 831 NZ LYS A 131 5.865 5.982 -7.816 1.00 0.00 N ATOM 0 H LYS A 131 7.290 0.127 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 131 9.671 0.992 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.946 2.435 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.625 2.885 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.023 4.172 -7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.521 2.738 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.265 2.907 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.708 4.079 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.567 5.270 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.064 4.490 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.439 6.583 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.114 5.581 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.506 6.554 -7.230 1.00 0.00 H new ATOM 845 N SER A 132 11.173 -0.021 -6.023 1.00 0.00 N ATOM 846 CA SER A 132 12.087 -0.647 -5.074 1.00 0.00 C ATOM 847 C SER A 132 12.519 0.343 -3.998 1.00 0.00 C ATOM 848 O SER A 132 12.237 1.538 -4.090 1.00 0.00 O ATOM 849 CB SER A 132 13.316 -1.192 -5.803 1.00 0.00 C ATOM 850 OG SER A 132 14.392 -1.400 -4.904 1.00 0.00 O ATOM 0 H SER A 132 11.556 0.098 -6.961 1.00 0.00 H new ATOM 0 HA SER A 132 11.561 -1.472 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.064 -2.131 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.619 -0.494 -6.583 1.00 0.00 H new ATOM 0 HG SER A 132 15.165 -1.750 -5.394 1.00 0.00 H new ATOM 856 N GLY A 133 13.205 -0.163 -2.979 1.00 0.00 N ATOM 857 CA GLY A 133 13.665 0.688 -1.900 1.00 0.00 C ATOM 858 C GLY A 133 13.026 0.336 -0.572 1.00 0.00 C ATOM 859 O GLY A 133 12.470 -0.753 -0.411 1.00 0.00 O ATOM 0 H GLY A 133 13.450 -1.148 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.748 0.604 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.444 1.728 -2.142 1.00 0.00 H new ATOM 863 N THR A 134 13.107 1.262 0.381 1.00 0.00 N ATOM 864 CA THR A 134 12.535 1.052 1.706 1.00 0.00 C ATOM 865 C THR A 134 11.345 1.978 1.939 1.00 0.00 C ATOM 866 O THR A 134 11.352 3.132 1.511 1.00 0.00 O ATOM 867 CB THR A 134 13.596 1.282 2.783 1.00 0.00 C ATOM 868 OG1 THR A 134 14.741 0.487 2.537 1.00 0.00 O ATOM 869 CG2 THR A 134 13.109 0.965 4.181 1.00 0.00 C ATOM 0 H THR A 134 13.564 2.166 0.259 1.00 0.00 H new ATOM 0 HA THR A 134 12.185 0.021 1.765 1.00 0.00 H new ATOM 0 HB THR A 134 13.834 2.344 2.731 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.409 0.650 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.911 1.150 4.896 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.255 1.599 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.810 -0.082 4.234 1.00 0.00 H new ATOM 877 N VAL A 135 10.325 1.466 2.621 1.00 0.00 N ATOM 878 CA VAL A 135 9.130 2.250 2.911 1.00 0.00 C ATOM 879 C VAL A 135 9.390 3.243 4.039 1.00 0.00 C ATOM 880 O VAL A 135 9.921 2.881 5.088 1.00 0.00 O ATOM 881 CB VAL A 135 7.940 1.348 3.298 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.812 2.172 3.902 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.447 0.567 2.090 1.00 0.00 C ATOM 0 H VAL A 135 10.302 0.513 2.983 1.00 0.00 H new ATOM 0 HA VAL A 135 8.879 2.793 2.000 1.00 0.00 H new ATOM 0 HB VAL A 135 8.281 0.637 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.983 1.515 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 135 7.172 2.681 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.472 2.910 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.607 -0.064 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.126 1.262 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.254 -0.058 1.707 1.00 0.00 H new ATOM 893 N LYS A 136 9.008 4.497 3.815 1.00 0.00 N ATOM 894 CA LYS A 136 9.200 5.541 4.814 1.00 0.00 C ATOM 895 C LYS A 136 8.074 5.521 5.843 1.00 0.00 C ATOM 896 O LYS A 136 8.315 5.642 7.044 1.00 0.00 O ATOM 897 CB LYS A 136 9.271 6.914 4.143 1.00 0.00 C ATOM 898 CG LYS A 136 10.586 7.637 4.378 1.00 0.00 C ATOM 899 CD LYS A 136 10.777 7.987 5.845 1.00 0.00 C ATOM 900 CE LYS A 136 11.845 7.118 6.490 1.00 0.00 C ATOM 901 NZ LYS A 136 13.213 7.484 6.027 1.00 0.00 N ATOM 0 H LYS A 136 8.565 4.813 2.952 1.00 0.00 H new ATOM 0 HA LYS A 136 10.142 5.349 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.119 6.794 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.454 7.533 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.412 7.010 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.613 8.548 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.056 9.037 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.834 7.861 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.789 7.219 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 136 11.651 6.071 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.655 6.663 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.151 8.270 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 13.789 7.775 6.842 1.00 0.00 H new ATOM 915 N ALA A 137 6.843 5.368 5.365 1.00 0.00 N ATOM 916 CA ALA A 137 5.683 5.332 6.250 1.00 0.00 C ATOM 917 C ALA A 137 4.379 5.322 5.458 1.00 0.00 C ATOM 918 O ALA A 137 4.341 5.723 4.295 1.00 0.00 O ATOM 919 CB ALA A 137 5.713 6.518 7.201 1.00 0.00 C ATOM 0 H ALA A 137 6.623 5.267 4.374 1.00 0.00 H new ATOM 0 HA ALA A 137 5.729 4.409 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.843 6.481 7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.622 6.480 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.696 7.445 6.627 1.00 0.00 H new ATOM 925 N ILE A 138 3.310 4.862 6.101 1.00 0.00 N ATOM 926 CA ILE A 138 1.999 4.799 5.465 1.00 0.00 C ATOM 927 C ILE A 138 1.035 5.791 6.110 1.00 0.00 C ATOM 928 O ILE A 138 0.986 5.918 7.333 1.00 0.00 O ATOM 929 CB ILE A 138 1.396 3.379 5.552 1.00 0.00 C ATOM 930 CG1 ILE A 138 2.130 2.430 4.603 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.092 3.405 5.231 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.343 1.179 4.272 1.00 0.00 C ATOM 0 H ILE A 138 3.327 4.527 7.064 1.00 0.00 H new ATOM 0 HA ILE A 138 2.140 5.058 4.416 1.00 0.00 H new ATOM 0 HB ILE A 138 1.519 3.016 6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.361 2.960 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.081 2.143 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.496 2.395 5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.607 4.050 5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.240 3.789 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.924 0.552 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.135 0.627 5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.403 1.456 3.794 1.00 0.00 H new ATOM 944 N LEU A 139 0.267 6.488 5.279 1.00 0.00 N ATOM 945 CA LEU A 139 -0.699 7.464 5.769 1.00 0.00 C ATOM 946 C LEU A 139 -2.104 6.878 5.768 1.00 0.00 C ATOM 947 O LEU A 139 -2.831 6.979 6.756 1.00 0.00 O ATOM 948 CB LEU A 139 -0.667 8.726 4.908 1.00 0.00 C ATOM 949 CG LEU A 139 0.346 9.785 5.345 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.766 9.266 5.178 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.148 11.069 4.554 1.00 0.00 C ATOM 0 H LEU A 139 0.295 6.395 4.264 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.427 7.724 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.449 8.440 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.661 9.174 4.910 1.00 0.00 H new ATOM 0 HG LEU A 139 0.184 10.003 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.473 10.033 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.901 8.374 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.942 9.019 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 139 0.877 11.812 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.284 10.866 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.859 11.450 4.725 1.00 0.00 H new ATOM 963 N VAL A 140 -2.480 6.269 4.648 1.00 0.00 N ATOM 964 CA VAL A 140 -3.798 5.669 4.510 1.00 0.00 C ATOM 965 C VAL A 140 -4.270 5.065 5.828 1.00 0.00 C ATOM 966 O VAL A 140 -3.559 4.280 6.456 1.00 0.00 O ATOM 967 CB VAL A 140 -3.809 4.578 3.421 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.089 3.758 3.492 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.645 5.200 2.042 1.00 0.00 C ATOM 0 H VAL A 140 -1.888 6.179 3.822 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.479 6.468 4.218 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.967 3.909 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.075 2.994 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.161 3.280 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -5.949 4.412 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.655 4.415 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.465 5.894 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.698 5.737 1.995 1.00 0.00 H new ATOM 979 N GLU A 141 -5.478 5.434 6.233 1.00 0.00 N ATOM 980 CA GLU A 141 -6.063 4.931 7.468 1.00 0.00 C ATOM 981 C GLU A 141 -6.342 3.442 7.345 1.00 0.00 C ATOM 982 O GLU A 141 -7.487 3.000 7.427 1.00 0.00 O ATOM 983 CB GLU A 141 -7.355 5.682 7.793 1.00 0.00 C ATOM 984 CG GLU A 141 -7.294 7.167 7.475 1.00 0.00 C ATOM 985 CD GLU A 141 -8.005 7.515 6.182 1.00 0.00 C ATOM 986 OE1 GLU A 141 -9.071 6.922 5.913 1.00 0.00 O ATOM 987 OE2 GLU A 141 -7.498 8.382 5.439 1.00 0.00 O ATOM 0 H GLU A 141 -6.074 6.084 5.721 1.00 0.00 H new ATOM 0 HA GLU A 141 -5.353 5.093 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -8.176 5.233 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -7.582 5.555 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.742 7.729 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -6.252 7.478 7.407 1.00 0.00 H new ATOM 994 N SER A 142 -5.279 2.678 7.139 1.00 0.00 N ATOM 995 CA SER A 142 -5.381 1.236 6.994 1.00 0.00 C ATOM 996 C SER A 142 -6.478 0.670 7.894 1.00 0.00 C ATOM 997 O SER A 142 -6.872 1.300 8.876 1.00 0.00 O ATOM 998 CB SER A 142 -4.038 0.598 7.323 1.00 0.00 C ATOM 999 OG SER A 142 -4.141 -0.280 8.431 1.00 0.00 O ATOM 0 H SER A 142 -4.328 3.039 7.068 1.00 0.00 H new ATOM 0 HA SER A 142 -5.648 1.005 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.671 0.050 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.307 1.377 7.540 1.00 0.00 H new ATOM 0 HG SER A 142 -3.252 -0.425 8.817 1.00 0.00 H new ATOM 1005 N GLY A 143 -6.976 -0.516 7.552 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.029 -1.124 8.340 1.00 0.00 C ATOM 1007 C GLY A 143 -9.351 -0.397 8.177 1.00 0.00 C ATOM 1008 O GLY A 143 -10.336 -0.726 8.838 1.00 0.00 O ATOM 0 H GLY A 143 -6.669 -1.063 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.149 -2.166 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.742 -1.123 9.391 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.365 0.598 7.294 1.00 0.00 N ATOM 1013 CA GLN A 144 -10.567 1.384 7.038 1.00 0.00 C ATOM 1014 C GLN A 144 -10.699 1.700 5.551 1.00 0.00 C ATOM 1015 O GLN A 144 -9.827 1.358 4.753 1.00 0.00 O ATOM 1016 CB GLN A 144 -10.529 2.684 7.843 1.00 0.00 C ATOM 1017 CG GLN A 144 -11.636 2.795 8.878 1.00 0.00 C ATOM 1018 CD GLN A 144 -11.975 4.234 9.218 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -13.092 4.537 9.638 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -11.011 5.131 9.036 1.00 0.00 N ATOM 0 H GLN A 144 -8.554 0.879 6.742 1.00 0.00 H new ATOM 0 HA GLN A 144 -11.431 0.796 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -9.565 2.762 8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -10.600 3.528 7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -12.529 2.294 8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.333 2.273 9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -10.099 4.836 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -11.183 6.114 9.247 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.797 2.364 5.164 1.00 0.00 N ATOM 1030 CA PRO A 145 -12.049 2.735 3.766 1.00 0.00 C ATOM 1031 C PRO A 145 -10.933 3.601 3.189 1.00 0.00 C ATOM 1032 O PRO A 145 -10.173 4.225 3.930 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.359 3.529 3.832 1.00 0.00 C ATOM 1034 CG PRO A 145 -14.003 3.106 5.108 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.879 2.806 6.057 1.00 0.00 C ATOM 0 HA PRO A 145 -12.100 1.860 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.171 4.603 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.997 3.309 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -14.646 3.894 5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.631 2.228 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.592 3.686 6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -13.152 2.031 6.773 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.840 3.635 1.864 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.816 4.425 1.190 1.00 0.00 C ATOM 1045 C VAL A 146 -10.445 5.461 0.264 1.00 0.00 C ATOM 1046 O VAL A 146 -11.589 5.312 -0.163 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.864 3.535 0.371 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.879 4.385 -0.416 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.131 2.561 1.281 1.00 0.00 C ATOM 0 H VAL A 146 -11.461 3.125 1.236 1.00 0.00 H new ATOM 0 HA VAL A 146 -9.246 4.932 1.968 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.457 2.959 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.215 3.737 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.425 5.038 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.290 4.991 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.462 1.940 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.550 3.117 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.855 1.927 1.794 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.689 6.511 -0.042 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.174 7.572 -0.917 1.00 0.00 C ATOM 1061 C GLU A 147 -9.209 7.806 -2.076 1.00 0.00 C ATOM 1062 O GLU A 147 -8.015 7.533 -1.966 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.363 8.868 -0.126 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.818 9.273 0.040 1.00 0.00 C ATOM 1065 CD GLU A 147 -12.281 9.208 1.483 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -12.645 8.104 1.940 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -12.280 10.261 2.154 1.00 0.00 O ATOM 0 H GLU A 147 -8.739 6.649 0.303 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.135 7.260 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.912 8.751 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.826 9.672 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.954 10.287 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.444 8.621 -0.568 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.738 8.314 -3.185 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.924 8.586 -4.364 1.00 0.00 C ATOM 1076 C PHE A 148 -7.801 9.564 -4.035 1.00 0.00 C ATOM 1077 O PHE A 148 -8.052 10.689 -3.601 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.792 9.145 -5.489 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.008 9.844 -6.562 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.210 9.121 -7.442 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.066 11.228 -6.693 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.486 9.765 -8.433 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.344 11.876 -7.682 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.553 11.143 -8.553 1.00 0.00 C ATOM 0 H PHE A 148 -10.726 8.545 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.478 7.647 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.360 8.330 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.515 9.842 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.154 8.046 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -9.680 11.803 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -6.870 9.193 -9.111 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.397 12.951 -7.774 1.00 0.00 H new ATOM 0 HZ PHE A 148 -6.989 11.646 -9.325 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.563 9.129 -4.245 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.403 9.966 -3.970 1.00 0.00 C ATOM 1096 C ASP A 149 -5.037 9.919 -2.490 1.00 0.00 C ATOM 1097 O ASP A 149 -4.924 10.954 -1.833 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.676 11.410 -4.394 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.424 12.119 -4.872 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.687 12.661 -4.021 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.181 12.135 -6.097 1.00 0.00 O ATOM 0 H ASP A 149 -6.338 8.201 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.563 9.579 -4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.421 11.417 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.102 11.958 -3.554 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.852 8.709 -1.971 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.498 8.524 -0.569 1.00 0.00 C ATOM 1108 C GLU A 150 -3.137 7.848 -0.443 1.00 0.00 C ATOM 1109 O GLU A 150 -2.994 6.659 -0.730 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.565 7.689 0.143 1.00 0.00 C ATOM 1111 CG GLU A 150 -5.850 8.148 1.564 1.00 0.00 C ATOM 1112 CD GLU A 150 -6.822 9.310 1.617 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -6.638 10.275 0.847 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -7.770 9.255 2.430 1.00 0.00 O ATOM 0 H GLU A 150 -4.942 7.842 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.444 9.505 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.489 7.727 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.245 6.647 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.255 7.314 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -4.915 8.439 2.042 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.118 8.604 -0.012 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.761 8.082 0.151 1.00 0.00 C ATOM 1123 C PRO A 151 -0.741 6.712 0.820 1.00 0.00 C ATOM 1124 O PRO A 151 -0.634 6.607 2.042 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.097 9.129 1.042 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.792 10.403 0.703 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.210 10.030 0.350 1.00 0.00 C ATOM 0 HA PRO A 151 -0.258 7.931 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.212 8.883 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.973 9.196 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.770 11.094 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.302 10.903 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.886 10.187 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.587 10.630 -0.478 1.00 0.00 H new ATOM 1135 N LEU A 152 -0.847 5.664 0.010 1.00 0.00 N ATOM 1136 CA LEU A 152 -0.844 4.298 0.519 1.00 0.00 C ATOM 1137 C LEU A 152 0.474 3.977 1.216 1.00 0.00 C ATOM 1138 O LEU A 152 0.489 3.545 2.368 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.083 3.306 -0.621 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.329 3.577 -1.466 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.130 3.074 -2.887 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.551 2.927 -0.835 1.00 0.00 C ATOM 0 H LEU A 152 -0.936 5.735 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.650 4.209 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.211 3.311 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.160 2.304 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.493 4.654 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.027 3.275 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.279 3.585 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.941 2.001 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.429 3.130 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.396 1.850 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.705 3.335 0.164 1.00 0.00 H new ATOM 1154 N VAL A 153 1.579 4.191 0.510 1.00 0.00 N ATOM 1155 CA VAL A 153 2.901 3.921 1.063 1.00 0.00 C ATOM 1156 C VAL A 153 3.953 4.836 0.448 1.00 0.00 C ATOM 1157 O VAL A 153 4.199 4.791 -0.757 1.00 0.00 O ATOM 1158 CB VAL A 153 3.317 2.457 0.836 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.501 2.093 1.717 1.00 0.00 C ATOM 1160 CG2 VAL A 153 2.143 1.523 1.095 1.00 0.00 C ATOM 0 H VAL A 153 1.586 4.550 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 153 2.839 4.112 2.134 1.00 0.00 H new ATOM 0 HB VAL A 153 3.621 2.343 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.779 1.054 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.345 2.740 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.229 2.224 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.455 0.492 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.806 1.639 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.326 1.768 0.416 1.00 0.00 H new ATOM 1170 N VAL A 154 4.572 5.665 1.282 1.00 0.00 N ATOM 1171 CA VAL A 154 5.599 6.589 0.818 1.00 0.00 C ATOM 1172 C VAL A 154 6.983 5.954 0.897 1.00 0.00 C ATOM 1173 O VAL A 154 7.471 5.637 1.983 1.00 0.00 O ATOM 1174 CB VAL A 154 5.596 7.895 1.634 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.180 8.428 1.783 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.237 7.676 2.995 1.00 0.00 C ATOM 0 H VAL A 154 4.380 5.715 2.282 1.00 0.00 H new ATOM 0 HA VAL A 154 5.367 6.823 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 154 6.185 8.639 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.198 9.351 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.760 8.627 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.565 7.689 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.226 8.610 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.679 6.916 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.267 7.344 2.863 1.00 0.00 H new ATOM 1186 N ILE A 155 7.607 5.769 -0.262 1.00 0.00 N ATOM 1187 CA ILE A 155 8.935 5.170 -0.332 1.00 0.00 C ATOM 1188 C ILE A 155 10.022 6.215 -0.105 1.00 0.00 C ATOM 1189 O ILE A 155 9.811 7.406 -0.338 1.00 0.00 O ATOM 1190 CB ILE A 155 9.170 4.487 -1.693 1.00 0.00 C ATOM 1191 CG1 ILE A 155 8.027 3.519 -2.003 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.506 3.760 -1.702 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.889 3.197 -3.476 1.00 0.00 C ATOM 0 H ILE A 155 7.213 6.026 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 155 8.987 4.420 0.457 1.00 0.00 H new ATOM 0 HB ILE A 155 9.195 5.253 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.186 2.593 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.091 3.948 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.655 3.284 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.310 4.474 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.512 3.001 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 155 7.059 2.505 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.698 4.115 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.810 2.739 -3.836 1.00 0.00 H new ATOM 1205 N GLU A 156 11.185 5.762 0.350 1.00 0.00 N ATOM 1206 CA GLU A 156 12.306 6.658 0.609 1.00 0.00 C ATOM 1207 C GLU A 156 13.214 6.762 -0.612 1.00 0.00 C ATOM 1208 O GLU A 156 13.981 7.743 -0.697 1.00 0.00 O ATOM 1209 CB GLU A 156 13.109 6.168 1.816 1.00 0.00 C ATOM 1210 CG GLU A 156 13.935 7.256 2.480 1.00 0.00 C ATOM 1211 CD GLU A 156 15.211 6.722 3.101 1.00 0.00 C ATOM 1212 OE1 GLU A 156 15.693 5.662 2.648 1.00 0.00 O ATOM 1213 OE2 GLU A 156 15.729 7.363 4.039 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.149 5.860 -1.475 1.00 0.00 O ATOM 0 H GLU A 156 11.376 4.780 0.547 1.00 0.00 H new ATOM 0 HA GLU A 156 11.905 7.648 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.423 5.745 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.772 5.363 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.186 8.018 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.336 7.743 3.250 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -13.696 -8.286 2.561 1.00 0.00 C HETATM 1223 O11 BTN A 222 -14.089 -7.124 2.670 1.00 0.00 O HETATM 1224 C10 BTN A 222 -13.368 -9.062 3.819 1.00 0.00 C HETATM 1225 C9 BTN A 222 -11.898 -9.442 3.903 1.00 0.00 C HETATM 1226 C8 BTN A 222 -11.169 -8.614 4.950 1.00 0.00 C HETATM 1227 C7 BTN A 222 -9.664 -8.809 4.865 1.00 0.00 C HETATM 1228 C2 BTN A 222 -8.914 -7.579 4.333 1.00 0.00 C HETATM 1229 S1 BTN A 222 -9.767 -6.665 2.988 1.00 0.00 S HETATM 1230 C6 BTN A 222 -9.045 -7.779 1.710 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.645 -8.142 2.207 1.00 0.00 C HETATM 1232 N1 BTN A 222 -7.355 -9.564 2.059 1.00 0.00 N HETATM 1233 C3 BTN A 222 -7.118 -10.203 3.207 1.00 0.00 C HETATM 1234 O3 BTN A 222 -6.852 -11.397 3.336 1.00 0.00 O HETATM 1235 N2 BTN A 222 -7.225 -9.305 4.184 1.00 0.00 N HETATM 1236 C4 BTN A 222 -7.551 -7.961 3.724 1.00 0.00 C HETATM 0 H102 BTN A 222 -13.636 -8.465 4.691 1.00 0.00 H new HETATM 0 H101 BTN A 222 -13.976 -9.966 3.853 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -7.091 -9.537 5.168 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -7.335 -10.032 1.153 1.00 0.00 H new HETATM 0 H92 BTN A 222 -11.808 -10.501 4.147 1.00 0.00 H new HETATM 0 H91 BTN A 222 -11.427 -9.298 2.931 1.00 0.00 H new HETATM 0 H82 BTN A 222 -11.409 -7.560 4.813 1.00 0.00 H new HETATM 0 H81 BTN A 222 -11.518 -8.894 5.944 1.00 0.00 H new HETATM 0 H72 BTN A 222 -9.282 -9.057 5.855 1.00 0.00 H new HETATM 0 H71 BTN A 222 -9.452 -9.661 4.219 1.00 0.00 H new HETATM 0 H62 BTN A 222 -9.657 -8.672 1.581 1.00 0.00 H new HETATM 0 H61 BTN A 222 -8.998 -7.282 0.741 1.00 0.00 H new HETATM 0 H5 BTN A 222 -6.974 -7.508 1.628 1.00 0.00 H new HETATM 0 H4 BTN A 222 -6.841 -7.182 4.000 1.00 0.00 H new HETATM 0 H2 BTN A 222 -8.836 -6.952 5.221 1.00 0.00 H new