USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1078 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 65 LYS NZ :NH3+ 173:sc= 0.127 (180deg=0) USER MOD Set 1.2: A 105 TYR OH : rot 113:sc= 1.33 USER MOD Set 2.1: A 12 GLN : amide:sc= -1.31 K(o=-12,f=-18!) USER MOD Set 2.2: A 40 HIS : no HD1:sc= -10.5! C(o=-12!,f=-17!) USER MOD Set 3.1: A 30 GLN : amide:sc= 0 X(o=-0.44,f=-0.44) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Set 4.1: A 3 GLN : amide:sc= 0 X(o=-1,f=-1.2) USER MOD Set 4.2: A 8 MET CE :methyl 158:sc= -1.05 (180deg=-1.82!) USER MOD Single : A 1 ALA N :NH3+ 169:sc= -0.0121 (180deg=-0.176) USER MOD Single : A 4 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.63) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 25 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.063) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0423 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -2.25 (180deg=-3.78!) USER MOD Single : A 32 LYS NZ :NH3+ 137:sc= 1.22 (180deg=-0.00517) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= -1.33 (180deg=-2.75) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.64 K(o=-0.64,f=-6.2!) USER MOD Single : A 50 MET CE :methyl 138:sc= -2.51 (180deg=-4.49!) USER MOD Single : A 53 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -155:sc= -0.489 (180deg=-1.77!) USER MOD Single : A 70 MET CE :methyl 174:sc= -5.23! (180deg=-5.4!) USER MOD Single : A 71 CYS SG : rot 111:sc= -3.24! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.608 K(o=0.61,f=-0.44) USER MOD Single : A 78 THR OG1 : rot -111:sc= -0.157 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot -168:sc= -1.04 USER MOD Single : A 104 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.39) USER MOD Single : A 118 THR OG1 : rot 71:sc= 1.33 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -89:sc= -1.6! USER MOD Single : A 123 MET CE :methyl -134:sc= -8.78! (180deg=-12.8!) USER MOD Single : A 125 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.4) USER MOD Single : A 126 ASN : amide:sc= -0.205 K(o=-0.21,f=-3!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.942 25.332 9.507 1.00 0.00 N ATOM 2 CA ALA A 1 -2.605 24.707 9.338 1.00 0.00 C ATOM 3 C ALA A 1 -2.703 23.419 8.525 1.00 0.00 C ATOM 4 O ALA A 1 -1.969 22.462 8.771 1.00 0.00 O ATOM 5 CB ALA A 1 -1.978 24.427 10.696 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.882 26.095 10.211 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.259 25.724 8.598 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.622 24.615 9.831 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.970 25.405 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.999 23.969 10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.867 25.362 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.619 23.749 11.260 1.00 0.00 H new ATOM 13 N ARG A 2 -3.612 23.405 7.556 1.00 0.00 N ATOM 14 CA ARG A 2 -3.804 22.234 6.706 1.00 0.00 C ATOM 15 C ARG A 2 -2.503 21.849 6.014 1.00 0.00 C ATOM 16 O ARG A 2 -1.996 20.742 6.191 1.00 0.00 O ATOM 17 CB ARG A 2 -4.889 22.509 5.661 1.00 0.00 C ATOM 18 CG ARG A 2 -6.284 22.633 6.253 1.00 0.00 C ATOM 19 CD ARG A 2 -6.762 24.078 6.266 1.00 0.00 C ATOM 20 NE ARG A 2 -6.887 24.628 4.918 1.00 0.00 N ATOM 21 CZ ARG A 2 -5.976 25.411 4.340 1.00 0.00 C ATOM 22 NH1 ARG A 2 -4.860 25.737 4.980 1.00 0.00 N ATOM 23 NH2 ARG A 2 -6.180 25.867 3.112 1.00 0.00 N ATOM 0 H ARG A 2 -4.227 24.190 7.339 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.120 21.404 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.645 23.429 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.885 21.705 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.980 22.024 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.284 22.240 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.726 24.136 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.063 24.685 6.841 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.726 24.398 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.693 25.388 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.170 26.337 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.033 25.619 2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.484 26.466 2.668 1.00 0.00 H new ATOM 37 N GLN A 3 -1.968 22.775 5.230 1.00 0.00 N ATOM 38 CA GLN A 3 -0.719 22.544 4.509 1.00 0.00 C ATOM 39 C GLN A 3 0.390 22.133 5.472 1.00 0.00 C ATOM 40 O GLN A 3 1.230 21.296 5.145 1.00 0.00 O ATOM 41 CB GLN A 3 -0.312 23.806 3.741 1.00 0.00 C ATOM 42 CG GLN A 3 1.074 23.725 3.119 1.00 0.00 C ATOM 43 CD GLN A 3 1.060 23.969 1.624 1.00 0.00 C ATOM 44 OE1 GLN A 3 0.955 25.108 1.169 1.00 0.00 O ATOM 45 NE2 GLN A 3 1.166 22.895 0.848 1.00 0.00 N ATOM 0 H GLN A 3 -2.379 23.696 5.075 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.876 21.733 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.043 23.993 2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.347 24.659 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.725 24.457 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.500 22.742 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.251 21.969 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.162 22.997 -0.167 1.00 0.00 H new ATOM 54 N GLN A 4 0.386 22.724 6.661 1.00 0.00 N ATOM 55 CA GLN A 4 1.390 22.413 7.670 1.00 0.00 C ATOM 56 C GLN A 4 1.355 20.929 8.023 1.00 0.00 C ATOM 57 O GLN A 4 2.393 20.304 8.233 1.00 0.00 O ATOM 58 CB GLN A 4 1.166 23.256 8.927 1.00 0.00 C ATOM 59 CG GLN A 4 2.215 23.031 10.004 1.00 0.00 C ATOM 60 CD GLN A 4 3.616 23.374 9.537 1.00 0.00 C ATOM 61 OE1 GLN A 4 4.178 24.399 9.922 1.00 0.00 O ATOM 62 NE2 GLN A 4 4.189 22.516 8.698 1.00 0.00 N ATOM 0 H GLN A 4 -0.301 23.421 6.949 1.00 0.00 H new ATOM 0 HA GLN A 4 2.371 22.651 7.258 1.00 0.00 H new ATOM 0 HB2 GLN A 4 1.161 24.311 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.182 23.029 9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.969 23.636 10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.187 21.988 10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.687 21.678 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.130 22.696 8.348 1.00 0.00 H new ATOM 71 N GLU A 5 0.148 20.371 8.079 1.00 0.00 N ATOM 72 CA GLU A 5 -0.022 18.956 8.397 1.00 0.00 C ATOM 73 C GLU A 5 0.452 18.098 7.234 1.00 0.00 C ATOM 74 O GLU A 5 1.339 17.258 7.386 1.00 0.00 O ATOM 75 CB GLU A 5 -1.488 18.642 8.711 1.00 0.00 C ATOM 76 CG GLU A 5 -2.243 19.799 9.345 1.00 0.00 C ATOM 77 CD GLU A 5 -3.174 19.350 10.455 1.00 0.00 C ATOM 78 OE1 GLU A 5 -3.548 18.159 10.471 1.00 0.00 O ATOM 79 OE2 GLU A 5 -3.530 20.192 11.307 1.00 0.00 O ATOM 0 H GLU A 5 -0.723 20.874 7.909 1.00 0.00 H new ATOM 0 HA GLU A 5 0.578 18.729 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.993 18.353 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.530 17.783 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.529 20.519 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.821 20.315 8.578 1.00 0.00 H new ATOM 86 N ILE A 6 -0.138 18.332 6.070 1.00 0.00 N ATOM 87 CA ILE A 6 0.226 17.603 4.863 1.00 0.00 C ATOM 88 C ILE A 6 1.717 17.732 4.603 1.00 0.00 C ATOM 89 O ILE A 6 2.455 16.746 4.595 1.00 0.00 O ATOM 90 CB ILE A 6 -0.535 18.151 3.638 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.042 17.966 3.815 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.058 17.488 2.353 1.00 0.00 C ATOM 93 CD1 ILE A 6 -2.773 19.267 4.037 1.00 0.00 C ATOM 0 H ILE A 6 -0.875 19.025 5.936 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.039 16.557 5.015 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.325 19.218 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.448 17.473 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.224 17.304 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.612 17.894 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.006 17.682 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.226 16.413 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.838 19.070 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.391 19.750 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.618 19.922 3.180 1.00 0.00 H new ATOM 105 N ASP A 7 2.140 18.969 4.385 1.00 0.00 N ATOM 106 CA ASP A 7 3.538 19.281 4.112 1.00 0.00 C ATOM 107 C ASP A 7 4.158 18.274 3.144 1.00 0.00 C ATOM 108 O ASP A 7 4.836 17.335 3.557 1.00 0.00 O ATOM 109 CB ASP A 7 4.340 19.318 5.414 1.00 0.00 C ATOM 110 CG ASP A 7 5.534 20.249 5.330 1.00 0.00 C ATOM 111 OD1 ASP A 7 5.428 21.291 4.651 1.00 0.00 O ATOM 112 OD2 ASP A 7 6.574 19.937 5.948 1.00 0.00 O ATOM 0 H ASP A 7 1.526 19.784 4.392 1.00 0.00 H new ATOM 0 HA ASP A 7 3.571 20.264 3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.690 19.637 6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.683 18.312 5.655 1.00 0.00 H new ATOM 117 N MET A 8 3.917 18.480 1.853 1.00 0.00 N ATOM 118 CA MET A 8 4.447 17.593 0.824 1.00 0.00 C ATOM 119 C MET A 8 5.972 17.660 0.765 1.00 0.00 C ATOM 120 O MET A 8 6.621 16.762 0.230 1.00 0.00 O ATOM 121 CB MET A 8 3.859 17.954 -0.541 1.00 0.00 C ATOM 122 CG MET A 8 4.049 19.414 -0.918 1.00 0.00 C ATOM 123 SD MET A 8 2.575 20.141 -1.661 1.00 0.00 S ATOM 124 CE MET A 8 1.347 19.773 -0.411 1.00 0.00 C ATOM 0 H MET A 8 3.358 19.254 1.495 1.00 0.00 H new ATOM 0 HA MET A 8 4.160 16.574 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.321 17.327 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.794 17.723 -0.541 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.320 19.982 -0.028 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.882 19.499 -1.616 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.508 20.462 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.994 18.750 -0.538 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.791 19.883 0.578 1.00 0.00 H new ATOM 134 N LYS A 9 6.542 18.731 1.314 1.00 0.00 N ATOM 135 CA LYS A 9 7.991 18.911 1.321 1.00 0.00 C ATOM 136 C LYS A 9 8.697 17.682 1.889 1.00 0.00 C ATOM 137 O LYS A 9 9.837 17.388 1.527 1.00 0.00 O ATOM 138 CB LYS A 9 8.368 20.151 2.131 1.00 0.00 C ATOM 139 CG LYS A 9 8.544 21.401 1.285 1.00 0.00 C ATOM 140 CD LYS A 9 9.990 21.581 0.849 1.00 0.00 C ATOM 141 CE LYS A 9 10.307 23.038 0.553 1.00 0.00 C ATOM 142 NZ LYS A 9 10.729 23.774 1.777 1.00 0.00 N ATOM 0 H LYS A 9 6.022 19.487 1.760 1.00 0.00 H new ATOM 0 HA LYS A 9 8.317 19.045 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.596 20.334 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.294 19.954 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.903 21.339 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.223 22.274 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.655 21.215 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.181 20.979 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.098 23.093 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.429 23.521 0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.936 24.764 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.964 23.744 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.582 23.329 2.173 1.00 0.00 H new ATOM 156 N ARG A 10 8.015 16.969 2.778 1.00 0.00 N ATOM 157 CA ARG A 10 8.580 15.774 3.393 1.00 0.00 C ATOM 158 C ARG A 10 8.839 14.694 2.346 1.00 0.00 C ATOM 159 O ARG A 10 8.195 14.666 1.297 1.00 0.00 O ATOM 160 CB ARG A 10 7.641 15.237 4.475 1.00 0.00 C ATOM 161 CG ARG A 10 8.313 14.273 5.441 1.00 0.00 C ATOM 162 CD ARG A 10 8.135 14.711 6.887 1.00 0.00 C ATOM 163 NE ARG A 10 9.200 14.203 7.747 1.00 0.00 N ATOM 164 CZ ARG A 10 9.503 14.720 8.935 1.00 0.00 C ATOM 165 NH1 ARG A 10 8.825 15.757 9.410 1.00 0.00 N ATOM 166 NH2 ARG A 10 10.490 14.197 9.652 1.00 0.00 N ATOM 0 H ARG A 10 7.071 17.198 3.089 1.00 0.00 H new ATOM 0 HA ARG A 10 9.531 16.047 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.232 16.076 5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.801 14.733 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.895 13.275 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.376 14.207 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.117 15.800 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.172 14.359 7.256 1.00 0.00 H new ATOM 0 HE ARG A 10 9.744 13.405 7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.066 16.163 8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.063 16.148 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.015 13.400 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.724 14.592 10.563 1.00 0.00 H new ATOM 180 N GLN A 11 9.787 13.809 2.636 1.00 0.00 N ATOM 181 CA GLN A 11 10.131 12.729 1.718 1.00 0.00 C ATOM 182 C GLN A 11 9.014 11.693 1.647 1.00 0.00 C ATOM 183 O GLN A 11 8.524 11.220 2.673 1.00 0.00 O ATOM 184 CB GLN A 11 11.441 12.063 2.150 1.00 0.00 C ATOM 185 CG GLN A 11 12.421 11.852 1.008 1.00 0.00 C ATOM 186 CD GLN A 11 12.742 13.138 0.272 1.00 0.00 C ATOM 187 OE1 GLN A 11 13.204 14.110 0.870 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.497 13.151 -1.033 1.00 0.00 N ATOM 0 H GLN A 11 10.331 13.818 3.499 1.00 0.00 H new ATOM 0 HA GLN A 11 10.261 13.158 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.915 12.676 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.216 11.100 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.343 11.422 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.005 11.130 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.114 12.323 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.692 13.989 -1.580 1.00 0.00 H new ATOM 197 N GLN A 12 8.617 11.346 0.427 1.00 0.00 N ATOM 198 CA GLN A 12 7.559 10.366 0.214 1.00 0.00 C ATOM 199 C GLN A 12 8.117 9.090 -0.406 1.00 0.00 C ATOM 200 O GLN A 12 8.494 9.072 -1.577 1.00 0.00 O ATOM 201 CB GLN A 12 6.473 10.952 -0.689 1.00 0.00 C ATOM 202 CG GLN A 12 5.688 12.086 -0.046 1.00 0.00 C ATOM 203 CD GLN A 12 5.243 11.767 1.369 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.393 10.902 1.583 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.814 12.466 2.341 1.00 0.00 N ATOM 0 H GLN A 12 9.013 11.730 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 12 7.125 10.117 1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.934 11.316 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.782 10.159 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.303 12.986 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.812 12.307 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.514 13.173 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.553 12.296 3.312 1.00 0.00 H new ATOM 214 N ARG A 13 8.169 8.022 0.386 1.00 0.00 N ATOM 215 CA ARG A 13 8.685 6.747 -0.096 1.00 0.00 C ATOM 216 C ARG A 13 7.563 5.723 -0.235 1.00 0.00 C ATOM 217 O ARG A 13 6.769 5.527 0.684 1.00 0.00 O ATOM 218 CB ARG A 13 9.767 6.208 0.844 1.00 0.00 C ATOM 219 CG ARG A 13 10.600 7.290 1.514 1.00 0.00 C ATOM 220 CD ARG A 13 11.570 6.700 2.524 1.00 0.00 C ATOM 221 NE ARG A 13 12.835 6.312 1.906 1.00 0.00 N ATOM 222 CZ ARG A 13 13.898 5.897 2.590 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.854 5.816 3.915 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.010 5.562 1.950 1.00 0.00 N ATOM 0 H ARG A 13 7.862 8.015 1.359 1.00 0.00 H new ATOM 0 HA ARG A 13 9.126 6.918 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.294 5.599 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.429 5.551 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.154 7.845 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.942 8.001 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.760 7.428 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.116 5.829 2.997 1.00 0.00 H new ATOM 0 HE ARG A 13 12.908 6.362 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.002 6.073 4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.672 5.497 4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.051 5.622 0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.825 5.244 2.475 1.00 0.00 H new ATOM 238 N PHE A 14 7.511 5.075 -1.391 1.00 0.00 N ATOM 239 CA PHE A 14 6.493 4.066 -1.663 1.00 0.00 C ATOM 240 C PHE A 14 7.147 2.703 -1.848 1.00 0.00 C ATOM 241 O PHE A 14 8.164 2.585 -2.530 1.00 0.00 O ATOM 242 CB PHE A 14 5.693 4.447 -2.914 1.00 0.00 C ATOM 243 CG PHE A 14 5.408 5.921 -3.013 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.426 6.818 -3.299 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.129 6.409 -2.807 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.173 8.174 -3.375 1.00 0.00 C ATOM 247 CE2 PHE A 14 3.869 7.765 -2.886 1.00 0.00 C ATOM 248 CZ PHE A 14 4.893 8.647 -3.169 1.00 0.00 C ATOM 0 H PHE A 14 8.164 5.230 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 14 5.810 4.015 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.244 4.130 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.750 3.901 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.429 6.452 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.325 5.723 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.975 8.863 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.866 8.134 -2.727 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.692 9.706 -3.229 1.00 0.00 H new ATOM 258 N PHE A 15 6.578 1.676 -1.225 1.00 0.00 N ATOM 259 CA PHE A 15 7.146 0.337 -1.324 1.00 0.00 C ATOM 260 C PHE A 15 6.074 -0.737 -1.473 1.00 0.00 C ATOM 261 O PHE A 15 4.927 -0.561 -1.059 1.00 0.00 O ATOM 262 CB PHE A 15 8.000 0.033 -0.091 1.00 0.00 C ATOM 263 CG PHE A 15 8.840 1.191 0.367 1.00 0.00 C ATOM 264 CD1 PHE A 15 10.107 1.398 -0.155 1.00 0.00 C ATOM 265 CD2 PHE A 15 8.361 2.072 1.321 1.00 0.00 C ATOM 266 CE1 PHE A 15 10.880 2.463 0.268 1.00 0.00 C ATOM 267 CE2 PHE A 15 9.127 3.139 1.748 1.00 0.00 C ATOM 268 CZ PHE A 15 10.388 3.335 1.221 1.00 0.00 C ATOM 0 H PHE A 15 5.736 1.743 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 15 7.764 0.319 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.346 -0.274 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.652 -0.812 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.495 0.720 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.375 1.923 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.866 2.613 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.740 3.819 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.989 4.169 1.553 1.00 0.00 H new ATOM 278 N ARG A 16 6.478 -1.860 -2.059 1.00 0.00 N ATOM 279 CA ARG A 16 5.595 -3.000 -2.268 1.00 0.00 C ATOM 280 C ARG A 16 6.408 -4.290 -2.220 1.00 0.00 C ATOM 281 O ARG A 16 7.561 -4.317 -2.652 1.00 0.00 O ATOM 282 CB ARG A 16 4.868 -2.882 -3.610 1.00 0.00 C ATOM 283 CG ARG A 16 3.990 -4.082 -3.937 1.00 0.00 C ATOM 284 CD ARG A 16 4.325 -4.664 -5.302 1.00 0.00 C ATOM 285 NE ARG A 16 5.723 -5.083 -5.388 1.00 0.00 N ATOM 286 CZ ARG A 16 6.187 -5.935 -6.300 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.369 -6.463 -7.203 1.00 0.00 N ATOM 288 NH2 ARG A 16 7.473 -6.259 -6.309 1.00 0.00 N ATOM 0 H ARG A 16 7.428 -2.004 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 16 4.846 -3.016 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.251 -1.983 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.605 -2.755 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.120 -4.848 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.942 -3.784 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.677 -5.518 -5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.120 -3.922 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 16 6.382 -4.700 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.379 -6.216 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.730 -7.115 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.105 -5.856 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.830 -6.912 -7.007 1.00 0.00 H new ATOM 302 N ILE A 17 5.819 -5.353 -1.688 1.00 0.00 N ATOM 303 CA ILE A 17 6.523 -6.627 -1.586 1.00 0.00 C ATOM 304 C ILE A 17 5.636 -7.801 -1.998 1.00 0.00 C ATOM 305 O ILE A 17 4.543 -7.983 -1.459 1.00 0.00 O ATOM 306 CB ILE A 17 7.055 -6.878 -0.154 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.858 -5.639 0.729 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.523 -7.274 -0.200 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.530 -5.738 2.083 1.00 0.00 C ATOM 0 H ILE A 17 4.866 -5.361 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 17 7.367 -6.560 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 17 6.486 -7.697 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.246 -4.766 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.790 -5.475 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.885 -7.448 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.636 -8.186 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.102 -6.473 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.345 -4.825 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.125 -6.591 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.603 -5.870 1.948 1.00 0.00 H new ATOM 321 N PRO A 18 6.105 -8.623 -2.958 1.00 0.00 N ATOM 322 CA PRO A 18 5.368 -9.787 -3.434 1.00 0.00 C ATOM 323 C PRO A 18 5.692 -11.030 -2.617 1.00 0.00 C ATOM 324 O PRO A 18 6.697 -11.697 -2.860 1.00 0.00 O ATOM 325 CB PRO A 18 5.889 -9.938 -4.859 1.00 0.00 C ATOM 326 CG PRO A 18 7.312 -9.489 -4.785 1.00 0.00 C ATOM 327 CD PRO A 18 7.400 -8.489 -3.654 1.00 0.00 C ATOM 0 HA PRO A 18 4.287 -9.668 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.816 -10.970 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.316 -9.329 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.975 -10.335 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.623 -9.036 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.235 -8.710 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.550 -7.476 -4.027 1.00 0.00 H new ATOM 335 N PHE A 19 4.847 -11.338 -1.638 1.00 0.00 N ATOM 336 CA PHE A 19 5.069 -12.502 -0.786 1.00 0.00 C ATOM 337 C PHE A 19 3.920 -13.496 -0.898 1.00 0.00 C ATOM 338 O PHE A 19 2.790 -13.125 -1.216 1.00 0.00 O ATOM 339 CB PHE A 19 5.250 -12.069 0.670 1.00 0.00 C ATOM 340 CG PHE A 19 4.083 -11.306 1.223 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.903 -11.956 1.546 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.166 -9.937 1.421 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.827 -11.256 2.056 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.094 -9.231 1.931 1.00 0.00 C ATOM 345 CZ PHE A 19 1.923 -9.891 2.249 1.00 0.00 C ATOM 0 H PHE A 19 4.008 -10.802 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 19 5.979 -12.996 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.418 -12.954 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.145 -11.452 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.823 -13.023 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.079 -9.416 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.912 -11.774 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.171 -8.164 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.084 -9.341 2.648 1.00 0.00 H new ATOM 355 N ILE A 20 4.222 -14.761 -0.635 1.00 0.00 N ATOM 356 CA ILE A 20 3.222 -15.817 -0.705 1.00 0.00 C ATOM 357 C ILE A 20 2.740 -16.207 0.685 1.00 0.00 C ATOM 358 O ILE A 20 3.529 -16.291 1.627 1.00 0.00 O ATOM 359 CB ILE A 20 3.774 -17.071 -1.410 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.583 -16.671 -2.640 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.640 -18.009 -1.798 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.258 -17.840 -3.326 1.00 0.00 C ATOM 0 H ILE A 20 5.154 -15.081 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 20 2.387 -15.422 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 20 4.431 -17.598 -0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.925 -16.173 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.341 -15.945 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.049 -18.889 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.099 -18.316 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.958 -17.495 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.815 -17.482 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.942 -18.325 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.503 -18.556 -3.651 1.00 0.00 H new ATOM 374 N ARG A 21 1.443 -16.448 0.803 1.00 0.00 N ATOM 375 CA ARG A 21 0.853 -16.836 2.076 1.00 0.00 C ATOM 376 C ARG A 21 1.481 -18.136 2.581 1.00 0.00 C ATOM 377 O ARG A 21 1.641 -19.088 1.820 1.00 0.00 O ATOM 378 CB ARG A 21 -0.660 -16.996 1.932 1.00 0.00 C ATOM 379 CG ARG A 21 -1.453 -16.058 2.824 1.00 0.00 C ATOM 380 CD ARG A 21 -2.931 -16.075 2.475 1.00 0.00 C ATOM 381 NE ARG A 21 -3.648 -17.141 3.172 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.972 -17.190 3.291 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.728 -16.234 2.764 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.543 -18.195 3.940 1.00 0.00 N ATOM 0 H ARG A 21 0.778 -16.382 0.032 1.00 0.00 H new ATOM 0 HA ARG A 21 1.052 -16.050 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.939 -16.820 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.933 -18.025 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.321 -16.347 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.066 -15.044 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.375 -15.113 2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.048 -16.204 1.399 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.101 -17.892 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.294 -15.457 2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.743 -16.276 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.967 -18.931 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.558 -18.232 4.031 1.00 0.00 H new ATOM 398 N PRO A 22 1.855 -18.193 3.872 1.00 0.00 N ATOM 399 CA PRO A 22 2.476 -19.383 4.461 1.00 0.00 C ATOM 400 C PRO A 22 1.658 -20.651 4.244 1.00 0.00 C ATOM 401 O PRO A 22 2.172 -21.665 3.772 1.00 0.00 O ATOM 402 CB PRO A 22 2.553 -19.049 5.953 1.00 0.00 C ATOM 403 CG PRO A 22 2.558 -17.561 6.009 1.00 0.00 C ATOM 404 CD PRO A 22 1.712 -17.101 4.855 1.00 0.00 C ATOM 0 HA PRO A 22 3.443 -19.594 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.703 -19.463 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.453 -19.465 6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.153 -17.205 6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.573 -17.171 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.672 -16.959 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.062 -16.150 4.454 1.00 0.00 H new ATOM 412 N ALA A 23 0.381 -20.591 4.601 1.00 0.00 N ATOM 413 CA ALA A 23 -0.507 -21.737 4.456 1.00 0.00 C ATOM 414 C ALA A 23 -0.491 -22.279 3.035 1.00 0.00 C ATOM 415 O ALA A 23 -0.165 -23.444 2.804 1.00 0.00 O ATOM 416 CB ALA A 23 -1.924 -21.358 4.861 1.00 0.00 C ATOM 0 H ALA A 23 -0.063 -19.760 4.993 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.146 -22.526 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.578 -22.223 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.930 -21.031 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.280 -20.548 4.224 1.00 0.00 H new ATOM 422 N ASP A 24 -0.843 -21.427 2.087 1.00 0.00 N ATOM 423 CA ASP A 24 -0.875 -21.815 0.680 1.00 0.00 C ATOM 424 C ASP A 24 0.536 -22.085 0.157 1.00 0.00 C ATOM 425 O ASP A 24 0.729 -22.882 -0.764 1.00 0.00 O ATOM 426 CB ASP A 24 -1.536 -20.716 -0.155 1.00 0.00 C ATOM 427 CG ASP A 24 -2.948 -20.412 0.303 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.105 -19.807 1.384 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.899 -20.780 -0.419 1.00 0.00 O ATOM 0 H ASP A 24 -1.112 -20.459 2.263 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.458 -22.732 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.935 -19.809 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.554 -21.020 -1.202 1.00 0.00 H new ATOM 434 N GLN A 25 1.513 -21.406 0.753 1.00 0.00 N ATOM 435 CA GLN A 25 2.912 -21.542 0.361 1.00 0.00 C ATOM 436 C GLN A 25 3.356 -23.001 0.362 1.00 0.00 C ATOM 437 O GLN A 25 3.824 -23.518 -0.652 1.00 0.00 O ATOM 438 CB GLN A 25 3.791 -20.705 1.305 1.00 0.00 C ATOM 439 CG GLN A 25 5.176 -21.281 1.563 1.00 0.00 C ATOM 440 CD GLN A 25 6.221 -20.208 1.786 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.934 -20.218 2.790 1.00 0.00 O ATOM 442 NE2 GLN A 25 6.317 -19.272 0.848 1.00 0.00 N ATOM 0 H GLN A 25 1.358 -20.749 1.518 1.00 0.00 H new ATOM 0 HA GLN A 25 3.023 -21.173 -0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.901 -19.705 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.275 -20.596 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.138 -21.932 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.471 -21.900 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.706 -19.303 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.002 -18.522 0.944 1.00 0.00 H new ATOM 451 N TYR A 26 3.216 -23.655 1.505 1.00 0.00 N ATOM 452 CA TYR A 26 3.619 -25.054 1.628 1.00 0.00 C ATOM 453 C TYR A 26 2.495 -25.999 1.218 1.00 0.00 C ATOM 454 O TYR A 26 2.733 -27.177 0.950 1.00 0.00 O ATOM 455 CB TYR A 26 4.082 -25.375 3.053 1.00 0.00 C ATOM 456 CG TYR A 26 3.313 -24.657 4.135 1.00 0.00 C ATOM 457 CD1 TYR A 26 2.006 -25.011 4.436 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.900 -23.628 4.858 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.303 -24.356 5.427 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.206 -22.970 5.852 1.00 0.00 C ATOM 461 CZ TYR A 26 1.907 -23.337 6.133 1.00 0.00 C ATOM 462 OH TYR A 26 1.210 -22.684 7.125 1.00 0.00 O ATOM 0 H TYR A 26 2.830 -23.247 2.356 1.00 0.00 H new ATOM 0 HA TYR A 26 4.457 -25.205 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.998 -26.449 3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.138 -25.121 3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.531 -25.811 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.917 -23.338 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.285 -24.640 5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.677 -22.172 6.407 1.00 0.00 H new ATOM 0 HH TYR A 26 1.779 -21.994 7.525 1.00 0.00 H new ATOM 472 N LYS A 27 1.271 -25.484 1.165 1.00 0.00 N ATOM 473 CA LYS A 27 0.124 -26.297 0.778 1.00 0.00 C ATOM 474 C LYS A 27 0.322 -26.885 -0.614 1.00 0.00 C ATOM 475 O LYS A 27 0.209 -28.094 -0.811 1.00 0.00 O ATOM 476 CB LYS A 27 -1.154 -25.460 0.811 1.00 0.00 C ATOM 477 CG LYS A 27 -1.975 -25.648 2.075 1.00 0.00 C ATOM 478 CD LYS A 27 -2.844 -24.434 2.358 1.00 0.00 C ATOM 479 CE LYS A 27 -4.084 -24.411 1.478 1.00 0.00 C ATOM 480 NZ LYS A 27 -3.745 -24.442 0.028 1.00 0.00 N ATOM 0 H LYS A 27 1.048 -24.513 1.384 1.00 0.00 H new ATOM 0 HA LYS A 27 0.033 -27.116 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.891 -24.407 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.768 -25.717 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.604 -26.532 1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.309 -25.826 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.142 -24.437 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.264 -23.526 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.715 -25.266 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.665 -23.514 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.478 -23.938 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.825 -23.981 -0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.694 -25.429 -0.296 1.00 0.00 H new ATOM 494 N ASP A 28 0.618 -26.018 -1.575 1.00 0.00 N ATOM 495 CA ASP A 28 0.831 -26.452 -2.950 1.00 0.00 C ATOM 496 C ASP A 28 1.622 -25.411 -3.741 1.00 0.00 C ATOM 497 O ASP A 28 1.448 -24.207 -3.546 1.00 0.00 O ATOM 498 CB ASP A 28 -0.511 -26.718 -3.636 1.00 0.00 C ATOM 499 CG ASP A 28 -0.934 -28.169 -3.533 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.062 -29.053 -3.677 1.00 0.00 O ATOM 501 OD2 ASP A 28 -2.136 -28.424 -3.310 1.00 0.00 O ATOM 0 H ASP A 28 0.716 -25.013 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 28 1.410 -27.375 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.277 -26.086 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.441 -26.436 -4.687 1.00 0.00 H new ATOM 506 N PRO A 29 2.504 -25.864 -4.651 1.00 0.00 N ATOM 507 CA PRO A 29 3.322 -24.967 -5.473 1.00 0.00 C ATOM 508 C PRO A 29 2.515 -24.268 -6.566 1.00 0.00 C ATOM 509 O PRO A 29 3.021 -23.375 -7.246 1.00 0.00 O ATOM 510 CB PRO A 29 4.355 -25.904 -6.094 1.00 0.00 C ATOM 511 CG PRO A 29 3.670 -27.220 -6.156 1.00 0.00 C ATOM 512 CD PRO A 29 2.773 -27.282 -4.949 1.00 0.00 C ATOM 0 HA PRO A 29 3.753 -24.159 -4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.654 -25.565 -7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.260 -25.955 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.093 -27.316 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.393 -28.036 -6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.854 -27.830 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.259 -27.783 -4.112 1.00 0.00 H new ATOM 520 N GLN A 30 1.261 -24.677 -6.730 1.00 0.00 N ATOM 521 CA GLN A 30 0.392 -24.089 -7.741 1.00 0.00 C ATOM 522 C GLN A 30 -0.714 -23.263 -7.093 1.00 0.00 C ATOM 523 O GLN A 30 -1.109 -22.218 -7.611 1.00 0.00 O ATOM 524 CB GLN A 30 -0.220 -25.183 -8.618 1.00 0.00 C ATOM 525 CG GLN A 30 -1.098 -26.158 -7.851 1.00 0.00 C ATOM 526 CD GLN A 30 -1.870 -27.090 -8.765 1.00 0.00 C ATOM 527 OE1 GLN A 30 -3.072 -26.922 -8.971 1.00 0.00 O ATOM 528 NE2 GLN A 30 -1.179 -28.079 -9.320 1.00 0.00 N ATOM 0 H GLN A 30 0.825 -25.413 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 30 0.996 -23.430 -8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.812 -24.717 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.582 -25.736 -9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.477 -26.748 -7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.799 -25.600 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.184 -28.180 -9.121 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.644 -28.737 -9.945 1.00 0.00 H new ATOM 537 N ASN A 31 -1.208 -23.738 -5.955 1.00 0.00 N ATOM 538 CA ASN A 31 -2.267 -23.046 -5.233 1.00 0.00 C ATOM 539 C ASN A 31 -1.694 -22.233 -4.076 1.00 0.00 C ATOM 540 O ASN A 31 -2.340 -22.067 -3.041 1.00 0.00 O ATOM 541 CB ASN A 31 -3.295 -24.050 -4.707 1.00 0.00 C ATOM 542 CG ASN A 31 -4.094 -24.698 -5.821 1.00 0.00 C ATOM 543 OD1 ASN A 31 -3.877 -25.861 -6.162 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.026 -23.944 -6.397 1.00 0.00 N ATOM 0 H ASN A 31 -0.891 -24.601 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.759 -22.363 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.783 -24.823 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.976 -23.544 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.595 -24.325 -7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.172 -22.985 -6.083 1.00 0.00 H new ATOM 551 N LYS A 32 -0.478 -21.730 -4.260 1.00 0.00 N ATOM 552 CA LYS A 32 0.182 -20.937 -3.230 1.00 0.00 C ATOM 553 C LYS A 32 -0.429 -19.542 -3.141 1.00 0.00 C ATOM 554 O LYS A 32 -0.446 -18.929 -2.073 1.00 0.00 O ATOM 555 CB LYS A 32 1.680 -20.834 -3.521 1.00 0.00 C ATOM 556 CG LYS A 32 1.995 -20.156 -4.843 1.00 0.00 C ATOM 557 CD LYS A 32 2.759 -21.079 -5.780 1.00 0.00 C ATOM 558 CE LYS A 32 4.214 -20.656 -5.914 1.00 0.00 C ATOM 559 NZ LYS A 32 5.084 -21.788 -6.340 1.00 0.00 N ATOM 0 H LYS A 32 0.069 -21.857 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 32 0.038 -21.437 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.162 -20.281 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.111 -21.835 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.067 -19.840 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.582 -19.256 -4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.709 -22.102 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.286 -21.075 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.291 -19.846 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.568 -20.265 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.752 -21.458 -7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.613 -22.147 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.495 -22.550 -6.732 1.00 0.00 H new ATOM 573 N LYS A 33 -0.930 -19.046 -4.266 1.00 0.00 N ATOM 574 CA LYS A 33 -1.544 -17.724 -4.313 1.00 0.00 C ATOM 575 C LYS A 33 -0.560 -16.648 -3.861 1.00 0.00 C ATOM 576 O LYS A 33 -0.337 -16.460 -2.665 1.00 0.00 O ATOM 577 CB LYS A 33 -2.796 -17.689 -3.432 1.00 0.00 C ATOM 578 CG LYS A 33 -3.791 -18.793 -3.748 1.00 0.00 C ATOM 579 CD LYS A 33 -4.400 -18.616 -5.129 1.00 0.00 C ATOM 580 CE LYS A 33 -4.851 -19.943 -5.713 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.169 -19.834 -7.164 1.00 0.00 N ATOM 0 H LYS A 33 -0.923 -19.539 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.827 -17.520 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.497 -17.768 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.287 -16.723 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.293 -19.761 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.582 -18.797 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.250 -17.936 -5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.670 -18.154 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.068 -20.688 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.730 -20.296 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.473 -20.761 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.934 -19.142 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.323 -19.522 -7.682 1.00 0.00 H new ATOM 595 N LYS A 34 0.025 -15.947 -4.827 1.00 0.00 N ATOM 596 CA LYS A 34 0.985 -14.889 -4.530 1.00 0.00 C ATOM 597 C LYS A 34 0.272 -13.569 -4.251 1.00 0.00 C ATOM 598 O LYS A 34 -0.447 -13.048 -5.103 1.00 0.00 O ATOM 599 CB LYS A 34 1.961 -14.722 -5.696 1.00 0.00 C ATOM 600 CG LYS A 34 2.963 -15.862 -5.819 1.00 0.00 C ATOM 601 CD LYS A 34 4.387 -15.354 -5.998 1.00 0.00 C ATOM 602 CE LYS A 34 4.780 -14.364 -4.910 1.00 0.00 C ATOM 603 NZ LYS A 34 6.129 -14.655 -4.351 1.00 0.00 N ATOM 0 H LYS A 34 -0.149 -16.092 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 34 1.541 -15.173 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.395 -14.645 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.503 -13.784 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.911 -16.488 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.693 -16.491 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.077 -16.198 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.482 -14.877 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.767 -13.353 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.042 -14.394 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.126 -14.478 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.372 -15.650 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.833 -14.040 -4.806 1.00 0.00 H new ATOM 617 N GLY A 35 0.472 -13.034 -3.049 1.00 0.00 N ATOM 618 CA GLY A 35 -0.162 -11.783 -2.680 1.00 0.00 C ATOM 619 C GLY A 35 0.803 -10.615 -2.664 1.00 0.00 C ATOM 620 O GLY A 35 1.967 -10.762 -2.286 1.00 0.00 O ATOM 0 H GLY A 35 1.062 -13.445 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.970 -11.571 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.614 -11.888 -1.694 1.00 0.00 H new ATOM 624 N TRP A 36 0.315 -9.448 -3.075 1.00 0.00 N ATOM 625 CA TRP A 36 1.132 -8.241 -3.107 1.00 0.00 C ATOM 626 C TRP A 36 0.700 -7.262 -2.019 1.00 0.00 C ATOM 627 O TRP A 36 -0.491 -7.056 -1.794 1.00 0.00 O ATOM 628 CB TRP A 36 1.030 -7.566 -4.475 1.00 0.00 C ATOM 629 CG TRP A 36 1.607 -8.383 -5.586 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.925 -8.667 -5.793 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.886 -9.021 -6.646 1.00 0.00 C ATOM 632 NE1 TRP A 36 3.069 -9.447 -6.915 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.831 -9.677 -7.457 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.468 -9.103 -6.986 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.465 -10.404 -8.587 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -0.829 -9.824 -8.109 1.00 0.00 C ATOM 637 CH2 TRP A 36 0.133 -10.468 -8.896 1.00 0.00 C ATOM 0 H TRP A 36 -0.645 -9.314 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 36 2.167 -8.531 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.018 -7.359 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.543 -6.605 -4.437 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.737 -8.328 -5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.953 -9.798 -7.284 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.217 -8.612 -6.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.205 -10.899 -9.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.871 -9.892 -8.384 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.182 -11.027 -9.765 1.00 0.00 H new ATOM 648 N TRP A 37 1.678 -6.664 -1.350 1.00 0.00 N ATOM 649 CA TRP A 37 1.397 -5.705 -0.287 1.00 0.00 C ATOM 650 C TRP A 37 1.974 -4.336 -0.636 1.00 0.00 C ATOM 651 O TRP A 37 3.186 -4.182 -0.772 1.00 0.00 O ATOM 652 CB TRP A 37 1.987 -6.209 1.033 1.00 0.00 C ATOM 653 CG TRP A 37 1.674 -5.342 2.214 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.444 -5.096 2.752 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.613 -4.613 3.010 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.562 -4.258 3.837 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.885 -3.948 4.016 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.000 -4.460 2.969 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.502 -3.143 4.972 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.610 -3.663 3.917 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.863 -3.015 4.906 1.00 0.00 C ATOM 0 H TRP A 37 2.670 -6.825 -1.523 1.00 0.00 H new ATOM 0 HA TRP A 37 0.317 -5.604 -0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.613 -7.215 1.225 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.069 -6.286 0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.486 -5.500 2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.209 -3.922 4.414 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.585 -4.956 2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.928 -2.639 5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.682 -3.538 3.894 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.371 -2.400 5.634 1.00 0.00 H new ATOM 672 N TYR A 38 1.096 -3.344 -0.777 1.00 0.00 N ATOM 673 CA TYR A 38 1.525 -1.988 -1.111 1.00 0.00 C ATOM 674 C TYR A 38 1.296 -1.044 0.063 1.00 0.00 C ATOM 675 O TYR A 38 0.370 -1.231 0.851 1.00 0.00 O ATOM 676 CB TYR A 38 0.768 -1.466 -2.335 1.00 0.00 C ATOM 677 CG TYR A 38 0.992 -2.274 -3.593 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.455 -3.546 -3.728 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.731 -1.757 -4.651 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.649 -4.284 -4.881 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.931 -2.490 -5.807 1.00 0.00 C ATOM 682 CZ TYR A 38 1.387 -3.751 -5.916 1.00 0.00 C ATOM 683 OH TYR A 38 1.582 -4.483 -7.064 1.00 0.00 O ATOM 0 H TYR A 38 0.088 -3.453 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 38 2.591 -2.025 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.298 -1.453 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.068 -0.435 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.124 -3.967 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.156 -0.767 -4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.224 -5.273 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.510 -2.076 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 38 2.122 -3.964 -7.695 1.00 0.00 H new ATOM 693 N ALA A 39 2.146 -0.029 0.174 1.00 0.00 N ATOM 694 CA ALA A 39 2.029 0.944 1.252 1.00 0.00 C ATOM 695 C ALA A 39 2.960 2.129 1.031 1.00 0.00 C ATOM 696 O ALA A 39 4.172 1.966 0.876 1.00 0.00 O ATOM 697 CB ALA A 39 2.317 0.279 2.589 1.00 0.00 C ATOM 0 H ALA A 39 2.921 0.140 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 39 1.007 1.323 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.227 1.015 3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.603 -0.527 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.328 -0.128 2.583 1.00 0.00 H new ATOM 703 N HIS A 40 2.381 3.324 1.033 1.00 0.00 N ATOM 704 CA HIS A 40 3.147 4.547 0.848 1.00 0.00 C ATOM 705 C HIS A 40 3.501 5.141 2.206 1.00 0.00 C ATOM 706 O HIS A 40 2.652 5.735 2.873 1.00 0.00 O ATOM 707 CB HIS A 40 2.347 5.557 0.016 1.00 0.00 C ATOM 708 CG HIS A 40 2.938 6.935 -0.004 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.260 8.037 -0.480 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.144 7.390 0.408 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.023 9.107 -0.358 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.174 8.743 0.178 1.00 0.00 N ATOM 0 H HIS A 40 1.380 3.470 1.161 1.00 0.00 H new ATOM 0 HA HIS A 40 4.067 4.313 0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.272 5.190 -1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.332 5.614 0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.937 6.797 0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.752 10.111 -0.648 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.956 9.364 0.386 1.00 0.00 H new ATOM 721 N PHE A 41 4.755 4.970 2.612 1.00 0.00 N ATOM 722 CA PHE A 41 5.207 5.486 3.897 1.00 0.00 C ATOM 723 C PHE A 41 5.737 6.911 3.763 1.00 0.00 C ATOM 724 O PHE A 41 6.599 7.190 2.925 1.00 0.00 O ATOM 725 CB PHE A 41 6.299 4.596 4.501 1.00 0.00 C ATOM 726 CG PHE A 41 5.929 3.147 4.655 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.713 2.344 3.548 1.00 0.00 C ATOM 728 CD2 PHE A 41 5.816 2.584 5.917 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.389 1.009 3.697 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.490 1.253 6.073 1.00 0.00 C ATOM 731 CZ PHE A 41 5.277 0.462 4.961 1.00 0.00 C ATOM 0 H PHE A 41 5.471 4.482 2.074 1.00 0.00 H new ATOM 0 HA PHE A 41 4.343 5.487 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.188 4.663 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.568 4.992 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.799 2.766 2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.986 3.196 6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.223 0.393 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.401 0.830 7.063 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.024 -0.581 5.079 1.00 0.00 H new ATOM 741 N ASP A 42 5.236 7.801 4.611 1.00 0.00 N ATOM 742 CA ASP A 42 5.675 9.190 4.613 1.00 0.00 C ATOM 743 C ASP A 42 6.742 9.376 5.682 1.00 0.00 C ATOM 744 O ASP A 42 6.470 9.216 6.875 1.00 0.00 O ATOM 745 CB ASP A 42 4.494 10.128 4.872 1.00 0.00 C ATOM 746 CG ASP A 42 3.834 9.870 6.211 1.00 0.00 C ATOM 747 OD1 ASP A 42 3.074 8.885 6.319 1.00 0.00 O ATOM 748 OD2 ASP A 42 4.074 10.656 7.152 1.00 0.00 O ATOM 0 H ASP A 42 4.523 7.584 5.308 1.00 0.00 H new ATOM 0 HA ASP A 42 6.092 9.435 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.839 11.161 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.757 10.008 4.078 1.00 0.00 H new ATOM 753 N GLY A 43 7.961 9.682 5.257 1.00 0.00 N ATOM 754 CA GLY A 43 9.041 9.844 6.209 1.00 0.00 C ATOM 755 C GLY A 43 9.239 8.583 7.031 1.00 0.00 C ATOM 756 O GLY A 43 9.193 7.479 6.488 1.00 0.00 O ATOM 0 H GLY A 43 8.219 9.820 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.963 10.085 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.824 10.683 6.871 1.00 0.00 H new ATOM 760 N PRO A 44 9.452 8.706 8.348 1.00 0.00 N ATOM 761 CA PRO A 44 9.644 7.550 9.225 1.00 0.00 C ATOM 762 C PRO A 44 8.351 6.764 9.446 1.00 0.00 C ATOM 763 O PRO A 44 8.377 5.629 9.917 1.00 0.00 O ATOM 764 CB PRO A 44 10.120 8.169 10.552 1.00 0.00 C ATOM 765 CG PRO A 44 10.401 9.606 10.253 1.00 0.00 C ATOM 766 CD PRO A 44 9.521 9.968 9.094 1.00 0.00 C ATOM 0 HA PRO A 44 10.347 6.836 8.796 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.357 8.072 11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.013 7.664 10.921 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.185 10.234 11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.452 9.755 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.536 10.302 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.948 10.772 8.495 1.00 0.00 H new ATOM 774 N TRP A 45 7.218 7.387 9.127 1.00 0.00 N ATOM 775 CA TRP A 45 5.916 6.761 9.318 1.00 0.00 C ATOM 776 C TRP A 45 5.208 6.509 7.990 1.00 0.00 C ATOM 777 O TRP A 45 5.794 6.676 6.919 1.00 0.00 O ATOM 778 CB TRP A 45 5.066 7.653 10.216 1.00 0.00 C ATOM 779 CG TRP A 45 5.899 8.447 11.173 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.612 9.579 10.902 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.135 8.144 12.545 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.267 10.003 12.032 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.987 9.139 13.058 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.701 7.130 13.390 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.411 9.144 14.384 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.120 7.130 14.707 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.968 8.135 15.193 1.00 0.00 C ATOM 0 H TRP A 45 7.178 8.327 8.734 1.00 0.00 H new ATOM 0 HA TRP A 45 6.062 5.789 9.790 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.477 8.332 9.599 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.361 7.037 10.774 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.655 10.069 9.941 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.865 10.827 12.097 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.046 6.354 13.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.066 9.916 14.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.790 6.345 15.371 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.278 8.112 16.227 1.00 0.00 H new ATOM 798 N ILE A 46 3.945 6.098 8.066 1.00 0.00 N ATOM 799 CA ILE A 46 3.164 5.812 6.868 1.00 0.00 C ATOM 800 C ILE A 46 1.796 6.486 6.907 1.00 0.00 C ATOM 801 O ILE A 46 1.257 6.766 7.978 1.00 0.00 O ATOM 802 CB ILE A 46 2.988 4.293 6.675 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.083 3.986 5.478 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.433 3.657 7.934 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.855 2.506 5.265 1.00 0.00 C ATOM 0 H ILE A 46 3.443 5.956 8.942 1.00 0.00 H new ATOM 0 HA ILE A 46 3.720 6.219 6.023 1.00 0.00 H new ATOM 0 HB ILE A 46 3.970 3.867 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.121 4.478 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.526 4.412 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.316 2.585 7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.120 3.831 8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.464 4.098 8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.206 2.358 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.811 2.012 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.384 2.079 6.150 1.00 0.00 H new ATOM 817 N ALA A 47 1.246 6.751 5.723 1.00 0.00 N ATOM 818 CA ALA A 47 -0.054 7.402 5.614 1.00 0.00 C ATOM 819 C ALA A 47 -0.982 6.686 4.629 1.00 0.00 C ATOM 820 O ALA A 47 -2.199 6.862 4.688 1.00 0.00 O ATOM 821 CB ALA A 47 0.124 8.855 5.205 1.00 0.00 C ATOM 0 H ALA A 47 1.681 6.525 4.829 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.526 7.353 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.852 9.333 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.722 9.373 5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.630 8.902 4.241 1.00 0.00 H new ATOM 827 N ARG A 48 -0.419 5.888 3.720 1.00 0.00 N ATOM 828 CA ARG A 48 -1.234 5.176 2.740 1.00 0.00 C ATOM 829 C ARG A 48 -0.889 3.691 2.716 1.00 0.00 C ATOM 830 O ARG A 48 0.283 3.317 2.739 1.00 0.00 O ATOM 831 CB ARG A 48 -1.040 5.784 1.348 1.00 0.00 C ATOM 832 CG ARG A 48 -2.240 6.579 0.861 1.00 0.00 C ATOM 833 CD ARG A 48 -2.100 6.952 -0.607 1.00 0.00 C ATOM 834 NE ARG A 48 -1.092 7.990 -0.811 1.00 0.00 N ATOM 835 CZ ARG A 48 -1.032 8.764 -1.893 1.00 0.00 C ATOM 836 NH1 ARG A 48 -1.914 8.617 -2.873 1.00 0.00 N ATOM 837 NH2 ARG A 48 -0.087 9.688 -1.995 1.00 0.00 N ATOM 0 H ARG A 48 0.584 5.721 3.643 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.279 5.278 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.165 6.434 1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.831 4.985 0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.148 5.994 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.346 7.484 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.831 6.066 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.061 7.299 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.393 8.130 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.644 7.908 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.863 9.213 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.594 9.806 -1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.041 10.281 -2.824 1.00 0.00 H new ATOM 851 N GLN A 49 -1.917 2.850 2.670 1.00 0.00 N ATOM 852 CA GLN A 49 -1.717 1.407 2.644 1.00 0.00 C ATOM 853 C GLN A 49 -2.712 0.732 1.706 1.00 0.00 C ATOM 854 O GLN A 49 -3.924 0.867 1.866 1.00 0.00 O ATOM 855 CB GLN A 49 -1.847 0.827 4.055 1.00 0.00 C ATOM 856 CG GLN A 49 -0.606 0.086 4.524 1.00 0.00 C ATOM 857 CD GLN A 49 -0.773 -1.421 4.466 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.398 -2.134 5.398 1.00 0.00 O ATOM 859 NE2 GLN A 49 -1.337 -1.913 3.370 1.00 0.00 N ATOM 0 H GLN A 49 -2.894 3.142 2.650 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.711 1.213 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.063 1.636 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.698 0.147 4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.243 0.378 3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.374 0.384 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.633 -1.285 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.475 -2.919 3.275 1.00 0.00 H new ATOM 868 N MET A 50 -2.188 -0.002 0.728 1.00 0.00 N ATOM 869 CA MET A 50 -3.027 -0.705 -0.234 1.00 0.00 C ATOM 870 C MET A 50 -2.680 -2.191 -0.268 1.00 0.00 C ATOM 871 O MET A 50 -1.591 -2.574 -0.695 1.00 0.00 O ATOM 872 CB MET A 50 -2.863 -0.098 -1.629 1.00 0.00 C ATOM 873 CG MET A 50 -3.819 -0.677 -2.659 1.00 0.00 C ATOM 874 SD MET A 50 -3.031 -0.974 -4.254 1.00 0.00 S ATOM 875 CE MET A 50 -2.369 0.652 -4.610 1.00 0.00 C ATOM 0 H MET A 50 -1.186 -0.124 0.582 1.00 0.00 H new ATOM 0 HA MET A 50 -4.066 -0.597 0.078 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.016 0.979 -1.568 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.839 -0.255 -1.967 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.229 -1.614 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.657 0.006 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.364 0.554 -5.021 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.009 1.155 -5.335 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.330 1.238 -3.692 1.00 0.00 H new ATOM 885 N GLU A 51 -3.611 -3.021 0.188 1.00 0.00 N ATOM 886 CA GLU A 51 -3.401 -4.465 0.214 1.00 0.00 C ATOM 887 C GLU A 51 -3.988 -5.128 -1.029 1.00 0.00 C ATOM 888 O GLU A 51 -5.122 -4.847 -1.415 1.00 0.00 O ATOM 889 CB GLU A 51 -4.031 -5.067 1.473 1.00 0.00 C ATOM 890 CG GLU A 51 -3.088 -5.957 2.267 1.00 0.00 C ATOM 891 CD GLU A 51 -2.649 -5.332 3.579 1.00 0.00 C ATOM 892 OE1 GLU A 51 -3.224 -4.292 3.966 1.00 0.00 O ATOM 893 OE2 GLU A 51 -1.730 -5.883 4.220 1.00 0.00 O ATOM 0 H GLU A 51 -4.518 -2.720 0.545 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.327 -4.650 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.379 -4.258 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.908 -5.647 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.580 -6.908 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.208 -6.176 1.662 1.00 0.00 H new ATOM 900 N LEU A 52 -3.210 -6.012 -1.649 1.00 0.00 N ATOM 901 CA LEU A 52 -3.653 -6.721 -2.846 1.00 0.00 C ATOM 902 C LEU A 52 -3.308 -8.204 -2.754 1.00 0.00 C ATOM 903 O LEU A 52 -2.140 -8.583 -2.841 1.00 0.00 O ATOM 904 CB LEU A 52 -3.006 -6.117 -4.094 1.00 0.00 C ATOM 905 CG LEU A 52 -3.388 -4.665 -4.387 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.369 -4.021 -5.317 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.784 -4.592 -4.989 1.00 0.00 C ATOM 0 H LEU A 52 -2.268 -6.254 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.736 -6.617 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.923 -6.177 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.276 -6.728 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.390 -4.113 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.658 -2.989 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.385 -4.040 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.333 -4.573 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.039 -3.552 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.809 -5.159 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.505 -5.013 -4.288 1.00 0.00 H new ATOM 919 N HIS A 53 -4.324 -9.042 -2.575 1.00 0.00 N ATOM 920 CA HIS A 53 -4.110 -10.483 -2.470 1.00 0.00 C ATOM 921 C HIS A 53 -5.016 -11.245 -3.438 1.00 0.00 C ATOM 922 O HIS A 53 -6.203 -10.947 -3.553 1.00 0.00 O ATOM 923 CB HIS A 53 -4.367 -10.952 -1.037 1.00 0.00 C ATOM 924 CG HIS A 53 -3.117 -11.168 -0.244 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.491 -12.392 -0.141 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.372 -10.307 0.491 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.419 -12.276 0.621 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.325 -11.021 1.017 1.00 0.00 N ATOM 0 H HIS A 53 -5.299 -8.751 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.073 -10.691 -2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.987 -10.214 -0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.935 -11.882 -1.064 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.566 -9.255 0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.736 -13.072 0.877 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.592 -10.643 1.617 1.00 0.00 H new ATOM 937 N PRO A 54 -4.468 -12.250 -4.144 1.00 0.00 N ATOM 938 CA PRO A 54 -5.237 -13.055 -5.095 1.00 0.00 C ATOM 939 C PRO A 54 -6.482 -13.663 -4.459 1.00 0.00 C ATOM 940 O PRO A 54 -7.449 -13.990 -5.149 1.00 0.00 O ATOM 941 CB PRO A 54 -4.261 -14.159 -5.526 1.00 0.00 C ATOM 942 CG PRO A 54 -3.147 -14.110 -4.539 1.00 0.00 C ATOM 943 CD PRO A 54 -3.068 -12.687 -4.070 1.00 0.00 C ATOM 0 HA PRO A 54 -5.602 -12.453 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.746 -15.135 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.896 -13.988 -6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.336 -14.785 -3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.208 -14.422 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.673 -12.615 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.421 -12.085 -4.708 1.00 0.00 H new ATOM 951 N ASP A 55 -6.453 -13.809 -3.138 1.00 0.00 N ATOM 952 CA ASP A 55 -7.578 -14.375 -2.406 1.00 0.00 C ATOM 953 C ASP A 55 -8.359 -13.286 -1.673 1.00 0.00 C ATOM 954 O ASP A 55 -9.529 -13.471 -1.335 1.00 0.00 O ATOM 955 CB ASP A 55 -7.087 -15.423 -1.406 1.00 0.00 C ATOM 956 CG ASP A 55 -5.912 -14.933 -0.583 1.00 0.00 C ATOM 957 OD1 ASP A 55 -4.832 -14.705 -1.166 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.073 -14.776 0.646 1.00 0.00 O ATOM 0 H ASP A 55 -5.661 -13.542 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.243 -14.851 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.905 -15.696 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.799 -16.327 -1.943 1.00 0.00 H new ATOM 963 N LYS A 56 -7.710 -12.150 -1.431 1.00 0.00 N ATOM 964 CA LYS A 56 -8.350 -11.038 -0.740 1.00 0.00 C ATOM 965 C LYS A 56 -8.392 -9.797 -1.633 1.00 0.00 C ATOM 966 O LYS A 56 -7.358 -9.348 -2.130 1.00 0.00 O ATOM 967 CB LYS A 56 -7.610 -10.719 0.563 1.00 0.00 C ATOM 968 CG LYS A 56 -7.211 -11.954 1.355 1.00 0.00 C ATOM 969 CD LYS A 56 -8.431 -12.723 1.838 1.00 0.00 C ATOM 970 CE LYS A 56 -8.771 -12.380 3.279 1.00 0.00 C ATOM 971 NZ LYS A 56 -8.206 -13.372 4.235 1.00 0.00 N ATOM 0 H LYS A 56 -6.742 -11.977 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.373 -11.331 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.715 -10.142 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.244 -10.088 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.593 -12.602 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.603 -11.659 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.283 -12.495 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.245 -13.794 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.387 -11.388 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.854 -12.339 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.460 -13.102 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.592 -14.315 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.170 -13.393 4.142 1.00 0.00 H new ATOM 985 N PRO A 57 -9.590 -9.222 -1.847 1.00 0.00 N ATOM 986 CA PRO A 57 -9.753 -8.031 -2.685 1.00 0.00 C ATOM 987 C PRO A 57 -8.824 -6.896 -2.267 1.00 0.00 C ATOM 988 O PRO A 57 -8.214 -6.943 -1.199 1.00 0.00 O ATOM 989 CB PRO A 57 -11.222 -7.625 -2.482 1.00 0.00 C ATOM 990 CG PRO A 57 -11.698 -8.420 -1.311 1.00 0.00 C ATOM 991 CD PRO A 57 -10.875 -9.674 -1.296 1.00 0.00 C ATOM 0 HA PRO A 57 -9.503 -8.239 -3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.311 -6.555 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.815 -7.841 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.573 -7.861 -0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.759 -8.652 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.765 -10.075 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.323 -10.460 -1.904 1.00 0.00 H new ATOM 999 N PRO A 58 -8.700 -5.857 -3.110 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.837 -4.707 -2.828 1.00 0.00 C ATOM 1001 C PRO A 58 -8.246 -3.973 -1.555 1.00 0.00 C ATOM 1002 O PRO A 58 -9.035 -3.029 -1.596 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.020 -3.801 -4.052 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.290 -4.253 -4.685 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.389 -5.724 -4.404 1.00 0.00 C ATOM 0 HA PRO A 58 -6.803 -5.011 -2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.077 -2.752 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.181 -3.896 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.145 -3.718 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.282 -4.060 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.426 -6.056 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.908 -6.317 -5.181 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.702 -4.414 -0.425 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.007 -3.798 0.860 1.00 0.00 C ATOM 1015 C ILE A 59 -7.499 -2.359 0.906 1.00 0.00 C ATOM 1016 O ILE A 59 -6.298 -2.116 1.022 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.383 -4.594 2.022 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.852 -6.049 1.981 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.730 -3.959 3.361 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.031 -6.972 2.854 1.00 0.00 C ATOM 0 H ILE A 59 -7.048 -5.195 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.091 -3.802 0.971 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.299 -4.574 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.894 -6.096 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.814 -6.406 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.279 -4.538 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.348 -2.939 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.813 -3.945 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.420 -7.987 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.992 -6.955 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.089 -6.640 3.890 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.424 -1.412 0.812 1.00 0.00 N ATOM 1033 CA LEU A 60 -8.078 0.005 0.840 1.00 0.00 C ATOM 1034 C LEU A 60 -7.896 0.496 2.274 1.00 0.00 C ATOM 1035 O LEU A 60 -8.804 0.383 3.097 1.00 0.00 O ATOM 1036 CB LEU A 60 -9.168 0.824 0.135 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.787 1.406 -1.234 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.846 0.478 -1.991 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -10.038 1.672 -2.059 1.00 0.00 C ATOM 0 H LEU A 60 -9.422 -1.599 0.715 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.133 0.138 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.046 0.191 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.459 1.646 0.790 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.264 2.347 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.597 0.920 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.934 0.333 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.333 -0.484 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.754 2.084 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.581 0.739 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.675 2.384 -1.534 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.718 1.039 2.563 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.416 1.547 3.897 1.00 0.00 C ATOM 1053 C LEU A 61 -5.739 2.912 3.820 1.00 0.00 C ATOM 1054 O LEU A 61 -5.051 3.222 2.846 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.517 0.565 4.650 1.00 0.00 C ATOM 1056 CG LEU A 61 -6.103 -0.835 4.844 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.103 -1.734 5.552 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.405 -0.763 5.625 1.00 0.00 C ATOM 0 H LEU A 61 -5.957 1.139 1.892 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.357 1.656 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.573 0.475 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.287 0.985 5.629 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.315 -1.261 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.535 -2.726 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.195 -1.809 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.862 -1.312 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.808 -1.768 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.219 -0.319 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.123 -0.151 5.079 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.939 3.723 4.854 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.349 5.056 4.905 1.00 0.00 C ATOM 1072 C VAL A 62 -5.171 5.522 6.346 1.00 0.00 C ATOM 1073 O VAL A 62 -5.957 5.166 7.225 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.212 6.081 4.142 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.586 6.210 4.783 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.513 7.430 4.081 1.00 0.00 C ATOM 0 H VAL A 62 -6.505 3.481 5.667 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.372 4.991 4.426 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.348 5.723 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.179 6.938 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.089 5.243 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.476 6.542 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.138 8.139 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.342 7.797 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.558 7.322 3.568 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.135 6.319 6.583 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.855 6.832 7.919 1.00 0.00 C ATOM 1088 C ALA A 63 -5.020 7.670 8.437 1.00 0.00 C ATOM 1089 O ALA A 63 -5.630 8.432 7.688 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.574 7.652 7.915 1.00 0.00 C ATOM 0 H ALA A 63 -3.475 6.624 5.867 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.724 5.981 8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.379 8.028 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.742 7.025 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.682 8.492 7.228 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.326 7.519 9.722 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.419 8.266 10.316 1.00 0.00 C ATOM 1098 C GLY A 64 -7.697 7.455 10.394 1.00 0.00 C ATOM 1099 O GLY A 64 -8.360 7.424 11.430 1.00 0.00 O ATOM 0 H GLY A 64 -4.837 6.893 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.134 8.587 11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.599 9.168 9.731 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.040 6.795 9.293 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.244 5.975 9.236 1.00 0.00 C ATOM 1105 C LYS A 65 -8.929 4.529 9.604 1.00 0.00 C ATOM 1106 O LYS A 65 -9.527 3.966 10.520 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.863 6.037 7.838 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.243 6.673 7.811 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.225 5.919 8.696 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.411 5.397 7.899 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.270 3.953 7.571 1.00 0.00 N ATOM 0 H LYS A 65 -7.501 6.812 8.427 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.960 6.368 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.200 6.600 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.930 5.027 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.173 7.709 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.616 6.692 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.715 5.085 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.580 6.577 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.327 5.551 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.509 5.970 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.148 3.609 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.479 3.823 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.084 3.416 8.442 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.983 3.937 8.883 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.581 2.559 9.131 1.00 0.00 C ATOM 1127 C ASP A 66 -6.181 2.504 9.734 1.00 0.00 C ATOM 1128 O ASP A 66 -5.392 1.612 9.417 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.627 1.753 7.830 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.930 0.995 7.666 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.251 0.171 8.548 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.627 1.226 6.657 1.00 0.00 O ATOM 0 H ASP A 66 -7.480 4.392 8.121 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.279 2.121 9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.492 2.426 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.795 1.049 7.812 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.880 3.463 10.604 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.575 3.528 11.254 1.00 0.00 C ATOM 1139 C ASP A 67 -4.242 2.210 11.948 1.00 0.00 C ATOM 1140 O ASP A 67 -3.074 1.849 12.089 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.546 4.674 12.268 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.221 5.410 12.272 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.169 4.738 12.338 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.235 6.657 12.206 1.00 0.00 O ATOM 0 H ASP A 67 -6.523 4.207 10.876 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.824 3.710 10.486 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.348 5.377 12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.742 4.278 13.265 1.00 0.00 H new ATOM 1149 N MET A 68 -5.276 1.495 12.379 1.00 0.00 N ATOM 1150 CA MET A 68 -5.091 0.217 13.057 1.00 0.00 C ATOM 1151 C MET A 68 -4.917 -0.913 12.047 1.00 0.00 C ATOM 1152 O MET A 68 -4.253 -1.912 12.327 1.00 0.00 O ATOM 1153 CB MET A 68 -6.285 -0.079 13.968 1.00 0.00 C ATOM 1154 CG MET A 68 -7.618 -0.094 13.238 1.00 0.00 C ATOM 1155 SD MET A 68 -8.694 -1.434 13.784 1.00 0.00 S ATOM 1156 CE MET A 68 -7.644 -2.853 13.488 1.00 0.00 C ATOM 0 H MET A 68 -6.250 1.778 12.271 1.00 0.00 H new ATOM 0 HA MET A 68 -4.187 0.283 13.663 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.133 -1.045 14.450 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.322 0.670 14.759 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.124 0.859 13.393 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.440 -0.190 12.167 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.262 -3.739 13.343 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.042 -2.680 12.596 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.988 -3.005 14.345 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.516 -0.750 10.871 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.424 -1.758 9.821 1.00 0.00 C ATOM 1168 C GLU A 69 -4.071 -1.690 9.117 1.00 0.00 C ATOM 1169 O GLU A 69 -3.387 -2.703 8.975 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.555 -1.573 8.806 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.670 -2.598 8.945 1.00 0.00 C ATOM 1172 CD GLU A 69 -7.461 -3.807 8.056 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -7.381 -3.633 6.823 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -7.380 -4.933 8.596 1.00 0.00 O ATOM 0 H GLU A 69 -6.070 0.070 10.622 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.521 -2.740 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.975 -0.574 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.142 -1.632 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.734 -2.922 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.623 -2.130 8.698 1.00 0.00 H new ATOM 1181 N MET A 70 -3.691 -0.492 8.677 1.00 0.00 N ATOM 1182 CA MET A 70 -2.418 -0.297 7.989 1.00 0.00 C ATOM 1183 C MET A 70 -1.266 -0.914 8.776 1.00 0.00 C ATOM 1184 O MET A 70 -1.457 -1.420 9.882 1.00 0.00 O ATOM 1185 CB MET A 70 -2.156 1.191 7.768 1.00 0.00 C ATOM 1186 CG MET A 70 -2.193 2.016 9.043 1.00 0.00 C ATOM 1187 SD MET A 70 -1.783 3.751 8.760 1.00 0.00 S ATOM 1188 CE MET A 70 -2.450 3.998 7.115 1.00 0.00 C ATOM 0 H MET A 70 -4.246 0.357 8.785 1.00 0.00 H new ATOM 0 HA MET A 70 -2.481 -0.798 7.023 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.181 1.313 7.296 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.898 1.582 7.072 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.187 1.949 9.486 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.493 1.594 9.765 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.369 5.051 6.844 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.889 3.395 6.401 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.498 3.699 7.099 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.069 -0.869 8.198 1.00 0.00 N ATOM 1199 CA CYS A 71 1.110 -1.427 8.847 1.00 0.00 C ATOM 1200 C CYS A 71 1.312 -0.820 10.232 1.00 0.00 C ATOM 1201 O CYS A 71 1.516 -1.539 11.211 1.00 0.00 O ATOM 1202 CB CYS A 71 2.355 -1.192 7.993 1.00 0.00 C ATOM 1203 SG CYS A 71 3.575 -2.519 8.107 1.00 0.00 S ATOM 0 H CYS A 71 0.108 -0.453 7.284 1.00 0.00 H new ATOM 0 HA CYS A 71 0.952 -2.500 8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.054 -1.076 6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.821 -0.255 8.297 1.00 0.00 H new ATOM 0 HG CYS A 71 3.619 -3.166 6.980 1.00 0.00 H new ATOM 1209 N GLU A 72 1.261 0.511 10.302 1.00 0.00 N ATOM 1210 CA GLU A 72 1.440 1.241 11.563 1.00 0.00 C ATOM 1211 C GLU A 72 2.919 1.443 11.883 1.00 0.00 C ATOM 1212 O GLU A 72 3.322 2.509 12.350 1.00 0.00 O ATOM 1213 CB GLU A 72 0.748 0.515 12.722 1.00 0.00 C ATOM 1214 CG GLU A 72 0.436 1.417 13.906 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.482 0.756 14.915 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.607 0.370 14.532 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -0.076 0.626 16.088 1.00 0.00 O ATOM 0 H GLU A 72 1.096 1.112 9.494 1.00 0.00 H new ATOM 0 HA GLU A 72 0.978 2.220 11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.179 0.071 12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.384 -0.304 13.058 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.367 1.700 14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.027 2.336 13.546 1.00 0.00 H new ATOM 1224 N LYS A 73 3.725 0.416 11.635 1.00 0.00 N ATOM 1225 CA LYS A 73 5.159 0.478 11.899 1.00 0.00 C ATOM 1226 C LYS A 73 5.803 1.651 11.166 1.00 0.00 C ATOM 1227 O LYS A 73 5.114 2.515 10.623 1.00 0.00 O ATOM 1228 CB LYS A 73 5.830 -0.829 11.468 1.00 0.00 C ATOM 1229 CG LYS A 73 5.112 -2.078 11.952 1.00 0.00 C ATOM 1230 CD LYS A 73 5.678 -2.565 13.273 1.00 0.00 C ATOM 1231 CE LYS A 73 5.798 -4.079 13.308 1.00 0.00 C ATOM 1232 NZ LYS A 73 5.314 -4.647 14.597 1.00 0.00 N ATOM 0 H LYS A 73 3.408 -0.474 11.250 1.00 0.00 H new ATOM 0 HA LYS A 73 5.298 0.623 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.889 -0.854 10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.853 -0.842 11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.049 -1.867 12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.203 -2.865 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.659 -2.118 13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.037 -2.232 14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.225 -4.507 12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.839 -4.364 13.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.413 -5.682 14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.877 -4.259 15.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.313 -4.398 14.732 1.00 0.00 H new ATOM 1246 N ASN A 74 7.131 1.666 11.147 1.00 0.00 N ATOM 1247 CA ASN A 74 7.881 2.719 10.473 1.00 0.00 C ATOM 1248 C ASN A 74 8.557 2.160 9.225 1.00 0.00 C ATOM 1249 O ASN A 74 8.344 1.003 8.865 1.00 0.00 O ATOM 1250 CB ASN A 74 8.922 3.326 11.419 1.00 0.00 C ATOM 1251 CG ASN A 74 8.286 4.077 12.575 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.798 3.469 13.528 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.288 5.405 12.499 1.00 0.00 N ATOM 0 H ASN A 74 7.713 0.957 11.593 1.00 0.00 H new ATOM 0 HA ASN A 74 7.189 3.507 10.175 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.559 2.533 11.811 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.566 4.004 10.859 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.874 5.959 13.249 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.703 5.869 11.691 1.00 0.00 H new ATOM 1260 N LEU A 75 9.362 2.980 8.561 1.00 0.00 N ATOM 1261 CA LEU A 75 10.049 2.552 7.347 1.00 0.00 C ATOM 1262 C LEU A 75 10.968 1.359 7.610 1.00 0.00 C ATOM 1263 O LEU A 75 10.878 0.335 6.933 1.00 0.00 O ATOM 1264 CB LEU A 75 10.858 3.711 6.761 1.00 0.00 C ATOM 1265 CG LEU A 75 10.792 3.848 5.239 1.00 0.00 C ATOM 1266 CD1 LEU A 75 11.084 2.514 4.567 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.430 4.373 4.813 1.00 0.00 C ATOM 0 H LEU A 75 9.555 3.942 8.840 1.00 0.00 H new ATOM 0 HA LEU A 75 9.289 2.240 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.507 4.641 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.901 3.590 7.054 1.00 0.00 H new ATOM 0 HG LEU A 75 11.553 4.563 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.032 2.633 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.082 2.176 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.348 1.777 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.399 4.465 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.654 3.681 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.259 5.350 5.265 1.00 0.00 H new ATOM 1279 N GLU A 76 11.860 1.502 8.583 1.00 0.00 N ATOM 1280 CA GLU A 76 12.801 0.438 8.923 1.00 0.00 C ATOM 1281 C GLU A 76 12.106 -0.739 9.605 1.00 0.00 C ATOM 1282 O GLU A 76 12.252 -1.887 9.185 1.00 0.00 O ATOM 1283 CB GLU A 76 13.907 0.979 9.829 1.00 0.00 C ATOM 1284 CG GLU A 76 15.014 -0.025 10.101 1.00 0.00 C ATOM 1285 CD GLU A 76 16.379 0.626 10.212 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.613 1.348 11.204 1.00 0.00 O ATOM 1287 OE2 GLU A 76 17.215 0.411 9.309 1.00 0.00 O ATOM 0 H GLU A 76 11.953 2.344 9.151 1.00 0.00 H new ATOM 0 HA GLU A 76 13.235 0.077 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.339 1.868 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.469 1.290 10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.795 -0.560 11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.033 -0.765 9.301 1.00 0.00 H new ATOM 1294 N GLU A 77 11.367 -0.445 10.669 1.00 0.00 N ATOM 1295 CA GLU A 77 10.664 -1.476 11.432 1.00 0.00 C ATOM 1296 C GLU A 77 9.860 -2.412 10.532 1.00 0.00 C ATOM 1297 O GLU A 77 9.770 -3.610 10.798 1.00 0.00 O ATOM 1298 CB GLU A 77 9.738 -0.827 12.462 1.00 0.00 C ATOM 1299 CG GLU A 77 9.473 -1.702 13.677 1.00 0.00 C ATOM 1300 CD GLU A 77 10.672 -1.794 14.601 1.00 0.00 C ATOM 1301 OE1 GLU A 77 11.275 -0.741 14.898 1.00 0.00 O ATOM 1302 OE2 GLU A 77 11.008 -2.918 15.028 1.00 0.00 O ATOM 0 H GLU A 77 11.238 0.502 11.026 1.00 0.00 H new ATOM 0 HA GLU A 77 11.420 -2.075 11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.177 0.115 12.791 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.789 -0.586 11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.623 -1.302 14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.196 -2.703 13.346 1.00 0.00 H new ATOM 1309 N THR A 78 9.270 -1.866 9.475 1.00 0.00 N ATOM 1310 CA THR A 78 8.470 -2.668 8.555 1.00 0.00 C ATOM 1311 C THR A 78 9.316 -3.740 7.879 1.00 0.00 C ATOM 1312 O THR A 78 9.109 -4.935 8.095 1.00 0.00 O ATOM 1313 CB THR A 78 7.817 -1.780 7.498 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.645 -0.675 7.185 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.469 -1.240 7.923 1.00 0.00 C ATOM 0 H THR A 78 9.329 -0.877 9.234 1.00 0.00 H new ATOM 0 HA THR A 78 7.691 -3.161 9.137 1.00 0.00 H new ATOM 0 HB THR A 78 7.677 -2.423 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.230 0.149 7.516 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.059 -0.617 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.790 -2.070 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.585 -0.643 8.828 1.00 0.00 H new ATOM 1323 N GLY A 79 10.267 -3.309 7.058 1.00 0.00 N ATOM 1324 CA GLY A 79 11.123 -4.248 6.359 1.00 0.00 C ATOM 1325 C GLY A 79 11.220 -3.964 4.870 1.00 0.00 C ATOM 1326 O GLY A 79 11.992 -4.612 4.161 1.00 0.00 O ATOM 0 H GLY A 79 10.460 -2.326 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.121 -4.216 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.742 -5.259 6.507 1.00 0.00 H new ATOM 1330 N LEU A 80 10.442 -2.993 4.392 1.00 0.00 N ATOM 1331 CA LEU A 80 10.457 -2.630 2.977 1.00 0.00 C ATOM 1332 C LEU A 80 11.881 -2.335 2.524 1.00 0.00 C ATOM 1333 O LEU A 80 12.292 -2.715 1.427 1.00 0.00 O ATOM 1334 CB LEU A 80 9.576 -1.403 2.723 1.00 0.00 C ATOM 1335 CG LEU A 80 8.065 -1.646 2.765 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.650 -2.685 1.731 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.632 -2.073 4.158 1.00 0.00 C ATOM 0 H LEU A 80 9.796 -2.446 4.962 1.00 0.00 H new ATOM 0 HA LEU A 80 10.063 -3.471 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.823 -0.642 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.832 -0.992 1.746 1.00 0.00 H new ATOM 0 HG LEU A 80 7.565 -0.709 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.572 -2.839 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.920 -2.335 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.161 -3.626 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.555 -2.241 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.146 -2.994 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.884 -1.290 4.873 1.00 0.00 H new ATOM 1349 N THR A 81 12.626 -1.656 3.386 1.00 0.00 N ATOM 1350 CA THR A 81 14.009 -1.303 3.095 1.00 0.00 C ATOM 1351 C THR A 81 14.933 -2.483 3.371 1.00 0.00 C ATOM 1352 O THR A 81 15.943 -2.668 2.690 1.00 0.00 O ATOM 1353 CB THR A 81 14.438 -0.096 3.932 1.00 0.00 C ATOM 1354 OG1 THR A 81 14.013 -0.241 5.276 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.887 1.217 3.417 1.00 0.00 C ATOM 0 H THR A 81 12.294 -1.338 4.296 1.00 0.00 H new ATOM 0 HA THR A 81 14.080 -1.044 2.039 1.00 0.00 H new ATOM 0 HB THR A 81 15.525 -0.068 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.298 0.540 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.229 2.031 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.237 1.384 2.398 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.798 1.183 3.426 1.00 0.00 H new ATOM 1363 N ARG A 82 14.579 -3.283 4.373 1.00 0.00 N ATOM 1364 CA ARG A 82 15.372 -4.451 4.738 1.00 0.00 C ATOM 1365 C ARG A 82 15.550 -5.375 3.536 1.00 0.00 C ATOM 1366 O ARG A 82 16.576 -6.039 3.397 1.00 0.00 O ATOM 1367 CB ARG A 82 14.703 -5.211 5.887 1.00 0.00 C ATOM 1368 CG ARG A 82 14.590 -4.400 7.168 1.00 0.00 C ATOM 1369 CD ARG A 82 15.845 -4.521 8.015 1.00 0.00 C ATOM 1370 NE ARG A 82 16.796 -3.445 7.746 1.00 0.00 N ATOM 1371 CZ ARG A 82 17.783 -3.102 8.571 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.953 -3.749 9.718 1.00 0.00 N ATOM 1373 NH2 ARG A 82 18.601 -2.110 8.249 1.00 0.00 N ATOM 0 H ARG A 82 13.747 -3.143 4.947 1.00 0.00 H new ATOM 0 HA ARG A 82 16.354 -4.109 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.706 -5.522 5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.271 -6.119 6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.415 -3.353 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.728 -4.742 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.572 -4.508 9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.321 -5.482 7.821 1.00 0.00 H new ATOM 0 HE ARG A 82 16.698 -2.925 6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.326 -4.513 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.711 -3.482 10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.474 -1.610 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.357 -1.847 8.881 1.00 0.00 H new ATOM 1387 N LYS A 83 14.543 -5.404 2.670 1.00 0.00 N ATOM 1388 CA LYS A 83 14.583 -6.238 1.475 1.00 0.00 C ATOM 1389 C LYS A 83 15.560 -5.668 0.451 1.00 0.00 C ATOM 1390 O LYS A 83 16.184 -4.632 0.686 1.00 0.00 O ATOM 1391 CB LYS A 83 13.186 -6.350 0.861 1.00 0.00 C ATOM 1392 CG LYS A 83 12.820 -7.761 0.433 1.00 0.00 C ATOM 1393 CD LYS A 83 11.440 -7.808 -0.205 1.00 0.00 C ATOM 1394 CE LYS A 83 11.435 -8.657 -1.466 1.00 0.00 C ATOM 1395 NZ LYS A 83 11.469 -10.113 -1.157 1.00 0.00 N ATOM 0 H LYS A 83 13.688 -4.858 2.774 1.00 0.00 H new ATOM 0 HA LYS A 83 14.925 -7.232 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.451 -5.997 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.125 -5.690 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.562 -8.132 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.845 -8.423 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.722 -8.212 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.115 -6.796 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.544 -8.431 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.296 -8.397 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.464 -10.656 -2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.332 -10.334 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.634 -10.367 -0.591 1.00 0.00 H new ATOM 1409 N ARG A 84 15.687 -6.346 -0.684 1.00 0.00 N ATOM 1410 CA ARG A 84 16.589 -5.901 -1.741 1.00 0.00 C ATOM 1411 C ARG A 84 15.834 -5.104 -2.801 1.00 0.00 C ATOM 1412 O ARG A 84 15.570 -5.602 -3.897 1.00 0.00 O ATOM 1413 CB ARG A 84 17.284 -7.102 -2.385 1.00 0.00 C ATOM 1414 CG ARG A 84 18.572 -7.508 -1.685 1.00 0.00 C ATOM 1415 CD ARG A 84 19.790 -7.242 -2.553 1.00 0.00 C ATOM 1416 NE ARG A 84 20.209 -8.431 -3.290 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.999 -8.400 -4.361 1.00 0.00 C ATOM 1418 NH1 ARG A 84 21.459 -7.244 -4.823 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.332 -9.530 -4.972 1.00 0.00 N ATOM 0 H ARG A 84 15.178 -7.204 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 84 17.342 -5.252 -1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.599 -7.950 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.505 -6.868 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.666 -6.959 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.530 -8.567 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.565 -6.440 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.612 -6.895 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 84 19.877 -9.339 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.208 -6.372 -4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 84 22.064 -7.227 -5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.983 -10.422 -4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.937 -9.507 -5.793 1.00 0.00 H new ATOM 1433 N GLY A 85 15.491 -3.864 -2.469 1.00 0.00 N ATOM 1434 CA GLY A 85 14.773 -3.018 -3.402 1.00 0.00 C ATOM 1435 C GLY A 85 13.287 -3.315 -3.434 1.00 0.00 C ATOM 1436 O GLY A 85 12.766 -3.802 -4.438 1.00 0.00 O ATOM 0 H GLY A 85 15.698 -3.430 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.925 -1.973 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.188 -3.151 -4.401 1.00 0.00 H new ATOM 1440 N ALA A 86 12.602 -3.017 -2.335 1.00 0.00 N ATOM 1441 CA ALA A 86 11.167 -3.253 -2.245 1.00 0.00 C ATOM 1442 C ALA A 86 10.378 -1.977 -2.531 1.00 0.00 C ATOM 1443 O ALA A 86 9.211 -1.861 -2.157 1.00 0.00 O ATOM 1444 CB ALA A 86 10.810 -3.798 -0.869 1.00 0.00 C ATOM 0 H ALA A 86 13.017 -2.612 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 86 10.897 -3.991 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.735 -3.970 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.337 -4.737 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.102 -3.077 -0.105 1.00 0.00 H new ATOM 1450 N GLU A 87 11.021 -1.020 -3.197 1.00 0.00 N ATOM 1451 CA GLU A 87 10.377 0.245 -3.530 1.00 0.00 C ATOM 1452 C GLU A 87 9.666 0.163 -4.877 1.00 0.00 C ATOM 1453 O GLU A 87 10.071 -0.594 -5.759 1.00 0.00 O ATOM 1454 CB GLU A 87 11.409 1.376 -3.554 1.00 0.00 C ATOM 1455 CG GLU A 87 10.795 2.762 -3.453 1.00 0.00 C ATOM 1456 CD GLU A 87 11.696 3.840 -4.025 1.00 0.00 C ATOM 1457 OE1 GLU A 87 12.924 3.618 -4.086 1.00 0.00 O ATOM 1458 OE2 GLU A 87 11.173 4.908 -4.409 1.00 0.00 O ATOM 0 H GLU A 87 11.987 -1.098 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 87 9.633 0.454 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.108 1.236 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.987 1.310 -4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.841 2.773 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.584 2.987 -2.408 1.00 0.00 H new ATOM 1465 N ILE A 88 8.606 0.950 -5.029 1.00 0.00 N ATOM 1466 CA ILE A 88 7.839 0.971 -6.270 1.00 0.00 C ATOM 1467 C ILE A 88 7.552 2.401 -6.714 1.00 0.00 C ATOM 1468 O ILE A 88 7.603 3.333 -5.912 1.00 0.00 O ATOM 1469 CB ILE A 88 6.505 0.218 -6.122 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.701 0.782 -4.951 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.753 -1.272 -5.936 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.248 1.021 -5.286 1.00 0.00 C ATOM 0 H ILE A 88 8.258 1.582 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 88 8.448 0.472 -7.024 1.00 0.00 H new ATOM 0 HB ILE A 88 5.925 0.357 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.764 0.092 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.152 1.720 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.799 -1.790 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.286 -1.663 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.351 -1.432 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.734 1.421 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.176 1.734 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.783 0.080 -5.581 1.00 0.00 H new ATOM 1484 N LEU A 89 7.250 2.568 -7.996 1.00 0.00 N ATOM 1485 CA LEU A 89 6.953 3.886 -8.545 1.00 0.00 C ATOM 1486 C LEU A 89 5.583 4.373 -8.079 1.00 0.00 C ATOM 1487 O LEU A 89 4.692 3.571 -7.797 1.00 0.00 O ATOM 1488 CB LEU A 89 7.011 3.854 -10.074 1.00 0.00 C ATOM 1489 CG LEU A 89 6.038 2.880 -10.742 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.527 3.457 -12.054 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.708 1.534 -10.974 1.00 0.00 C ATOM 0 H LEU A 89 7.204 1.808 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 89 7.707 4.583 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.812 4.857 -10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.025 3.595 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 89 5.187 2.730 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.836 2.752 -12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.011 4.398 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.367 3.635 -12.725 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.002 0.853 -11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.576 1.666 -11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.027 1.117 -10.019 1.00 0.00 H new ATOM 1503 N PRO A 90 5.397 5.702 -7.984 1.00 0.00 N ATOM 1504 CA PRO A 90 4.131 6.297 -7.541 1.00 0.00 C ATOM 1505 C PRO A 90 3.025 6.181 -8.586 1.00 0.00 C ATOM 1506 O PRO A 90 1.842 6.201 -8.252 1.00 0.00 O ATOM 1507 CB PRO A 90 4.494 7.764 -7.310 1.00 0.00 C ATOM 1508 CG PRO A 90 5.639 8.018 -8.226 1.00 0.00 C ATOM 1509 CD PRO A 90 6.411 6.729 -8.294 1.00 0.00 C ATOM 0 HA PRO A 90 3.735 5.793 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.653 8.420 -7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.770 7.945 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.289 8.316 -9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.265 8.828 -7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.849 6.575 -9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.230 6.714 -7.575 1.00 0.00 H new ATOM 1517 N ARG A 91 3.416 6.063 -9.851 1.00 0.00 N ATOM 1518 CA ARG A 91 2.451 5.949 -10.937 1.00 0.00 C ATOM 1519 C ARG A 91 1.648 4.655 -10.814 1.00 0.00 C ATOM 1520 O ARG A 91 0.423 4.660 -10.930 1.00 0.00 O ATOM 1521 CB ARG A 91 3.176 6.032 -12.292 1.00 0.00 C ATOM 1522 CG ARG A 91 2.808 4.937 -13.285 1.00 0.00 C ATOM 1523 CD ARG A 91 1.382 5.095 -13.787 1.00 0.00 C ATOM 1524 NE ARG A 91 1.222 4.588 -15.148 1.00 0.00 N ATOM 1525 CZ ARG A 91 0.209 4.914 -15.948 1.00 0.00 C ATOM 1526 NH1 ARG A 91 -0.734 5.748 -15.528 1.00 0.00 N ATOM 1527 NH2 ARG A 91 0.139 4.404 -17.170 1.00 0.00 N ATOM 0 H ARG A 91 4.392 6.044 -10.148 1.00 0.00 H new ATOM 0 HA ARG A 91 1.746 6.778 -10.874 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.960 7.000 -12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.251 5.996 -12.115 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.497 4.964 -14.129 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.922 3.962 -12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.702 4.565 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.102 6.148 -13.757 1.00 0.00 H new ATOM 0 HE ARG A 91 1.929 3.946 -15.507 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.685 6.142 -14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.508 5.995 -16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.861 3.762 -17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.637 4.654 -17.783 1.00 0.00 H new ATOM 1541 N GLN A 92 2.345 3.549 -10.574 1.00 0.00 N ATOM 1542 CA GLN A 92 1.695 2.250 -10.433 1.00 0.00 C ATOM 1543 C GLN A 92 0.847 2.204 -9.165 1.00 0.00 C ATOM 1544 O GLN A 92 -0.242 1.629 -9.155 1.00 0.00 O ATOM 1545 CB GLN A 92 2.740 1.134 -10.402 1.00 0.00 C ATOM 1546 CG GLN A 92 3.118 0.617 -11.780 1.00 0.00 C ATOM 1547 CD GLN A 92 2.073 -0.318 -12.359 1.00 0.00 C ATOM 1548 OE1 GLN A 92 1.328 0.051 -13.267 1.00 0.00 O ATOM 1549 NE2 GLN A 92 2.014 -1.537 -11.835 1.00 0.00 N ATOM 0 H GLN A 92 3.360 3.526 -10.473 1.00 0.00 H new ATOM 0 HA GLN A 92 1.042 2.102 -11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.636 1.501 -9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.358 0.306 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.259 1.461 -12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.073 0.095 -11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.651 -1.800 -11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.332 -2.210 -12.184 1.00 0.00 H new ATOM 1558 N PHE A 93 1.355 2.814 -8.100 1.00 0.00 N ATOM 1559 CA PHE A 93 0.648 2.847 -6.826 1.00 0.00 C ATOM 1560 C PHE A 93 -0.725 3.489 -6.985 1.00 0.00 C ATOM 1561 O PHE A 93 -1.741 2.904 -6.605 1.00 0.00 O ATOM 1562 CB PHE A 93 1.466 3.617 -5.784 1.00 0.00 C ATOM 1563 CG PHE A 93 0.801 3.696 -4.439 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.304 2.554 -3.829 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.673 4.911 -3.784 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.309 2.623 -2.594 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.061 4.985 -2.549 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.430 3.840 -1.952 1.00 0.00 C ATOM 0 H PHE A 93 2.255 3.293 -8.094 1.00 0.00 H new ATOM 0 HA PHE A 93 0.513 1.820 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.439 3.139 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.648 4.627 -6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.398 1.600 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.056 5.809 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.693 1.727 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.034 5.938 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.908 3.896 -0.985 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.751 4.688 -7.553 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.005 5.398 -7.765 1.00 0.00 C ATOM 1580 C GLU A 94 -2.809 4.747 -8.888 1.00 0.00 C ATOM 1581 O GLU A 94 -4.029 4.900 -8.956 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.748 6.872 -8.078 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.448 7.818 -7.117 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.874 7.753 -5.715 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.808 8.359 -5.482 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -2.490 7.094 -4.852 1.00 0.00 O ATOM 0 H GLU A 94 0.079 5.187 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.587 5.340 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.675 7.062 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.081 7.085 -9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.366 8.838 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.510 7.575 -7.083 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.124 4.004 -9.755 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.788 3.319 -10.854 1.00 0.00 C ATOM 1595 C GLU A 95 -3.829 2.361 -10.297 1.00 0.00 C ATOM 1596 O GLU A 95 -4.993 2.377 -10.699 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.768 2.555 -11.701 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.877 2.842 -13.188 1.00 0.00 C ATOM 1599 CD GLU A 95 -3.034 2.111 -13.842 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -2.978 0.864 -13.920 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -3.994 2.781 -14.271 1.00 0.00 O ATOM 0 H GLU A 95 -1.115 3.863 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.278 4.056 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.764 2.810 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.898 1.486 -11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.998 3.915 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.947 2.554 -13.679 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.397 1.543 -9.345 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.283 0.592 -8.702 1.00 0.00 C ATOM 1610 C ILE A 96 -5.235 1.315 -7.762 1.00 0.00 C ATOM 1611 O ILE A 96 -6.391 0.926 -7.601 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.485 -0.455 -7.913 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.347 -1.005 -8.776 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.397 -1.575 -7.439 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.793 -1.454 -10.155 1.00 0.00 C ATOM 0 H ILE A 96 -2.436 1.522 -9.004 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.853 0.085 -9.480 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.053 0.021 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.580 -0.238 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.886 -1.847 -8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.814 -2.308 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.174 -1.164 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.858 -2.058 -8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.934 -1.832 -10.710 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.538 -2.244 -10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.228 -0.609 -10.690 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.735 2.390 -7.154 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.532 3.198 -6.240 1.00 0.00 C ATOM 1629 C TRP A 97 -6.824 3.636 -6.919 1.00 0.00 C ATOM 1630 O TRP A 97 -7.891 3.652 -6.306 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.730 4.425 -5.799 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.169 4.989 -4.484 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.580 6.268 -4.238 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.233 4.297 -3.232 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.900 6.412 -2.908 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.695 5.215 -2.269 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.947 2.988 -2.834 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.876 4.863 -0.933 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.126 2.641 -1.510 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.587 3.573 -0.572 1.00 0.00 C ATOM 0 H TRP A 97 -3.778 2.720 -7.280 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.781 2.601 -5.363 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.676 4.155 -5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.816 5.198 -6.563 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.644 7.051 -4.979 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.235 7.269 -2.468 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.592 2.261 -3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.231 5.581 -0.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -4.907 1.633 -1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.717 3.269 0.456 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.711 3.977 -8.198 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.860 4.406 -8.985 1.00 0.00 C ATOM 1653 C GLU A 98 -8.590 3.204 -9.578 1.00 0.00 C ATOM 1654 O GLU A 98 -9.791 3.261 -9.836 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.415 5.350 -10.104 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.396 6.479 -10.376 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.717 6.634 -11.849 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -9.353 5.721 -12.417 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.333 7.668 -12.434 1.00 0.00 O ATOM 0 H GLU A 98 -5.831 3.964 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.545 4.936 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.446 5.777 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.274 4.774 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.318 6.294 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.981 7.414 -9.999 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.852 2.117 -9.794 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.426 0.901 -10.361 1.00 0.00 C ATOM 1668 C ARG A 99 -9.598 0.402 -9.519 1.00 0.00 C ATOM 1669 O ARG A 99 -10.638 0.018 -10.054 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.362 -0.191 -10.467 1.00 0.00 C ATOM 1671 CG ARG A 99 -6.447 -0.033 -11.672 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.442 -1.282 -12.538 1.00 0.00 C ATOM 1673 NE ARG A 99 -5.887 -2.437 -11.835 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.085 -3.698 -12.211 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.823 -3.973 -13.279 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -5.543 -4.688 -11.515 1.00 0.00 N ATOM 0 H ARG A 99 -6.856 2.055 -9.585 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.795 1.139 -11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.758 -0.188 -9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.854 -1.162 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.771 0.821 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.433 0.180 -11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.460 -1.506 -12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.861 -1.094 -13.441 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.315 -2.267 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.243 -3.215 -13.818 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.970 -4.942 -13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.975 -4.482 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.694 -5.655 -11.802 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.424 0.410 -8.202 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.470 -0.044 -7.293 1.00 0.00 C ATOM 1692 C CYS A 100 -11.325 1.130 -6.817 1.00 0.00 C ATOM 1693 O CYS A 100 -12.423 1.354 -7.324 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.856 -0.772 -6.094 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.059 -1.307 -4.853 1.00 0.00 S ATOM 0 H CYS A 100 -8.571 0.725 -7.741 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.112 -0.738 -7.835 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.310 -1.644 -6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.128 -0.115 -5.618 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.434 -1.680 -3.776 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.813 1.875 -5.841 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.548 3.014 -5.318 1.00 0.00 C ATOM 1703 C GLY A 101 -10.842 3.676 -4.151 1.00 0.00 C ATOM 1704 O GLY A 101 -11.487 4.133 -3.207 1.00 0.00 O ATOM 0 H GLY A 101 -9.906 1.711 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.692 3.745 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.539 2.688 -5.001 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.515 3.728 -4.214 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.745 4.342 -3.149 1.00 0.00 C ATOM 1710 C GLY A 102 -9.111 5.796 -2.937 1.00 0.00 C ATOM 1711 O GLY A 102 -9.383 6.219 -1.814 1.00 0.00 O ATOM 0 H GLY A 102 -8.960 3.356 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.907 3.791 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.683 4.268 -3.383 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.116 6.561 -4.021 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.450 7.976 -3.958 1.00 0.00 C ATOM 1717 C ILE A 103 -10.838 8.187 -3.365 1.00 0.00 C ATOM 1718 O ILE A 103 -11.015 8.986 -2.447 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.395 8.624 -5.353 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.110 8.211 -6.071 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.492 10.139 -5.245 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.296 7.046 -7.012 1.00 0.00 C ATOM 0 H ILE A 103 -8.892 6.223 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.709 8.450 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.247 8.274 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.726 9.063 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.355 7.952 -5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.451 10.578 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.433 10.410 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.661 10.515 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.345 6.807 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.651 6.180 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.027 7.309 -7.776 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.821 7.463 -3.891 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.191 7.571 -3.407 1.00 0.00 C ATOM 1736 C GLN A 104 -13.252 7.292 -1.909 1.00 0.00 C ATOM 1737 O GLN A 104 -13.908 8.012 -1.158 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.102 6.598 -4.158 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.653 7.161 -5.458 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.564 7.676 -6.380 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -13.427 8.882 -6.584 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.782 6.760 -6.939 1.00 0.00 N ATOM 0 H GLN A 104 -11.694 6.796 -4.652 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.538 8.588 -3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.546 5.686 -4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.934 6.319 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.223 6.387 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.347 7.971 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.933 5.771 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.030 7.045 -7.567 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.550 6.246 -1.482 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.511 5.878 -0.072 1.00 0.00 C ATOM 1753 C TYR A 105 -11.891 7.005 0.748 1.00 0.00 C ATOM 1754 O TYR A 105 -12.417 7.395 1.790 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.714 4.583 0.116 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.489 4.208 1.566 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.559 3.907 2.398 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.207 4.157 2.098 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.358 3.564 3.723 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -9.997 3.816 3.419 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.075 3.520 4.227 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.870 3.179 5.544 1.00 0.00 O ATOM 0 H TYR A 105 -12.002 5.640 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.531 5.713 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.239 3.769 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.747 4.688 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.564 3.941 2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.361 4.388 1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.200 3.332 4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.994 3.781 3.818 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.412 2.314 5.590 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.772 7.531 0.258 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.082 8.620 0.933 1.00 0.00 C ATOM 1774 C LEU A 106 -10.978 9.851 1.005 1.00 0.00 C ATOM 1775 O LEU A 106 -11.024 10.542 2.021 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.781 8.958 0.199 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.533 8.957 1.076 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.283 9.152 0.233 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.632 10.032 2.147 1.00 0.00 C ATOM 0 H LEU A 106 -10.326 7.219 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.841 8.303 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.640 8.241 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.884 9.941 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.462 7.988 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.405 9.148 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.204 8.343 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.343 10.105 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.733 10.016 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.730 11.009 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.504 9.843 2.773 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.695 10.109 -0.082 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.604 11.247 -0.156 1.00 0.00 C ATOM 1793 C GLN A 107 -13.738 11.098 0.855 1.00 0.00 C ATOM 1794 O GLN A 107 -14.277 12.085 1.354 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.178 11.373 -1.570 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.750 12.638 -2.292 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.464 13.874 -1.778 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -12.975 14.557 -0.878 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -14.627 14.167 -2.350 1.00 0.00 N ATOM 0 H GLN A 107 -11.664 9.542 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.043 12.150 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.868 10.508 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.266 11.348 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.674 12.771 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.946 12.527 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.994 13.572 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.153 14.987 -2.046 1.00 0.00 H new ATOM 1808 N SER A 108 -14.092 9.851 1.148 1.00 0.00 N ATOM 1809 CA SER A 108 -15.161 9.555 2.095 1.00 0.00 C ATOM 1810 C SER A 108 -14.740 9.922 3.513 1.00 0.00 C ATOM 1811 O SER A 108 -15.456 10.630 4.221 1.00 0.00 O ATOM 1812 CB SER A 108 -15.536 8.073 2.028 1.00 0.00 C ATOM 1813 OG SER A 108 -16.615 7.780 2.900 1.00 0.00 O ATOM 0 H SER A 108 -13.652 9.026 0.741 1.00 0.00 H new ATOM 0 HA SER A 108 -16.031 10.153 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.808 7.809 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.673 7.464 2.295 1.00 0.00 H new ATOM 0 HG SER A 108 -16.837 6.827 2.838 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.563 9.452 3.914 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.039 9.750 5.238 1.00 0.00 C ATOM 1821 C ALA A 109 -12.593 11.202 5.294 1.00 0.00 C ATOM 1822 O ALA A 109 -12.736 11.879 6.312 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.879 8.822 5.571 1.00 0.00 C ATOM 0 H ALA A 109 -12.957 8.865 3.341 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.824 9.591 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.498 9.058 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.223 7.788 5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.084 8.955 4.837 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.066 11.668 4.171 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.602 13.038 4.039 1.00 0.00 C ATOM 1831 C ILE A 110 -12.740 14.016 4.324 1.00 0.00 C ATOM 1832 O ILE A 110 -12.589 14.950 5.113 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.039 13.273 2.619 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.586 12.808 2.540 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.145 14.733 2.214 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.064 12.704 1.123 1.00 0.00 C ATOM 0 H ILE A 110 -11.949 11.106 3.328 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.808 13.209 4.766 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.639 12.687 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.959 13.502 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.497 11.836 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.740 14.862 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.191 15.039 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.580 15.347 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.027 12.369 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.667 11.988 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.121 13.680 0.642 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.883 13.785 3.684 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.051 14.635 3.874 1.00 0.00 C ATOM 1850 C GLU A 111 -15.673 14.393 5.244 1.00 0.00 C ATOM 1851 O GLU A 111 -16.125 15.327 5.908 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.087 14.369 2.778 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.617 14.767 1.388 1.00 0.00 C ATOM 1854 CD GLU A 111 -15.947 16.210 1.053 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.030 16.681 1.457 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -15.120 16.868 0.385 1.00 0.00 O ATOM 0 H GLU A 111 -14.024 13.016 3.029 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.730 15.675 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.339 13.309 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.001 14.914 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.540 14.618 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.079 14.111 0.650 1.00 0.00 H new ATOM 1863 N SER A 112 -15.688 13.132 5.661 1.00 0.00 N ATOM 1864 CA SER A 112 -16.250 12.757 6.954 1.00 0.00 C ATOM 1865 C SER A 112 -15.421 13.327 8.102 1.00 0.00 C ATOM 1866 O SER A 112 -15.877 13.365 9.245 1.00 0.00 O ATOM 1867 CB SER A 112 -16.329 11.234 7.073 1.00 0.00 C ATOM 1868 OG SER A 112 -17.572 10.748 6.596 1.00 0.00 O ATOM 0 H SER A 112 -15.317 12.350 5.121 1.00 0.00 H new ATOM 0 HA SER A 112 -17.254 13.175 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.516 10.779 6.507 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.196 10.940 8.114 1.00 0.00 H new ATOM 0 HG SER A 112 -17.596 9.772 6.682 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.199 13.766 7.793 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.299 14.334 8.796 1.00 0.00 C ATOM 1876 C ARG A 113 -12.667 13.236 9.643 1.00 0.00 C ATOM 1877 O ARG A 113 -12.424 13.417 10.836 1.00 0.00 O ATOM 1878 CB ARG A 113 -14.037 15.331 9.695 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.870 16.342 8.926 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.991 17.336 8.186 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.574 18.444 9.042 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.489 19.185 8.824 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -11.712 18.946 7.775 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.185 20.172 9.656 1.00 0.00 N ATOM 0 H ARG A 113 -13.810 13.738 6.851 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.508 14.865 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.686 14.781 10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.309 15.863 10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.512 15.822 8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.525 16.875 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.109 16.824 7.802 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.533 17.728 7.325 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.149 18.663 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.944 18.191 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.883 19.517 7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.782 20.362 10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.354 20.741 9.491 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.395 12.098 9.013 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.782 10.970 9.702 1.00 0.00 C ATOM 1900 C GLN A 114 -10.326 10.806 9.275 1.00 0.00 C ATOM 1901 O GLN A 114 -9.496 10.312 10.038 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.559 9.683 9.415 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.798 9.515 10.279 1.00 0.00 C ATOM 1904 CD GLN A 114 -13.462 9.158 11.714 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -12.916 8.090 11.990 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -13.788 10.055 12.638 1.00 0.00 N ATOM 0 H GLN A 114 -12.590 11.933 8.025 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.811 11.168 10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.854 9.673 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.900 8.829 9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.376 10.439 10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.431 8.737 9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -14.240 10.928 12.365 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.587 9.871 13.621 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.026 11.229 8.050 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.672 11.136 7.519 1.00 0.00 C ATOM 1917 C ALA A 115 -7.766 12.193 8.142 1.00 0.00 C ATOM 1918 O ALA A 115 -8.226 13.265 8.536 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.693 11.281 6.003 1.00 0.00 C ATOM 0 H ALA A 115 -10.703 11.639 7.407 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.271 10.156 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.676 11.210 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.302 10.487 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.116 12.250 5.736 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.476 11.885 8.229 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.507 12.811 8.803 1.00 0.00 C ATOM 1927 C ARG A 116 -4.620 13.417 7.716 1.00 0.00 C ATOM 1928 O ARG A 116 -3.774 12.730 7.143 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.641 12.096 9.843 1.00 0.00 C ATOM 1930 CG ARG A 116 -4.102 10.757 9.369 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.188 10.124 10.407 1.00 0.00 C ATOM 1932 NE ARG A 116 -1.786 10.162 9.999 1.00 0.00 N ATOM 1933 CZ ARG A 116 -0.834 9.410 10.546 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.127 8.563 11.524 1.00 0.00 N ATOM 1935 NH2 ARG A 116 0.415 9.506 10.113 1.00 0.00 N ATOM 0 H ARG A 116 -6.078 11.002 7.910 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.057 13.617 9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -3.804 12.741 10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.228 11.942 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.933 10.084 9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.555 10.894 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.303 10.645 11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.489 9.090 10.572 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.521 10.803 9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.087 8.485 11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.393 7.989 11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.646 10.156 9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.146 8.930 10.531 1.00 0.00 H new ATOM 1949 N PRO A 117 -4.800 14.717 7.412 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.011 15.407 6.386 1.00 0.00 C ATOM 1951 C PRO A 117 -2.516 15.122 6.502 1.00 0.00 C ATOM 1952 O PRO A 117 -1.794 15.813 7.222 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.299 16.882 6.663 1.00 0.00 C ATOM 1954 CG PRO A 117 -5.668 16.889 7.246 1.00 0.00 C ATOM 1955 CD PRO A 117 -5.789 15.616 8.041 1.00 0.00 C ATOM 0 HA PRO A 117 -4.277 15.083 5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.571 17.306 7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.253 17.474 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.816 17.762 7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.425 16.933 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.568 15.780 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.797 15.204 7.987 1.00 0.00 H new ATOM 1963 N THR A 118 -2.056 14.099 5.784 1.00 0.00 N ATOM 1964 CA THR A 118 -0.647 13.721 5.803 1.00 0.00 C ATOM 1965 C THR A 118 0.001 13.984 4.448 1.00 0.00 C ATOM 1966 O THR A 118 1.000 14.698 4.355 1.00 0.00 O ATOM 1967 CB THR A 118 -0.498 12.245 6.177 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.277 11.935 7.318 1.00 0.00 O ATOM 1969 CG2 THR A 118 0.932 11.847 6.475 1.00 0.00 C ATOM 0 H THR A 118 -2.640 13.518 5.182 1.00 0.00 H new ATOM 0 HA THR A 118 -0.141 14.329 6.553 1.00 0.00 H new ATOM 0 HB THR A 118 -0.840 11.689 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.228 11.959 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.969 10.789 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.551 12.028 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.307 12.438 7.311 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.575 13.406 3.399 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.057 13.583 2.047 1.00 0.00 C ATOM 1979 C TYR A 119 -1.067 13.103 1.010 1.00 0.00 C ATOM 1980 O TYR A 119 -1.483 13.865 0.138 1.00 0.00 O ATOM 1981 CB TYR A 119 1.263 12.832 1.870 1.00 0.00 C ATOM 1982 CG TYR A 119 1.933 13.107 0.542 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.616 12.359 -0.585 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.877 14.117 0.415 1.00 0.00 C ATOM 1985 CE1 TYR A 119 2.222 12.610 -1.802 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.487 14.375 -0.798 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.157 13.618 -1.903 1.00 0.00 C ATOM 1988 OH TYR A 119 3.762 13.873 -3.113 1.00 0.00 O ATOM 0 H TYR A 119 -1.401 12.811 3.459 1.00 0.00 H new ATOM 0 HA TYR A 119 0.120 14.648 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.942 13.109 2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 119 1.079 11.762 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.884 11.568 -0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.139 14.711 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.964 12.020 -2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.218 15.165 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 119 4.394 14.615 -3.013 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.457 11.836 1.110 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.420 11.259 0.178 1.00 0.00 C ATOM 2000 C ALA A 120 -3.698 12.087 0.129 1.00 0.00 C ATOM 2001 O ALA A 120 -4.243 12.344 -0.944 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.736 9.822 0.562 1.00 0.00 C ATOM 0 H ALA A 120 -1.122 11.190 1.825 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.973 11.266 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.456 9.407 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.821 9.230 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.158 9.798 1.567 1.00 0.00 H new ATOM 2008 N THR A 121 -4.169 12.508 1.300 1.00 0.00 N ATOM 2009 CA THR A 121 -5.379 13.314 1.385 1.00 0.00 C ATOM 2010 C THR A 121 -5.222 14.596 0.576 1.00 0.00 C ATOM 2011 O THR A 121 -6.080 14.935 -0.240 1.00 0.00 O ATOM 2012 CB THR A 121 -5.702 13.641 2.842 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.531 14.027 3.542 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.331 12.483 3.588 1.00 0.00 C ATOM 0 H THR A 121 -3.732 12.304 2.199 1.00 0.00 H new ATOM 0 HA THR A 121 -6.206 12.740 0.968 1.00 0.00 H new ATOM 0 HB THR A 121 -6.422 14.459 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.101 13.233 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.536 12.781 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.264 12.199 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.647 11.634 3.585 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.109 15.293 0.785 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.833 16.522 0.053 1.00 0.00 C ATOM 2024 C ALA A 122 -3.756 16.222 -1.439 1.00 0.00 C ATOM 2025 O ALA A 122 -4.407 16.874 -2.260 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.536 17.151 0.536 1.00 0.00 C ATOM 0 H ALA A 122 -3.386 15.028 1.454 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.641 17.231 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.346 18.068 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.617 17.383 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.713 16.454 0.379 1.00 0.00 H new ATOM 2032 N MET A 123 -2.966 15.208 -1.770 1.00 0.00 N ATOM 2033 CA MET A 123 -2.798 14.775 -3.149 1.00 0.00 C ATOM 2034 C MET A 123 -4.152 14.443 -3.761 1.00 0.00 C ATOM 2035 O MET A 123 -4.366 14.618 -4.960 1.00 0.00 O ATOM 2036 CB MET A 123 -1.868 13.564 -3.204 1.00 0.00 C ATOM 2037 CG MET A 123 -1.022 13.499 -4.466 1.00 0.00 C ATOM 2038 SD MET A 123 -2.006 13.216 -5.950 1.00 0.00 S ATOM 2039 CE MET A 123 -3.115 11.936 -5.372 1.00 0.00 C ATOM 0 H MET A 123 -2.427 14.667 -1.094 1.00 0.00 H new ATOM 0 HA MET A 123 -2.349 15.583 -3.727 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.209 13.584 -2.336 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.465 12.655 -3.130 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.467 14.431 -4.575 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.287 12.701 -4.365 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.173 11.141 -6.116 1.00 0.00 H new ATOM 0 HE2 MET A 123 -2.741 11.528 -4.433 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.107 12.358 -5.214 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.073 13.979 -2.921 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.414 13.644 -3.370 1.00 0.00 C ATOM 2051 C LEU A 124 -7.171 14.914 -3.729 1.00 0.00 C ATOM 2052 O LEU A 124 -7.805 15.004 -4.782 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.164 12.870 -2.284 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.938 11.647 -2.782 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.184 10.365 -2.460 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.335 11.617 -2.176 1.00 0.00 C ATOM 0 H LEU A 124 -4.911 13.828 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.341 13.012 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.448 12.546 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.862 13.547 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.035 11.720 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.752 9.508 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.208 10.385 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.051 10.282 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.871 10.741 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.259 11.570 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.876 12.519 -2.463 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.085 15.905 -2.845 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.744 17.187 -3.066 1.00 0.00 C ATOM 2070 C GLN A 125 -7.380 17.730 -4.440 1.00 0.00 C ATOM 2071 O GLN A 125 -8.219 18.294 -5.141 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.343 18.189 -1.982 1.00 0.00 C ATOM 2073 CG GLN A 125 -7.727 17.754 -0.577 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.227 17.777 -0.351 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -9.981 18.319 -1.159 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -9.666 17.186 0.755 1.00 0.00 N ATOM 0 H GLN A 125 -6.565 15.844 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.823 17.037 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.265 18.344 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.811 19.150 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.351 16.747 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.244 18.409 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.004 16.749 1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.665 17.169 0.962 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.122 17.537 -4.824 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.647 17.992 -6.122 1.00 0.00 C ATOM 2087 C ASN A 126 -6.111 17.036 -7.212 1.00 0.00 C ATOM 2088 O ASN A 126 -6.450 17.453 -8.318 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.122 18.105 -6.131 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.615 19.151 -5.157 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.307 19.519 -4.208 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.400 19.635 -5.390 1.00 0.00 N ATOM 0 H ASN A 126 -5.416 17.070 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.064 18.980 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.687 17.138 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.785 18.355 -7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.005 20.341 -4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -1.862 19.300 -6.189 1.00 0.00 H new ATOM 2099 N LEU A 127 -6.145 15.748 -6.881 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.590 14.732 -7.819 1.00 0.00 C ATOM 2101 C LEU A 127 -8.040 14.981 -8.225 1.00 0.00 C ATOM 2102 O LEU A 127 -8.510 14.459 -9.236 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.455 13.343 -7.194 1.00 0.00 C ATOM 2104 CG LEU A 127 -6.103 12.223 -8.174 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.608 11.942 -8.153 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.889 10.963 -7.840 1.00 0.00 C ATOM 0 H LEU A 127 -5.868 15.387 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.963 14.784 -8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.688 13.382 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.393 13.091 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.375 12.545 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.378 11.142 -8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.064 12.843 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.309 11.639 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.629 10.174 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.645 10.640 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.957 11.172 -7.907 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.747 15.782 -7.427 1.00 0.00 N ATOM 2119 CA LEU A 128 -10.142 16.097 -7.705 1.00 0.00 C ATOM 2120 C LEU A 128 -10.443 17.559 -7.395 1.00 0.00 C ATOM 2121 O LEU A 128 -10.990 17.881 -6.339 1.00 0.00 O ATOM 2122 CB LEU A 128 -11.063 15.193 -6.888 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.783 15.189 -5.388 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.910 15.874 -4.630 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.579 13.768 -4.884 1.00 0.00 C ATOM 0 H LEU A 128 -8.374 16.222 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.321 15.925 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -12.095 15.505 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.976 14.173 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.864 15.748 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.691 15.861 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -12.002 16.906 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.846 15.347 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.381 13.787 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.477 13.181 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.733 13.316 -5.402 1.00 0.00 H new ATOM 2137 N LYS A 129 -10.083 18.441 -8.321 1.00 0.00 N ATOM 2138 CA LYS A 129 -10.315 19.870 -8.147 1.00 0.00 C ATOM 2139 C LYS A 129 -11.805 20.170 -8.032 1.00 0.00 C ATOM 2140 O LYS A 129 -12.505 20.082 -9.064 1.00 0.00 O ATOM 2141 CB LYS A 129 -9.713 20.652 -9.316 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.217 20.889 -9.182 1.00 0.00 C ATOM 2143 CD LYS A 129 -7.418 19.835 -9.933 1.00 0.00 C ATOM 2144 CE LYS A 129 -6.987 20.335 -11.303 1.00 0.00 C ATOM 2145 NZ LYS A 129 -6.102 19.358 -11.994 1.00 0.00 N ATOM 2146 OXT LYS A 129 -12.260 20.489 -6.914 1.00 0.00 O ATOM 0 H LYS A 129 -9.629 18.191 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 129 -9.829 20.181 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -9.905 20.110 -10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -10.219 21.614 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -7.968 21.878 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -7.938 20.877 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.538 19.561 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -8.019 18.933 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.869 20.523 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.465 21.286 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.829 19.734 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.249 19.197 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.609 18.459 -12.119 1.00 0.00 H new TER 2160 LYS A 129