USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=24 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 107 GLN : amide:sc= -0.433 K(o=-1.8,f=-0.29) USER MOD Set 1.2: A 125 GLN : amide:sc= -1.37 K(o=-1.8,f=-0.29) USER MOD Set 2.1: A 12 GLN : amide:sc= -4.89! C(o=-13!,f=-14!) USER MOD Set 2.2: A 40 HIS : no HE2:sc= -8.15! C(o=-13!,f=-14!) USER MOD Set 3.1: A 31 ASN : amide:sc= 0 X(o=-1.6,f=-1.8) USER MOD Set 3.2: A 33 LYS NZ :NH3+ 158:sc= -1.62 (180deg=-1.81) USER MOD Set 4.1: A 3 GLN : amide:sc= -0.693 K(o=-2.4,f=-4.6!) USER MOD Set 4.2: A 8 MET CE :methyl -136:sc= -1.69 (180deg=-2.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.16 K(o=-2.2,f=-0.46) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.371 K(o=0.37,f=-2!) USER MOD Single : A 25 GLN : amide:sc= -2.61 X(o=-2.6,f=-2.7) USER MOD Single : A 26 TYR OH : rot 165:sc= -0.0655 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 1.04 (180deg=0.33) USER MOD Single : A 34 LYS NZ :NH3+ 137:sc= -3.87! (180deg=-7.13!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0747 USER MOD Single : A 49 GLN : amide:sc= -3.54 K(o=-3.5,f=-8.8!) USER MOD Single : A 50 MET CE :methyl -166:sc= -3.15! (180deg=-3.64!) USER MOD Single : A 53 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-1.7) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -149:sc= -0.339 (180deg=-1.53!) USER MOD Single : A 70 MET CE :methyl 163:sc= -7.04! (180deg=-8.87!) USER MOD Single : A 71 CYS SG : rot 96:sc= 0.861 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.778 K(o=0.78,f=-0.58) USER MOD Single : A 78 THR OG1 : rot -86:sc= -0.0943 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0961) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot 137:sc= -2.96 USER MOD Single : A 104 GLN : amide:sc= -0.863 K(o=-0.86,f=-0.23) USER MOD Single : A 105 TYR OH : rot 74:sc= -0.0203 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= -1.84 K(o=-1.8,f=-5.5!) USER MOD Single : A 118 THR OG1 : rot -72:sc= 1.24 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -123:sc= -1.18 USER MOD Single : A 123 MET CE :methyl 172:sc= -10.5! (180deg=-10.7!) USER MOD Single : A 126 ASN : amide:sc= -4.66 K(o=-4.7,f=-6.7!) USER MOD Single : A 129 LYS NZ :NH3+ 156:sc= -0.881 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.460 26.010 6.130 1.00 0.00 N ATOM 2 CA ALA A 1 -6.997 25.774 6.018 1.00 0.00 C ATOM 3 C ALA A 1 -6.700 24.301 5.752 1.00 0.00 C ATOM 4 O ALA A 1 -6.229 23.581 6.635 1.00 0.00 O ATOM 5 CB ALA A 1 -6.289 26.240 7.283 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.636 27.019 6.311 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.926 25.731 5.243 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.844 25.446 6.915 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.622 26.352 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.218 26.061 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.468 27.305 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.674 25.687 8.140 1.00 0.00 H new ATOM 13 N ARG A 2 -6.977 23.859 4.530 1.00 0.00 N ATOM 14 CA ARG A 2 -6.738 22.472 4.148 1.00 0.00 C ATOM 15 C ARG A 2 -5.250 22.155 4.160 1.00 0.00 C ATOM 16 O ARG A 2 -4.775 21.376 4.986 1.00 0.00 O ATOM 17 CB ARG A 2 -7.318 22.199 2.759 1.00 0.00 C ATOM 18 CG ARG A 2 -8.834 22.303 2.702 1.00 0.00 C ATOM 19 CD ARG A 2 -9.443 21.201 1.848 1.00 0.00 C ATOM 20 NE ARG A 2 -10.395 20.389 2.601 1.00 0.00 N ATOM 21 CZ ARG A 2 -10.041 19.428 3.451 1.00 0.00 C ATOM 22 NH1 ARG A 2 -8.761 19.156 3.662 1.00 0.00 N ATOM 23 NH2 ARG A 2 -10.973 18.736 4.093 1.00 0.00 N ATOM 0 H ARG A 2 -7.367 24.440 3.788 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.234 21.829 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.887 22.905 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.018 21.201 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.241 22.247 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.117 23.275 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.945 21.644 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.649 20.563 1.460 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.390 20.569 2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.040 19.685 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.497 18.418 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.960 18.941 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.703 17.999 4.745 1.00 0.00 H new ATOM 37 N GLN A 3 -4.518 22.772 3.241 1.00 0.00 N ATOM 38 CA GLN A 3 -3.077 22.567 3.139 1.00 0.00 C ATOM 39 C GLN A 3 -2.399 22.828 4.479 1.00 0.00 C ATOM 40 O GLN A 3 -1.514 22.082 4.895 1.00 0.00 O ATOM 41 CB GLN A 3 -2.488 23.487 2.066 1.00 0.00 C ATOM 42 CG GLN A 3 -0.982 23.363 1.914 1.00 0.00 C ATOM 43 CD GLN A 3 -0.584 22.545 0.700 1.00 0.00 C ATOM 44 OE1 GLN A 3 -1.418 22.223 -0.146 1.00 0.00 O ATOM 45 NE2 GLN A 3 0.696 22.202 0.610 1.00 0.00 N ATOM 0 H GLN A 3 -4.899 23.421 2.553 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.897 21.530 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.960 23.263 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.736 24.520 2.310 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.545 24.359 1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.567 22.902 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.353 22.491 1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.022 21.650 -0.184 1.00 0.00 H new ATOM 54 N GLN A 4 -2.826 23.890 5.149 1.00 0.00 N ATOM 55 CA GLN A 4 -2.266 24.248 6.447 1.00 0.00 C ATOM 56 C GLN A 4 -2.454 23.113 7.446 1.00 0.00 C ATOM 57 O GLN A 4 -1.592 22.867 8.291 1.00 0.00 O ATOM 58 CB GLN A 4 -2.919 25.526 6.973 1.00 0.00 C ATOM 59 CG GLN A 4 -2.830 26.695 6.006 1.00 0.00 C ATOM 60 CD GLN A 4 -1.399 27.084 5.691 1.00 0.00 C ATOM 61 OE1 GLN A 4 -0.914 28.123 6.141 1.00 0.00 O ATOM 62 NE2 GLN A 4 -0.712 26.252 4.916 1.00 0.00 N ATOM 0 H GLN A 4 -3.557 24.518 4.816 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.198 24.424 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.968 25.325 7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.445 25.806 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.344 26.436 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.351 27.553 6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.152 25.402 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.256 26.463 4.673 1.00 0.00 H new ATOM 71 N GLU A 5 -3.581 22.416 7.339 1.00 0.00 N ATOM 72 CA GLU A 5 -3.874 21.301 8.227 1.00 0.00 C ATOM 73 C GLU A 5 -3.000 20.105 7.865 1.00 0.00 C ATOM 74 O GLU A 5 -2.309 19.545 8.715 1.00 0.00 O ATOM 75 CB GLU A 5 -5.369 20.947 8.157 1.00 0.00 C ATOM 76 CG GLU A 5 -5.665 19.463 7.998 1.00 0.00 C ATOM 77 CD GLU A 5 -7.106 19.117 8.321 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.971 19.296 7.438 1.00 0.00 O ATOM 79 OE2 GLU A 5 -7.368 18.665 9.455 1.00 0.00 O ATOM 0 H GLU A 5 -4.305 22.605 6.646 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.647 21.587 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.856 21.305 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.817 21.484 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.443 19.160 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.003 18.893 8.650 1.00 0.00 H new ATOM 86 N ILE A 6 -3.024 19.736 6.592 1.00 0.00 N ATOM 87 CA ILE A 6 -2.221 18.625 6.102 1.00 0.00 C ATOM 88 C ILE A 6 -0.750 18.883 6.379 1.00 0.00 C ATOM 89 O ILE A 6 -0.102 18.155 7.131 1.00 0.00 O ATOM 90 CB ILE A 6 -2.409 18.430 4.583 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.863 18.090 4.264 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.473 17.359 4.044 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.549 19.151 3.442 1.00 0.00 C ATOM 0 H ILE A 6 -3.593 20.191 5.878 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.550 17.725 6.621 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.157 19.368 4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.899 17.142 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.410 17.950 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.630 17.245 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.440 17.651 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.678 16.412 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.579 18.852 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.542 20.095 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.023 19.275 2.495 1.00 0.00 H new ATOM 105 N ASP A 7 -0.239 19.932 5.753 1.00 0.00 N ATOM 106 CA ASP A 7 1.157 20.325 5.900 1.00 0.00 C ATOM 107 C ASP A 7 2.083 19.116 5.812 1.00 0.00 C ATOM 108 O ASP A 7 2.378 18.470 6.819 1.00 0.00 O ATOM 109 CB ASP A 7 1.367 21.053 7.228 1.00 0.00 C ATOM 110 CG ASP A 7 2.787 21.559 7.392 1.00 0.00 C ATOM 111 OD1 ASP A 7 3.720 20.728 7.367 1.00 0.00 O ATOM 112 OD2 ASP A 7 2.967 22.786 7.544 1.00 0.00 O ATOM 0 H ASP A 7 -0.777 20.534 5.130 1.00 0.00 H new ATOM 0 HA ASP A 7 1.403 21.001 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.675 21.893 7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.127 20.379 8.050 1.00 0.00 H new ATOM 117 N MET A 8 2.538 18.815 4.601 1.00 0.00 N ATOM 118 CA MET A 8 3.430 17.682 4.375 1.00 0.00 C ATOM 119 C MET A 8 4.683 17.792 5.243 1.00 0.00 C ATOM 120 O MET A 8 4.766 17.181 6.308 1.00 0.00 O ATOM 121 CB MET A 8 3.814 17.596 2.895 1.00 0.00 C ATOM 122 CG MET A 8 2.636 17.311 1.976 1.00 0.00 C ATOM 123 SD MET A 8 2.198 18.723 0.942 1.00 0.00 S ATOM 124 CE MET A 8 0.801 19.384 1.847 1.00 0.00 C ATOM 0 H MET A 8 2.304 19.340 3.759 1.00 0.00 H new ATOM 0 HA MET A 8 2.901 16.771 4.655 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.280 18.534 2.594 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.562 16.813 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.876 16.460 1.338 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.773 17.025 2.577 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.004 19.641 1.149 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.438 18.637 2.553 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.109 20.277 2.390 1.00 0.00 H new ATOM 134 N LYS A 9 5.652 18.579 4.785 1.00 0.00 N ATOM 135 CA LYS A 9 6.897 18.777 5.518 1.00 0.00 C ATOM 136 C LYS A 9 7.486 17.446 5.982 1.00 0.00 C ATOM 137 O LYS A 9 7.922 17.313 7.126 1.00 0.00 O ATOM 138 CB LYS A 9 6.656 19.690 6.721 1.00 0.00 C ATOM 139 CG LYS A 9 6.650 21.169 6.371 1.00 0.00 C ATOM 140 CD LYS A 9 8.060 21.698 6.163 1.00 0.00 C ATOM 141 CE LYS A 9 8.104 22.744 5.061 1.00 0.00 C ATOM 142 NZ LYS A 9 9.256 23.673 5.224 1.00 0.00 N ATOM 0 H LYS A 9 5.598 19.092 3.905 1.00 0.00 H new ATOM 0 HA LYS A 9 7.614 19.247 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.702 19.430 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.428 19.505 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.064 21.327 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.163 21.731 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.428 22.131 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.726 20.873 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.171 22.249 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.175 23.314 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.251 24.371 4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.179 24.165 6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.144 23.133 5.196 1.00 0.00 H new ATOM 156 N ARG A 10 7.498 16.462 5.088 1.00 0.00 N ATOM 157 CA ARG A 10 8.035 15.145 5.410 1.00 0.00 C ATOM 158 C ARG A 10 8.504 14.418 4.152 1.00 0.00 C ATOM 159 O ARG A 10 8.351 14.919 3.039 1.00 0.00 O ATOM 160 CB ARG A 10 6.979 14.306 6.133 1.00 0.00 C ATOM 161 CG ARG A 10 7.556 13.401 7.210 1.00 0.00 C ATOM 162 CD ARG A 10 7.123 13.838 8.601 1.00 0.00 C ATOM 163 NE ARG A 10 5.668 13.887 8.731 1.00 0.00 N ATOM 164 CZ ARG A 10 5.033 14.031 9.891 1.00 0.00 C ATOM 165 NH1 ARG A 10 5.718 14.139 11.023 1.00 0.00 N ATOM 166 NH2 ARG A 10 3.707 14.067 9.921 1.00 0.00 N ATOM 0 H ARG A 10 7.142 16.552 4.136 1.00 0.00 H new ATOM 0 HA ARG A 10 8.895 15.284 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.244 14.972 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.449 13.695 5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.234 12.375 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.644 13.409 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.530 13.149 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.540 14.821 8.818 1.00 0.00 H new ATOM 0 HE ARG A 10 5.107 13.806 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.738 14.112 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.225 14.249 11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.175 13.984 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.220 14.177 10.810 1.00 0.00 H new ATOM 180 N GLN A 11 9.080 13.233 4.341 1.00 0.00 N ATOM 181 CA GLN A 11 9.574 12.434 3.224 1.00 0.00 C ATOM 182 C GLN A 11 8.453 11.599 2.611 1.00 0.00 C ATOM 183 O GLN A 11 7.452 11.308 3.267 1.00 0.00 O ATOM 184 CB GLN A 11 10.714 11.522 3.688 1.00 0.00 C ATOM 185 CG GLN A 11 12.010 11.729 2.921 1.00 0.00 C ATOM 186 CD GLN A 11 11.962 11.138 1.525 1.00 0.00 C ATOM 187 OE1 GLN A 11 11.456 11.760 0.592 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.490 9.928 1.377 1.00 0.00 N ATOM 0 H GLN A 11 9.216 12.806 5.257 1.00 0.00 H new ATOM 0 HA GLN A 11 9.950 13.115 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.898 11.695 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.402 10.483 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.221 12.796 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.832 11.276 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.899 9.449 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.486 9.478 0.461 1.00 0.00 H new ATOM 197 N GLN A 12 8.628 11.218 1.350 1.00 0.00 N ATOM 198 CA GLN A 12 7.631 10.420 0.644 1.00 0.00 C ATOM 199 C GLN A 12 8.278 9.224 -0.050 1.00 0.00 C ATOM 200 O GLN A 12 8.966 9.378 -1.059 1.00 0.00 O ATOM 201 CB GLN A 12 6.896 11.281 -0.380 1.00 0.00 C ATOM 202 CG GLN A 12 6.449 12.626 0.166 1.00 0.00 C ATOM 203 CD GLN A 12 5.371 12.494 1.224 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.418 11.731 1.064 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.517 13.239 2.314 1.00 0.00 N ATOM 0 H GLN A 12 9.452 11.449 0.795 1.00 0.00 H new ATOM 0 HA GLN A 12 6.916 10.046 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.547 11.445 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.023 10.736 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.308 13.146 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.076 13.241 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.323 13.858 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.823 13.192 3.060 1.00 0.00 H new ATOM 214 N ARG A 13 8.047 8.034 0.496 1.00 0.00 N ATOM 215 CA ARG A 13 8.604 6.813 -0.075 1.00 0.00 C ATOM 216 C ARG A 13 7.511 5.775 -0.308 1.00 0.00 C ATOM 217 O ARG A 13 6.609 5.611 0.513 1.00 0.00 O ATOM 218 CB ARG A 13 9.689 6.240 0.840 1.00 0.00 C ATOM 219 CG ARG A 13 10.687 7.279 1.319 1.00 0.00 C ATOM 220 CD ARG A 13 11.568 6.744 2.436 1.00 0.00 C ATOM 221 NE ARG A 13 12.955 6.575 2.006 1.00 0.00 N ATOM 222 CZ ARG A 13 13.988 6.509 2.841 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.800 6.595 4.153 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.217 6.357 2.366 1.00 0.00 N ATOM 0 H ARG A 13 7.479 7.890 1.331 1.00 0.00 H new ATOM 0 HA ARG A 13 9.052 7.063 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.216 5.776 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.223 5.452 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.312 7.595 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.152 8.162 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.532 7.427 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.176 5.787 2.780 1.00 0.00 H new ATOM 0 HE ARG A 13 13.142 6.503 1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.858 6.713 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.597 6.543 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.370 6.291 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.009 6.306 3.007 1.00 0.00 H new ATOM 238 N PHE A 14 7.598 5.082 -1.437 1.00 0.00 N ATOM 239 CA PHE A 14 6.617 4.062 -1.793 1.00 0.00 C ATOM 240 C PHE A 14 7.306 2.718 -2.011 1.00 0.00 C ATOM 241 O PHE A 14 8.351 2.648 -2.658 1.00 0.00 O ATOM 242 CB PHE A 14 5.856 4.483 -3.054 1.00 0.00 C ATOM 243 CG PHE A 14 5.526 5.951 -3.088 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.528 6.897 -3.241 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.216 6.384 -2.958 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.232 8.245 -3.263 1.00 0.00 C ATOM 247 CE2 PHE A 14 3.913 7.733 -2.976 1.00 0.00 C ATOM 248 CZ PHE A 14 4.923 8.664 -3.129 1.00 0.00 C ATOM 0 H PHE A 14 8.341 5.208 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 14 5.906 3.956 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.453 4.231 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.932 3.908 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.554 6.575 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.423 5.660 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.023 8.971 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.889 8.059 -2.871 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.689 9.718 -3.144 1.00 0.00 H new ATOM 258 N PHE A 15 6.728 1.656 -1.457 1.00 0.00 N ATOM 259 CA PHE A 15 7.314 0.325 -1.590 1.00 0.00 C ATOM 260 C PHE A 15 6.253 -0.742 -1.843 1.00 0.00 C ATOM 261 O PHE A 15 5.088 -0.586 -1.474 1.00 0.00 O ATOM 262 CB PHE A 15 8.115 -0.029 -0.334 1.00 0.00 C ATOM 263 CG PHE A 15 8.826 1.144 0.281 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.122 2.095 1.001 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.195 1.297 0.134 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.770 3.178 1.564 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.849 2.379 0.693 1.00 0.00 C ATOM 268 CZ PHE A 15 10.135 3.321 1.411 1.00 0.00 C ATOM 0 H PHE A 15 5.863 1.689 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 15 7.978 0.347 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.441 -0.462 0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.848 -0.796 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.054 1.989 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.758 0.563 -0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.209 3.912 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.916 2.489 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.644 4.166 1.851 1.00 0.00 H new ATOM 278 N ARG A 16 6.682 -1.832 -2.474 1.00 0.00 N ATOM 279 CA ARG A 16 5.802 -2.953 -2.786 1.00 0.00 C ATOM 280 C ARG A 16 6.603 -4.251 -2.775 1.00 0.00 C ATOM 281 O ARG A 16 7.766 -4.270 -3.174 1.00 0.00 O ATOM 282 CB ARG A 16 5.146 -2.748 -4.155 1.00 0.00 C ATOM 283 CG ARG A 16 4.317 -3.931 -4.635 1.00 0.00 C ATOM 284 CD ARG A 16 4.621 -4.272 -6.087 1.00 0.00 C ATOM 285 NE ARG A 16 5.030 -5.664 -6.252 1.00 0.00 N ATOM 286 CZ ARG A 16 5.260 -6.234 -7.435 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.116 -5.536 -8.554 1.00 0.00 N ATOM 288 NH2 ARG A 16 5.631 -7.506 -7.496 1.00 0.00 N ATOM 0 H ARG A 16 7.646 -1.962 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 16 5.017 -3.010 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.507 -1.866 -4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.924 -2.542 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.520 -4.798 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.257 -3.701 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.738 -4.080 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.411 -3.617 -6.455 1.00 0.00 H new ATOM 0 HE ARG A 16 5.146 -6.233 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.828 -4.558 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.293 -5.977 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.740 -8.047 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.807 -7.943 -8.401 1.00 0.00 H new ATOM 302 N ILE A 17 5.986 -5.335 -2.316 1.00 0.00 N ATOM 303 CA ILE A 17 6.673 -6.619 -2.261 1.00 0.00 C ATOM 304 C ILE A 17 5.707 -7.788 -2.454 1.00 0.00 C ATOM 305 O ILE A 17 4.648 -7.841 -1.824 1.00 0.00 O ATOM 306 CB ILE A 17 7.437 -6.808 -0.930 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.827 -5.938 0.177 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.912 -6.479 -1.121 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.571 -6.017 1.494 1.00 0.00 C ATOM 0 H ILE A 17 5.023 -5.351 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 17 7.390 -6.612 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 17 7.349 -7.851 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.808 -4.901 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.792 -6.241 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.440 -6.615 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.338 -7.141 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.015 -5.444 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.082 -5.376 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.568 -7.046 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.600 -5.686 1.351 1.00 0.00 H new ATOM 321 N PRO A 18 6.063 -8.743 -3.336 1.00 0.00 N ATOM 322 CA PRO A 18 5.240 -9.912 -3.619 1.00 0.00 C ATOM 323 C PRO A 18 5.594 -11.097 -2.727 1.00 0.00 C ATOM 324 O PRO A 18 6.673 -11.679 -2.854 1.00 0.00 O ATOM 325 CB PRO A 18 5.608 -10.214 -5.066 1.00 0.00 C ATOM 326 CG PRO A 18 7.051 -9.838 -5.170 1.00 0.00 C ATOM 327 CD PRO A 18 7.301 -8.759 -4.139 1.00 0.00 C ATOM 0 HA PRO A 18 4.179 -9.735 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.454 -11.267 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.996 -9.638 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.689 -10.702 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.284 -9.476 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.173 -8.987 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.485 -7.793 -4.608 1.00 0.00 H new ATOM 335 N PHE A 19 4.685 -11.456 -1.831 1.00 0.00 N ATOM 336 CA PHE A 19 4.910 -12.577 -0.927 1.00 0.00 C ATOM 337 C PHE A 19 3.710 -13.517 -0.920 1.00 0.00 C ATOM 338 O PHE A 19 2.562 -13.074 -0.962 1.00 0.00 O ATOM 339 CB PHE A 19 5.190 -12.073 0.489 1.00 0.00 C ATOM 340 CG PHE A 19 4.082 -11.236 1.059 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.973 -11.831 1.639 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.150 -9.853 1.017 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.952 -11.063 2.165 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.132 -9.079 1.540 1.00 0.00 C ATOM 345 CZ PHE A 19 2.033 -9.684 2.115 1.00 0.00 C ATOM 0 H PHE A 19 3.786 -10.989 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 19 5.779 -13.130 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.361 -12.928 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.110 -11.488 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.906 -12.908 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.009 -9.374 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.093 -11.539 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.196 -8.002 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.237 -9.081 2.526 1.00 0.00 H new ATOM 355 N ILE A 20 3.983 -14.816 -0.872 1.00 0.00 N ATOM 356 CA ILE A 20 2.923 -15.815 -0.864 1.00 0.00 C ATOM 357 C ILE A 20 2.403 -16.049 0.547 1.00 0.00 C ATOM 358 O ILE A 20 3.166 -16.031 1.514 1.00 0.00 O ATOM 359 CB ILE A 20 3.399 -17.162 -1.445 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.264 -16.945 -2.686 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.206 -18.038 -1.784 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.996 -18.190 -3.135 1.00 0.00 C ATOM 0 H ILE A 20 4.927 -15.200 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 20 2.123 -15.422 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 20 4.004 -17.664 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.634 -16.590 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.991 -16.160 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.555 -18.986 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.624 -18.225 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.581 -17.533 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.590 -17.963 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.652 -18.534 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.274 -18.971 -3.373 1.00 0.00 H new ATOM 374 N ARG A 21 1.099 -16.273 0.658 1.00 0.00 N ATOM 375 CA ARG A 21 0.475 -16.516 1.952 1.00 0.00 C ATOM 376 C ARG A 21 0.995 -17.818 2.561 1.00 0.00 C ATOM 377 O ARG A 21 0.919 -18.874 1.932 1.00 0.00 O ATOM 378 CB ARG A 21 -1.045 -16.574 1.800 1.00 0.00 C ATOM 379 CG ARG A 21 -1.779 -15.598 2.705 1.00 0.00 C ATOM 380 CD ARG A 21 -3.206 -16.051 2.964 1.00 0.00 C ATOM 381 NE ARG A 21 -3.650 -15.719 4.317 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.902 -15.865 4.741 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.837 -16.334 3.925 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.221 -15.541 5.987 1.00 0.00 N ATOM 0 H ARG A 21 0.454 -16.291 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 21 0.732 -15.695 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.307 -16.364 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.386 -17.586 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.247 -15.506 3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.787 -14.609 2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.872 -15.583 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.277 -17.128 2.813 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.960 -15.354 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.598 -16.585 2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.795 -16.443 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.506 -15.180 6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.181 -15.653 6.313 1.00 0.00 H new ATOM 398 N PRO A 22 1.534 -17.763 3.796 1.00 0.00 N ATOM 399 CA PRO A 22 2.069 -18.941 4.486 1.00 0.00 C ATOM 400 C PRO A 22 1.221 -20.193 4.271 1.00 0.00 C ATOM 401 O PRO A 22 1.716 -21.232 3.815 1.00 0.00 O ATOM 402 CB PRO A 22 2.030 -18.514 5.950 1.00 0.00 C ATOM 403 CG PRO A 22 2.264 -17.042 5.913 1.00 0.00 C ATOM 404 CD PRO A 22 1.664 -16.545 4.622 1.00 0.00 C ATOM 0 HA PRO A 22 3.059 -19.217 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.070 -18.752 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.797 -19.024 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.800 -16.554 6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.330 -16.817 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.697 -16.070 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.305 -15.804 4.143 1.00 0.00 H new ATOM 412 N ALA A 23 -0.059 -20.076 4.595 1.00 0.00 N ATOM 413 CA ALA A 23 -1.000 -21.177 4.453 1.00 0.00 C ATOM 414 C ALA A 23 -0.835 -21.886 3.121 1.00 0.00 C ATOM 415 O ALA A 23 -0.593 -23.089 3.073 1.00 0.00 O ATOM 416 CB ALA A 23 -2.426 -20.665 4.599 1.00 0.00 C ATOM 0 H ALA A 23 -0.473 -19.219 4.962 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.791 -21.899 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.124 -21.496 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.551 -20.211 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.626 -19.921 3.828 1.00 0.00 H new ATOM 422 N ASP A 24 -0.983 -21.123 2.050 1.00 0.00 N ATOM 423 CA ASP A 24 -0.881 -21.645 0.687 1.00 0.00 C ATOM 424 C ASP A 24 0.511 -22.187 0.358 1.00 0.00 C ATOM 425 O ASP A 24 0.648 -23.146 -0.404 1.00 0.00 O ATOM 426 CB ASP A 24 -1.255 -20.544 -0.309 1.00 0.00 C ATOM 427 CG ASP A 24 -2.536 -20.850 -1.062 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.308 -21.712 -0.596 1.00 0.00 O ATOM 429 OD2 ASP A 24 -2.766 -20.225 -2.119 1.00 0.00 O ATOM 0 H ASP A 24 -1.178 -20.123 2.096 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.573 -22.483 0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.368 -19.600 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.441 -20.412 -1.022 1.00 0.00 H new ATOM 434 N GLN A 25 1.539 -21.557 0.908 1.00 0.00 N ATOM 435 CA GLN A 25 2.920 -21.959 0.642 1.00 0.00 C ATOM 436 C GLN A 25 3.176 -23.429 0.946 1.00 0.00 C ATOM 437 O GLN A 25 3.741 -24.149 0.126 1.00 0.00 O ATOM 438 CB GLN A 25 3.898 -21.101 1.446 1.00 0.00 C ATOM 439 CG GLN A 25 3.504 -19.641 1.530 1.00 0.00 C ATOM 440 CD GLN A 25 4.698 -18.706 1.512 1.00 0.00 C ATOM 441 OE1 GLN A 25 4.832 -17.836 2.370 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.572 -18.884 0.529 1.00 0.00 N ATOM 0 H GLN A 25 1.447 -20.764 1.543 1.00 0.00 H new ATOM 0 HA GLN A 25 3.081 -21.807 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.976 -21.505 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.888 -21.175 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.846 -19.399 0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.933 -19.476 2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.420 -19.619 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.395 -18.286 0.464 1.00 0.00 H new ATOM 451 N TYR A 26 2.800 -23.861 2.141 1.00 0.00 N ATOM 452 CA TYR A 26 3.047 -25.250 2.544 1.00 0.00 C ATOM 453 C TYR A 26 1.925 -26.204 2.146 1.00 0.00 C ATOM 454 O TYR A 26 2.189 -27.336 1.739 1.00 0.00 O ATOM 455 CB TYR A 26 3.294 -25.351 4.053 1.00 0.00 C ATOM 456 CG TYR A 26 2.585 -24.300 4.869 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.246 -24.442 5.207 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.258 -23.167 5.304 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.601 -23.483 5.960 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.619 -22.202 6.055 1.00 0.00 C ATOM 461 CZ TYR A 26 1.289 -22.364 6.381 1.00 0.00 C ATOM 462 OH TYR A 26 0.648 -21.407 7.133 1.00 0.00 O ATOM 0 H TYR A 26 2.331 -23.287 2.842 1.00 0.00 H new ATOM 0 HA TYR A 26 3.942 -25.558 2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.977 -26.336 4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.365 -25.278 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.702 -25.315 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.300 -23.038 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.440 -23.608 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.157 -21.326 6.385 1.00 0.00 H new ATOM 0 HH TYR A 26 1.312 -20.817 7.546 1.00 0.00 H new ATOM 472 N LYS A 27 0.680 -25.773 2.286 1.00 0.00 N ATOM 473 CA LYS A 27 -0.452 -26.637 1.953 1.00 0.00 C ATOM 474 C LYS A 27 -0.407 -27.090 0.498 1.00 0.00 C ATOM 475 O LYS A 27 -0.831 -28.200 0.178 1.00 0.00 O ATOM 476 CB LYS A 27 -1.780 -25.942 2.243 1.00 0.00 C ATOM 477 CG LYS A 27 -1.987 -24.665 1.458 1.00 0.00 C ATOM 478 CD LYS A 27 -3.039 -23.783 2.114 1.00 0.00 C ATOM 479 CE LYS A 27 -4.423 -24.049 1.544 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.380 -22.956 1.873 1.00 0.00 N ATOM 0 H LYS A 27 0.426 -24.844 2.623 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.374 -27.521 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.595 -26.630 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.836 -25.716 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.045 -24.121 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.293 -24.906 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.047 -23.962 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.779 -22.735 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.355 -24.158 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.802 -24.993 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.311 -23.176 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.465 -22.868 2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.032 -22.059 1.477 1.00 0.00 H new ATOM 494 N ASP A 28 0.105 -26.238 -0.383 1.00 0.00 N ATOM 495 CA ASP A 28 0.186 -26.586 -1.798 1.00 0.00 C ATOM 496 C ASP A 28 1.204 -25.716 -2.534 1.00 0.00 C ATOM 497 O ASP A 28 1.102 -24.489 -2.530 1.00 0.00 O ATOM 498 CB ASP A 28 -1.190 -26.443 -2.452 1.00 0.00 C ATOM 499 CG ASP A 28 -1.961 -27.750 -2.468 1.00 0.00 C ATOM 500 OD1 ASP A 28 -1.346 -28.798 -2.761 1.00 0.00 O ATOM 501 OD2 ASP A 28 -3.176 -27.724 -2.187 1.00 0.00 O ATOM 0 H ASP A 28 0.466 -25.313 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 28 0.518 -27.622 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.768 -25.690 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.068 -26.084 -3.474 1.00 0.00 H new ATOM 506 N PRO A 29 2.202 -26.343 -3.189 1.00 0.00 N ATOM 507 CA PRO A 29 3.231 -25.618 -3.939 1.00 0.00 C ATOM 508 C PRO A 29 2.693 -25.038 -5.242 1.00 0.00 C ATOM 509 O PRO A 29 3.215 -24.050 -5.756 1.00 0.00 O ATOM 510 CB PRO A 29 4.282 -26.688 -4.223 1.00 0.00 C ATOM 511 CG PRO A 29 3.512 -27.957 -4.259 1.00 0.00 C ATOM 512 CD PRO A 29 2.401 -27.803 -3.257 1.00 0.00 C ATOM 0 HA PRO A 29 3.616 -24.762 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.791 -26.504 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.048 -26.709 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.113 -28.142 -5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.148 -28.806 -4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.495 -28.317 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.675 -28.217 -2.287 1.00 0.00 H new ATOM 520 N GLN A 30 1.643 -25.658 -5.771 1.00 0.00 N ATOM 521 CA GLN A 30 1.028 -25.200 -7.010 1.00 0.00 C ATOM 522 C GLN A 30 -0.121 -24.246 -6.713 1.00 0.00 C ATOM 523 O GLN A 30 -0.254 -23.197 -7.343 1.00 0.00 O ATOM 524 CB GLN A 30 0.521 -26.391 -7.826 1.00 0.00 C ATOM 525 CG GLN A 30 1.578 -27.005 -8.729 1.00 0.00 C ATOM 526 CD GLN A 30 1.131 -28.319 -9.338 1.00 0.00 C ATOM 527 OE1 GLN A 30 1.325 -29.386 -8.756 1.00 0.00 O ATOM 528 NE2 GLN A 30 0.528 -28.250 -10.520 1.00 0.00 N ATOM 0 H GLN A 30 1.200 -26.480 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 30 1.782 -24.670 -7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.149 -27.156 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.323 -26.070 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.822 -26.303 -9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.491 -27.166 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.387 -27.345 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.206 -29.102 -10.979 1.00 0.00 H new ATOM 537 N ASN A 31 -0.940 -24.619 -5.738 1.00 0.00 N ATOM 538 CA ASN A 31 -2.078 -23.803 -5.334 1.00 0.00 C ATOM 539 C ASN A 31 -1.659 -22.794 -4.271 1.00 0.00 C ATOM 540 O ASN A 31 -2.245 -22.736 -3.190 1.00 0.00 O ATOM 541 CB ASN A 31 -3.202 -24.691 -4.793 1.00 0.00 C ATOM 542 CG ASN A 31 -4.151 -25.153 -5.882 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.113 -24.461 -6.217 1.00 0.00 O ATOM 544 ND2 ASN A 31 -3.883 -26.327 -6.440 1.00 0.00 N ATOM 0 H ASN A 31 -0.837 -25.486 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.442 -23.263 -6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.768 -25.561 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.762 -24.142 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.486 -26.690 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.074 -26.866 -6.130 1.00 0.00 H new ATOM 551 N LYS A 32 -0.634 -22.005 -4.580 1.00 0.00 N ATOM 552 CA LYS A 32 -0.133 -21.009 -3.639 1.00 0.00 C ATOM 553 C LYS A 32 -0.148 -19.607 -4.247 1.00 0.00 C ATOM 554 O LYS A 32 0.900 -18.989 -4.436 1.00 0.00 O ATOM 555 CB LYS A 32 1.284 -21.366 -3.183 1.00 0.00 C ATOM 556 CG LYS A 32 2.127 -22.016 -4.264 1.00 0.00 C ATOM 557 CD LYS A 32 2.520 -21.014 -5.337 1.00 0.00 C ATOM 558 CE LYS A 32 3.796 -21.432 -6.052 1.00 0.00 C ATOM 559 NZ LYS A 32 3.513 -22.044 -7.381 1.00 0.00 N ATOM 0 H LYS A 32 -0.136 -22.036 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.797 -21.011 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.785 -20.461 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.222 -22.040 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.024 -22.446 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.571 -22.837 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.711 -20.919 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.660 -20.032 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.441 -20.563 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.342 -22.144 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.353 -21.959 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.275 -23.049 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.713 -21.551 -7.827 1.00 0.00 H new ATOM 573 N LYS A 33 -1.342 -19.105 -4.543 1.00 0.00 N ATOM 574 CA LYS A 33 -1.488 -17.769 -5.120 1.00 0.00 C ATOM 575 C LYS A 33 -0.676 -16.748 -4.325 1.00 0.00 C ATOM 576 O LYS A 33 -0.576 -16.838 -3.101 1.00 0.00 O ATOM 577 CB LYS A 33 -2.962 -17.359 -5.146 1.00 0.00 C ATOM 578 CG LYS A 33 -3.682 -17.759 -6.425 1.00 0.00 C ATOM 579 CD LYS A 33 -4.520 -19.014 -6.228 1.00 0.00 C ATOM 580 CE LYS A 33 -4.058 -20.145 -7.135 1.00 0.00 C ATOM 581 NZ LYS A 33 -3.913 -21.427 -6.393 1.00 0.00 N ATOM 0 H LYS A 33 -2.222 -19.599 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.110 -17.795 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.472 -17.811 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.032 -16.278 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.323 -16.941 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.952 -17.929 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.459 -19.333 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.567 -18.789 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.773 -20.274 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.104 -19.879 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.967 -22.223 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.994 -21.445 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.677 -21.511 -5.692 1.00 0.00 H new ATOM 595 N LYS A 34 -0.088 -15.785 -5.028 1.00 0.00 N ATOM 596 CA LYS A 34 0.725 -14.761 -4.383 1.00 0.00 C ATOM 597 C LYS A 34 -0.072 -13.485 -4.136 1.00 0.00 C ATOM 598 O LYS A 34 -1.078 -13.227 -4.795 1.00 0.00 O ATOM 599 CB LYS A 34 1.954 -14.445 -5.232 1.00 0.00 C ATOM 600 CG LYS A 34 3.227 -14.314 -4.409 1.00 0.00 C ATOM 601 CD LYS A 34 4.460 -14.815 -5.154 1.00 0.00 C ATOM 602 CE LYS A 34 4.209 -16.129 -5.882 1.00 0.00 C ATOM 603 NZ LYS A 34 5.399 -17.021 -5.845 1.00 0.00 N ATOM 0 H LYS A 34 -0.159 -15.693 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 34 1.043 -15.155 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.088 -15.231 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.783 -13.517 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.372 -13.269 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.115 -14.875 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.777 -14.060 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.279 -14.946 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.359 -16.639 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.941 -15.924 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.096 -17.996 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.884 -16.991 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.050 -16.700 -5.100 1.00 0.00 H new ATOM 617 N GLY A 35 0.398 -12.686 -3.182 1.00 0.00 N ATOM 618 CA GLY A 35 -0.264 -11.436 -2.858 1.00 0.00 C ATOM 619 C GLY A 35 0.707 -10.273 -2.822 1.00 0.00 C ATOM 620 O GLY A 35 1.775 -10.367 -2.215 1.00 0.00 O ATOM 0 H GLY A 35 1.230 -12.884 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.042 -11.236 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.757 -11.527 -1.890 1.00 0.00 H new ATOM 624 N TRP A 36 0.345 -9.177 -3.479 1.00 0.00 N ATOM 625 CA TRP A 36 1.203 -7.999 -3.525 1.00 0.00 C ATOM 626 C TRP A 36 0.781 -6.968 -2.485 1.00 0.00 C ATOM 627 O TRP A 36 -0.397 -6.627 -2.375 1.00 0.00 O ATOM 628 CB TRP A 36 1.173 -7.381 -4.922 1.00 0.00 C ATOM 629 CG TRP A 36 1.625 -8.331 -5.986 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.906 -8.551 -6.395 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.796 -9.197 -6.769 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.928 -9.505 -7.384 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.644 -9.917 -7.632 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.581 -9.435 -6.823 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.161 -10.858 -8.536 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.060 -10.368 -7.723 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.192 -11.072 -8.568 1.00 0.00 C ATOM 0 H TRP A 36 -0.535 -9.080 -3.986 1.00 0.00 H new ATOM 0 HA TRP A 36 2.221 -8.313 -3.295 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.159 -7.048 -5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.810 -6.496 -4.937 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.777 -8.049 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.763 -9.850 -7.857 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.258 -8.900 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.829 -11.400 -9.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.122 -10.558 -7.776 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.597 -11.797 -9.258 1.00 0.00 H new ATOM 648 N TRP A 37 1.751 -6.479 -1.722 1.00 0.00 N ATOM 649 CA TRP A 37 1.483 -5.489 -0.686 1.00 0.00 C ATOM 650 C TRP A 37 2.168 -4.164 -1.003 1.00 0.00 C ATOM 651 O TRP A 37 3.396 -4.088 -1.071 1.00 0.00 O ATOM 652 CB TRP A 37 1.958 -6.012 0.673 1.00 0.00 C ATOM 653 CG TRP A 37 1.698 -5.068 1.808 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.482 -4.684 2.296 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.681 -4.393 2.602 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.649 -3.811 3.345 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.990 -3.617 3.552 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.079 -4.369 2.603 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.649 -2.828 4.493 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.732 -3.586 3.535 1.00 0.00 C ATOM 661 CH2 TRP A 37 4.018 -2.825 4.469 1.00 0.00 C ATOM 0 H TRP A 37 2.731 -6.752 -1.801 1.00 0.00 H new ATOM 0 HA TRP A 37 0.407 -5.316 -0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.462 -6.960 0.880 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.027 -6.216 0.620 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.472 -5.017 1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.103 -3.378 3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.639 -4.953 1.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.100 -2.241 5.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.812 -3.560 3.544 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.558 -2.223 5.185 1.00 0.00 H new ATOM 672 N TYR A 38 1.364 -3.119 -1.185 1.00 0.00 N ATOM 673 CA TYR A 38 1.884 -1.788 -1.481 1.00 0.00 C ATOM 674 C TYR A 38 1.670 -0.866 -0.287 1.00 0.00 C ATOM 675 O TYR A 38 0.789 -1.104 0.539 1.00 0.00 O ATOM 676 CB TYR A 38 1.193 -1.194 -2.711 1.00 0.00 C ATOM 677 CG TYR A 38 1.263 -2.065 -3.947 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.677 -3.324 -3.967 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.905 -1.621 -5.097 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.729 -4.116 -5.097 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.962 -2.408 -6.231 1.00 0.00 C ATOM 682 CZ TYR A 38 1.372 -3.654 -6.226 1.00 0.00 C ATOM 683 OH TYR A 38 1.426 -4.441 -7.354 1.00 0.00 O ATOM 0 H TYR A 38 0.347 -3.170 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 38 2.951 -1.879 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.146 -1.008 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.645 -0.228 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.173 -3.689 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.367 -0.645 -5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.268 -5.093 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.466 -2.049 -7.116 1.00 0.00 H new ATOM 0 HH TYR A 38 1.914 -3.968 -8.060 1.00 0.00 H new ATOM 693 N ALA A 39 2.471 0.190 -0.196 1.00 0.00 N ATOM 694 CA ALA A 39 2.346 1.133 0.907 1.00 0.00 C ATOM 695 C ALA A 39 3.194 2.377 0.689 1.00 0.00 C ATOM 696 O ALA A 39 4.407 2.295 0.503 1.00 0.00 O ATOM 697 CB ALA A 39 2.722 0.455 2.215 1.00 0.00 C ATOM 0 H ALA A 39 3.207 0.413 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 39 1.306 1.455 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.626 1.167 3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.058 -0.392 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.752 0.103 2.159 1.00 0.00 H new ATOM 703 N HIS A 40 2.540 3.531 0.741 1.00 0.00 N ATOM 704 CA HIS A 40 3.220 4.806 0.576 1.00 0.00 C ATOM 705 C HIS A 40 3.526 5.394 1.947 1.00 0.00 C ATOM 706 O HIS A 40 2.696 6.088 2.537 1.00 0.00 O ATOM 707 CB HIS A 40 2.355 5.775 -0.237 1.00 0.00 C ATOM 708 CG HIS A 40 2.864 7.184 -0.244 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.110 8.256 -0.672 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.061 7.696 0.135 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.819 9.365 -0.556 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.005 9.053 -0.068 1.00 0.00 N ATOM 0 H HIS A 40 1.535 3.608 0.897 1.00 0.00 H new ATOM 0 HA HIS A 40 4.152 4.647 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.293 5.416 -1.264 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.342 5.767 0.165 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.154 8.202 -1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.901 7.140 0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.485 10.358 -0.816 1.00 0.00 H new ATOM 721 N PHE A 41 4.717 5.098 2.455 1.00 0.00 N ATOM 722 CA PHE A 41 5.123 5.584 3.764 1.00 0.00 C ATOM 723 C PHE A 41 5.468 7.068 3.715 1.00 0.00 C ATOM 724 O PHE A 41 5.838 7.601 2.670 1.00 0.00 O ATOM 725 CB PHE A 41 6.322 4.791 4.293 1.00 0.00 C ATOM 726 CG PHE A 41 6.018 3.358 4.635 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.618 2.464 3.655 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.140 2.905 5.940 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.344 1.148 3.970 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.867 1.589 6.260 1.00 0.00 C ATOM 731 CZ PHE A 41 5.468 0.709 5.273 1.00 0.00 C ATOM 0 H PHE A 41 5.415 4.525 1.980 1.00 0.00 H new ATOM 0 HA PHE A 41 4.281 5.444 4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.115 4.813 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.708 5.290 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.519 2.800 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.452 3.589 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.032 0.462 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.965 1.249 7.280 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.253 -0.320 5.520 1.00 0.00 H new ATOM 741 N ASP A 42 5.362 7.720 4.866 1.00 0.00 N ATOM 742 CA ASP A 42 5.676 9.134 4.993 1.00 0.00 C ATOM 743 C ASP A 42 6.707 9.310 6.096 1.00 0.00 C ATOM 744 O ASP A 42 6.415 9.073 7.270 1.00 0.00 O ATOM 745 CB ASP A 42 4.413 9.938 5.309 1.00 0.00 C ATOM 746 CG ASP A 42 4.308 11.201 4.479 1.00 0.00 C ATOM 747 OD1 ASP A 42 5.205 12.061 4.590 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.326 11.331 3.717 1.00 0.00 O ATOM 0 H ASP A 42 5.056 7.283 5.735 1.00 0.00 H new ATOM 0 HA ASP A 42 6.081 9.503 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.536 9.316 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.408 10.201 6.367 1.00 0.00 H new ATOM 753 N GLY A 43 7.924 9.683 5.720 1.00 0.00 N ATOM 754 CA GLY A 43 8.970 9.827 6.713 1.00 0.00 C ATOM 755 C GLY A 43 9.196 8.518 7.447 1.00 0.00 C ATOM 756 O GLY A 43 9.271 7.465 6.815 1.00 0.00 O ATOM 0 H GLY A 43 8.203 9.886 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.895 10.144 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.698 10.607 7.425 1.00 0.00 H new ATOM 760 N PRO A 44 9.295 8.539 8.784 1.00 0.00 N ATOM 761 CA PRO A 44 9.497 7.323 9.574 1.00 0.00 C ATOM 762 C PRO A 44 8.236 6.455 9.630 1.00 0.00 C ATOM 763 O PRO A 44 8.304 5.268 9.946 1.00 0.00 O ATOM 764 CB PRO A 44 9.844 7.846 10.978 1.00 0.00 C ATOM 765 CG PRO A 44 10.022 9.324 10.834 1.00 0.00 C ATOM 766 CD PRO A 44 9.216 9.730 9.635 1.00 0.00 C ATOM 0 HA PRO A 44 10.271 6.688 9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.049 7.616 11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.753 7.378 11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.680 9.846 11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.074 9.578 10.700 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.187 9.972 9.900 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.634 10.609 9.144 1.00 0.00 H new ATOM 774 N TRP A 45 7.087 7.062 9.343 1.00 0.00 N ATOM 775 CA TRP A 45 5.806 6.361 9.384 1.00 0.00 C ATOM 776 C TRP A 45 5.191 6.232 7.990 1.00 0.00 C ATOM 777 O TRP A 45 5.891 6.335 6.985 1.00 0.00 O ATOM 778 CB TRP A 45 4.862 7.112 10.320 1.00 0.00 C ATOM 779 CG TRP A 45 5.600 7.871 11.378 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.269 9.049 11.226 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.771 7.484 12.739 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.844 9.420 12.417 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.546 8.476 13.365 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.336 6.395 13.485 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.895 8.407 14.711 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.680 6.323 14.822 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.453 7.326 15.424 1.00 0.00 C ATOM 0 H TRP A 45 7.017 8.044 9.078 1.00 0.00 H new ATOM 0 HA TRP A 45 5.970 5.350 9.756 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.251 7.803 9.739 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.181 6.403 10.792 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.337 9.608 10.305 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.401 10.260 12.571 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.740 5.619 13.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.492 9.178 15.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.348 5.481 15.412 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.704 7.244 16.471 1.00 0.00 H new ATOM 798 N ILE A 46 3.880 5.994 7.938 1.00 0.00 N ATOM 799 CA ILE A 46 3.182 5.839 6.664 1.00 0.00 C ATOM 800 C ILE A 46 1.808 6.502 6.685 1.00 0.00 C ATOM 801 O ILE A 46 1.209 6.691 7.745 1.00 0.00 O ATOM 802 CB ILE A 46 3.025 4.348 6.296 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.114 4.174 5.080 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.485 3.570 7.481 1.00 0.00 C ATOM 805 CD1 ILE A 46 2.150 2.780 4.497 1.00 0.00 C ATOM 0 H ILE A 46 3.283 5.905 8.760 1.00 0.00 H new ATOM 0 HA ILE A 46 3.793 6.334 5.910 1.00 0.00 H new ATOM 0 HB ILE A 46 4.008 3.956 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.090 4.414 5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.406 4.889 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.379 2.520 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.175 3.659 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.513 3.971 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.481 2.727 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.166 2.544 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.829 2.062 5.251 1.00 0.00 H new ATOM 817 N ALA A 47 1.320 6.858 5.498 1.00 0.00 N ATOM 818 CA ALA A 47 0.022 7.504 5.363 1.00 0.00 C ATOM 819 C ALA A 47 -0.868 6.804 4.333 1.00 0.00 C ATOM 820 O ALA A 47 -2.078 7.032 4.303 1.00 0.00 O ATOM 821 CB ALA A 47 0.205 8.968 4.991 1.00 0.00 C ATOM 0 H ALA A 47 1.808 6.708 4.615 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.481 7.432 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.771 9.443 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.777 9.473 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.740 9.039 4.044 1.00 0.00 H new ATOM 827 N ARG A 48 -0.280 5.958 3.484 1.00 0.00 N ATOM 828 CA ARG A 48 -1.057 5.254 2.468 1.00 0.00 C ATOM 829 C ARG A 48 -0.636 3.792 2.367 1.00 0.00 C ATOM 830 O ARG A 48 0.553 3.476 2.396 1.00 0.00 O ATOM 831 CB ARG A 48 -0.895 5.940 1.110 1.00 0.00 C ATOM 832 CG ARG A 48 -2.183 6.544 0.577 1.00 0.00 C ATOM 833 CD ARG A 48 -2.071 6.876 -0.902 1.00 0.00 C ATOM 834 NE ARG A 48 -3.217 7.643 -1.378 1.00 0.00 N ATOM 835 CZ ARG A 48 -3.308 8.163 -2.601 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.322 7.998 -3.474 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.387 8.848 -2.952 1.00 0.00 N ATOM 0 H ARG A 48 0.718 5.747 3.481 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.106 5.286 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.144 6.725 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.518 5.215 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.006 5.846 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.421 7.448 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.157 7.443 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.989 5.953 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.996 7.790 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.490 7.471 -3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.397 8.398 -4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.148 8.977 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.456 9.246 -3.889 1.00 0.00 H new ATOM 851 N GLN A 49 -1.618 2.906 2.243 1.00 0.00 N ATOM 852 CA GLN A 49 -1.343 1.479 2.134 1.00 0.00 C ATOM 853 C GLN A 49 -2.432 0.765 1.339 1.00 0.00 C ATOM 854 O GLN A 49 -3.614 0.859 1.662 1.00 0.00 O ATOM 855 CB GLN A 49 -1.215 0.850 3.523 1.00 0.00 C ATOM 856 CG GLN A 49 -0.934 -0.644 3.493 1.00 0.00 C ATOM 857 CD GLN A 49 -1.147 -1.305 4.841 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.249 -1.324 5.684 1.00 0.00 O ATOM 859 NE2 GLN A 49 -2.337 -1.853 5.052 1.00 0.00 N ATOM 0 H GLN A 49 -2.608 3.150 2.216 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.399 1.364 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.414 1.351 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.136 1.027 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.581 -1.117 2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.093 -0.810 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.052 -1.814 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.536 -2.313 5.940 1.00 0.00 H new ATOM 868 N MET A 50 -2.019 0.046 0.303 1.00 0.00 N ATOM 869 CA MET A 50 -2.948 -0.698 -0.538 1.00 0.00 C ATOM 870 C MET A 50 -2.537 -2.164 -0.605 1.00 0.00 C ATOM 871 O MET A 50 -1.497 -2.501 -1.169 1.00 0.00 O ATOM 872 CB MET A 50 -2.991 -0.099 -1.945 1.00 0.00 C ATOM 873 CG MET A 50 -3.988 -0.782 -2.867 1.00 0.00 C ATOM 874 SD MET A 50 -3.206 -1.537 -4.306 1.00 0.00 S ATOM 875 CE MET A 50 -2.244 -0.160 -4.930 1.00 0.00 C ATOM 0 H MET A 50 -1.041 -0.038 0.024 1.00 0.00 H new ATOM 0 HA MET A 50 -3.944 -0.630 -0.100 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.242 0.959 -1.873 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.997 -0.162 -2.388 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.527 -1.547 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.726 -0.052 -3.201 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.904 -0.383 -5.941 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.861 0.738 -4.944 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.381 0.003 -4.284 1.00 0.00 H new ATOM 885 N GLU A 51 -3.352 -3.030 -0.014 1.00 0.00 N ATOM 886 CA GLU A 51 -3.057 -4.462 0.003 1.00 0.00 C ATOM 887 C GLU A 51 -3.846 -5.212 -1.065 1.00 0.00 C ATOM 888 O GLU A 51 -5.058 -5.037 -1.198 1.00 0.00 O ATOM 889 CB GLU A 51 -3.360 -5.053 1.383 1.00 0.00 C ATOM 890 CG GLU A 51 -3.057 -4.112 2.538 1.00 0.00 C ATOM 891 CD GLU A 51 -2.900 -4.839 3.858 1.00 0.00 C ATOM 892 OE1 GLU A 51 -1.886 -5.549 4.027 1.00 0.00 O ATOM 893 OE2 GLU A 51 -3.790 -4.701 4.722 1.00 0.00 O ATOM 0 H GLU A 51 -4.218 -2.770 0.458 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.996 -4.580 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.412 -5.334 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.780 -5.967 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.143 -3.560 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.859 -3.379 2.625 1.00 0.00 H new ATOM 900 N LEU A 52 -3.146 -6.060 -1.813 1.00 0.00 N ATOM 901 CA LEU A 52 -3.769 -6.859 -2.863 1.00 0.00 C ATOM 902 C LEU A 52 -3.431 -8.333 -2.675 1.00 0.00 C ATOM 903 O LEU A 52 -2.330 -8.774 -3.007 1.00 0.00 O ATOM 904 CB LEU A 52 -3.301 -6.391 -4.244 1.00 0.00 C ATOM 905 CG LEU A 52 -3.368 -4.882 -4.476 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.265 -4.437 -5.426 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.734 -4.487 -5.017 1.00 0.00 C ATOM 0 H LEU A 52 -2.143 -6.212 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.849 -6.730 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.273 -6.720 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.907 -6.887 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.219 -4.379 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.329 -3.360 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.294 -4.686 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.381 -4.947 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.764 -3.409 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.913 -4.999 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.505 -4.770 -4.300 1.00 0.00 H new ATOM 919 N HIS A 53 -4.378 -9.092 -2.134 1.00 0.00 N ATOM 920 CA HIS A 53 -4.170 -10.516 -1.896 1.00 0.00 C ATOM 921 C HIS A 53 -5.266 -11.354 -2.549 1.00 0.00 C ATOM 922 O HIS A 53 -6.405 -10.910 -2.682 1.00 0.00 O ATOM 923 CB HIS A 53 -4.127 -10.801 -0.395 1.00 0.00 C ATOM 924 CG HIS A 53 -3.143 -9.953 0.349 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.207 -10.474 1.218 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.951 -8.612 0.352 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.484 -9.489 1.723 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.915 -8.351 1.214 1.00 0.00 N ATOM 0 H HIS A 53 -5.295 -8.746 -1.853 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.216 -10.792 -2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.120 -10.643 0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.879 -11.851 -0.240 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.091 -11.464 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.509 -7.884 -0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.677 -9.598 2.432 1.00 0.00 H new ATOM 937 N PRO A 54 -4.932 -12.592 -2.957 1.00 0.00 N ATOM 938 CA PRO A 54 -5.891 -13.501 -3.592 1.00 0.00 C ATOM 939 C PRO A 54 -7.056 -13.844 -2.671 1.00 0.00 C ATOM 940 O PRO A 54 -8.177 -14.070 -3.125 1.00 0.00 O ATOM 941 CB PRO A 54 -5.063 -14.754 -3.896 1.00 0.00 C ATOM 942 CG PRO A 54 -3.889 -14.666 -2.987 1.00 0.00 C ATOM 943 CD PRO A 54 -3.601 -13.202 -2.825 1.00 0.00 C ATOM 0 HA PRO A 54 -6.345 -13.055 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.638 -15.662 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.753 -14.779 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.105 -15.130 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.030 -15.189 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.150 -12.983 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.912 -12.838 -3.587 1.00 0.00 H new ATOM 951 N ASP A 55 -6.779 -13.876 -1.372 1.00 0.00 N ATOM 952 CA ASP A 55 -7.800 -14.186 -0.379 1.00 0.00 C ATOM 953 C ASP A 55 -8.427 -12.912 0.184 1.00 0.00 C ATOM 954 O ASP A 55 -9.415 -12.970 0.918 1.00 0.00 O ATOM 955 CB ASP A 55 -7.200 -15.017 0.756 1.00 0.00 C ATOM 956 CG ASP A 55 -6.635 -16.338 0.270 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.246 -16.950 -0.631 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.583 -16.763 0.792 1.00 0.00 O ATOM 0 H ASP A 55 -5.855 -13.691 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.582 -14.763 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.411 -14.445 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.966 -15.207 1.508 1.00 0.00 H new ATOM 963 N LYS A 56 -7.852 -11.761 -0.158 1.00 0.00 N ATOM 964 CA LYS A 56 -8.360 -10.482 0.316 1.00 0.00 C ATOM 965 C LYS A 56 -8.392 -9.457 -0.818 1.00 0.00 C ATOM 966 O LYS A 56 -7.346 -9.065 -1.335 1.00 0.00 O ATOM 967 CB LYS A 56 -7.496 -9.959 1.467 1.00 0.00 C ATOM 968 CG LYS A 56 -7.332 -10.957 2.606 1.00 0.00 C ATOM 969 CD LYS A 56 -5.886 -11.410 2.757 1.00 0.00 C ATOM 970 CE LYS A 56 -5.319 -11.020 4.113 1.00 0.00 C ATOM 971 NZ LYS A 56 -5.830 -11.897 5.203 1.00 0.00 N ATOM 0 H LYS A 56 -7.033 -11.691 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.378 -10.634 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.511 -9.695 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.941 -9.044 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.670 -10.504 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.967 -11.824 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.828 -12.492 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.280 -10.966 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.231 -11.077 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.578 -9.984 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.420 -11.598 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.866 -11.823 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.561 -12.883 5.010 1.00 0.00 H new ATOM 985 N PRO A 57 -9.597 -9.008 -1.221 1.00 0.00 N ATOM 986 CA PRO A 57 -9.751 -8.026 -2.302 1.00 0.00 C ATOM 987 C PRO A 57 -8.870 -6.797 -2.098 1.00 0.00 C ATOM 988 O PRO A 57 -8.091 -6.733 -1.147 1.00 0.00 O ATOM 989 CB PRO A 57 -11.230 -7.644 -2.226 1.00 0.00 C ATOM 990 CG PRO A 57 -11.896 -8.832 -1.621 1.00 0.00 C ATOM 991 CD PRO A 57 -10.899 -9.423 -0.664 1.00 0.00 C ATOM 0 HA PRO A 57 -9.452 -8.432 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.378 -6.753 -1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.634 -7.424 -3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.811 -8.545 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.177 -9.554 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.041 -9.044 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.986 -10.508 -0.613 1.00 0.00 H new ATOM 999 N PRO A 58 -8.982 -5.800 -2.991 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.188 -4.570 -2.900 1.00 0.00 C ATOM 1001 C PRO A 58 -8.419 -3.825 -1.590 1.00 0.00 C ATOM 1002 O PRO A 58 -9.242 -2.911 -1.520 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.679 -3.729 -4.084 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.308 -4.704 -5.019 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.882 -5.791 -4.156 1.00 0.00 C ATOM 0 HA PRO A 58 -7.119 -4.780 -2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.396 -2.974 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.854 -3.201 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.086 -4.227 -5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.573 -5.106 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.911 -5.577 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.888 -6.753 -4.669 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.686 -4.218 -0.554 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.810 -3.581 0.752 1.00 0.00 C ATOM 1015 C ILE A 59 -7.115 -2.225 0.761 1.00 0.00 C ATOM 1016 O ILE A 59 -5.901 -2.138 0.948 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.217 -4.464 1.869 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.974 -5.788 1.954 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.257 -3.743 3.211 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.268 -6.826 2.795 1.00 0.00 C ATOM 0 H ILE A 59 -7.001 -4.973 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.874 -3.444 0.942 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.175 -4.670 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.965 -5.606 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.118 -6.182 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.833 -4.386 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.677 -2.823 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.290 -3.504 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.859 -7.742 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.287 -7.035 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.148 -6.451 3.811 1.00 0.00 H new ATOM 1032 N LEU A 60 -7.894 -1.169 0.565 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.354 0.185 0.556 1.00 0.00 C ATOM 1034 C LEU A 60 -7.234 0.721 1.978 1.00 0.00 C ATOM 1035 O LEU A 60 -8.219 1.151 2.579 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.239 1.105 -0.286 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.556 0.586 -1.691 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -9.932 1.054 -2.136 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -7.490 1.036 -2.680 1.00 0.00 C ATOM 0 H LEU A 60 -8.901 -1.223 0.410 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.359 0.157 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.177 1.269 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.749 2.075 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.558 -0.504 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.139 0.675 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.685 0.679 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.960 2.144 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.732 0.658 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.454 2.125 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.520 0.648 -2.371 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.020 0.679 2.513 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.758 1.147 3.870 1.00 0.00 C ATOM 1053 C LEU A 61 -5.251 2.586 3.873 1.00 0.00 C ATOM 1054 O LEU A 61 -4.639 3.042 2.907 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.736 0.230 4.551 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.238 -0.477 5.808 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.610 0.543 6.870 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -6.427 -1.371 5.480 1.00 0.00 C ATOM 0 H LEU A 61 -5.197 0.324 2.026 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.696 1.119 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.412 -0.524 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.857 0.820 4.811 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.438 -1.106 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.966 0.027 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.734 1.141 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.397 1.194 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.771 -1.867 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.235 -0.766 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.127 -2.121 4.748 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.508 3.295 4.970 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.075 4.679 5.108 1.00 0.00 C ATOM 1072 C VAL A 62 -4.869 5.035 6.579 1.00 0.00 C ATOM 1073 O VAL A 62 -5.365 4.345 7.467 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.096 5.651 4.479 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.402 5.633 5.256 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.525 7.058 4.412 1.00 0.00 C ATOM 0 H VAL A 62 -6.015 2.931 5.777 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.128 4.779 4.578 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.303 5.320 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.108 6.325 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.819 4.626 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.216 5.935 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.260 7.728 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.285 7.401 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.620 7.055 3.804 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.130 6.111 6.831 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.857 6.543 8.196 1.00 0.00 C ATOM 1088 C ALA A 63 -5.046 7.289 8.795 1.00 0.00 C ATOM 1089 O ALA A 63 -5.896 7.807 8.070 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.608 7.411 8.237 1.00 0.00 C ATOM 0 H ALA A 63 -3.711 6.698 6.110 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.687 5.652 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.417 7.726 9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.756 6.840 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.755 8.290 7.609 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.096 7.338 10.123 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.182 8.019 10.803 1.00 0.00 C ATOM 1098 C GLY A 64 -7.499 7.284 10.670 1.00 0.00 C ATOM 1099 O GLY A 64 -8.039 6.775 11.651 1.00 0.00 O ATOM 0 H GLY A 64 -4.402 6.917 10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.935 8.127 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.288 9.025 10.396 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.015 7.230 9.448 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.275 6.553 9.176 1.00 0.00 C ATOM 1105 C LYS A 65 -9.168 5.063 9.486 1.00 0.00 C ATOM 1106 O LYS A 65 -10.087 4.468 10.049 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.673 6.766 7.716 1.00 0.00 C ATOM 1108 CG LYS A 65 -10.899 5.977 7.284 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.113 6.309 8.136 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.121 5.172 8.138 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.075 5.275 6.999 1.00 0.00 N ATOM 0 H LYS A 65 -7.577 7.649 8.627 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.045 6.977 9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.862 7.827 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.833 6.490 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.119 6.191 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.687 4.910 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.796 6.517 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.586 7.215 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.594 4.219 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.674 5.179 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.746 4.481 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.596 6.173 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.550 5.243 6.102 1.00 0.00 H new ATOM 1125 N ASP A 66 -8.040 4.467 9.114 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.812 3.048 9.353 1.00 0.00 C ATOM 1127 C ASP A 66 -6.431 2.816 9.961 1.00 0.00 C ATOM 1128 O ASP A 66 -5.615 2.072 9.415 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.955 2.261 8.050 1.00 0.00 C ATOM 1130 CG ASP A 66 -9.399 2.138 7.602 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -10.256 2.860 8.153 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.673 1.318 6.700 1.00 0.00 O ATOM 0 H ASP A 66 -7.270 4.945 8.646 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.562 2.696 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.376 2.751 7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.533 1.265 8.183 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.179 3.460 11.095 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.900 3.333 11.785 1.00 0.00 C ATOM 1139 C ASP A 67 -4.744 1.955 12.425 1.00 0.00 C ATOM 1140 O ASP A 67 -3.635 1.544 12.770 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.767 4.423 12.854 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.685 5.432 12.521 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.589 5.009 12.098 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.933 6.646 12.685 1.00 0.00 O ATOM 0 H ASP A 67 -6.846 4.078 11.558 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.109 3.452 11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.721 4.940 12.962 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.544 3.960 13.815 1.00 0.00 H new ATOM 1149 N MET A 68 -5.857 1.244 12.591 1.00 0.00 N ATOM 1150 CA MET A 68 -5.830 -0.081 13.197 1.00 0.00 C ATOM 1151 C MET A 68 -5.471 -1.148 12.170 1.00 0.00 C ATOM 1152 O MET A 68 -4.871 -2.168 12.507 1.00 0.00 O ATOM 1153 CB MET A 68 -7.186 -0.402 13.830 1.00 0.00 C ATOM 1154 CG MET A 68 -7.302 0.046 15.277 1.00 0.00 C ATOM 1155 SD MET A 68 -8.950 0.654 15.686 1.00 0.00 S ATOM 1156 CE MET A 68 -9.107 2.011 14.528 1.00 0.00 C ATOM 0 H MET A 68 -6.785 1.564 12.315 1.00 0.00 H new ATOM 0 HA MET A 68 -5.063 -0.080 13.972 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.973 0.076 13.246 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.358 -1.477 13.776 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.054 -0.789 15.933 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.571 0.831 15.470 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.733 2.790 14.963 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.120 2.419 14.310 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.563 1.651 13.606 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.844 -0.909 10.918 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.559 -1.856 9.848 1.00 0.00 C ATOM 1168 C GLU A 69 -4.308 -1.452 9.070 1.00 0.00 C ATOM 1169 O GLU A 69 -3.659 -2.290 8.444 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.756 -1.962 8.899 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.632 -3.178 9.154 1.00 0.00 C ATOM 1172 CD GLU A 69 -6.847 -4.474 9.161 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -6.504 -4.967 8.065 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -6.573 -4.996 10.262 1.00 0.00 O ATOM 0 H GLU A 69 -6.343 -0.071 10.620 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.377 -2.830 10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.363 -1.062 8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.392 -1.996 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.140 -3.060 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.405 -3.231 8.388 1.00 0.00 H new ATOM 1181 N MET A 70 -3.975 -0.164 9.111 1.00 0.00 N ATOM 1182 CA MET A 70 -2.801 0.346 8.407 1.00 0.00 C ATOM 1183 C MET A 70 -1.533 -0.373 8.860 1.00 0.00 C ATOM 1184 O MET A 70 -1.518 -1.032 9.899 1.00 0.00 O ATOM 1185 CB MET A 70 -2.657 1.852 8.639 1.00 0.00 C ATOM 1186 CG MET A 70 -1.517 2.481 7.855 1.00 0.00 C ATOM 1187 SD MET A 70 -1.742 4.251 7.599 1.00 0.00 S ATOM 1188 CE MET A 70 -1.875 4.319 5.815 1.00 0.00 C ATOM 0 H MET A 70 -4.500 0.544 9.623 1.00 0.00 H new ATOM 0 HA MET A 70 -2.940 0.159 7.342 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.590 2.344 8.366 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.500 2.034 9.702 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.580 2.311 8.385 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.430 1.986 6.888 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.311 5.273 5.519 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.884 4.219 5.372 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.512 3.506 5.466 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.470 -0.239 8.070 1.00 0.00 N ATOM 1199 CA CYS A 71 0.809 -0.876 8.381 1.00 0.00 C ATOM 1200 C CYS A 71 1.201 -0.652 9.840 1.00 0.00 C ATOM 1201 O CYS A 71 1.554 -1.595 10.547 1.00 0.00 O ATOM 1202 CB CYS A 71 1.906 -0.333 7.466 1.00 0.00 C ATOM 1203 SG CYS A 71 3.393 -1.362 7.410 1.00 0.00 S ATOM 0 H CYS A 71 -0.469 0.306 7.208 1.00 0.00 H new ATOM 0 HA CYS A 71 0.695 -1.947 8.217 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.507 -0.234 6.457 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.181 0.667 7.800 1.00 0.00 H new ATOM 0 HG CYS A 71 3.331 -2.159 6.385 1.00 0.00 H new ATOM 1209 N GLU A 72 1.143 0.604 10.280 1.00 0.00 N ATOM 1210 CA GLU A 72 1.497 0.962 11.653 1.00 0.00 C ATOM 1211 C GLU A 72 3.011 0.991 11.837 1.00 0.00 C ATOM 1212 O GLU A 72 3.580 2.009 12.229 1.00 0.00 O ATOM 1213 CB GLU A 72 0.866 -0.017 12.651 1.00 0.00 C ATOM 1214 CG GLU A 72 0.740 0.544 14.057 1.00 0.00 C ATOM 1215 CD GLU A 72 1.168 -0.447 15.121 1.00 0.00 C ATOM 1216 OE1 GLU A 72 2.372 -0.776 15.177 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.299 -0.897 15.898 1.00 0.00 O ATOM 0 H GLU A 72 0.853 1.394 9.703 1.00 0.00 H new ATOM 0 HA GLU A 72 1.105 1.961 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.123 -0.301 12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.466 -0.926 12.684 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.347 1.445 14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.294 0.839 14.235 1.00 0.00 H new ATOM 1224 N LYS A 73 3.654 -0.134 11.549 1.00 0.00 N ATOM 1225 CA LYS A 73 5.104 -0.246 11.678 1.00 0.00 C ATOM 1226 C LYS A 73 5.811 0.829 10.858 1.00 0.00 C ATOM 1227 O LYS A 73 5.244 1.379 9.914 1.00 0.00 O ATOM 1228 CB LYS A 73 5.572 -1.630 11.218 1.00 0.00 C ATOM 1229 CG LYS A 73 4.757 -2.779 11.789 1.00 0.00 C ATOM 1230 CD LYS A 73 5.337 -3.267 13.103 1.00 0.00 C ATOM 1231 CE LYS A 73 4.962 -4.716 13.378 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.113 -4.850 14.594 1.00 0.00 N ATOM 0 H LYS A 73 3.194 -0.984 11.224 1.00 0.00 H new ATOM 0 HA LYS A 73 5.358 -0.107 12.729 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.530 -1.674 10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.616 -1.762 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.727 -2.457 11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.731 -3.600 11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.422 -3.170 13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.977 -2.637 13.916 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.430 -5.123 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.869 -5.308 13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.880 -5.852 14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.629 -4.486 15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.236 -4.306 14.467 1.00 0.00 H new ATOM 1246 N ASN A 74 7.059 1.115 11.217 1.00 0.00 N ATOM 1247 CA ASN A 74 7.847 2.114 10.505 1.00 0.00 C ATOM 1248 C ASN A 74 8.635 1.458 9.375 1.00 0.00 C ATOM 1249 O ASN A 74 8.600 0.239 9.211 1.00 0.00 O ATOM 1250 CB ASN A 74 8.798 2.834 11.466 1.00 0.00 C ATOM 1251 CG ASN A 74 8.066 3.516 12.608 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.542 2.852 13.502 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.022 4.846 12.586 1.00 0.00 N ATOM 0 H ASN A 74 7.545 0.670 11.995 1.00 0.00 H new ATOM 0 HA ASN A 74 7.166 2.850 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.510 2.116 11.873 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.374 3.576 10.913 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.541 5.353 13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.470 5.359 11.826 1.00 0.00 H new ATOM 1260 N LEU A 75 9.339 2.270 8.595 1.00 0.00 N ATOM 1261 CA LEU A 75 10.128 1.766 7.475 1.00 0.00 C ATOM 1262 C LEU A 75 11.111 0.686 7.922 1.00 0.00 C ATOM 1263 O LEU A 75 11.170 -0.396 7.337 1.00 0.00 O ATOM 1264 CB LEU A 75 10.880 2.916 6.802 1.00 0.00 C ATOM 1265 CG LEU A 75 10.514 3.161 5.336 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.002 3.229 5.165 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.168 4.439 4.830 1.00 0.00 C ATOM 0 H LEU A 75 9.380 3.282 8.717 1.00 0.00 H new ATOM 0 HA LEU A 75 9.441 1.316 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.693 3.831 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.950 2.716 6.865 1.00 0.00 H new ATOM 0 HG LEU A 75 10.888 2.325 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.762 3.404 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.557 2.288 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.604 4.044 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.897 4.598 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.825 5.284 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.251 4.351 4.914 1.00 0.00 H new ATOM 1279 N GLU A 76 11.888 0.988 8.956 1.00 0.00 N ATOM 1280 CA GLU A 76 12.874 0.047 9.475 1.00 0.00 C ATOM 1281 C GLU A 76 12.201 -1.134 10.169 1.00 0.00 C ATOM 1282 O GLU A 76 12.725 -2.248 10.167 1.00 0.00 O ATOM 1283 CB GLU A 76 13.819 0.752 10.449 1.00 0.00 C ATOM 1284 CG GLU A 76 13.100 1.505 11.556 1.00 0.00 C ATOM 1285 CD GLU A 76 13.607 1.138 12.938 1.00 0.00 C ATOM 1286 OE1 GLU A 76 13.960 -0.041 13.145 1.00 0.00 O ATOM 1287 OE2 GLU A 76 13.650 2.031 13.811 1.00 0.00 O ATOM 0 H GLU A 76 11.854 1.879 9.452 1.00 0.00 H new ATOM 0 HA GLU A 76 13.447 -0.335 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.484 0.013 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.445 1.450 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.224 2.577 11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.032 1.296 11.498 1.00 0.00 H new ATOM 1294 N GLU A 77 11.043 -0.882 10.768 1.00 0.00 N ATOM 1295 CA GLU A 77 10.304 -1.923 11.476 1.00 0.00 C ATOM 1296 C GLU A 77 9.486 -2.788 10.518 1.00 0.00 C ATOM 1297 O GLU A 77 8.946 -3.820 10.916 1.00 0.00 O ATOM 1298 CB GLU A 77 9.383 -1.297 12.524 1.00 0.00 C ATOM 1299 CG GLU A 77 9.180 -2.168 13.753 1.00 0.00 C ATOM 1300 CD GLU A 77 10.431 -2.276 14.604 1.00 0.00 C ATOM 1301 OE1 GLU A 77 11.529 -1.978 14.087 1.00 0.00 O ATOM 1302 OE2 GLU A 77 10.312 -2.658 15.787 1.00 0.00 O ATOM 0 H GLU A 77 10.595 0.034 10.778 1.00 0.00 H new ATOM 0 HA GLU A 77 11.033 -2.566 11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.798 -0.338 12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.414 -1.094 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.370 -1.757 14.355 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.871 -3.165 13.440 1.00 0.00 H new ATOM 1309 N THR A 78 9.388 -2.366 9.259 1.00 0.00 N ATOM 1310 CA THR A 78 8.627 -3.115 8.268 1.00 0.00 C ATOM 1311 C THR A 78 9.516 -4.111 7.529 1.00 0.00 C ATOM 1312 O THR A 78 9.439 -5.318 7.762 1.00 0.00 O ATOM 1313 CB THR A 78 7.970 -2.162 7.270 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.814 -1.055 6.999 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.637 -1.625 7.745 1.00 0.00 C ATOM 0 H THR A 78 9.824 -1.515 8.905 1.00 0.00 H new ATOM 0 HA THR A 78 7.851 -3.672 8.793 1.00 0.00 H new ATOM 0 HB THR A 78 7.803 -2.755 6.371 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.672 -0.362 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.225 -0.955 6.990 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.949 -2.454 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.776 -1.079 8.678 1.00 0.00 H new ATOM 1323 N GLY A 79 10.357 -3.600 6.636 1.00 0.00 N ATOM 1324 CA GLY A 79 11.244 -4.462 5.878 1.00 0.00 C ATOM 1325 C GLY A 79 11.359 -4.052 4.422 1.00 0.00 C ATOM 1326 O GLY A 79 12.325 -4.408 3.744 1.00 0.00 O ATOM 0 H GLY A 79 10.440 -2.606 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.234 -4.448 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.881 -5.488 5.934 1.00 0.00 H new ATOM 1330 N LEU A 80 10.374 -3.300 3.935 1.00 0.00 N ATOM 1331 CA LEU A 80 10.374 -2.841 2.550 1.00 0.00 C ATOM 1332 C LEU A 80 11.718 -2.215 2.186 1.00 0.00 C ATOM 1333 O LEU A 80 12.153 -2.272 1.036 1.00 0.00 O ATOM 1334 CB LEU A 80 9.248 -1.832 2.323 1.00 0.00 C ATOM 1335 CG LEU A 80 7.844 -2.349 2.650 1.00 0.00 C ATOM 1336 CD1 LEU A 80 6.998 -1.246 3.266 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.175 -2.900 1.399 1.00 0.00 C ATOM 0 H LEU A 80 9.567 -2.996 4.480 1.00 0.00 H new ATOM 0 HA LEU A 80 10.209 -3.705 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.444 -0.948 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.269 -1.514 1.280 1.00 0.00 H new ATOM 0 HG LEU A 80 7.935 -3.157 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.004 -1.633 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.469 -0.897 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.914 -0.417 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.178 -3.263 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.097 -2.111 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.770 -3.721 1.000 1.00 0.00 H new ATOM 1349 N THR A 81 12.375 -1.629 3.180 1.00 0.00 N ATOM 1350 CA THR A 81 13.675 -1.004 2.974 1.00 0.00 C ATOM 1351 C THR A 81 14.776 -2.058 2.973 1.00 0.00 C ATOM 1352 O THR A 81 15.785 -1.921 2.282 1.00 0.00 O ATOM 1353 CB THR A 81 13.945 0.036 4.062 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.866 -0.554 5.348 1.00 0.00 O ATOM 1355 CG2 THR A 81 12.978 1.198 4.031 1.00 0.00 C ATOM 0 H THR A 81 12.028 -1.574 4.138 1.00 0.00 H new ATOM 0 HA THR A 81 13.667 -0.504 2.006 1.00 0.00 H new ATOM 0 HB THR A 81 14.948 0.413 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.043 0.126 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.225 1.899 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.048 1.704 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.962 0.830 4.174 1.00 0.00 H new ATOM 1363 N ARG A 82 14.567 -3.116 3.751 1.00 0.00 N ATOM 1364 CA ARG A 82 15.533 -4.206 3.842 1.00 0.00 C ATOM 1365 C ARG A 82 15.182 -5.333 2.871 1.00 0.00 C ATOM 1366 O ARG A 82 15.792 -6.402 2.903 1.00 0.00 O ATOM 1367 CB ARG A 82 15.588 -4.753 5.271 1.00 0.00 C ATOM 1368 CG ARG A 82 15.499 -3.679 6.344 1.00 0.00 C ATOM 1369 CD ARG A 82 16.814 -2.930 6.494 1.00 0.00 C ATOM 1370 NE ARG A 82 16.780 -1.627 5.835 1.00 0.00 N ATOM 1371 CZ ARG A 82 17.610 -0.628 6.122 1.00 0.00 C ATOM 1372 NH1 ARG A 82 18.543 -0.777 7.055 1.00 0.00 N ATOM 1373 NH2 ARG A 82 17.507 0.525 5.475 1.00 0.00 N ATOM 0 H ARG A 82 13.736 -3.242 4.329 1.00 0.00 H new ATOM 0 HA ARG A 82 16.511 -3.808 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.771 -5.461 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.517 -5.308 5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.705 -2.976 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.229 -4.136 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.036 -2.795 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.622 -3.528 6.073 1.00 0.00 H new ATOM 0 HE ARG A 82 16.078 -1.474 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.626 -1.661 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.176 -0.007 7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.792 0.645 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.143 1.292 5.695 1.00 0.00 H new ATOM 1387 N LYS A 83 14.195 -5.092 2.010 1.00 0.00 N ATOM 1388 CA LYS A 83 13.767 -6.091 1.037 1.00 0.00 C ATOM 1389 C LYS A 83 14.501 -5.918 -0.293 1.00 0.00 C ATOM 1390 O LYS A 83 13.951 -6.204 -1.357 1.00 0.00 O ATOM 1391 CB LYS A 83 12.254 -5.997 0.816 1.00 0.00 C ATOM 1392 CG LYS A 83 11.490 -7.210 1.321 1.00 0.00 C ATOM 1393 CD LYS A 83 10.971 -6.994 2.733 1.00 0.00 C ATOM 1394 CE LYS A 83 9.950 -8.053 3.117 1.00 0.00 C ATOM 1395 NZ LYS A 83 9.013 -7.564 4.166 1.00 0.00 N ATOM 0 H LYS A 83 13.678 -4.214 1.968 1.00 0.00 H new ATOM 0 HA LYS A 83 14.012 -7.076 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.877 -5.106 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.058 -5.871 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.654 -7.419 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.140 -8.085 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.804 -7.018 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.518 -6.005 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.384 -8.349 2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.467 -8.942 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.225 -8.235 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.518 -7.482 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.641 -6.632 3.892 1.00 0.00 H new ATOM 1409 N ARG A 84 15.744 -5.456 -0.227 1.00 0.00 N ATOM 1410 CA ARG A 84 16.550 -5.253 -1.425 1.00 0.00 C ATOM 1411 C ARG A 84 15.870 -4.281 -2.385 1.00 0.00 C ATOM 1412 O ARG A 84 15.516 -4.643 -3.509 1.00 0.00 O ATOM 1413 CB ARG A 84 16.806 -6.591 -2.122 1.00 0.00 C ATOM 1414 CG ARG A 84 18.227 -6.748 -2.636 1.00 0.00 C ATOM 1415 CD ARG A 84 19.197 -7.061 -1.508 1.00 0.00 C ATOM 1416 NE ARG A 84 18.959 -8.382 -0.932 1.00 0.00 N ATOM 1417 CZ ARG A 84 19.765 -8.960 -0.045 1.00 0.00 C ATOM 1418 NH1 ARG A 84 20.862 -8.337 0.369 1.00 0.00 N ATOM 1419 NH2 ARG A 84 19.475 -10.164 0.429 1.00 0.00 N ATOM 0 H ARG A 84 16.216 -5.215 0.644 1.00 0.00 H new ATOM 0 HA ARG A 84 17.504 -4.821 -1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.589 -7.401 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.113 -6.694 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.260 -7.546 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.536 -5.832 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 84 20.219 -7.008 -1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.104 -6.304 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 84 18.126 -8.891 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.090 -7.411 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.477 -8.784 1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.634 -10.647 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.093 -10.607 1.109 1.00 0.00 H new ATOM 1433 N GLY A 85 15.692 -3.041 -1.938 1.00 0.00 N ATOM 1434 CA GLY A 85 15.060 -2.035 -2.769 1.00 0.00 C ATOM 1435 C GLY A 85 13.626 -2.384 -3.119 1.00 0.00 C ATOM 1436 O GLY A 85 13.283 -2.522 -4.294 1.00 0.00 O ATOM 0 H GLY A 85 15.975 -2.716 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.081 -1.076 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.635 -1.914 -3.687 1.00 0.00 H new ATOM 1440 N ALA A 86 12.786 -2.524 -2.099 1.00 0.00 N ATOM 1441 CA ALA A 86 11.381 -2.856 -2.304 1.00 0.00 C ATOM 1442 C ALA A 86 10.576 -1.638 -2.761 1.00 0.00 C ATOM 1443 O ALA A 86 9.384 -1.745 -3.046 1.00 0.00 O ATOM 1444 CB ALA A 86 10.785 -3.430 -1.028 1.00 0.00 C ATOM 0 H ALA A 86 13.054 -2.413 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 86 11.328 -3.606 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.736 -3.674 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.327 -4.333 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.864 -2.695 -0.227 1.00 0.00 H new ATOM 1450 N GLU A 87 11.232 -0.478 -2.828 1.00 0.00 N ATOM 1451 CA GLU A 87 10.570 0.756 -3.246 1.00 0.00 C ATOM 1452 C GLU A 87 9.828 0.569 -4.569 1.00 0.00 C ATOM 1453 O GLU A 87 10.008 -0.436 -5.257 1.00 0.00 O ATOM 1454 CB GLU A 87 11.591 1.886 -3.381 1.00 0.00 C ATOM 1455 CG GLU A 87 12.492 2.043 -2.166 1.00 0.00 C ATOM 1456 CD GLU A 87 13.964 2.083 -2.529 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.295 2.641 -3.597 1.00 0.00 O ATOM 1458 OE2 GLU A 87 14.784 1.558 -1.747 1.00 0.00 O ATOM 0 H GLU A 87 12.220 -0.369 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 87 9.841 1.017 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.209 1.702 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.062 2.823 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.227 2.959 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.314 1.217 -1.478 1.00 0.00 H new ATOM 1465 N ILE A 88 8.996 1.546 -4.915 1.00 0.00 N ATOM 1466 CA ILE A 88 8.227 1.495 -6.155 1.00 0.00 C ATOM 1467 C ILE A 88 7.935 2.896 -6.679 1.00 0.00 C ATOM 1468 O ILE A 88 8.330 3.892 -6.073 1.00 0.00 O ATOM 1469 CB ILE A 88 6.892 0.752 -5.960 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.150 1.295 -4.739 1.00 0.00 C ATOM 1471 CG2 ILE A 88 7.131 -0.742 -5.823 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.716 1.673 -5.031 1.00 0.00 C ATOM 0 H ILE A 88 8.836 2.383 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 88 8.836 0.954 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 88 6.271 0.920 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.167 0.545 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.679 2.169 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.177 -1.252 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.617 -1.117 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.771 -0.931 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.247 2.051 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.693 2.446 -5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.173 0.796 -5.382 1.00 0.00 H new ATOM 1484 N LEU A 89 7.239 2.965 -7.808 1.00 0.00 N ATOM 1485 CA LEU A 89 6.889 4.242 -8.416 1.00 0.00 C ATOM 1486 C LEU A 89 5.465 4.646 -8.042 1.00 0.00 C ATOM 1487 O LEU A 89 4.588 3.795 -7.896 1.00 0.00 O ATOM 1488 CB LEU A 89 7.028 4.163 -9.937 1.00 0.00 C ATOM 1489 CG LEU A 89 6.475 2.885 -10.570 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.818 3.190 -11.907 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.582 1.854 -10.740 1.00 0.00 C ATOM 0 H LEU A 89 6.906 2.149 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 89 7.575 4.999 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.518 5.019 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.083 4.252 -10.196 1.00 0.00 H new ATOM 0 HG LEU A 89 5.718 2.471 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.431 2.268 -12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.998 3.893 -11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.553 3.628 -12.582 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.172 0.951 -11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.362 2.260 -11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.006 1.612 -9.766 1.00 0.00 H new ATOM 1503 N PRO A 90 5.212 5.957 -7.881 1.00 0.00 N ATOM 1504 CA PRO A 90 3.885 6.467 -7.523 1.00 0.00 C ATOM 1505 C PRO A 90 2.874 6.313 -8.656 1.00 0.00 C ATOM 1506 O PRO A 90 1.675 6.510 -8.458 1.00 0.00 O ATOM 1507 CB PRO A 90 4.141 7.948 -7.234 1.00 0.00 C ATOM 1508 CG PRO A 90 5.353 8.284 -8.030 1.00 0.00 C ATOM 1509 CD PRO A 90 6.200 7.042 -8.036 1.00 0.00 C ATOM 0 HA PRO A 90 3.454 5.921 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.290 8.562 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.305 8.121 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.085 8.579 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.891 9.122 -7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.763 6.944 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.925 7.045 -7.222 1.00 0.00 H new ATOM 1517 N ARG A 91 3.360 5.959 -9.841 1.00 0.00 N ATOM 1518 CA ARG A 91 2.500 5.781 -11.001 1.00 0.00 C ATOM 1519 C ARG A 91 1.664 4.506 -10.860 1.00 0.00 C ATOM 1520 O ARG A 91 0.442 4.537 -11.002 1.00 0.00 O ATOM 1521 CB ARG A 91 3.363 5.761 -12.276 1.00 0.00 C ATOM 1522 CG ARG A 91 2.952 4.740 -13.329 1.00 0.00 C ATOM 1523 CD ARG A 91 1.896 5.302 -14.268 1.00 0.00 C ATOM 1524 NE ARG A 91 2.493 6.018 -15.393 1.00 0.00 N ATOM 1525 CZ ARG A 91 1.827 6.871 -16.167 1.00 0.00 C ATOM 1526 NH1 ARG A 91 0.542 7.116 -15.945 1.00 0.00 N ATOM 1527 NH2 ARG A 91 2.449 7.480 -17.168 1.00 0.00 N ATOM 0 H ARG A 91 4.349 5.790 -10.022 1.00 0.00 H new ATOM 0 HA ARG A 91 1.802 6.615 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.337 6.753 -12.727 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.397 5.567 -11.991 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.827 4.436 -13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.566 3.846 -12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.275 4.489 -14.644 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.240 5.975 -13.716 1.00 0.00 H new ATOM 0 HE ARG A 91 3.479 5.854 -15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.059 6.649 -15.177 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.037 7.771 -16.542 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.436 7.294 -17.343 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.940 8.134 -17.762 1.00 0.00 H new ATOM 1541 N GLN A 92 2.334 3.393 -10.581 1.00 0.00 N ATOM 1542 CA GLN A 92 1.656 2.110 -10.423 1.00 0.00 C ATOM 1543 C GLN A 92 0.776 2.105 -9.175 1.00 0.00 C ATOM 1544 O GLN A 92 -0.355 1.620 -9.201 1.00 0.00 O ATOM 1545 CB GLN A 92 2.679 0.977 -10.342 1.00 0.00 C ATOM 1546 CG GLN A 92 3.199 0.529 -11.698 1.00 0.00 C ATOM 1547 CD GLN A 92 2.595 -0.787 -12.150 1.00 0.00 C ATOM 1548 OE1 GLN A 92 1.754 -0.821 -13.047 1.00 0.00 O ATOM 1549 NE2 GLN A 92 3.021 -1.878 -11.525 1.00 0.00 N ATOM 0 H GLN A 92 3.346 3.353 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 92 1.019 1.956 -11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.520 1.301 -9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.225 0.125 -9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.980 1.298 -12.439 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.284 0.430 -11.652 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.720 -1.802 -10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.649 -2.792 -11.783 1.00 0.00 H new ATOM 1558 N PHE A 93 1.306 2.649 -8.085 1.00 0.00 N ATOM 1559 CA PHE A 93 0.575 2.708 -6.824 1.00 0.00 C ATOM 1560 C PHE A 93 -0.752 3.437 -6.999 1.00 0.00 C ATOM 1561 O PHE A 93 -1.809 2.912 -6.651 1.00 0.00 O ATOM 1562 CB PHE A 93 1.418 3.406 -5.756 1.00 0.00 C ATOM 1563 CG PHE A 93 0.862 3.268 -4.366 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.469 2.029 -3.884 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.735 4.374 -3.544 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.042 1.897 -2.607 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.224 4.249 -2.264 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.165 3.010 -1.796 1.00 0.00 C ATOM 0 H PHE A 93 2.241 3.056 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 93 0.368 1.687 -6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.428 2.996 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.498 4.465 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.563 1.157 -4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.038 5.346 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.345 0.926 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.130 5.120 -1.632 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.565 2.910 -0.798 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.691 4.646 -7.548 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.895 5.434 -7.775 1.00 0.00 C ATOM 1580 C GLU A 94 -2.717 4.847 -8.918 1.00 0.00 C ATOM 1581 O GLU A 94 -3.913 5.116 -9.035 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.538 6.893 -8.071 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.863 7.839 -6.926 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.627 8.271 -6.159 1.00 0.00 C ATOM 1585 OE1 GLU A 94 0.061 9.204 -6.621 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.349 7.674 -5.097 1.00 0.00 O ATOM 0 H GLU A 94 0.175 5.099 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.496 5.403 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.474 6.960 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.074 7.217 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.368 8.721 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.558 7.352 -6.243 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.076 4.030 -9.752 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.762 3.397 -10.870 1.00 0.00 C ATOM 1595 C GLU A 95 -3.863 2.489 -10.346 1.00 0.00 C ATOM 1596 O GLU A 95 -5.013 2.572 -10.776 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.775 2.594 -11.719 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.748 3.013 -13.178 1.00 0.00 C ATOM 1599 CD GLU A 95 -0.929 2.075 -14.040 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.058 0.845 -13.866 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.157 2.568 -14.890 1.00 0.00 O ATOM 0 H GLU A 95 -1.087 3.793 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.203 4.171 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.775 2.703 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.032 1.537 -11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.768 3.053 -13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.339 4.021 -13.255 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.498 1.629 -9.400 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.450 0.711 -8.798 1.00 0.00 C ATOM 1610 C ILE A 96 -5.346 1.442 -7.808 1.00 0.00 C ATOM 1611 O ILE A 96 -6.524 1.115 -7.660 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.731 -0.430 -8.070 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.634 -1.015 -8.958 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.726 -1.505 -7.659 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.113 -1.393 -10.344 1.00 0.00 C ATOM 0 H ILE A 96 -2.548 1.551 -9.036 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.056 0.295 -9.603 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.266 -0.034 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.825 -0.290 -9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.218 -1.898 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.201 -2.309 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.473 -1.074 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.218 -1.904 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.281 -1.801 -10.918 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.901 -2.142 -10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.502 -0.509 -10.848 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.779 2.442 -7.139 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.522 3.235 -6.169 1.00 0.00 C ATOM 1629 C TRP A 97 -6.804 3.763 -6.800 1.00 0.00 C ATOM 1630 O TRP A 97 -7.866 3.762 -6.180 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.661 4.401 -5.676 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.087 4.947 -4.347 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.425 6.239 -4.066 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.216 4.221 -3.118 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.757 6.362 -2.738 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.637 5.137 -2.136 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.016 2.885 -2.755 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.863 4.758 -0.814 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.238 2.512 -1.443 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.658 3.444 -0.486 1.00 0.00 C ATOM 0 H TRP A 97 -3.805 2.722 -7.253 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.781 2.603 -5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.624 4.072 -5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.693 5.202 -6.415 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.431 7.047 -4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.046 7.224 -2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.694 2.159 -3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.188 5.475 -0.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.085 1.484 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.824 3.120 0.531 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.691 4.197 -8.050 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.835 4.712 -8.791 1.00 0.00 C ATOM 1653 C GLU A 98 -8.591 3.573 -9.471 1.00 0.00 C ATOM 1654 O GLU A 98 -9.807 3.638 -9.650 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.378 5.733 -9.834 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.457 6.728 -10.225 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.236 7.315 -11.606 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -8.550 6.629 -12.600 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.750 8.463 -11.692 1.00 0.00 O ATOM 0 H GLU A 98 -5.815 4.202 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.506 5.204 -8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.518 6.277 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.043 5.204 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.429 6.235 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.486 7.534 -9.492 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.854 2.535 -9.855 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.440 1.379 -10.524 1.00 0.00 C ATOM 1668 C ARG A 99 -9.531 0.738 -9.673 1.00 0.00 C ATOM 1669 O ARG A 99 -10.652 0.529 -10.136 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.357 0.348 -10.844 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.551 -0.341 -12.186 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.697 0.298 -13.269 1.00 0.00 C ATOM 1673 NE ARG A 99 -6.912 1.741 -13.357 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.583 2.476 -14.417 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.020 1.909 -15.478 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -6.817 3.781 -14.416 1.00 0.00 N ATOM 0 H ARG A 99 -6.846 2.471 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.894 1.726 -11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.384 0.840 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.340 -0.406 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.295 -1.397 -12.095 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.601 -0.292 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.645 0.100 -13.064 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.927 -0.162 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.339 2.212 -12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.838 0.905 -15.483 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.770 2.477 -16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.249 4.221 -13.603 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.565 4.345 -15.228 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.195 0.420 -8.427 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.148 -0.206 -7.516 1.00 0.00 C ATOM 1692 C CYS A 100 -11.101 0.827 -6.917 1.00 0.00 C ATOM 1693 O CYS A 100 -12.220 1.001 -7.401 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.403 -0.949 -6.404 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.448 -2.371 -6.987 1.00 0.00 S ATOM 0 H CYS A 100 -8.272 0.585 -8.025 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.743 -0.920 -8.086 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.731 -0.253 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.124 -1.288 -5.660 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.286 -2.381 -6.405 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.656 1.512 -5.867 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.491 2.514 -5.230 1.00 0.00 C ATOM 1703 C GLY A 101 -10.791 3.211 -4.080 1.00 0.00 C ATOM 1704 O GLY A 101 -11.411 3.513 -3.060 1.00 0.00 O ATOM 0 H GLY A 101 -9.734 1.391 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.791 3.255 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.403 2.042 -4.863 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.498 3.466 -4.243 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.735 4.131 -3.204 1.00 0.00 C ATOM 1710 C GLY A 102 -9.084 5.600 -3.077 1.00 0.00 C ATOM 1711 O GLY A 102 -9.196 6.124 -1.969 1.00 0.00 O ATOM 0 H GLY A 102 -8.964 3.224 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.916 3.634 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.671 4.031 -3.419 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.258 6.267 -4.213 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.598 7.685 -4.222 1.00 0.00 C ATOM 1717 C ILE A 103 -10.970 7.919 -3.601 1.00 0.00 C ATOM 1718 O ILE A 103 -11.142 8.811 -2.770 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.586 8.261 -5.652 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.255 7.953 -6.343 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.838 9.762 -5.625 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.071 8.657 -5.715 1.00 0.00 C ATOM 0 H ILE A 103 -9.169 5.849 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.839 8.197 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.387 7.788 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.083 6.877 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.324 8.241 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.826 10.151 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.810 9.960 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.059 10.251 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.162 8.393 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.221 9.735 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.976 8.350 -4.673 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.945 7.112 -4.008 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.301 7.233 -3.488 1.00 0.00 C ATOM 1736 C GLN A 104 -13.314 7.025 -1.978 1.00 0.00 C ATOM 1737 O GLN A 104 -13.886 7.824 -1.236 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.231 6.220 -4.164 1.00 0.00 C ATOM 1739 CG GLN A 104 -13.996 6.070 -5.661 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.873 7.403 -6.374 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.796 8.217 -6.359 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.726 7.630 -7.005 1.00 0.00 N ATOM 0 H GLN A 104 -11.821 6.369 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.661 8.238 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.102 5.249 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.265 6.523 -3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.088 5.490 -5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.819 5.504 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.988 6.926 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.583 8.508 -7.504 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.672 5.951 -1.526 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.601 5.645 -0.103 1.00 0.00 C ATOM 1753 C TYR A 105 -11.969 6.807 0.657 1.00 0.00 C ATOM 1754 O TYR A 105 -12.505 7.271 1.664 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.794 4.364 0.126 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.588 4.025 1.585 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.543 3.307 2.294 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.438 4.425 2.256 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.358 2.996 3.628 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.245 4.117 3.588 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.208 3.404 4.270 1.00 0.00 C ATOM 1762 OH TYR A 105 -11.020 3.096 5.598 1.00 0.00 O ATOM 0 H TYR A 105 -12.194 5.279 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.614 5.492 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.303 3.533 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.821 4.468 -0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.445 2.986 1.794 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.683 4.986 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.110 2.437 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.344 4.433 4.093 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.796 2.146 5.685 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.832 7.279 0.157 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.129 8.396 0.775 1.00 0.00 C ATOM 1774 C LEU A 106 -11.027 9.629 0.820 1.00 0.00 C ATOM 1775 O LEU A 106 -11.112 10.315 1.837 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.848 8.703 0.002 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.573 8.692 0.840 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.519 9.908 1.751 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.476 7.408 1.651 1.00 0.00 C ATOM 0 H LEU A 106 -10.378 6.904 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.866 8.121 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.743 7.975 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.949 9.682 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.719 8.735 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.602 9.881 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.536 10.816 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.380 9.900 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.560 7.419 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.336 7.332 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.462 6.552 0.977 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.696 9.893 -0.296 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.601 11.033 -0.405 1.00 0.00 C ATOM 1793 C GLN A 107 -13.744 10.923 0.603 1.00 0.00 C ATOM 1794 O GLN A 107 -14.282 11.930 1.062 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.170 11.117 -1.824 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.659 12.307 -2.618 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.327 13.607 -2.216 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -14.409 13.939 -2.698 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -12.680 14.352 -1.326 1.00 0.00 N ATOM 0 H GLN A 107 -11.629 9.330 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.034 11.938 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.922 10.201 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.257 11.169 -1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.582 12.398 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.828 12.130 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.785 14.038 -0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.079 15.238 -1.016 1.00 0.00 H new ATOM 1808 N SER A 108 -14.112 9.690 0.933 1.00 0.00 N ATOM 1809 CA SER A 108 -15.197 9.436 1.877 1.00 0.00 C ATOM 1810 C SER A 108 -14.797 9.844 3.291 1.00 0.00 C ATOM 1811 O SER A 108 -15.520 10.583 3.961 1.00 0.00 O ATOM 1812 CB SER A 108 -15.589 7.956 1.850 1.00 0.00 C ATOM 1813 OG SER A 108 -16.933 7.792 1.436 1.00 0.00 O ATOM 0 H SER A 108 -13.674 8.848 0.560 1.00 0.00 H new ATOM 0 HA SER A 108 -16.055 10.037 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.928 7.414 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.455 7.523 2.841 1.00 0.00 H new ATOM 0 HG SER A 108 -17.158 6.838 1.425 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.636 9.376 3.732 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.138 9.714 5.058 1.00 0.00 C ATOM 1821 C ALA A 109 -12.643 11.152 5.069 1.00 0.00 C ATOM 1822 O ALA A 109 -12.730 11.851 6.078 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.025 8.761 5.469 1.00 0.00 C ATOM 0 H ALA A 109 -13.024 8.764 3.193 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.951 9.615 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.665 9.029 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.407 7.740 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.204 8.830 4.755 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.135 11.583 3.922 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.632 12.934 3.757 1.00 0.00 C ATOM 1831 C ILE A 110 -12.733 13.954 4.043 1.00 0.00 C ATOM 1832 O ILE A 110 -12.534 14.901 4.805 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.091 13.128 2.321 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.650 12.630 2.225 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.176 14.579 1.886 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.169 12.454 0.801 1.00 0.00 C ATOM 0 H ILE A 110 -12.062 11.006 3.084 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.820 13.090 4.467 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.716 12.541 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.995 13.335 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.567 11.678 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.787 14.678 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.216 14.906 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.586 15.197 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.139 12.098 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.801 11.727 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.220 13.409 0.279 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.893 13.746 3.430 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.030 14.640 3.618 1.00 0.00 C ATOM 1850 C GLU A 111 -15.636 14.460 5.005 1.00 0.00 C ATOM 1851 O GLU A 111 -16.070 15.424 5.635 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.090 14.381 2.547 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.640 14.747 1.144 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.089 16.136 0.731 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -16.374 16.957 1.627 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -16.153 16.402 -0.488 1.00 0.00 O ATOM 0 H GLU A 111 -14.071 12.965 2.798 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.675 15.667 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.365 13.326 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.987 14.949 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.553 14.689 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.035 14.017 0.438 1.00 0.00 H new ATOM 1863 N SER A 112 -15.661 13.217 5.475 1.00 0.00 N ATOM 1864 CA SER A 112 -16.214 12.905 6.789 1.00 0.00 C ATOM 1865 C SER A 112 -15.254 13.309 7.907 1.00 0.00 C ATOM 1866 O SER A 112 -15.609 13.263 9.085 1.00 0.00 O ATOM 1867 CB SER A 112 -16.529 11.411 6.889 1.00 0.00 C ATOM 1868 OG SER A 112 -17.759 11.105 6.254 1.00 0.00 O ATOM 0 H SER A 112 -15.305 12.409 4.965 1.00 0.00 H new ATOM 0 HA SER A 112 -17.134 13.477 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.726 10.835 6.429 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.574 11.115 7.937 1.00 0.00 H new ATOM 0 HG SER A 112 -17.936 10.144 6.330 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.037 13.703 7.536 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.029 14.113 8.512 1.00 0.00 C ATOM 1876 C ARG A 113 -12.498 12.909 9.283 1.00 0.00 C ATOM 1877 O ARG A 113 -12.075 13.033 10.433 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.608 15.143 9.485 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.432 16.228 8.808 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.556 17.368 8.314 1.00 0.00 C ATOM 1881 NE ARG A 113 -14.173 18.671 8.543 1.00 0.00 N ATOM 1882 CZ ARG A 113 -13.813 19.785 7.909 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -12.838 19.757 7.007 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -14.428 20.929 8.177 1.00 0.00 N ATOM 0 H ARG A 113 -13.725 13.747 6.566 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.202 14.569 7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.232 14.629 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.791 15.610 10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.980 15.799 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.172 16.614 9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.592 17.330 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.362 17.241 7.249 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.925 18.732 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.362 18.880 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.566 20.613 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.177 20.955 8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.152 21.782 7.691 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.519 11.745 8.641 1.00 0.00 N ATOM 1899 CA GLN A 114 -12.036 10.518 9.265 1.00 0.00 C ATOM 1900 C GLN A 114 -10.610 10.211 8.816 1.00 0.00 C ATOM 1901 O GLN A 114 -9.832 9.611 9.555 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.956 9.347 8.918 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.385 9.529 9.407 1.00 0.00 C ATOM 1904 CD GLN A 114 -15.227 8.282 9.221 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -14.729 7.161 9.329 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -16.511 8.471 8.939 1.00 0.00 N ATOM 0 H GLN A 114 -12.865 11.626 7.689 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.038 10.661 10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.966 9.212 7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.547 8.434 9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.372 9.800 10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.846 10.358 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.882 9.418 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.127 7.669 8.803 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.275 10.632 7.599 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.943 10.406 7.051 1.00 0.00 C ATOM 1917 C ALA A 115 -7.875 11.036 7.940 1.00 0.00 C ATOM 1918 O ALA A 115 -8.139 11.373 9.096 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.857 10.963 5.636 1.00 0.00 C ATOM 0 H ALA A 115 -10.908 11.131 6.975 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.762 9.332 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.858 10.789 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.592 10.465 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.059 12.034 5.654 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.670 11.192 7.401 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.571 11.783 8.154 1.00 0.00 C ATOM 1927 C ARG A 116 -4.833 12.832 7.323 1.00 0.00 C ATOM 1928 O ARG A 116 -3.892 12.509 6.599 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.593 10.700 8.608 1.00 0.00 C ATOM 1930 CG ARG A 116 -3.624 11.166 9.687 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.798 10.378 10.976 1.00 0.00 C ATOM 1932 NE ARG A 116 -3.432 11.162 12.154 1.00 0.00 N ATOM 1933 CZ ARG A 116 -3.468 10.690 13.398 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -3.842 9.437 13.631 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -3.129 11.473 14.414 1.00 0.00 N ATOM 0 H ARG A 116 -6.431 10.918 6.448 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.994 12.274 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.158 9.846 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.024 10.352 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.600 11.057 9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.781 12.226 9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.835 10.054 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.185 9.478 10.935 1.00 0.00 H new ATOM 0 HE ARG A 116 -3.132 12.127 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.104 8.830 12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -3.867 9.082 14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -2.841 12.436 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -3.156 11.112 15.368 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.247 14.109 7.425 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.612 15.208 6.685 1.00 0.00 C ATOM 1951 C PRO A 117 -3.094 15.201 6.849 1.00 0.00 C ATOM 1952 O PRO A 117 -2.558 15.809 7.776 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.215 16.457 7.333 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.539 16.011 7.849 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.355 14.581 8.276 1.00 0.00 C ATOM 0 HA PRO A 117 -4.787 15.142 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.582 16.831 8.137 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.323 17.266 6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.861 16.630 8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.306 16.093 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.108 14.507 9.335 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.260 13.995 8.118 1.00 0.00 H new ATOM 1963 N THR A 118 -2.406 14.500 5.952 1.00 0.00 N ATOM 1964 CA THR A 118 -0.951 14.407 6.012 1.00 0.00 C ATOM 1965 C THR A 118 -0.321 14.579 4.633 1.00 0.00 C ATOM 1966 O THR A 118 0.605 15.372 4.462 1.00 0.00 O ATOM 1967 CB THR A 118 -0.533 13.061 6.607 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.380 12.025 6.145 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.563 13.040 8.119 1.00 0.00 C ATOM 0 H THR A 118 -2.831 13.990 5.178 1.00 0.00 H new ATOM 0 HA THR A 118 -0.594 15.215 6.651 1.00 0.00 H new ATOM 0 HB THR A 118 0.495 12.906 6.279 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.261 12.110 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.256 12.057 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.119 13.796 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.574 13.252 8.466 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.815 13.827 3.655 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.280 13.903 2.299 1.00 0.00 C ATOM 1979 C TYR A 119 -1.247 13.307 1.280 1.00 0.00 C ATOM 1980 O TYR A 119 -1.709 13.996 0.372 1.00 0.00 O ATOM 1981 CB TYR A 119 1.064 13.176 2.221 1.00 0.00 C ATOM 1982 CG TYR A 119 1.726 13.266 0.863 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.211 12.584 -0.232 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.868 14.034 0.678 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.813 12.665 -1.473 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.477 14.122 -0.559 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.946 13.436 -1.631 1.00 0.00 C ATOM 1988 OH TYR A 119 3.550 13.520 -2.865 1.00 0.00 O ATOM 0 H TYR A 119 -1.579 13.162 3.774 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.140 14.957 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.736 13.592 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.915 12.126 2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.324 11.980 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.287 14.572 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.399 12.128 -2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.364 14.725 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 119 4.335 14.104 -2.806 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.537 12.018 1.428 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.435 11.326 0.509 1.00 0.00 C ATOM 2000 C ALA A 120 -3.772 12.049 0.381 1.00 0.00 C ATOM 2001 O ALA A 120 -4.341 12.121 -0.706 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.656 9.893 0.958 1.00 0.00 C ATOM 0 H ALA A 120 -1.164 11.432 2.175 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.961 11.321 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.328 9.393 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.701 9.368 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.098 9.888 1.954 1.00 0.00 H new ATOM 2008 N THR A 121 -4.270 12.579 1.490 1.00 0.00 N ATOM 2009 CA THR A 121 -5.541 13.289 1.483 1.00 0.00 C ATOM 2010 C THR A 121 -5.417 14.609 0.726 1.00 0.00 C ATOM 2011 O THR A 121 -6.348 15.032 0.040 1.00 0.00 O ATOM 2012 CB THR A 121 -6.023 13.538 2.911 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.977 14.056 3.713 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.547 12.290 3.586 1.00 0.00 C ATOM 0 H THR A 121 -3.815 12.531 2.402 1.00 0.00 H new ATOM 0 HA THR A 121 -6.276 12.667 0.972 1.00 0.00 H new ATOM 0 HB THR A 121 -6.839 14.255 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.841 13.474 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.874 12.533 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.389 11.895 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.756 11.541 3.630 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.259 15.250 0.848 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.013 16.514 0.164 1.00 0.00 C ATOM 2024 C ALA A 122 -3.885 16.293 -1.336 1.00 0.00 C ATOM 2025 O ALA A 122 -4.610 16.891 -2.136 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.761 17.178 0.715 1.00 0.00 C ATOM 0 H ALA A 122 -3.478 14.916 1.413 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.861 17.175 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.590 18.120 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.890 17.370 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.905 16.521 0.565 1.00 0.00 H new ATOM 2032 N MET A 123 -2.966 15.410 -1.713 1.00 0.00 N ATOM 2033 CA MET A 123 -2.748 15.088 -3.117 1.00 0.00 C ATOM 2034 C MET A 123 -4.045 14.607 -3.759 1.00 0.00 C ATOM 2035 O MET A 123 -4.265 14.799 -4.954 1.00 0.00 O ATOM 2036 CB MET A 123 -1.640 14.042 -3.261 1.00 0.00 C ATOM 2037 CG MET A 123 -1.836 12.814 -2.389 1.00 0.00 C ATOM 2038 SD MET A 123 -2.087 11.310 -3.351 1.00 0.00 S ATOM 2039 CE MET A 123 -3.323 11.869 -4.519 1.00 0.00 C ATOM 0 H MET A 123 -2.361 14.905 -1.065 1.00 0.00 H new ATOM 0 HA MET A 123 -2.428 15.990 -3.638 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.582 13.730 -4.304 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.684 14.503 -3.013 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.965 12.688 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.695 12.970 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.484 11.100 -5.275 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.258 12.063 -3.994 1.00 0.00 H new ATOM 0 HE3 MET A 123 -2.981 12.785 -5.000 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.911 13.996 -2.954 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.195 13.513 -3.451 1.00 0.00 C ATOM 2051 C LEU A 124 -7.097 14.692 -3.791 1.00 0.00 C ATOM 2052 O LEU A 124 -7.742 14.718 -4.841 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.872 12.618 -2.410 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.775 11.524 -2.986 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.323 10.151 -2.511 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.226 11.772 -2.599 1.00 0.00 C ATOM 0 H LEU A 124 -4.748 13.825 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.020 12.925 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.100 12.148 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.466 13.245 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.698 11.553 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.977 9.387 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.299 9.972 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.369 10.109 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.854 10.985 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.318 11.771 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.547 12.738 -2.990 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.125 15.673 -2.894 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.937 16.870 -3.086 1.00 0.00 C ATOM 2070 C GLN A 125 -7.620 17.523 -4.425 1.00 0.00 C ATOM 2071 O GLN A 125 -8.523 17.916 -5.164 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.696 17.864 -1.949 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.330 17.448 -0.632 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.844 17.504 -0.670 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.442 18.570 -0.529 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.472 16.348 -0.859 1.00 0.00 N ATOM 0 H GLN A 125 -6.593 15.662 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.987 16.576 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.622 17.984 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.089 18.838 -2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.014 16.435 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.966 18.098 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.935 15.488 -0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.491 16.321 -0.892 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.333 17.633 -4.732 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.905 18.237 -5.990 1.00 0.00 C ATOM 2087 C ASN A 126 -5.975 17.224 -7.125 1.00 0.00 C ATOM 2088 O ASN A 126 -6.221 17.584 -8.278 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.488 18.801 -5.871 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.527 17.827 -5.224 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -3.166 17.976 -4.058 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.103 16.826 -5.985 1.00 0.00 N ATOM 0 H ASN A 126 -5.572 17.315 -4.133 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.584 19.059 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -4.121 19.063 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.515 19.721 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.450 16.140 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -3.430 16.743 -6.948 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.780 15.953 -6.793 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.842 14.891 -7.781 1.00 0.00 C ATOM 2101 C LEU A 127 -7.267 14.749 -8.318 1.00 0.00 C ATOM 2102 O LEU A 127 -7.488 14.127 -9.357 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.371 13.576 -7.156 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.777 12.308 -7.904 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.771 11.198 -7.648 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -7.174 11.875 -7.487 1.00 0.00 C ATOM 0 H LEU A 127 -5.578 15.636 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.185 15.140 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.284 13.599 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.760 13.517 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.788 12.520 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.074 10.301 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.786 11.513 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.731 10.983 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.451 10.970 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.189 11.676 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.885 12.668 -7.719 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.228 15.332 -7.603 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.626 15.272 -8.011 1.00 0.00 C ATOM 2120 C LEU A 128 -9.890 16.201 -9.192 1.00 0.00 C ATOM 2121 O LEU A 128 -10.749 15.928 -10.029 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.538 15.648 -6.840 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.653 14.587 -5.744 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -10.898 15.240 -4.393 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.767 13.604 -6.074 1.00 0.00 C ATOM 0 H LEU A 128 -8.062 15.850 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.843 14.250 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.169 16.571 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.535 15.858 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.713 14.038 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.977 14.470 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.068 15.906 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.824 15.813 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.837 12.855 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.713 14.139 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.550 13.113 -7.022 1.00 0.00 H new ATOM 2137 N LYS A 129 -9.144 17.300 -9.253 1.00 0.00 N ATOM 2138 CA LYS A 129 -9.296 18.270 -10.331 1.00 0.00 C ATOM 2139 C LYS A 129 -9.065 17.615 -11.690 1.00 0.00 C ATOM 2140 O LYS A 129 -9.800 17.954 -12.642 1.00 0.00 O ATOM 2141 CB LYS A 129 -8.319 19.432 -10.143 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.788 20.462 -9.128 1.00 0.00 C ATOM 2143 CD LYS A 129 -9.033 19.834 -7.767 1.00 0.00 C ATOM 2144 CE LYS A 129 -9.153 20.890 -6.680 1.00 0.00 C ATOM 2145 NZ LYS A 129 -7.868 21.092 -5.955 1.00 0.00 N ATOM 2146 OXT LYS A 129 -8.151 16.769 -11.791 1.00 0.00 O ATOM 0 H LYS A 129 -8.428 17.541 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.316 18.652 -10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -7.353 19.037 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -8.164 19.924 -11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -8.041 21.250 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -9.705 20.932 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -9.945 19.238 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -8.216 19.154 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -9.471 21.833 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -9.927 20.595 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.853 22.043 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.778 20.379 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -7.075 20.996 -6.621 1.00 0.00 H new TER 2160 LYS A 129