USER MOD reduce.3.24.130724 H: found=0, std=0, add=1460, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1464 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 173 THR OG1 : rot -160:sc= -0.578 USER MOD Set 1.2: A 187 THR OG1 : rot -160:sc= 0 USER MOD Set 1.3: A 188 MET CE :methyl -152:sc= -3.16! (180deg=-4.5!) USER MOD Set 2.1: A 148 ASN : amide:sc= -0.286 K(o=-4.6,f=-5.6) USER MOD Set 2.2: A 151 CYS SG : rot 73:sc= -4.27! USER MOD Set 3.1: A 95 HIS : no HE2:sc= -0.0103 K(o=0.38,f=-1.5) USER MOD Set 3.2: A 137 TYR OH : rot 105:sc= 0.394 USER MOD Set 4.1: A 83 MET CE :methyl -168:sc= 0 (180deg=-0.0212) USER MOD Set 4.2: A 94 CYS SG : rot -64:sc= 0.575 USER MOD Set 5.1: A 77 SER OG : rot -35:sc= 0.694 USER MOD Set 5.2: A 191 ASN : amide:sc= -0.519 K(o=0.18,f=-1.8!) USER MOD Set 6.1: A 67 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD Set 6.2: A 96 THR OG1 : rot 116:sc= 0.00418 USER MOD Set 7.1: A 46 ASN :FLIP amide:sc= 1.65 F(o=0.31,f=2.3) USER MOD Set 7.2: A 48 TYR OH : rot -97:sc= 0.651 USER MOD Set 8.1: A 18 ASN : amide:sc= -4.22! C(o=-4.7!,f=-6.1!) USER MOD Set 8.2: A 124 MET CE :methyl -119:sc= -0.24 (180deg=0) USER MOD Set 8.3: A 156 SER OG : rot 174:sc= -0.256 USER MOD Set 9.1: A 12 GLN : amide:sc= -0.226 K(o=0.048,f=-6.1!) USER MOD Set 9.2: A 118 LYS NZ :NH3+ -149:sc= 0.273 (180deg=0) USER MOD Set10.1: A 10 THR OG1 : rot 60:sc= -1.21! USER MOD Set10.2: A 130 LYS NZ :NH3+ -145:sc= -2.23! (180deg=-4.13!) USER MOD Set11.1: A 8 GLN : amide:sc= -4.43! C(o=-4!,f=-4.7!) USER MOD Set11.2: A 116 TYR OH : rot -120:sc= 0.455 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0.687 (180deg=0.687) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 50:sc= 0.182 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0826 (180deg=-0.496) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0453 (180deg=-0.368) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 36 SER OG : rot 175:sc=-0.000443 USER MOD Single : A 37 SER OG : rot 160:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.97) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -84:sc= 1.22 USER MOD Single : A 66 TYR OH : rot -68:sc= 0.544 USER MOD Single : A 68 THR OG1 : rot 90:sc= 1.87 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.216 K(o=0.22,f=-0.41) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.169 X(o=0.17,f=-0.31) USER MOD Single : A 85 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -51:sc= 0.173! USER MOD Single : A 98 THR OG1 : rot -161:sc= -0.433 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.484 F(o=-1.3,f=-0.48) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot -61:sc= -0.92 USER MOD Single : A 123 ASN : amide:sc= -0.484 K(o=-0.48,f=-1.1) USER MOD Single : A 125 ASN : amide:sc= -0.0345 X(o=-0.035,f=-0.071) USER MOD Single : A 128 SER OG : rot -63:sc= 1.13 USER MOD Single : A 129 SER OG : rot 26:sc=-0.00469 USER MOD Single : A 131 SER OG : rot 34:sc= 1.07 USER MOD Single : A 140 SER OG : rot 170:sc= 0.282 USER MOD Single : A 141 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 142 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 HIS :FLIP no HE2:sc= 0.2 F(o=-0.96,f=0.2) USER MOD Single : A 155 CYS SG : rot 30:sc= -7.25! USER MOD Single : A 158 MET CE :methyl -164:sc= -0.071 (180deg=-0.418) USER MOD Single : A 161 ASN :FLIP amide:sc= -3.61! C(o=-4.1!,f=-3.6!) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot -71:sc= 0.259 USER MOD Single : A 166 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.15) USER MOD Single : A 169 MET CE :methyl 172:sc= 0 (180deg=-0.0182) USER MOD Single : A 172 GLN :FLIP amide:sc= -0.0551 F(o=-1.2,f=-0.055) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 SER OG : rot 87:sc= 1.16 USER MOD Single : A 194 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.5!) USER MOD Single : A 198 ASN : amide:sc= -8.68! C(o=-8.7!,f=-10!) USER MOD Single : A 200 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.559) USER MOD Single : A 204 LYS NZ :NH3+ -117:sc= 0.608 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -7.887 -4.986 -20.113 1.00 0.84 N ATOM 21 CA ASP A 2 -9.024 -4.639 -19.258 1.00 0.67 C ATOM 22 C ASP A 2 -8.521 -3.865 -18.063 1.00 0.52 C ATOM 23 O ASP A 2 -8.721 -2.659 -17.943 1.00 0.53 O ATOM 24 CB ASP A 2 -9.754 -5.878 -18.744 1.00 0.98 C ATOM 25 CG ASP A 2 -11.082 -5.544 -18.089 1.00 1.50 C ATOM 26 OD1 ASP A 2 -11.103 -5.281 -16.870 1.00 2.25 O ATOM 27 OD2 ASP A 2 -12.115 -5.550 -18.793 1.00 1.72 O ATOM 0 HA ASP A 2 -9.719 -4.050 -19.856 1.00 0.67 H new ATOM 0 HB2 ASP A 2 -9.925 -6.565 -19.573 1.00 0.98 H new ATOM 0 HB3 ASP A 2 -9.119 -6.397 -18.026 1.00 0.98 H new ATOM 32 N PHE A 3 -7.817 -4.569 -17.199 1.00 0.43 N ATOM 33 CA PHE A 3 -7.258 -3.970 -16.016 1.00 0.34 C ATOM 34 C PHE A 3 -6.111 -3.084 -16.428 1.00 0.37 C ATOM 35 O PHE A 3 -5.802 -2.099 -15.781 1.00 0.40 O ATOM 36 CB PHE A 3 -6.799 -5.047 -15.045 1.00 0.30 C ATOM 37 CG PHE A 3 -7.918 -5.916 -14.548 1.00 0.29 C ATOM 38 CD1 PHE A 3 -8.316 -7.034 -15.259 1.00 0.30 C ATOM 39 CD2 PHE A 3 -8.563 -5.617 -13.363 1.00 0.28 C ATOM 40 CE1 PHE A 3 -9.333 -7.837 -14.796 1.00 0.31 C ATOM 41 CE2 PHE A 3 -9.578 -6.415 -12.890 1.00 0.29 C ATOM 42 CZ PHE A 3 -9.965 -7.529 -13.607 1.00 0.29 C ATOM 0 H PHE A 3 -7.621 -5.565 -17.301 1.00 0.43 H new ATOM 0 HA PHE A 3 -8.012 -3.371 -15.505 1.00 0.34 H new ATOM 0 HB2 PHE A 3 -6.052 -5.673 -15.534 1.00 0.30 H new ATOM 0 HB3 PHE A 3 -6.310 -4.574 -14.193 1.00 0.30 H new ATOM 0 HD1 PHE A 3 -7.823 -7.279 -16.188 1.00 0.30 H new ATOM 0 HD2 PHE A 3 -8.266 -4.744 -12.800 1.00 0.28 H new ATOM 0 HE1 PHE A 3 -9.636 -8.706 -15.361 1.00 0.31 H new ATOM 0 HE2 PHE A 3 -10.071 -6.171 -11.960 1.00 0.29 H new ATOM 0 HZ PHE A 3 -10.761 -8.159 -13.239 1.00 0.29 H new ATOM 52 N LYS A 4 -5.536 -3.420 -17.566 1.00 0.40 N ATOM 53 CA LYS A 4 -4.495 -2.640 -18.174 1.00 0.47 C ATOM 54 C LYS A 4 -5.058 -1.303 -18.632 1.00 0.54 C ATOM 55 O LYS A 4 -4.338 -0.425 -19.073 1.00 0.95 O ATOM 56 CB LYS A 4 -3.949 -3.373 -19.382 1.00 0.54 C ATOM 57 CG LYS A 4 -2.503 -3.067 -19.667 1.00 0.68 C ATOM 58 CD LYS A 4 -1.563 -3.914 -18.829 1.00 0.83 C ATOM 59 CE LYS A 4 -0.118 -3.740 -19.274 1.00 1.10 C ATOM 60 NZ LYS A 4 0.117 -4.277 -20.643 1.00 1.51 N ATOM 0 H LYS A 4 -5.787 -4.255 -18.095 1.00 0.40 H new ATOM 0 HA LYS A 4 -3.701 -2.480 -17.444 1.00 0.47 H new ATOM 0 HB2 LYS A 4 -4.061 -4.446 -19.227 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -4.546 -3.113 -20.256 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -2.299 -3.238 -20.724 1.00 0.68 H new ATOM 0 HG3 LYS A 4 -2.311 -2.012 -19.471 1.00 0.68 H new ATOM 0 HD2 LYS A 4 -1.658 -3.637 -17.779 1.00 0.83 H new ATOM 0 HD3 LYS A 4 -1.847 -4.963 -18.909 1.00 0.83 H new ATOM 0 HE2 LYS A 4 0.143 -2.682 -19.251 1.00 1.10 H new ATOM 0 HE3 LYS A 4 0.541 -4.246 -18.569 1.00 1.10 H new ATOM 0 HZ1 LYS A 4 1.114 -4.137 -20.904 1.00 1.51 H new ATOM 0 HZ2 LYS A 4 -0.106 -5.293 -20.661 1.00 1.51 H new ATOM 0 HZ3 LYS A 4 -0.492 -3.777 -21.321 1.00 1.51 H new ATOM 74 N ALA A 5 -6.363 -1.184 -18.578 1.00 0.45 N ATOM 75 CA ALA A 5 -7.013 0.060 -18.886 1.00 0.47 C ATOM 76 C ALA A 5 -7.171 0.881 -17.619 1.00 0.42 C ATOM 77 O ALA A 5 -6.765 2.039 -17.557 1.00 0.42 O ATOM 78 CB ALA A 5 -8.365 -0.208 -19.530 1.00 0.54 C ATOM 0 H ALA A 5 -6.996 -1.941 -18.321 1.00 0.45 H new ATOM 0 HA ALA A 5 -6.404 0.625 -19.591 1.00 0.47 H new ATOM 0 HB1 ALA A 5 -8.852 0.739 -19.761 1.00 0.54 H new ATOM 0 HB2 ALA A 5 -8.224 -0.777 -20.449 1.00 0.54 H new ATOM 0 HB3 ALA A 5 -8.989 -0.779 -18.842 1.00 0.54 H new ATOM 84 N ILE A 6 -7.703 0.251 -16.586 1.00 0.42 N ATOM 85 CA ILE A 6 -8.087 0.980 -15.384 1.00 0.43 C ATOM 86 C ILE A 6 -6.898 1.188 -14.474 1.00 0.37 C ATOM 87 O ILE A 6 -6.783 2.198 -13.796 1.00 0.38 O ATOM 88 CB ILE A 6 -9.212 0.291 -14.588 1.00 0.53 C ATOM 89 CG1 ILE A 6 -8.942 -1.215 -14.413 1.00 0.91 C ATOM 90 CG2 ILE A 6 -10.560 0.552 -15.251 1.00 1.07 C ATOM 91 CD1 ILE A 6 -9.862 -2.123 -15.203 1.00 0.65 C ATOM 0 H ILE A 6 -7.879 -0.753 -16.552 1.00 0.42 H new ATOM 0 HA ILE A 6 -8.466 1.941 -15.732 1.00 0.43 H new ATOM 0 HB ILE A 6 -9.238 0.721 -13.587 1.00 0.53 H new ATOM 0 HG12 ILE A 6 -7.912 -1.421 -14.706 1.00 0.91 H new ATOM 0 HG13 ILE A 6 -9.029 -1.465 -13.356 1.00 0.91 H new ATOM 0 HG21 ILE A 6 -11.348 0.060 -14.680 1.00 1.07 H new ATOM 0 HG22 ILE A 6 -10.749 1.625 -15.281 1.00 1.07 H new ATOM 0 HG23 ILE A 6 -10.548 0.157 -16.267 1.00 1.07 H new ATOM 0 HD11 ILE A 6 -9.595 -3.163 -15.016 1.00 0.65 H new ATOM 0 HD12 ILE A 6 -10.894 -1.952 -14.896 1.00 0.65 H new ATOM 0 HD13 ILE A 6 -9.760 -1.908 -16.267 1.00 0.65 H new ATOM 103 N ALA A 7 -6.023 0.209 -14.467 1.00 0.33 N ATOM 104 CA ALA A 7 -4.859 0.201 -13.607 1.00 0.31 C ATOM 105 C ALA A 7 -3.766 1.074 -14.160 1.00 0.30 C ATOM 106 O ALA A 7 -3.065 1.757 -13.436 1.00 0.32 O ATOM 107 CB ALA A 7 -4.354 -1.194 -13.519 1.00 0.34 C ATOM 0 H ALA A 7 -6.099 -0.614 -15.065 1.00 0.33 H new ATOM 0 HA ALA A 7 -5.144 0.584 -12.627 1.00 0.31 H new ATOM 0 HB1 ALA A 7 -3.475 -1.223 -12.875 1.00 0.34 H new ATOM 0 HB2 ALA A 7 -5.130 -1.836 -13.103 1.00 0.34 H new ATOM 0 HB3 ALA A 7 -4.085 -1.547 -14.515 1.00 0.34 H new ATOM 113 N GLN A 8 -3.633 1.006 -15.455 1.00 0.31 N ATOM 114 CA GLN A 8 -2.649 1.774 -16.184 1.00 0.34 C ATOM 115 C GLN A 8 -2.987 3.246 -16.124 1.00 0.35 C ATOM 116 O GLN A 8 -2.118 4.111 -16.241 1.00 0.39 O ATOM 117 CB GLN A 8 -2.587 1.278 -17.617 1.00 0.38 C ATOM 118 CG GLN A 8 -1.762 0.029 -17.757 1.00 0.96 C ATOM 119 CD GLN A 8 -1.056 -0.061 -19.095 1.00 1.04 C ATOM 120 OE1 GLN A 8 0.038 -0.617 -19.195 1.00 1.59 O ATOM 121 NE2 GLN A 8 -1.682 0.472 -20.133 1.00 1.50 N ATOM 0 H GLN A 8 -4.211 0.409 -16.047 1.00 0.31 H new ATOM 0 HA GLN A 8 -1.667 1.642 -15.729 1.00 0.34 H new ATOM 0 HB2 GLN A 8 -3.598 1.084 -17.975 1.00 0.38 H new ATOM 0 HB3 GLN A 8 -2.168 2.059 -18.251 1.00 0.38 H new ATOM 0 HG2 GLN A 8 -1.022 -0.004 -16.958 1.00 0.96 H new ATOM 0 HG3 GLN A 8 -2.405 -0.842 -17.631 1.00 0.96 H new ATOM 0 HE21 GLN A 8 -2.588 0.924 -20.006 1.00 1.50 H new ATOM 0 HE22 GLN A 8 -1.259 0.431 -21.060 1.00 1.50 H new ATOM 130 N GLN A 9 -4.258 3.519 -15.920 1.00 0.36 N ATOM 131 CA GLN A 9 -4.688 4.878 -15.634 1.00 0.40 C ATOM 132 C GLN A 9 -4.514 5.145 -14.148 1.00 0.38 C ATOM 133 O GLN A 9 -3.904 6.134 -13.753 1.00 0.45 O ATOM 134 CB GLN A 9 -6.137 5.109 -16.054 1.00 0.48 C ATOM 135 CG GLN A 9 -6.353 5.019 -17.553 1.00 0.74 C ATOM 136 CD GLN A 9 -7.778 5.335 -17.954 1.00 1.65 C ATOM 137 OE1 GLN A 9 -8.634 4.452 -17.990 1.00 2.47 O ATOM 138 NE2 GLN A 9 -8.043 6.592 -18.264 1.00 2.31 N ATOM 0 H GLN A 9 -5.008 2.828 -15.946 1.00 0.36 H new ATOM 0 HA GLN A 9 -4.074 5.570 -16.210 1.00 0.40 H new ATOM 0 HB2 GLN A 9 -6.772 4.375 -15.558 1.00 0.48 H new ATOM 0 HB3 GLN A 9 -6.455 6.092 -15.707 1.00 0.48 H new ATOM 0 HG2 GLN A 9 -5.676 5.709 -18.056 1.00 0.74 H new ATOM 0 HG3 GLN A 9 -6.097 4.016 -17.894 1.00 0.74 H new ATOM 0 HE21 GLN A 9 -7.305 7.294 -18.221 1.00 2.31 H new ATOM 0 HE22 GLN A 9 -8.986 6.860 -18.546 1.00 2.31 H new ATOM 147 N THR A 10 -5.044 4.229 -13.343 1.00 0.34 N ATOM 148 CA THR A 10 -4.906 4.240 -11.896 1.00 0.34 C ATOM 149 C THR A 10 -3.463 4.509 -11.441 1.00 0.30 C ATOM 150 O THR A 10 -3.248 5.303 -10.527 1.00 0.30 O ATOM 151 CB THR A 10 -5.427 2.892 -11.353 1.00 0.37 C ATOM 152 OG1 THR A 10 -6.741 3.040 -10.804 1.00 0.48 O ATOM 153 CG2 THR A 10 -4.499 2.250 -10.338 1.00 0.34 C ATOM 0 H THR A 10 -5.593 3.442 -13.689 1.00 0.34 H new ATOM 0 HA THR A 10 -5.496 5.062 -11.491 1.00 0.34 H new ATOM 0 HB THR A 10 -5.465 2.217 -12.208 1.00 0.37 H new ATOM 0 HG1 THR A 10 -7.352 3.359 -11.500 1.00 0.48 H new ATOM 0 HG21 THR A 10 -4.927 1.307 -9.999 1.00 0.34 H new ATOM 0 HG22 THR A 10 -3.529 2.063 -10.799 1.00 0.34 H new ATOM 0 HG23 THR A 10 -4.373 2.918 -9.486 1.00 0.34 H new ATOM 161 N ALA A 11 -2.487 3.850 -12.068 1.00 0.29 N ATOM 162 CA ALA A 11 -1.076 4.117 -11.772 1.00 0.28 C ATOM 163 C ALA A 11 -0.757 5.605 -11.839 1.00 0.30 C ATOM 164 O ALA A 11 -0.255 6.187 -10.886 1.00 0.31 O ATOM 165 CB ALA A 11 -0.181 3.377 -12.743 1.00 0.31 C ATOM 0 H ALA A 11 -2.644 3.134 -12.777 1.00 0.29 H new ATOM 0 HA ALA A 11 -0.891 3.767 -10.756 1.00 0.28 H new ATOM 0 HB1 ALA A 11 0.863 3.587 -12.508 1.00 0.31 H new ATOM 0 HB2 ALA A 11 -0.363 2.305 -12.661 1.00 0.31 H new ATOM 0 HB3 ALA A 11 -0.397 3.705 -13.760 1.00 0.31 H new ATOM 171 N GLN A 12 -1.049 6.209 -12.971 1.00 0.35 N ATOM 172 CA GLN A 12 -0.761 7.618 -13.188 1.00 0.40 C ATOM 173 C GLN A 12 -1.763 8.515 -12.462 1.00 0.40 C ATOM 174 O GLN A 12 -1.612 9.735 -12.436 1.00 0.45 O ATOM 175 CB GLN A 12 -0.741 7.903 -14.686 1.00 0.48 C ATOM 176 CG GLN A 12 0.344 7.118 -15.401 1.00 0.98 C ATOM 177 CD GLN A 12 0.250 7.186 -16.912 1.00 0.97 C ATOM 178 OE1 GLN A 12 0.641 6.247 -17.604 1.00 1.30 O ATOM 179 NE2 GLN A 12 -0.257 8.289 -17.436 1.00 1.64 N ATOM 0 H GLN A 12 -1.490 5.744 -13.765 1.00 0.35 H new ATOM 0 HA GLN A 12 0.220 7.845 -12.770 1.00 0.40 H new ATOM 0 HB2 GLN A 12 -1.711 7.653 -15.115 1.00 0.48 H new ATOM 0 HB3 GLN A 12 -0.585 8.969 -14.850 1.00 0.48 H new ATOM 0 HG2 GLN A 12 1.318 7.495 -15.089 1.00 0.98 H new ATOM 0 HG3 GLN A 12 0.291 6.075 -15.089 1.00 0.98 H new ATOM 0 HE21 GLN A 12 -0.570 9.045 -16.828 1.00 1.64 H new ATOM 0 HE22 GLN A 12 -0.335 8.383 -18.449 1.00 1.64 H new ATOM 188 N GLU A 13 -2.780 7.904 -11.871 1.00 0.38 N ATOM 189 CA GLU A 13 -3.718 8.630 -11.018 1.00 0.39 C ATOM 190 C GLU A 13 -3.118 8.801 -9.633 1.00 0.37 C ATOM 191 O GLU A 13 -3.025 9.909 -9.111 1.00 0.42 O ATOM 192 CB GLU A 13 -5.054 7.889 -10.909 1.00 0.43 C ATOM 193 CG GLU A 13 -5.842 7.864 -12.204 1.00 1.10 C ATOM 194 CD GLU A 13 -6.193 9.250 -12.697 1.00 1.65 C ATOM 195 OE1 GLU A 13 -7.121 9.866 -12.136 1.00 1.64 O ATOM 196 OE2 GLU A 13 -5.546 9.733 -13.648 1.00 2.54 O ATOM 0 H GLU A 13 -2.979 6.908 -11.965 1.00 0.38 H new ATOM 0 HA GLU A 13 -3.903 9.606 -11.467 1.00 0.39 H new ATOM 0 HB2 GLU A 13 -4.866 6.864 -10.588 1.00 0.43 H new ATOM 0 HB3 GLU A 13 -5.659 8.360 -10.134 1.00 0.43 H new ATOM 0 HG2 GLU A 13 -5.262 7.346 -12.968 1.00 1.10 H new ATOM 0 HG3 GLU A 13 -6.758 7.292 -12.057 1.00 1.10 H new ATOM 203 N VAL A 14 -2.684 7.689 -9.062 1.00 0.34 N ATOM 204 CA VAL A 14 -2.073 7.688 -7.743 1.00 0.33 C ATOM 205 C VAL A 14 -0.723 8.389 -7.777 1.00 0.33 C ATOM 206 O VAL A 14 -0.347 9.123 -6.857 1.00 0.36 O ATOM 207 CB VAL A 14 -1.901 6.253 -7.219 1.00 0.32 C ATOM 208 CG1 VAL A 14 -1.117 5.406 -8.185 1.00 0.53 C ATOM 209 CG2 VAL A 14 -1.239 6.246 -5.864 1.00 0.49 C ATOM 0 H VAL A 14 -2.745 6.768 -9.496 1.00 0.34 H new ATOM 0 HA VAL A 14 -2.736 8.229 -7.068 1.00 0.33 H new ATOM 0 HB VAL A 14 -2.898 5.823 -7.120 1.00 0.32 H new ATOM 0 HG11 VAL A 14 -1.014 4.398 -7.784 1.00 0.53 H new ATOM 0 HG12 VAL A 14 -1.640 5.365 -9.140 1.00 0.53 H new ATOM 0 HG13 VAL A 14 -0.128 5.841 -8.331 1.00 0.53 H new ATOM 0 HG21 VAL A 14 -1.130 5.218 -5.518 1.00 0.49 H new ATOM 0 HG22 VAL A 14 -0.256 6.711 -5.937 1.00 0.49 H new ATOM 0 HG23 VAL A 14 -1.852 6.804 -5.157 1.00 0.49 H new ATOM 219 N LEU A 15 0.001 8.160 -8.855 1.00 0.32 N ATOM 220 CA LEU A 15 1.231 8.852 -9.113 1.00 0.33 C ATOM 221 C LEU A 15 0.926 10.308 -9.367 1.00 0.39 C ATOM 222 O LEU A 15 1.772 11.188 -9.213 1.00 0.43 O ATOM 223 CB LEU A 15 1.846 8.266 -10.345 1.00 0.34 C ATOM 224 CG LEU A 15 3.254 8.701 -10.612 1.00 0.43 C ATOM 225 CD1 LEU A 15 4.162 7.505 -10.491 1.00 0.56 C ATOM 226 CD2 LEU A 15 3.371 9.336 -11.987 1.00 0.60 C ATOM 0 H LEU A 15 -0.256 7.484 -9.575 1.00 0.32 H new ATOM 0 HA LEU A 15 1.909 8.757 -8.265 1.00 0.33 H new ATOM 0 HB2 LEU A 15 1.826 7.179 -10.262 1.00 0.34 H new ATOM 0 HB3 LEU A 15 1.229 8.532 -11.204 1.00 0.34 H new ATOM 0 HG LEU A 15 3.548 9.454 -9.881 1.00 0.43 H new ATOM 0 HD11 LEU A 15 5.191 7.809 -10.683 1.00 0.56 H new ATOM 0 HD12 LEU A 15 4.087 7.092 -9.485 1.00 0.56 H new ATOM 0 HD13 LEU A 15 3.865 6.748 -11.217 1.00 0.56 H new ATOM 0 HD21 LEU A 15 4.402 9.644 -12.159 1.00 0.60 H new ATOM 0 HD22 LEU A 15 3.077 8.613 -12.748 1.00 0.60 H new ATOM 0 HD23 LEU A 15 2.718 10.207 -12.042 1.00 0.60 H new ATOM 238 N GLY A 16 -0.312 10.537 -9.757 1.00 0.43 N ATOM 239 CA GLY A 16 -0.795 11.884 -9.965 1.00 0.50 C ATOM 240 C GLY A 16 -0.787 12.645 -8.666 1.00 0.50 C ATOM 241 O GLY A 16 -0.707 13.877 -8.640 1.00 0.57 O ATOM 0 H GLY A 16 -1.001 9.806 -9.936 1.00 0.43 H new ATOM 0 HA2 GLY A 16 -0.169 12.394 -10.697 1.00 0.50 H new ATOM 0 HA3 GLY A 16 -1.805 11.857 -10.373 1.00 0.50 H new ATOM 245 N TYR A 17 -0.820 11.894 -7.577 1.00 0.45 N ATOM 246 CA TYR A 17 -0.768 12.483 -6.251 1.00 0.48 C ATOM 247 C TYR A 17 0.675 12.592 -5.805 1.00 0.50 C ATOM 248 O TYR A 17 0.996 13.332 -4.881 1.00 0.64 O ATOM 249 CB TYR A 17 -1.570 11.666 -5.241 1.00 0.49 C ATOM 250 CG TYR A 17 -3.071 11.775 -5.410 1.00 0.96 C ATOM 251 CD1 TYR A 17 -3.681 11.423 -6.608 1.00 1.41 C ATOM 252 CD2 TYR A 17 -3.873 12.245 -4.382 1.00 1.59 C ATOM 253 CE1 TYR A 17 -5.050 11.534 -6.771 1.00 2.13 C ATOM 254 CE2 TYR A 17 -5.239 12.360 -4.535 1.00 2.29 C ATOM 255 CZ TYR A 17 -5.831 11.945 -5.710 1.00 2.49 C ATOM 256 OH TYR A 17 -7.188 12.123 -5.891 1.00 3.27 O ATOM 0 H TYR A 17 -0.883 10.876 -7.586 1.00 0.45 H new ATOM 0 HA TYR A 17 -1.216 13.476 -6.300 1.00 0.48 H new ATOM 0 HB2 TYR A 17 -1.281 10.618 -5.326 1.00 0.49 H new ATOM 0 HB3 TYR A 17 -1.304 11.990 -4.235 1.00 0.49 H new ATOM 0 HD1 TYR A 17 -3.077 11.057 -7.425 1.00 1.41 H new ATOM 0 HD2 TYR A 17 -3.420 12.527 -3.443 1.00 1.59 H new ATOM 0 HE1 TYR A 17 -5.505 11.301 -7.722 1.00 2.13 H new ATOM 0 HE2 TYR A 17 -5.842 12.773 -3.739 1.00 2.29 H new ATOM 0 HH TYR A 17 -7.595 12.413 -5.048 1.00 3.27 H new ATOM 266 N ASN A 18 1.553 11.855 -6.483 1.00 0.43 N ATOM 267 CA ASN A 18 2.974 11.924 -6.200 1.00 0.51 C ATOM 268 C ASN A 18 3.561 13.198 -6.795 1.00 0.62 C ATOM 269 O ASN A 18 4.670 13.612 -6.460 1.00 0.77 O ATOM 270 CB ASN A 18 3.658 10.684 -6.761 1.00 0.60 C ATOM 271 CG ASN A 18 5.121 10.571 -6.366 1.00 1.20 C ATOM 272 OD1 ASN A 18 5.916 9.984 -7.090 1.00 2.03 O ATOM 273 ND2 ASN A 18 5.486 11.121 -5.216 1.00 1.65 N ATOM 0 H ASN A 18 1.300 11.207 -7.229 1.00 0.43 H new ATOM 0 HA ASN A 18 3.138 11.953 -5.123 1.00 0.51 H new ATOM 0 HB2 ASN A 18 3.127 9.797 -6.416 1.00 0.60 H new ATOM 0 HB3 ASN A 18 3.583 10.697 -7.848 1.00 0.60 H new ATOM 0 HD21 ASN A 18 6.457 11.063 -4.908 1.00 1.65 H new ATOM 0 HD22 ASN A 18 4.796 11.602 -4.639 1.00 1.65 H new ATOM 280 N ARG A 19 2.793 13.822 -7.674 1.00 0.61 N ATOM 281 CA ARG A 19 3.172 15.104 -8.243 1.00 0.80 C ATOM 282 C ARG A 19 2.203 16.182 -7.770 1.00 0.90 C ATOM 283 O ARG A 19 2.221 17.317 -8.246 1.00 1.10 O ATOM 284 CB ARG A 19 3.202 15.021 -9.771 1.00 0.83 C ATOM 285 CG ARG A 19 1.866 14.666 -10.396 1.00 1.26 C ATOM 286 CD ARG A 19 2.047 13.713 -11.562 1.00 1.01 C ATOM 287 NE ARG A 19 0.800 13.481 -12.289 1.00 1.65 N ATOM 288 CZ ARG A 19 0.699 12.689 -13.353 1.00 1.85 C ATOM 289 NH1 ARG A 19 1.774 12.078 -13.836 1.00 1.70 N ATOM 290 NH2 ARG A 19 -0.479 12.516 -13.938 1.00 2.72 N ATOM 0 H ARG A 19 1.901 13.459 -8.009 1.00 0.61 H new ATOM 0 HA ARG A 19 4.174 15.366 -7.904 1.00 0.80 H new ATOM 0 HB2 ARG A 19 3.535 15.979 -10.170 1.00 0.83 H new ATOM 0 HB3 ARG A 19 3.940 14.277 -10.070 1.00 0.83 H new ATOM 0 HG2 ARG A 19 1.219 14.210 -9.646 1.00 1.26 H new ATOM 0 HG3 ARG A 19 1.368 15.573 -10.737 1.00 1.26 H new ATOM 0 HD2 ARG A 19 2.794 14.117 -12.246 1.00 1.01 H new ATOM 0 HD3 ARG A 19 2.433 12.762 -11.194 1.00 1.01 H new ATOM 0 HE ARG A 19 -0.042 13.954 -11.961 1.00 1.65 H new ATOM 0 HH11 ARG A 19 2.682 12.215 -13.391 1.00 1.70 H new ATOM 0 HH12 ARG A 19 1.692 11.471 -14.652 1.00 1.70 H new ATOM 0 HH21 ARG A 19 -1.305 12.990 -13.572 1.00 2.72 H new ATOM 0 HH22 ARG A 19 -0.559 11.909 -14.754 1.00 2.72 H new ATOM 304 N ASP A 20 1.355 15.803 -6.822 1.00 0.87 N ATOM 305 CA ASP A 20 0.425 16.731 -6.196 1.00 1.08 C ATOM 306 C ASP A 20 0.808 16.927 -4.737 1.00 0.94 C ATOM 307 O ASP A 20 0.402 16.153 -3.869 1.00 1.32 O ATOM 308 CB ASP A 20 -1.004 16.205 -6.278 1.00 1.59 C ATOM 309 CG ASP A 20 -2.007 17.167 -5.677 1.00 1.74 C ATOM 310 OD1 ASP A 20 -2.420 18.117 -6.373 1.00 1.91 O ATOM 311 OD2 ASP A 20 -2.391 16.983 -4.506 1.00 2.16 O ATOM 0 H ASP A 20 1.293 14.848 -6.468 1.00 0.87 H new ATOM 0 HA ASP A 20 0.477 17.682 -6.726 1.00 1.08 H new ATOM 0 HB2 ASP A 20 -1.261 16.020 -7.321 1.00 1.59 H new ATOM 0 HB3 ASP A 20 -1.067 15.248 -5.760 1.00 1.59 H new ATOM 316 N THR A 21 1.608 17.941 -4.463 1.00 0.91 N ATOM 317 CA THR A 21 2.093 18.159 -3.114 1.00 1.05 C ATOM 318 C THR A 21 1.909 19.603 -2.682 1.00 1.13 C ATOM 319 O THR A 21 2.802 20.437 -2.843 1.00 1.46 O ATOM 320 CB THR A 21 3.571 17.749 -2.999 1.00 1.45 C ATOM 321 OG1 THR A 21 4.345 18.343 -4.054 1.00 1.82 O ATOM 322 CG2 THR A 21 3.687 16.240 -3.068 1.00 1.70 C ATOM 0 H THR A 21 1.933 18.621 -5.150 1.00 0.91 H new ATOM 0 HA THR A 21 1.501 17.534 -2.445 1.00 1.05 H new ATOM 0 HB THR A 21 3.958 18.103 -2.043 1.00 1.45 H new ATOM 0 HG1 THR A 21 4.155 19.303 -4.098 1.00 1.82 H new ATOM 0 HG21 THR A 21 4.735 15.952 -2.986 1.00 1.70 H new ATOM 0 HG22 THR A 21 3.123 15.794 -2.249 1.00 1.70 H new ATOM 0 HG23 THR A 21 3.287 15.887 -4.019 1.00 1.70 H new ATOM 330 N SER A 22 0.748 19.885 -2.109 1.00 1.05 N ATOM 331 CA SER A 22 0.420 21.241 -1.682 1.00 1.30 C ATOM 332 C SER A 22 -0.944 21.289 -0.997 1.00 1.31 C ATOM 333 O SER A 22 -1.077 21.821 0.107 1.00 2.15 O ATOM 334 CB SER A 22 0.431 22.195 -2.885 1.00 1.67 C ATOM 335 OG SER A 22 0.206 23.537 -2.490 1.00 2.19 O ATOM 0 H SER A 22 0.018 19.196 -1.929 1.00 1.05 H new ATOM 0 HA SER A 22 1.177 21.558 -0.964 1.00 1.30 H new ATOM 0 HB2 SER A 22 1.390 22.122 -3.399 1.00 1.67 H new ATOM 0 HB3 SER A 22 -0.336 21.892 -3.597 1.00 1.67 H new ATOM 0 HG SER A 22 0.221 24.117 -3.280 1.00 2.19 H new ATOM 341 N GLY A 23 -1.949 20.717 -1.653 1.00 0.96 N ATOM 342 CA GLY A 23 -3.314 20.798 -1.160 1.00 1.10 C ATOM 343 C GLY A 23 -3.562 19.912 0.042 1.00 0.89 C ATOM 344 O GLY A 23 -4.618 19.989 0.674 1.00 1.01 O ATOM 0 H GLY A 23 -1.842 20.195 -2.523 1.00 0.96 H new ATOM 0 HA2 GLY A 23 -3.538 21.831 -0.895 1.00 1.10 H new ATOM 0 HA3 GLY A 23 -4.000 20.518 -1.959 1.00 1.10 H new ATOM 348 N TRP A 24 -2.598 19.059 0.347 1.00 0.79 N ATOM 349 CA TRP A 24 -2.681 18.194 1.509 1.00 0.66 C ATOM 350 C TRP A 24 -2.382 18.960 2.798 1.00 0.67 C ATOM 351 O TRP A 24 -2.436 20.192 2.836 1.00 0.83 O ATOM 352 CB TRP A 24 -1.736 16.990 1.341 1.00 0.71 C ATOM 353 CG TRP A 24 -0.264 17.295 1.356 1.00 0.81 C ATOM 354 CD1 TRP A 24 0.357 18.390 1.883 1.00 1.34 C ATOM 355 CD2 TRP A 24 0.775 16.452 0.853 1.00 0.87 C ATOM 356 NE1 TRP A 24 1.710 18.271 1.754 1.00 1.41 N ATOM 357 CE2 TRP A 24 1.996 17.095 1.118 1.00 0.99 C ATOM 358 CE3 TRP A 24 0.793 15.212 0.208 1.00 1.36 C ATOM 359 CZ2 TRP A 24 3.221 16.541 0.766 1.00 1.09 C ATOM 360 CZ3 TRP A 24 2.009 14.664 -0.143 1.00 1.67 C ATOM 361 CH2 TRP A 24 3.208 15.327 0.139 1.00 1.37 C ATOM 0 H TRP A 24 -1.744 18.948 -0.199 1.00 0.79 H new ATOM 0 HA TRP A 24 -3.703 17.822 1.588 1.00 0.66 H new ATOM 0 HB2 TRP A 24 -1.946 16.276 2.137 1.00 0.71 H new ATOM 0 HB3 TRP A 24 -1.974 16.496 0.399 1.00 0.71 H new ATOM 0 HD1 TRP A 24 -0.149 19.229 2.337 1.00 1.34 H new ATOM 0 HE1 TRP A 24 2.398 18.950 2.080 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -0.128 14.693 -0.011 1.00 1.36 H new ATOM 0 HZ2 TRP A 24 4.149 17.051 0.980 1.00 1.09 H new ATOM 0 HZ3 TRP A 24 2.036 13.707 -0.644 1.00 1.67 H new ATOM 0 HH2 TRP A 24 4.144 14.869 -0.145 1.00 1.37 H new ATOM 372 N LYS A 25 -2.047 18.220 3.839 1.00 0.60 N ATOM 373 CA LYS A 25 -1.830 18.769 5.148 1.00 0.70 C ATOM 374 C LYS A 25 -1.267 17.692 6.047 1.00 0.61 C ATOM 375 O LYS A 25 -1.940 16.699 6.326 1.00 0.59 O ATOM 376 CB LYS A 25 -3.132 19.272 5.745 1.00 0.89 C ATOM 377 CG LYS A 25 -2.897 20.114 6.975 1.00 1.29 C ATOM 378 CD LYS A 25 -2.902 21.607 6.663 1.00 1.62 C ATOM 379 CE LYS A 25 -1.786 21.996 5.701 1.00 2.23 C ATOM 380 NZ LYS A 25 -1.765 23.457 5.437 1.00 2.95 N ATOM 0 H LYS A 25 -1.919 17.209 3.790 1.00 0.60 H new ATOM 0 HA LYS A 25 -1.134 19.604 5.064 1.00 0.70 H new ATOM 0 HB2 LYS A 25 -3.670 19.859 5.001 1.00 0.89 H new ATOM 0 HB3 LYS A 25 -3.766 18.423 6.001 1.00 0.89 H new ATOM 0 HG2 LYS A 25 -3.668 19.897 7.714 1.00 1.29 H new ATOM 0 HG3 LYS A 25 -1.941 19.842 7.422 1.00 1.29 H new ATOM 0 HD2 LYS A 25 -3.864 21.883 6.232 1.00 1.62 H new ATOM 0 HD3 LYS A 25 -2.794 22.171 7.590 1.00 1.62 H new ATOM 0 HE2 LYS A 25 -0.826 21.688 6.116 1.00 2.23 H new ATOM 0 HE3 LYS A 25 -1.914 21.459 4.761 1.00 2.23 H new ATOM 0 HZ1 LYS A 25 -0.992 23.680 4.778 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 -2.671 23.747 5.018 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 -1.617 23.969 6.330 1.00 2.95 H new ATOM 394 N VAL A 26 -0.042 17.873 6.486 1.00 0.63 N ATOM 395 CA VAL A 26 0.596 16.885 7.329 1.00 0.58 C ATOM 396 C VAL A 26 -0.095 16.746 8.653 1.00 0.66 C ATOM 397 O VAL A 26 -0.345 17.720 9.363 1.00 0.80 O ATOM 398 CB VAL A 26 2.076 17.152 7.554 1.00 0.64 C ATOM 399 CG1 VAL A 26 2.841 16.641 6.376 1.00 1.22 C ATOM 400 CG2 VAL A 26 2.349 18.616 7.752 1.00 1.56 C ATOM 0 H VAL A 26 0.531 18.690 6.275 1.00 0.63 H new ATOM 0 HA VAL A 26 0.508 15.947 6.780 1.00 0.58 H new ATOM 0 HB VAL A 26 2.392 16.637 8.461 1.00 0.64 H new ATOM 0 HG11 VAL A 26 3.905 16.826 6.525 1.00 1.22 H new ATOM 0 HG12 VAL A 26 2.671 15.570 6.269 1.00 1.22 H new ATOM 0 HG13 VAL A 26 2.506 17.154 5.474 1.00 1.22 H new ATOM 0 HG21 VAL A 26 3.417 18.769 7.910 1.00 1.56 H new ATOM 0 HG22 VAL A 26 2.030 19.168 6.868 1.00 1.56 H new ATOM 0 HG23 VAL A 26 1.799 18.974 8.622 1.00 1.56 H new ATOM 410 N VAL A 27 -0.408 15.517 8.958 1.00 0.62 N ATOM 411 CA VAL A 27 -1.097 15.182 10.171 1.00 0.73 C ATOM 412 C VAL A 27 -0.247 14.264 11.027 1.00 0.76 C ATOM 413 O VAL A 27 -0.414 14.211 12.246 1.00 0.90 O ATOM 414 CB VAL A 27 -2.444 14.501 9.869 1.00 0.75 C ATOM 415 CG1 VAL A 27 -3.472 15.527 9.424 1.00 1.21 C ATOM 416 CG2 VAL A 27 -2.259 13.424 8.806 1.00 1.22 C ATOM 0 H VAL A 27 -0.190 14.715 8.367 1.00 0.62 H new ATOM 0 HA VAL A 27 -1.286 16.108 10.714 1.00 0.73 H new ATOM 0 HB VAL A 27 -2.811 14.029 10.780 1.00 0.75 H new ATOM 0 HG11 VAL A 27 -4.418 15.027 9.215 1.00 1.21 H new ATOM 0 HG12 VAL A 27 -3.617 16.263 10.215 1.00 1.21 H new ATOM 0 HG13 VAL A 27 -3.119 16.028 8.523 1.00 1.21 H new ATOM 0 HG21 VAL A 27 -3.218 12.948 8.599 1.00 1.22 H new ATOM 0 HG22 VAL A 27 -1.874 13.877 7.892 1.00 1.22 H new ATOM 0 HG23 VAL A 27 -1.553 12.676 9.165 1.00 1.22 H new ATOM 426 N LYS A 28 0.668 13.541 10.394 1.00 0.65 N ATOM 427 CA LYS A 28 1.437 12.546 11.119 1.00 0.68 C ATOM 428 C LYS A 28 2.851 12.437 10.583 1.00 0.58 C ATOM 429 O LYS A 28 3.059 12.299 9.386 1.00 0.55 O ATOM 430 CB LYS A 28 0.744 11.183 11.042 1.00 0.77 C ATOM 431 CG LYS A 28 1.009 10.311 12.252 1.00 0.87 C ATOM 432 CD LYS A 28 0.445 10.961 13.500 1.00 1.45 C ATOM 433 CE LYS A 28 0.888 10.242 14.765 1.00 2.02 C ATOM 434 NZ LYS A 28 2.369 10.197 14.902 1.00 2.41 N ATOM 0 H LYS A 28 0.891 13.623 9.402 1.00 0.65 H new ATOM 0 HA LYS A 28 1.494 12.865 12.160 1.00 0.68 H new ATOM 0 HB2 LYS A 28 -0.331 11.334 10.939 1.00 0.77 H new ATOM 0 HB3 LYS A 28 1.080 10.662 10.146 1.00 0.77 H new ATOM 0 HG2 LYS A 28 0.557 9.330 12.108 1.00 0.87 H new ATOM 0 HG3 LYS A 28 2.081 10.154 12.368 1.00 0.87 H new ATOM 0 HD2 LYS A 28 0.765 12.002 13.543 1.00 1.45 H new ATOM 0 HD3 LYS A 28 -0.644 10.964 13.447 1.00 1.45 H new ATOM 0 HE2 LYS A 28 0.460 10.743 15.633 1.00 2.02 H new ATOM 0 HE3 LYS A 28 0.495 9.225 14.758 1.00 2.02 H new ATOM 0 HZ1 LYS A 28 2.620 9.984 15.888 1.00 2.41 H new ATOM 0 HZ2 LYS A 28 2.753 9.458 14.280 1.00 2.41 H new ATOM 0 HZ3 LYS A 28 2.771 11.118 14.634 1.00 2.41 H new ATOM 448 N THR A 29 3.820 12.502 11.477 1.00 0.61 N ATOM 449 CA THR A 29 5.215 12.370 11.101 1.00 0.59 C ATOM 450 C THR A 29 5.999 11.670 12.199 1.00 0.72 C ATOM 451 O THR A 29 5.621 11.714 13.370 1.00 0.88 O ATOM 452 CB THR A 29 5.868 13.747 10.848 1.00 0.75 C ATOM 453 OG1 THR A 29 5.594 14.624 11.947 1.00 1.38 O ATOM 454 CG2 THR A 29 5.379 14.390 9.560 1.00 0.82 C ATOM 0 H THR A 29 3.665 12.646 12.475 1.00 0.61 H new ATOM 0 HA THR A 29 5.241 11.784 10.182 1.00 0.59 H new ATOM 0 HB THR A 29 6.941 13.582 10.752 1.00 0.75 H new ATOM 0 HG1 THR A 29 6.012 15.495 11.782 1.00 1.38 H new ATOM 0 HG21 THR A 29 5.867 15.356 9.427 1.00 0.82 H new ATOM 0 HG22 THR A 29 5.619 13.743 8.716 1.00 0.82 H new ATOM 0 HG23 THR A 29 4.300 14.533 9.612 1.00 0.82 H new ATOM 462 N SER A 30 7.072 11.001 11.813 1.00 0.80 N ATOM 463 CA SER A 30 7.996 10.449 12.787 1.00 1.04 C ATOM 464 C SER A 30 9.275 11.288 12.795 1.00 1.45 C ATOM 465 O SER A 30 9.282 12.391 13.341 1.00 2.37 O ATOM 466 CB SER A 30 8.284 8.970 12.500 1.00 1.24 C ATOM 467 OG SER A 30 9.106 8.397 13.502 1.00 1.93 O ATOM 0 H SER A 30 7.323 10.828 10.840 1.00 0.80 H new ATOM 0 HA SER A 30 7.546 10.490 13.779 1.00 1.04 H new ATOM 0 HB2 SER A 30 7.345 8.420 12.440 1.00 1.24 H new ATOM 0 HB3 SER A 30 8.771 8.875 11.530 1.00 1.24 H new ATOM 0 HG SER A 30 9.270 7.454 13.291 1.00 1.93 H new ATOM 473 N LYS A 31 10.345 10.803 12.167 1.00 1.32 N ATOM 474 CA LYS A 31 11.573 11.590 12.051 1.00 1.71 C ATOM 475 C LYS A 31 12.239 11.385 10.693 1.00 1.47 C ATOM 476 O LYS A 31 13.415 11.705 10.514 1.00 2.02 O ATOM 477 CB LYS A 31 12.561 11.232 13.169 1.00 2.29 C ATOM 478 CG LYS A 31 12.048 11.554 14.567 1.00 2.73 C ATOM 479 CD LYS A 31 13.101 11.298 15.633 1.00 3.59 C ATOM 480 CE LYS A 31 14.280 12.247 15.493 1.00 4.18 C ATOM 481 NZ LYS A 31 15.243 12.102 16.613 1.00 4.55 N ATOM 0 H LYS A 31 10.388 9.880 11.735 1.00 1.32 H new ATOM 0 HA LYS A 31 11.294 12.639 12.146 1.00 1.71 H new ATOM 0 HB2 LYS A 31 12.790 10.168 13.112 1.00 2.29 H new ATOM 0 HB3 LYS A 31 13.495 11.769 13.002 1.00 2.29 H new ATOM 0 HG2 LYS A 31 11.737 12.598 14.608 1.00 2.73 H new ATOM 0 HG3 LYS A 31 11.165 10.950 14.777 1.00 2.73 H new ATOM 0 HD2 LYS A 31 12.655 11.414 16.621 1.00 3.59 H new ATOM 0 HD3 LYS A 31 13.451 10.268 15.560 1.00 3.59 H new ATOM 0 HE2 LYS A 31 14.790 12.056 14.549 1.00 4.18 H new ATOM 0 HE3 LYS A 31 13.917 13.274 15.457 1.00 4.18 H new ATOM 0 HZ1 LYS A 31 16.032 12.766 16.480 1.00 4.55 H new ATOM 0 HZ2 LYS A 31 14.763 12.309 17.512 1.00 4.55 H new ATOM 0 HZ3 LYS A 31 15.609 11.129 16.632 1.00 4.55 H new ATOM 495 N LYS A 32 11.477 10.875 9.735 1.00 0.87 N ATOM 496 CA LYS A 32 11.982 10.648 8.381 1.00 0.69 C ATOM 497 C LYS A 32 10.827 10.307 7.441 1.00 0.51 C ATOM 498 O LYS A 32 11.032 9.945 6.280 1.00 0.59 O ATOM 499 CB LYS A 32 13.010 9.512 8.389 1.00 0.80 C ATOM 500 CG LYS A 32 13.946 9.509 7.191 1.00 1.00 C ATOM 501 CD LYS A 32 14.965 8.383 7.285 1.00 0.93 C ATOM 502 CE LYS A 32 16.014 8.483 6.190 1.00 1.14 C ATOM 503 NZ LYS A 32 16.821 9.723 6.309 1.00 1.42 N ATOM 0 H LYS A 32 10.502 10.608 9.868 1.00 0.87 H new ATOM 0 HA LYS A 32 12.466 11.558 8.026 1.00 0.69 H new ATOM 0 HB2 LYS A 32 13.604 9.582 9.300 1.00 0.80 H new ATOM 0 HB3 LYS A 32 12.482 8.559 8.425 1.00 0.80 H new ATOM 0 HG2 LYS A 32 13.366 9.401 6.275 1.00 1.00 H new ATOM 0 HG3 LYS A 32 14.464 10.466 7.130 1.00 1.00 H new ATOM 0 HD2 LYS A 32 15.452 8.413 8.260 1.00 0.93 H new ATOM 0 HD3 LYS A 32 14.454 7.423 7.213 1.00 0.93 H new ATOM 0 HE2 LYS A 32 16.672 7.615 6.237 1.00 1.14 H new ATOM 0 HE3 LYS A 32 15.525 8.460 5.216 1.00 1.14 H new ATOM 0 HZ1 LYS A 32 17.698 9.621 5.759 1.00 1.42 H new ATOM 0 HZ2 LYS A 32 16.275 10.529 5.943 1.00 1.42 H new ATOM 0 HZ3 LYS A 32 17.056 9.890 7.308 1.00 1.42 H new ATOM 517 N ILE A 33 9.610 10.447 7.959 1.00 0.37 N ATOM 518 CA ILE A 33 8.398 10.091 7.230 1.00 0.33 C ATOM 519 C ILE A 33 7.295 11.084 7.546 1.00 0.36 C ATOM 520 O ILE A 33 7.355 11.780 8.559 1.00 0.46 O ATOM 521 CB ILE A 33 7.922 8.665 7.570 1.00 0.41 C ATOM 522 CG1 ILE A 33 7.823 8.478 9.082 1.00 0.58 C ATOM 523 CG2 ILE A 33 8.854 7.628 6.965 1.00 0.76 C ATOM 524 CD1 ILE A 33 7.414 7.077 9.477 1.00 0.75 C ATOM 0 H ILE A 33 9.437 10.811 8.896 1.00 0.37 H new ATOM 0 HA ILE A 33 8.633 10.122 6.166 1.00 0.33 H new ATOM 0 HB ILE A 33 6.930 8.526 7.140 1.00 0.41 H new ATOM 0 HG12 ILE A 33 8.786 8.711 9.536 1.00 0.58 H new ATOM 0 HG13 ILE A 33 7.101 9.189 9.484 1.00 0.58 H new ATOM 0 HG21 ILE A 33 8.499 6.629 7.217 1.00 0.76 H new ATOM 0 HG22 ILE A 33 8.872 7.744 5.881 1.00 0.76 H new ATOM 0 HG23 ILE A 33 9.860 7.767 7.362 1.00 0.76 H new ATOM 0 HD11 ILE A 33 7.361 7.006 10.563 1.00 0.75 H new ATOM 0 HD12 ILE A 33 6.437 6.849 9.050 1.00 0.75 H new ATOM 0 HD13 ILE A 33 8.149 6.364 9.102 1.00 0.75 H new ATOM 536 N THR A 34 6.284 11.139 6.695 1.00 0.33 N ATOM 537 CA THR A 34 5.350 12.251 6.706 1.00 0.36 C ATOM 538 C THR A 34 4.014 11.878 6.056 1.00 0.36 C ATOM 539 O THR A 34 3.945 11.660 4.852 1.00 0.39 O ATOM 540 CB THR A 34 6.002 13.432 5.951 1.00 0.39 C ATOM 541 OG1 THR A 34 7.200 13.845 6.623 1.00 0.58 O ATOM 542 CG2 THR A 34 5.070 14.611 5.826 1.00 0.56 C ATOM 0 H THR A 34 6.090 10.428 5.990 1.00 0.33 H new ATOM 0 HA THR A 34 5.134 12.526 7.738 1.00 0.36 H new ATOM 0 HB THR A 34 6.237 13.081 4.946 1.00 0.39 H new ATOM 0 HG1 THR A 34 7.607 14.592 6.137 1.00 0.58 H new ATOM 0 HG21 THR A 34 5.572 15.416 5.289 1.00 0.56 H new ATOM 0 HG22 THR A 34 4.176 14.312 5.279 1.00 0.56 H new ATOM 0 HG23 THR A 34 4.788 14.959 6.820 1.00 0.56 H new ATOM 550 N VAL A 35 2.961 11.797 6.865 1.00 0.39 N ATOM 551 CA VAL A 35 1.624 11.506 6.368 1.00 0.40 C ATOM 552 C VAL A 35 0.849 12.799 6.224 1.00 0.40 C ATOM 553 O VAL A 35 0.615 13.507 7.208 1.00 0.44 O ATOM 554 CB VAL A 35 0.839 10.572 7.311 1.00 0.48 C ATOM 555 CG1 VAL A 35 -0.384 10.004 6.611 1.00 0.82 C ATOM 556 CG2 VAL A 35 1.721 9.457 7.819 1.00 0.86 C ATOM 0 H VAL A 35 3.012 11.930 7.875 1.00 0.39 H new ATOM 0 HA VAL A 35 1.739 11.004 5.407 1.00 0.40 H new ATOM 0 HB VAL A 35 0.504 11.160 8.165 1.00 0.48 H new ATOM 0 HG11 VAL A 35 -0.923 9.348 7.295 1.00 0.82 H new ATOM 0 HG12 VAL A 35 -1.037 10.820 6.300 1.00 0.82 H new ATOM 0 HG13 VAL A 35 -0.071 9.436 5.735 1.00 0.82 H new ATOM 0 HG21 VAL A 35 1.145 8.811 8.482 1.00 0.86 H new ATOM 0 HG22 VAL A 35 2.092 8.874 6.976 1.00 0.86 H new ATOM 0 HG23 VAL A 35 2.564 9.880 8.366 1.00 0.86 H new ATOM 566 N SER A 36 0.462 13.108 5.009 1.00 0.42 N ATOM 567 CA SER A 36 -0.220 14.347 4.732 1.00 0.42 C ATOM 568 C SER A 36 -1.607 14.070 4.174 1.00 0.43 C ATOM 569 O SER A 36 -1.763 13.338 3.196 1.00 0.47 O ATOM 570 CB SER A 36 0.620 15.166 3.765 1.00 0.45 C ATOM 571 OG SER A 36 1.999 14.856 3.908 1.00 1.10 O ATOM 0 H SER A 36 0.610 12.514 4.193 1.00 0.42 H new ATOM 0 HA SER A 36 -0.349 14.918 5.652 1.00 0.42 H new ATOM 0 HB2 SER A 36 0.302 14.967 2.742 1.00 0.45 H new ATOM 0 HB3 SER A 36 0.461 16.229 3.948 1.00 0.45 H new ATOM 0 HG SER A 36 2.514 15.331 3.222 1.00 1.10 H new ATOM 577 N SER A 37 -2.610 14.641 4.815 1.00 0.45 N ATOM 578 CA SER A 37 -3.986 14.338 4.493 1.00 0.48 C ATOM 579 C SER A 37 -4.625 15.417 3.631 1.00 0.53 C ATOM 580 O SER A 37 -4.356 16.605 3.789 1.00 0.59 O ATOM 581 CB SER A 37 -4.793 14.153 5.777 1.00 0.59 C ATOM 582 OG SER A 37 -4.729 15.312 6.589 1.00 1.27 O ATOM 0 H SER A 37 -2.493 15.321 5.566 1.00 0.45 H new ATOM 0 HA SER A 37 -3.991 13.413 3.917 1.00 0.48 H new ATOM 0 HB2 SER A 37 -5.832 13.935 5.529 1.00 0.59 H new ATOM 0 HB3 SER A 37 -4.411 13.295 6.331 1.00 0.59 H new ATOM 0 HG SER A 37 -5.478 15.310 7.221 1.00 1.27 H new ATOM 588 N LYS A 38 -5.465 14.975 2.718 1.00 0.59 N ATOM 589 CA LYS A 38 -6.282 15.865 1.903 1.00 0.76 C ATOM 590 C LYS A 38 -7.738 15.460 2.062 1.00 0.90 C ATOM 591 O LYS A 38 -8.061 14.282 1.954 1.00 1.69 O ATOM 592 CB LYS A 38 -5.923 15.797 0.409 1.00 0.99 C ATOM 593 CG LYS A 38 -4.447 15.647 0.094 1.00 1.06 C ATOM 594 CD LYS A 38 -4.118 16.276 -1.257 1.00 1.11 C ATOM 595 CE LYS A 38 -4.865 15.594 -2.395 1.00 1.44 C ATOM 596 NZ LYS A 38 -4.764 16.360 -3.665 1.00 1.91 N ATOM 0 H LYS A 38 -5.604 13.985 2.516 1.00 0.59 H new ATOM 0 HA LYS A 38 -6.100 16.884 2.243 1.00 0.76 H new ATOM 0 HB2 LYS A 38 -6.458 14.958 -0.037 1.00 0.99 H new ATOM 0 HB3 LYS A 38 -6.289 16.702 -0.075 1.00 0.99 H new ATOM 0 HG2 LYS A 38 -3.853 16.121 0.876 1.00 1.06 H new ATOM 0 HG3 LYS A 38 -4.177 14.591 0.085 1.00 1.06 H new ATOM 0 HD2 LYS A 38 -4.375 17.335 -1.237 1.00 1.11 H new ATOM 0 HD3 LYS A 38 -3.045 16.211 -1.436 1.00 1.11 H new ATOM 0 HE2 LYS A 38 -4.463 14.592 -2.543 1.00 1.44 H new ATOM 0 HE3 LYS A 38 -5.914 15.480 -2.123 1.00 1.44 H new ATOM 0 HZ1 LYS A 38 -5.394 15.937 -4.376 1.00 1.91 H new ATOM 0 HZ2 LYS A 38 -5.044 17.348 -3.498 1.00 1.91 H new ATOM 0 HZ3 LYS A 38 -3.783 16.332 -4.010 1.00 1.91 H new ATOM 722 N ASN A 46 -10.943 12.102 5.014 1.00 1.06 N ATOM 723 CA ASN A 46 -9.688 12.673 4.562 1.00 0.90 C ATOM 724 C ASN A 46 -8.746 11.589 4.070 1.00 0.81 C ATOM 725 O ASN A 46 -8.602 10.533 4.685 1.00 0.95 O ATOM 726 CB ASN A 46 -9.029 13.528 5.654 1.00 0.91 C ATOM 727 CG ASN A 46 -8.742 12.781 6.947 1.00 1.32 C ATOM 728 OD1 ASN A 46 -7.749 13.251 7.683 1.00 2.05 O flip ATOM 729 ND2 ASN A 46 -9.418 11.812 7.299 1.00 1.87 N flip ATOM 0 HA ASN A 46 -9.910 13.334 3.724 1.00 0.90 H new ATOM 0 HB2 ASN A 46 -8.094 13.933 5.267 1.00 0.91 H new ATOM 0 HB3 ASN A 46 -9.677 14.377 5.875 1.00 0.91 H new ATOM 0 HD21 ASN A 46 -10.177 11.477 6.705 1.00 1.87 H new ATOM 0 HD22 ASN A 46 -9.219 11.346 8.184 1.00 1.87 H new ATOM 736 N LEU A 47 -8.138 11.859 2.933 1.00 0.70 N ATOM 737 CA LEU A 47 -7.213 10.944 2.299 1.00 0.62 C ATOM 738 C LEU A 47 -5.817 11.167 2.867 1.00 0.54 C ATOM 739 O LEU A 47 -5.469 12.288 3.212 1.00 0.58 O ATOM 740 CB LEU A 47 -7.245 11.182 0.783 1.00 0.66 C ATOM 741 CG LEU A 47 -6.376 10.259 -0.073 1.00 0.70 C ATOM 742 CD1 LEU A 47 -6.951 10.167 -1.470 1.00 0.77 C ATOM 743 CD2 LEU A 47 -4.945 10.768 -0.143 1.00 0.87 C ATOM 0 H LEU A 47 -8.274 12.729 2.418 1.00 0.70 H new ATOM 0 HA LEU A 47 -7.497 9.910 2.495 1.00 0.62 H new ATOM 0 HB2 LEU A 47 -8.277 11.089 0.445 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -6.939 12.211 0.593 1.00 0.66 H new ATOM 0 HG LEU A 47 -6.368 9.271 0.388 1.00 0.70 H new ATOM 0 HD11 LEU A 47 -6.329 9.509 -2.077 1.00 0.77 H new ATOM 0 HD12 LEU A 47 -7.964 9.766 -1.421 1.00 0.77 H new ATOM 0 HD13 LEU A 47 -6.975 11.160 -1.920 1.00 0.77 H new ATOM 0 HD21 LEU A 47 -4.349 10.094 -0.757 1.00 0.87 H new ATOM 0 HD22 LEU A 47 -4.935 11.765 -0.583 1.00 0.87 H new ATOM 0 HD23 LEU A 47 -4.524 10.811 0.862 1.00 0.87 H new ATOM 755 N TYR A 48 -5.012 10.118 2.954 1.00 0.48 N ATOM 756 CA TYR A 48 -3.698 10.235 3.568 1.00 0.45 C ATOM 757 C TYR A 48 -2.599 9.796 2.603 1.00 0.46 C ATOM 758 O TYR A 48 -2.591 8.657 2.149 1.00 0.54 O ATOM 759 CB TYR A 48 -3.624 9.382 4.837 1.00 0.48 C ATOM 760 CG TYR A 48 -4.543 9.812 5.961 1.00 0.53 C ATOM 761 CD1 TYR A 48 -5.859 9.376 6.018 1.00 0.63 C ATOM 762 CD2 TYR A 48 -4.080 10.627 6.984 1.00 0.64 C ATOM 763 CE1 TYR A 48 -6.690 9.745 7.059 1.00 0.76 C ATOM 764 CE2 TYR A 48 -4.904 10.996 8.031 1.00 0.78 C ATOM 765 CZ TYR A 48 -6.205 10.554 8.064 1.00 0.82 C ATOM 766 OH TYR A 48 -7.023 10.918 9.111 1.00 0.99 O ATOM 0 H TYR A 48 -5.242 9.185 2.611 1.00 0.48 H new ATOM 0 HA TYR A 48 -3.545 11.284 3.823 1.00 0.45 H new ATOM 0 HB2 TYR A 48 -3.856 8.350 4.575 1.00 0.48 H new ATOM 0 HB3 TYR A 48 -2.598 9.395 5.204 1.00 0.48 H new ATOM 0 HD1 TYR A 48 -6.241 8.737 5.235 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -3.059 10.979 6.962 1.00 0.64 H new ATOM 0 HE1 TYR A 48 -7.714 9.401 7.085 1.00 0.76 H new ATOM 0 HE2 TYR A 48 -4.527 11.629 8.820 1.00 0.78 H new ATOM 0 HH TYR A 48 -7.399 11.806 8.939 1.00 0.99 H new ATOM 776 N ARG A 49 -1.689 10.712 2.286 1.00 0.45 N ATOM 777 CA ARG A 49 -0.501 10.396 1.485 1.00 0.48 C ATOM 778 C ARG A 49 0.743 10.485 2.369 1.00 0.40 C ATOM 779 O ARG A 49 1.054 11.551 2.898 1.00 0.48 O ATOM 780 CB ARG A 49 -0.358 11.372 0.295 1.00 0.59 C ATOM 781 CG ARG A 49 0.804 11.059 -0.667 1.00 0.71 C ATOM 782 CD ARG A 49 0.472 9.941 -1.628 1.00 1.32 C ATOM 783 NE ARG A 49 1.419 9.856 -2.733 1.00 1.69 N ATOM 784 CZ ARG A 49 1.510 8.818 -3.564 1.00 2.18 C ATOM 785 NH1 ARG A 49 0.735 7.756 -3.398 1.00 2.54 N ATOM 786 NH2 ARG A 49 2.392 8.839 -4.550 1.00 2.92 N ATOM 0 H ARG A 49 -1.749 11.689 2.573 1.00 0.45 H new ATOM 0 HA ARG A 49 -0.609 9.386 1.090 1.00 0.48 H new ATOM 0 HB2 ARG A 49 -1.289 11.370 -0.271 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -0.225 12.381 0.686 1.00 0.59 H new ATOM 0 HG2 ARG A 49 1.056 11.957 -1.232 1.00 0.71 H new ATOM 0 HG3 ARG A 49 1.687 10.787 -0.089 1.00 0.71 H new ATOM 0 HD2 ARG A 49 0.462 8.994 -1.089 1.00 1.32 H new ATOM 0 HD3 ARG A 49 -0.532 10.093 -2.025 1.00 1.32 H new ATOM 0 HE ARG A 49 2.053 10.642 -2.880 1.00 1.69 H new ATOM 0 HH11 ARG A 49 0.064 7.730 -2.631 1.00 2.54 H new ATOM 0 HH12 ARG A 49 0.810 6.965 -4.038 1.00 2.54 H new ATOM 0 HH21 ARG A 49 3.000 9.648 -4.673 1.00 2.92 H new ATOM 0 HH22 ARG A 49 2.464 8.046 -5.187 1.00 2.92 H new ATOM 800 N VAL A 50 1.447 9.374 2.538 1.00 0.37 N ATOM 801 CA VAL A 50 2.639 9.351 3.368 1.00 0.42 C ATOM 802 C VAL A 50 3.889 9.331 2.496 1.00 0.46 C ATOM 803 O VAL A 50 3.865 8.828 1.374 1.00 0.62 O ATOM 804 CB VAL A 50 2.647 8.161 4.366 1.00 0.63 C ATOM 805 CG1 VAL A 50 2.731 6.820 3.657 1.00 1.29 C ATOM 806 CG2 VAL A 50 3.784 8.302 5.366 1.00 1.33 C ATOM 0 H VAL A 50 1.212 8.478 2.111 1.00 0.37 H new ATOM 0 HA VAL A 50 2.633 10.262 3.966 1.00 0.42 H new ATOM 0 HB VAL A 50 1.699 8.189 4.903 1.00 0.63 H new ATOM 0 HG11 VAL A 50 2.734 6.018 4.395 1.00 1.29 H new ATOM 0 HG12 VAL A 50 1.871 6.703 2.997 1.00 1.29 H new ATOM 0 HG13 VAL A 50 3.648 6.776 3.070 1.00 1.29 H new ATOM 0 HG21 VAL A 50 3.770 7.457 6.055 1.00 1.33 H new ATOM 0 HG22 VAL A 50 4.736 8.321 4.835 1.00 1.33 H new ATOM 0 HG23 VAL A 50 3.663 9.229 5.926 1.00 1.33 H new ATOM 816 N GLU A 51 4.964 9.895 3.019 1.00 0.37 N ATOM 817 CA GLU A 51 6.181 10.100 2.259 1.00 0.37 C ATOM 818 C GLU A 51 7.395 10.133 3.181 1.00 0.38 C ATOM 819 O GLU A 51 7.464 10.944 4.105 1.00 0.56 O ATOM 820 CB GLU A 51 6.089 11.408 1.466 1.00 0.40 C ATOM 821 CG GLU A 51 7.422 11.860 0.898 1.00 0.47 C ATOM 822 CD GLU A 51 7.316 13.083 0.009 1.00 0.52 C ATOM 823 OE1 GLU A 51 6.564 14.012 0.370 1.00 1.07 O ATOM 824 OE2 GLU A 51 7.980 13.126 -1.046 1.00 1.02 O ATOM 0 H GLU A 51 5.016 10.223 3.983 1.00 0.37 H new ATOM 0 HA GLU A 51 6.298 9.268 1.565 1.00 0.37 H new ATOM 0 HB2 GLU A 51 5.378 11.281 0.649 1.00 0.40 H new ATOM 0 HB3 GLU A 51 5.694 12.191 2.114 1.00 0.40 H new ATOM 0 HG2 GLU A 51 8.104 12.076 1.720 1.00 0.47 H new ATOM 0 HG3 GLU A 51 7.861 11.042 0.327 1.00 0.47 H new ATOM 831 N GLY A 52 8.338 9.241 2.934 1.00 0.27 N ATOM 832 CA GLY A 52 9.577 9.237 3.679 1.00 0.29 C ATOM 833 C GLY A 52 10.683 8.574 2.895 1.00 0.25 C ATOM 834 O GLY A 52 10.415 7.847 1.943 1.00 0.29 O ATOM 0 H GLY A 52 8.266 8.513 2.224 1.00 0.27 H new ATOM 0 HA2 GLY A 52 9.862 10.261 3.921 1.00 0.29 H new ATOM 0 HA3 GLY A 52 9.434 8.714 4.625 1.00 0.29 H new ATOM 838 N ILE A 53 11.925 8.819 3.272 1.00 0.24 N ATOM 839 CA ILE A 53 13.043 8.246 2.543 1.00 0.23 C ATOM 840 C ILE A 53 13.563 6.991 3.229 1.00 0.23 C ATOM 841 O ILE A 53 13.808 6.978 4.436 1.00 0.30 O ATOM 842 CB ILE A 53 14.189 9.259 2.374 1.00 0.29 C ATOM 843 CG1 ILE A 53 13.662 10.513 1.675 1.00 0.37 C ATOM 844 CG2 ILE A 53 15.328 8.635 1.573 1.00 0.27 C ATOM 845 CD1 ILE A 53 14.636 11.666 1.667 1.00 0.58 C ATOM 0 H ILE A 53 12.184 9.403 4.068 1.00 0.24 H new ATOM 0 HA ILE A 53 12.671 7.978 1.554 1.00 0.23 H new ATOM 0 HB ILE A 53 14.575 9.537 3.355 1.00 0.29 H new ATOM 0 HG12 ILE A 53 13.404 10.262 0.646 1.00 0.37 H new ATOM 0 HG13 ILE A 53 12.742 10.831 2.166 1.00 0.37 H new ATOM 0 HG21 ILE A 53 16.133 9.361 1.460 1.00 0.27 H new ATOM 0 HG22 ILE A 53 15.703 7.756 2.098 1.00 0.27 H new ATOM 0 HG23 ILE A 53 14.963 8.342 0.589 1.00 0.27 H new ATOM 0 HD11 ILE A 53 14.188 12.517 1.153 1.00 0.58 H new ATOM 0 HD12 ILE A 53 14.876 11.946 2.693 1.00 0.58 H new ATOM 0 HD13 ILE A 53 15.548 11.368 1.149 1.00 0.58 H new ATOM 857 N ILE A 54 13.715 5.940 2.445 1.00 0.24 N ATOM 858 CA ILE A 54 14.242 4.683 2.926 1.00 0.26 C ATOM 859 C ILE A 54 15.657 4.475 2.387 1.00 0.29 C ATOM 860 O ILE A 54 15.865 4.444 1.178 1.00 0.31 O ATOM 861 CB ILE A 54 13.321 3.512 2.526 1.00 0.26 C ATOM 862 CG1 ILE A 54 11.921 3.768 3.079 1.00 0.32 C ATOM 863 CG2 ILE A 54 13.877 2.189 3.041 1.00 0.32 C ATOM 864 CD1 ILE A 54 10.922 2.703 2.729 1.00 0.35 C ATOM 0 H ILE A 54 13.475 5.937 1.454 1.00 0.24 H new ATOM 0 HA ILE A 54 14.283 4.712 4.015 1.00 0.26 H new ATOM 0 HB ILE A 54 13.270 3.445 1.439 1.00 0.26 H new ATOM 0 HG12 ILE A 54 11.980 3.854 4.164 1.00 0.32 H new ATOM 0 HG13 ILE A 54 11.562 4.726 2.703 1.00 0.32 H new ATOM 0 HG21 ILE A 54 13.212 1.376 2.748 1.00 0.32 H new ATOM 0 HG22 ILE A 54 14.866 2.020 2.616 1.00 0.32 H new ATOM 0 HG23 ILE A 54 13.950 2.224 4.128 1.00 0.32 H new ATOM 0 HD11 ILE A 54 9.953 2.958 3.158 1.00 0.35 H new ATOM 0 HD12 ILE A 54 10.831 2.631 1.645 1.00 0.35 H new ATOM 0 HD13 ILE A 54 11.256 1.746 3.129 1.00 0.35 H new ATOM 876 N PRO A 55 16.647 4.414 3.293 1.00 0.36 N ATOM 877 CA PRO A 55 18.070 4.219 2.954 1.00 0.44 C ATOM 878 C PRO A 55 18.367 2.874 2.288 1.00 0.47 C ATOM 879 O PRO A 55 19.113 2.047 2.823 1.00 0.62 O ATOM 880 CB PRO A 55 18.781 4.303 4.312 1.00 0.54 C ATOM 881 CG PRO A 55 17.814 4.982 5.216 1.00 0.53 C ATOM 882 CD PRO A 55 16.453 4.588 4.730 1.00 0.42 C ATOM 0 HA PRO A 55 18.399 4.961 2.226 1.00 0.44 H new ATOM 0 HB2 PRO A 55 19.038 3.311 4.684 1.00 0.54 H new ATOM 0 HB3 PRO A 55 19.711 4.866 4.236 1.00 0.54 H new ATOM 0 HG2 PRO A 55 17.964 4.674 6.251 1.00 0.53 H new ATOM 0 HG3 PRO A 55 17.942 6.064 5.184 1.00 0.53 H new ATOM 0 HD2 PRO A 55 16.107 3.669 5.203 1.00 0.42 H new ATOM 0 HD3 PRO A 55 15.711 5.357 4.946 1.00 0.42 H new ATOM 890 N GLU A 56 17.765 2.661 1.135 1.00 0.43 N ATOM 891 CA GLU A 56 18.022 1.505 0.324 1.00 0.49 C ATOM 892 C GLU A 56 17.757 1.860 -1.136 1.00 0.46 C ATOM 893 O GLU A 56 17.550 3.031 -1.456 1.00 0.60 O ATOM 894 CB GLU A 56 17.112 0.384 0.791 1.00 0.66 C ATOM 895 CG GLU A 56 17.490 -0.980 0.271 1.00 0.77 C ATOM 896 CD GLU A 56 18.967 -1.279 0.405 1.00 1.18 C ATOM 897 OE1 GLU A 56 19.374 -1.801 1.464 1.00 1.38 O ATOM 898 OE2 GLU A 56 19.728 -0.988 -0.539 1.00 1.68 O ATOM 0 H GLU A 56 17.076 3.299 0.737 1.00 0.43 H new ATOM 0 HA GLU A 56 19.058 1.179 0.416 1.00 0.49 H new ATOM 0 HB2 GLU A 56 17.116 0.358 1.881 1.00 0.66 H new ATOM 0 HB3 GLU A 56 16.091 0.608 0.481 1.00 0.66 H new ATOM 0 HG2 GLU A 56 16.922 -1.738 0.810 1.00 0.77 H new ATOM 0 HG3 GLU A 56 17.204 -1.054 -0.778 1.00 0.77 H new ATOM 905 N SER A 57 17.771 0.872 -2.013 1.00 0.45 N ATOM 906 CA SER A 57 17.468 1.083 -3.391 1.00 0.45 C ATOM 907 C SER A 57 15.977 0.914 -3.641 1.00 0.43 C ATOM 908 O SER A 57 15.304 0.096 -3.006 1.00 0.43 O ATOM 909 CB SER A 57 18.270 0.104 -4.250 1.00 0.53 C ATOM 910 OG SER A 57 17.990 -1.241 -3.890 1.00 1.18 O ATOM 0 H SER A 57 17.995 -0.095 -1.776 1.00 0.45 H new ATOM 0 HA SER A 57 17.744 2.102 -3.663 1.00 0.45 H new ATOM 0 HB2 SER A 57 18.032 0.259 -5.302 1.00 0.53 H new ATOM 0 HB3 SER A 57 19.336 0.301 -4.132 1.00 0.53 H new ATOM 0 HG SER A 57 18.514 -1.847 -4.455 1.00 1.18 H new ATOM 916 N PRO A 58 15.460 1.700 -4.590 1.00 0.44 N ATOM 917 CA PRO A 58 14.063 1.646 -5.031 1.00 0.43 C ATOM 918 C PRO A 58 13.721 0.277 -5.601 1.00 0.46 C ATOM 919 O PRO A 58 12.556 -0.056 -5.830 1.00 0.46 O ATOM 920 CB PRO A 58 13.984 2.729 -6.119 1.00 0.44 C ATOM 921 CG PRO A 58 15.165 3.609 -5.876 1.00 0.49 C ATOM 922 CD PRO A 58 16.225 2.728 -5.296 1.00 0.52 C ATOM 0 HA PRO A 58 13.358 1.811 -4.217 1.00 0.43 H new ATOM 0 HB2 PRO A 58 14.018 2.290 -7.116 1.00 0.44 H new ATOM 0 HB3 PRO A 58 13.052 3.291 -6.050 1.00 0.44 H new ATOM 0 HG2 PRO A 58 15.505 4.070 -6.803 1.00 0.49 H new ATOM 0 HG3 PRO A 58 14.913 4.419 -5.191 1.00 0.49 H new ATOM 0 HD2 PRO A 58 16.858 2.297 -6.071 1.00 0.52 H new ATOM 0 HD3 PRO A 58 16.879 3.278 -4.620 1.00 0.52 H new ATOM 930 N ALA A 59 14.763 -0.512 -5.811 1.00 0.50 N ATOM 931 CA ALA A 59 14.633 -1.863 -6.302 1.00 0.54 C ATOM 932 C ALA A 59 14.198 -2.798 -5.199 1.00 0.50 C ATOM 933 O ALA A 59 13.224 -3.528 -5.347 1.00 0.51 O ATOM 934 CB ALA A 59 15.952 -2.336 -6.871 1.00 0.64 C ATOM 0 H ALA A 59 15.727 -0.225 -5.642 1.00 0.50 H new ATOM 0 HA ALA A 59 13.874 -1.868 -7.084 1.00 0.54 H new ATOM 0 HB1 ALA A 59 15.845 -3.356 -7.239 1.00 0.64 H new ATOM 0 HB2 ALA A 59 16.249 -1.683 -7.692 1.00 0.64 H new ATOM 0 HB3 ALA A 59 16.714 -2.310 -6.093 1.00 0.64 H new ATOM 940 N LYS A 60 14.913 -2.755 -4.083 1.00 0.49 N ATOM 941 CA LYS A 60 14.618 -3.632 -2.970 1.00 0.49 C ATOM 942 C LYS A 60 13.261 -3.254 -2.414 1.00 0.42 C ATOM 943 O LYS A 60 12.520 -4.086 -1.890 1.00 0.43 O ATOM 944 CB LYS A 60 15.696 -3.504 -1.897 1.00 0.58 C ATOM 945 CG LYS A 60 15.635 -4.587 -0.832 1.00 0.65 C ATOM 946 CD LYS A 60 16.833 -5.513 -0.910 1.00 1.35 C ATOM 947 CE LYS A 60 18.132 -4.764 -0.654 1.00 2.45 C ATOM 948 NZ LYS A 60 19.318 -5.663 -0.691 1.00 3.30 N ATOM 0 H LYS A 60 15.698 -2.122 -3.929 1.00 0.49 H new ATOM 0 HA LYS A 60 14.603 -4.670 -3.303 1.00 0.49 H new ATOM 0 HB2 LYS A 60 16.675 -3.532 -2.374 1.00 0.58 H new ATOM 0 HB3 LYS A 60 15.603 -2.530 -1.417 1.00 0.58 H new ATOM 0 HG2 LYS A 60 15.594 -4.126 0.155 1.00 0.65 H new ATOM 0 HG3 LYS A 60 14.719 -5.165 -0.952 1.00 0.65 H new ATOM 0 HD2 LYS A 60 16.723 -6.314 -0.179 1.00 1.35 H new ATOM 0 HD3 LYS A 60 16.869 -5.981 -1.894 1.00 1.35 H new ATOM 0 HE2 LYS A 60 18.250 -3.979 -1.401 1.00 2.45 H new ATOM 0 HE3 LYS A 60 18.081 -4.273 0.318 1.00 2.45 H new ATOM 0 HZ1 LYS A 60 20.179 -5.109 -0.511 1.00 3.30 H new ATOM 0 HZ2 LYS A 60 19.220 -6.397 0.039 1.00 3.30 H new ATOM 0 HZ3 LYS A 60 19.384 -6.112 -1.627 1.00 3.30 H new ATOM 962 N LEU A 61 12.950 -1.973 -2.549 1.00 0.37 N ATOM 963 CA LEU A 61 11.649 -1.452 -2.185 1.00 0.35 C ATOM 964 C LEU A 61 10.559 -2.122 -3.009 1.00 0.38 C ATOM 965 O LEU A 61 9.674 -2.784 -2.466 1.00 0.41 O ATOM 966 CB LEU A 61 11.617 0.063 -2.373 1.00 0.34 C ATOM 967 CG LEU A 61 12.458 0.857 -1.363 1.00 0.31 C ATOM 968 CD1 LEU A 61 12.299 2.343 -1.592 1.00 0.34 C ATOM 969 CD2 LEU A 61 12.041 0.509 0.050 1.00 0.30 C ATOM 0 H LEU A 61 13.594 -1.271 -2.913 1.00 0.37 H new ATOM 0 HA LEU A 61 11.464 -1.672 -1.134 1.00 0.35 H new ATOM 0 HB2 LEU A 61 11.966 0.297 -3.379 1.00 0.34 H new ATOM 0 HB3 LEU A 61 10.583 0.401 -2.308 1.00 0.34 H new ATOM 0 HG LEU A 61 13.506 0.591 -1.503 1.00 0.31 H new ATOM 0 HD11 LEU A 61 12.902 2.889 -0.867 1.00 0.34 H new ATOM 0 HD12 LEU A 61 12.629 2.593 -2.600 1.00 0.34 H new ATOM 0 HD13 LEU A 61 11.251 2.619 -1.474 1.00 0.34 H new ATOM 0 HD21 LEU A 61 12.644 1.078 0.758 1.00 0.30 H new ATOM 0 HD22 LEU A 61 10.988 0.755 0.190 1.00 0.30 H new ATOM 0 HD23 LEU A 61 12.190 -0.557 0.221 1.00 0.30 H new ATOM 981 N SER A 62 10.653 -2.001 -4.324 1.00 0.41 N ATOM 982 CA SER A 62 9.673 -2.615 -5.209 1.00 0.46 C ATOM 983 C SER A 62 9.750 -4.138 -5.142 1.00 0.46 C ATOM 984 O SER A 62 8.915 -4.839 -5.716 1.00 0.50 O ATOM 985 CB SER A 62 9.865 -2.112 -6.644 1.00 0.53 C ATOM 986 OG SER A 62 11.237 -2.115 -7.013 1.00 1.29 O ATOM 0 H SER A 62 11.393 -1.486 -4.801 1.00 0.41 H new ATOM 0 HA SER A 62 8.677 -2.324 -4.875 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.300 -2.742 -7.331 1.00 0.53 H new ATOM 0 HB3 SER A 62 9.464 -1.102 -6.734 1.00 0.53 H new ATOM 0 HG SER A 62 11.662 -1.290 -6.698 1.00 1.29 H new ATOM 992 N ASP A 63 10.746 -4.648 -4.427 1.00 0.44 N ATOM 993 CA ASP A 63 10.870 -6.088 -4.228 1.00 0.48 C ATOM 994 C ASP A 63 10.065 -6.567 -3.026 1.00 0.49 C ATOM 995 O ASP A 63 9.413 -7.612 -3.085 1.00 0.60 O ATOM 996 CB ASP A 63 12.328 -6.506 -4.048 1.00 0.53 C ATOM 997 CG ASP A 63 13.088 -6.582 -5.354 1.00 0.87 C ATOM 998 OD1 ASP A 63 12.446 -6.749 -6.412 1.00 1.10 O ATOM 999 OD2 ASP A 63 14.330 -6.448 -5.340 1.00 1.32 O ATOM 0 H ASP A 63 11.474 -4.092 -3.979 1.00 0.44 H new ATOM 0 HA ASP A 63 10.471 -6.555 -5.129 1.00 0.48 H new ATOM 0 HB2 ASP A 63 12.824 -5.796 -3.386 1.00 0.53 H new ATOM 0 HB3 ASP A 63 12.363 -7.478 -3.557 1.00 0.53 H new ATOM 1004 N PHE A 64 10.093 -5.810 -1.933 1.00 0.44 N ATOM 1005 CA PHE A 64 9.489 -6.280 -0.693 1.00 0.48 C ATOM 1006 C PHE A 64 7.965 -6.140 -0.742 1.00 0.51 C ATOM 1007 O PHE A 64 7.242 -7.046 -0.322 1.00 0.61 O ATOM 1008 CB PHE A 64 10.065 -5.541 0.539 1.00 0.51 C ATOM 1009 CG PHE A 64 9.444 -4.197 0.779 1.00 0.46 C ATOM 1010 CD1 PHE A 64 8.223 -4.084 1.428 1.00 0.59 C ATOM 1011 CD2 PHE A 64 10.054 -3.058 0.316 1.00 0.50 C ATOM 1012 CE1 PHE A 64 7.629 -2.859 1.604 1.00 0.59 C ATOM 1013 CE2 PHE A 64 9.460 -1.827 0.480 1.00 0.50 C ATOM 1014 CZ PHE A 64 8.247 -1.731 1.124 1.00 0.47 C ATOM 0 H PHE A 64 10.520 -4.885 -1.881 1.00 0.44 H new ATOM 0 HA PHE A 64 9.736 -7.337 -0.590 1.00 0.48 H new ATOM 0 HB2 PHE A 64 9.922 -6.161 1.424 1.00 0.51 H new ATOM 0 HB3 PHE A 64 11.140 -5.417 0.408 1.00 0.51 H new ATOM 0 HD1 PHE A 64 7.733 -4.972 1.800 1.00 0.59 H new ATOM 0 HD2 PHE A 64 11.010 -3.128 -0.182 1.00 0.50 H new ATOM 0 HE1 PHE A 64 6.682 -2.783 2.117 1.00 0.59 H new ATOM 0 HE2 PHE A 64 9.945 -0.938 0.104 1.00 0.50 H new ATOM 0 HZ PHE A 64 7.780 -0.766 1.252 1.00 0.47 H new ATOM 1024 N LEU A 65 7.469 -5.020 -1.286 1.00 0.49 N ATOM 1025 CA LEU A 65 6.045 -4.711 -1.215 1.00 0.58 C ATOM 1026 C LEU A 65 5.303 -5.393 -2.340 1.00 0.64 C ATOM 1027 O LEU A 65 4.118 -5.142 -2.546 1.00 0.81 O ATOM 1028 CB LEU A 65 5.792 -3.210 -1.319 1.00 0.66 C ATOM 1029 CG LEU A 65 5.663 -2.702 -2.753 1.00 0.78 C ATOM 1030 CD1 LEU A 65 4.509 -1.742 -2.874 1.00 1.25 C ATOM 1031 CD2 LEU A 65 6.942 -2.047 -3.208 1.00 1.50 C ATOM 0 H LEU A 65 8.031 -4.323 -1.774 1.00 0.49 H new ATOM 0 HA LEU A 65 5.688 -5.070 -0.250 1.00 0.58 H new ATOM 0 HB2 LEU A 65 4.880 -2.967 -0.774 1.00 0.66 H new ATOM 0 HB3 LEU A 65 6.608 -2.679 -0.828 1.00 0.66 H new ATOM 0 HG LEU A 65 5.470 -3.559 -3.399 1.00 0.78 H new ATOM 0 HD11 LEU A 65 4.434 -1.391 -3.903 1.00 1.25 H new ATOM 0 HD12 LEU A 65 3.585 -2.247 -2.594 1.00 1.25 H new ATOM 0 HD13 LEU A 65 4.672 -0.892 -2.212 1.00 1.25 H new ATOM 0 HD21 LEU A 65 6.825 -1.693 -4.232 1.00 1.50 H new ATOM 0 HD22 LEU A 65 7.170 -1.203 -2.557 1.00 1.50 H new ATOM 0 HD23 LEU A 65 7.757 -2.770 -3.164 1.00 1.50 H new ATOM 1043 N TYR A 66 6.021 -6.247 -3.059 1.00 0.58 N ATOM 1044 CA TYR A 66 5.523 -6.892 -4.270 1.00 0.64 C ATOM 1045 C TYR A 66 4.206 -7.672 -4.040 1.00 0.72 C ATOM 1046 O TYR A 66 3.692 -8.316 -4.953 1.00 0.89 O ATOM 1047 CB TYR A 66 6.615 -7.817 -4.825 1.00 0.73 C ATOM 1048 CG TYR A 66 6.364 -8.330 -6.227 1.00 0.88 C ATOM 1049 CD1 TYR A 66 6.417 -7.477 -7.323 1.00 0.82 C ATOM 1050 CD2 TYR A 66 6.089 -9.671 -6.457 1.00 1.27 C ATOM 1051 CE1 TYR A 66 6.201 -7.948 -8.605 1.00 1.01 C ATOM 1052 CE2 TYR A 66 5.870 -10.149 -7.733 1.00 1.47 C ATOM 1053 CZ TYR A 66 5.928 -9.285 -8.803 1.00 1.29 C ATOM 1054 OH TYR A 66 5.710 -9.759 -10.076 1.00 1.52 O ATOM 0 H TYR A 66 6.975 -6.515 -2.816 1.00 0.58 H new ATOM 0 HA TYR A 66 5.286 -6.112 -4.994 1.00 0.64 H new ATOM 0 HB2 TYR A 66 7.564 -7.281 -4.814 1.00 0.73 H new ATOM 0 HB3 TYR A 66 6.723 -8.670 -4.155 1.00 0.73 H new ATOM 0 HD1 TYR A 66 6.630 -6.429 -7.171 1.00 0.82 H new ATOM 0 HD2 TYR A 66 6.046 -10.354 -5.621 1.00 1.27 H new ATOM 0 HE1 TYR A 66 6.246 -7.272 -9.446 1.00 1.01 H new ATOM 0 HE2 TYR A 66 5.654 -11.195 -7.891 1.00 1.47 H new ATOM 0 HH TYR A 66 4.871 -9.391 -10.423 1.00 1.52 H new ATOM 1064 N GLN A 67 3.705 -7.642 -2.798 1.00 0.89 N ATOM 1065 CA GLN A 67 2.391 -8.173 -2.424 1.00 1.13 C ATOM 1066 C GLN A 67 2.457 -9.659 -2.208 1.00 1.10 C ATOM 1067 O GLN A 67 1.703 -10.220 -1.422 1.00 1.76 O ATOM 1068 CB GLN A 67 1.313 -7.816 -3.446 1.00 1.54 C ATOM 1069 CG GLN A 67 0.912 -6.351 -3.397 1.00 2.13 C ATOM 1070 CD GLN A 67 0.290 -5.959 -2.065 1.00 2.94 C ATOM 1071 OE1 GLN A 67 0.462 -4.837 -1.595 1.00 3.50 O ATOM 1072 NE2 GLN A 67 -0.446 -6.878 -1.452 1.00 3.60 N ATOM 0 H GLN A 67 4.213 -7.239 -2.011 1.00 0.89 H new ATOM 0 HA GLN A 67 2.108 -7.700 -1.484 1.00 1.13 H new ATOM 0 HB2 GLN A 67 1.675 -8.055 -4.446 1.00 1.54 H new ATOM 0 HB3 GLN A 67 0.433 -8.434 -3.269 1.00 1.54 H new ATOM 0 HG2 GLN A 67 1.790 -5.731 -3.580 1.00 2.13 H new ATOM 0 HG3 GLN A 67 0.203 -6.145 -4.199 1.00 2.13 H new ATOM 0 HE21 GLN A 67 -0.566 -7.799 -1.873 1.00 3.60 H new ATOM 0 HE22 GLN A 67 -0.891 -6.663 -0.560 1.00 3.60 H new ATOM 1081 N THR A 68 3.379 -10.277 -2.894 1.00 0.83 N ATOM 1082 CA THR A 68 3.696 -11.658 -2.661 1.00 0.93 C ATOM 1083 C THR A 68 5.195 -11.744 -2.389 1.00 1.09 C ATOM 1084 O THR A 68 5.834 -12.788 -2.524 1.00 1.39 O ATOM 1085 CB THR A 68 3.287 -12.544 -3.862 1.00 1.18 C ATOM 1086 OG1 THR A 68 3.609 -13.917 -3.621 1.00 1.48 O ATOM 1087 CG2 THR A 68 3.969 -12.079 -5.137 1.00 1.29 C ATOM 0 H THR A 68 3.931 -9.837 -3.630 1.00 0.83 H new ATOM 0 HA THR A 68 3.136 -12.033 -1.805 1.00 0.93 H new ATOM 0 HB THR A 68 2.208 -12.451 -3.983 1.00 1.18 H new ATOM 0 HG1 THR A 68 2.849 -14.360 -3.190 1.00 1.48 H new ATOM 0 HG21 THR A 68 3.665 -12.718 -5.966 1.00 1.29 H new ATOM 0 HG22 THR A 68 3.682 -11.049 -5.348 1.00 1.29 H new ATOM 0 HG23 THR A 68 5.050 -12.136 -5.013 1.00 1.29 H new ATOM 1095 N GLY A 69 5.732 -10.603 -1.976 1.00 1.06 N ATOM 1096 CA GLY A 69 7.148 -10.464 -1.730 1.00 1.39 C ATOM 1097 C GLY A 69 7.526 -10.937 -0.347 1.00 1.17 C ATOM 1098 O GLY A 69 8.663 -10.739 0.085 1.00 1.46 O ATOM 0 H GLY A 69 5.193 -9.754 -1.805 1.00 1.06 H new ATOM 0 HA2 GLY A 69 7.704 -11.035 -2.474 1.00 1.39 H new ATOM 0 HA3 GLY A 69 7.437 -9.420 -1.848 1.00 1.39 H new ATOM 1102 N ASP A 70 6.515 -11.469 0.359 1.00 0.84 N ATOM 1103 CA ASP A 70 6.643 -12.020 1.715 1.00 0.83 C ATOM 1104 C ASP A 70 6.326 -10.917 2.711 1.00 0.65 C ATOM 1105 O ASP A 70 6.332 -11.100 3.921 1.00 0.61 O ATOM 1106 CB ASP A 70 8.033 -12.630 1.944 1.00 1.12 C ATOM 1107 CG ASP A 70 8.071 -13.673 3.044 1.00 1.45 C ATOM 1108 OD1 ASP A 70 7.253 -14.625 3.003 1.00 2.19 O ATOM 1109 OD2 ASP A 70 8.954 -13.583 3.924 1.00 1.68 O ATOM 0 H ASP A 70 5.565 -11.529 -0.007 1.00 0.84 H new ATOM 0 HA ASP A 70 5.935 -12.837 1.852 1.00 0.83 H new ATOM 0 HB2 ASP A 70 8.378 -13.083 1.015 1.00 1.12 H new ATOM 0 HB3 ASP A 70 8.734 -11.832 2.189 1.00 1.12 H new ATOM 1114 N ARG A 71 5.964 -9.780 2.142 1.00 0.60 N ATOM 1115 CA ARG A 71 5.613 -8.586 2.864 1.00 0.51 C ATOM 1116 C ARG A 71 4.519 -8.887 3.866 1.00 0.43 C ATOM 1117 O ARG A 71 4.565 -8.452 4.993 1.00 0.49 O ATOM 1118 CB ARG A 71 5.134 -7.537 1.860 1.00 0.59 C ATOM 1119 CG ARG A 71 3.812 -7.900 1.208 1.00 0.83 C ATOM 1120 CD ARG A 71 3.044 -6.679 0.770 1.00 0.87 C ATOM 1121 NE ARG A 71 3.041 -5.645 1.811 1.00 1.77 N ATOM 1122 CZ ARG A 71 2.710 -4.367 1.626 1.00 2.46 C ATOM 1123 NH1 ARG A 71 2.384 -3.915 0.417 1.00 2.69 N ATOM 1124 NH2 ARG A 71 2.689 -3.549 2.671 1.00 3.38 N ATOM 0 H ARG A 71 5.907 -9.667 1.130 1.00 0.60 H new ATOM 0 HA ARG A 71 6.480 -8.211 3.408 1.00 0.51 H new ATOM 0 HB2 ARG A 71 5.032 -6.577 2.367 1.00 0.59 H new ATOM 0 HB3 ARG A 71 5.891 -7.410 1.087 1.00 0.59 H new ATOM 0 HG2 ARG A 71 3.997 -8.541 0.346 1.00 0.83 H new ATOM 0 HG3 ARG A 71 3.208 -8.476 1.909 1.00 0.83 H new ATOM 0 HD2 ARG A 71 3.486 -6.278 -0.142 1.00 0.87 H new ATOM 0 HD3 ARG A 71 2.018 -6.959 0.531 1.00 0.87 H new ATOM 0 HE ARG A 71 3.314 -5.927 2.752 1.00 1.77 H new ATOM 0 HH11 ARG A 71 2.385 -4.549 -0.382 1.00 2.69 H new ATOM 0 HH12 ARG A 71 2.133 -2.935 0.290 1.00 2.69 H new ATOM 0 HH21 ARG A 71 2.924 -3.901 3.599 1.00 3.38 H new ATOM 0 HH22 ARG A 71 2.438 -2.568 2.546 1.00 3.38 H new ATOM 1138 N ILE A 72 3.582 -9.705 3.428 1.00 0.44 N ATOM 1139 CA ILE A 72 2.397 -10.043 4.192 1.00 0.44 C ATOM 1140 C ILE A 72 2.764 -10.820 5.436 1.00 0.54 C ATOM 1141 O ILE A 72 2.046 -10.799 6.434 1.00 0.64 O ATOM 1142 CB ILE A 72 1.426 -10.911 3.360 1.00 0.45 C ATOM 1143 CG1 ILE A 72 2.188 -11.983 2.578 1.00 0.62 C ATOM 1144 CG2 ILE A 72 0.584 -10.076 2.422 1.00 0.47 C ATOM 1145 CD1 ILE A 72 2.676 -11.568 1.200 1.00 0.71 C ATOM 0 H ILE A 72 3.623 -10.161 2.516 1.00 0.44 H new ATOM 0 HA ILE A 72 1.915 -9.103 4.462 1.00 0.44 H new ATOM 0 HB ILE A 72 0.752 -11.401 4.063 1.00 0.45 H new ATOM 0 HG12 ILE A 72 3.048 -12.296 3.169 1.00 0.62 H new ATOM 0 HG13 ILE A 72 1.543 -12.855 2.468 1.00 0.62 H new ATOM 0 HG21 ILE A 72 -0.084 -10.726 1.857 1.00 0.47 H new ATOM 0 HG22 ILE A 72 -0.005 -9.363 2.999 1.00 0.47 H new ATOM 0 HG23 ILE A 72 1.234 -9.536 1.733 1.00 0.47 H new ATOM 0 HD11 ILE A 72 3.202 -12.401 0.734 1.00 0.71 H new ATOM 0 HD12 ILE A 72 1.824 -11.286 0.582 1.00 0.71 H new ATOM 0 HD13 ILE A 72 3.353 -10.719 1.294 1.00 0.71 H new ATOM 1157 N THR A 73 3.892 -11.501 5.368 1.00 0.59 N ATOM 1158 CA THR A 73 4.292 -12.373 6.435 1.00 0.72 C ATOM 1159 C THR A 73 4.950 -11.567 7.547 1.00 0.74 C ATOM 1160 O THR A 73 4.854 -11.915 8.725 1.00 0.88 O ATOM 1161 CB THR A 73 5.257 -13.478 5.936 1.00 0.81 C ATOM 1162 OG1 THR A 73 5.105 -14.659 6.725 1.00 0.97 O ATOM 1163 CG2 THR A 73 6.711 -13.020 6.002 1.00 0.80 C ATOM 0 H THR A 73 4.541 -11.462 4.582 1.00 0.59 H new ATOM 0 HA THR A 73 3.398 -12.862 6.822 1.00 0.72 H new ATOM 0 HB THR A 73 5.004 -13.689 4.897 1.00 0.81 H new ATOM 0 HG1 THR A 73 5.718 -15.351 6.400 1.00 0.97 H new ATOM 0 HG21 THR A 73 7.361 -13.819 5.645 1.00 0.80 H new ATOM 0 HG22 THR A 73 6.843 -12.138 5.376 1.00 0.80 H new ATOM 0 HG23 THR A 73 6.969 -12.776 7.032 1.00 0.80 H new ATOM 1171 N TRP A 74 5.614 -10.477 7.174 1.00 0.64 N ATOM 1172 CA TRP A 74 6.318 -9.671 8.163 1.00 0.66 C ATOM 1173 C TRP A 74 5.651 -8.306 8.348 1.00 0.63 C ATOM 1174 O TRP A 74 6.100 -7.484 9.151 1.00 0.75 O ATOM 1175 CB TRP A 74 7.802 -9.526 7.780 1.00 0.66 C ATOM 1176 CG TRP A 74 8.040 -9.060 6.370 1.00 0.59 C ATOM 1177 CD1 TRP A 74 8.479 -9.804 5.309 1.00 0.66 C ATOM 1178 CD2 TRP A 74 7.853 -7.741 5.871 1.00 0.53 C ATOM 1179 NE1 TRP A 74 8.569 -9.021 4.189 1.00 0.65 N ATOM 1180 CE2 TRP A 74 8.191 -7.750 4.508 1.00 0.58 C ATOM 1181 CE3 TRP A 74 7.426 -6.555 6.447 1.00 0.52 C ATOM 1182 CZ2 TRP A 74 8.114 -6.612 3.716 1.00 0.62 C ATOM 1183 CZ3 TRP A 74 7.350 -5.435 5.668 1.00 0.56 C ATOM 1184 CH2 TRP A 74 7.691 -5.460 4.314 1.00 0.61 C ATOM 0 H TRP A 74 5.679 -10.137 6.214 1.00 0.64 H new ATOM 0 HA TRP A 74 6.264 -10.186 9.122 1.00 0.66 H new ATOM 0 HB2 TRP A 74 8.274 -8.823 8.466 1.00 0.66 H new ATOM 0 HB3 TRP A 74 8.296 -10.488 7.920 1.00 0.66 H new ATOM 0 HD1 TRP A 74 8.720 -10.856 5.349 1.00 0.66 H new ATOM 0 HE1 TRP A 74 8.870 -9.337 3.267 1.00 0.65 H new ATOM 0 HE3 TRP A 74 7.158 -6.517 7.493 1.00 0.52 H new ATOM 0 HZ2 TRP A 74 8.378 -6.637 2.669 1.00 0.62 H new ATOM 0 HZ3 TRP A 74 7.018 -4.507 6.110 1.00 0.56 H new ATOM 0 HH2 TRP A 74 7.619 -4.554 3.731 1.00 0.61 H new ATOM 1195 N ASP A 75 4.566 -8.090 7.616 1.00 0.55 N ATOM 1196 CA ASP A 75 3.853 -6.808 7.601 1.00 0.58 C ATOM 1197 C ASP A 75 3.170 -6.526 8.936 1.00 0.58 C ATOM 1198 O ASP A 75 3.156 -7.363 9.843 1.00 0.73 O ATOM 1199 CB ASP A 75 2.797 -6.822 6.493 1.00 0.83 C ATOM 1200 CG ASP A 75 2.394 -5.441 6.007 1.00 1.44 C ATOM 1201 OD1 ASP A 75 1.532 -4.805 6.661 1.00 1.44 O ATOM 1202 OD2 ASP A 75 2.965 -4.979 4.994 1.00 2.19 O ATOM 0 H ASP A 75 4.150 -8.798 7.012 1.00 0.55 H new ATOM 0 HA ASP A 75 4.586 -6.022 7.419 1.00 0.58 H new ATOM 0 HB2 ASP A 75 3.179 -7.396 5.649 1.00 0.83 H new ATOM 0 HB3 ASP A 75 1.910 -7.341 6.857 1.00 0.83 H new ATOM 1207 N LYS A 76 2.580 -5.348 9.037 1.00 0.58 N ATOM 1208 CA LYS A 76 1.896 -4.924 10.252 1.00 0.65 C ATOM 1209 C LYS A 76 0.413 -5.209 10.133 1.00 0.62 C ATOM 1210 O LYS A 76 -0.227 -5.665 11.080 1.00 0.75 O ATOM 1211 CB LYS A 76 2.081 -3.423 10.488 1.00 0.88 C ATOM 1212 CG LYS A 76 3.511 -2.951 10.351 1.00 0.78 C ATOM 1213 CD LYS A 76 4.405 -3.522 11.433 1.00 1.63 C ATOM 1214 CE LYS A 76 4.146 -2.880 12.776 1.00 1.97 C ATOM 1215 NZ LYS A 76 5.105 -3.351 13.811 1.00 3.19 N ATOM 0 H LYS A 76 2.560 -4.659 8.285 1.00 0.58 H new ATOM 0 HA LYS A 76 2.325 -5.477 11.088 1.00 0.65 H new ATOM 0 HB2 LYS A 76 1.459 -2.875 9.780 1.00 0.88 H new ATOM 0 HB3 LYS A 76 1.722 -3.176 11.487 1.00 0.88 H new ATOM 0 HG2 LYS A 76 3.896 -3.240 9.373 1.00 0.78 H new ATOM 0 HG3 LYS A 76 3.539 -1.862 10.395 1.00 0.78 H new ATOM 0 HD2 LYS A 76 4.243 -4.597 11.508 1.00 1.63 H new ATOM 0 HD3 LYS A 76 5.449 -3.375 11.156 1.00 1.63 H new ATOM 0 HE2 LYS A 76 4.218 -1.797 12.680 1.00 1.97 H new ATOM 0 HE3 LYS A 76 3.128 -3.104 13.095 1.00 1.97 H new ATOM 0 HZ1 LYS A 76 4.893 -2.887 14.717 1.00 3.19 H new ATOM 0 HZ2 LYS A 76 5.018 -4.382 13.921 1.00 3.19 H new ATOM 0 HZ3 LYS A 76 6.075 -3.114 13.519 1.00 3.19 H new ATOM 1229 N SER A 77 -0.120 -4.953 8.955 1.00 0.61 N ATOM 1230 CA SER A 77 -1.554 -5.002 8.749 1.00 0.72 C ATOM 1231 C SER A 77 -1.929 -6.041 7.696 1.00 0.61 C ATOM 1232 O SER A 77 -3.049 -6.039 7.183 1.00 0.65 O ATOM 1233 CB SER A 77 -2.061 -3.614 8.342 1.00 0.91 C ATOM 1234 OG SER A 77 -3.477 -3.577 8.262 1.00 1.58 O ATOM 0 H SER A 77 0.419 -4.709 8.124 1.00 0.61 H new ATOM 0 HA SER A 77 -2.029 -5.299 9.684 1.00 0.72 H new ATOM 0 HB2 SER A 77 -1.718 -2.874 9.065 1.00 0.91 H new ATOM 0 HB3 SER A 77 -1.634 -3.339 7.377 1.00 0.91 H new ATOM 0 HG SER A 77 -3.809 -4.440 7.938 1.00 1.58 H new ATOM 1240 N LEU A 78 -1.011 -6.940 7.380 1.00 0.54 N ATOM 1241 CA LEU A 78 -1.292 -7.966 6.388 1.00 0.50 C ATOM 1242 C LEU A 78 -1.390 -9.348 7.013 1.00 0.53 C ATOM 1243 O LEU A 78 -1.238 -9.509 8.224 1.00 0.71 O ATOM 1244 CB LEU A 78 -0.232 -7.984 5.299 1.00 0.45 C ATOM 1245 CG LEU A 78 -0.190 -6.748 4.409 1.00 0.45 C ATOM 1246 CD1 LEU A 78 0.830 -6.937 3.298 1.00 0.49 C ATOM 1247 CD2 LEU A 78 -1.570 -6.465 3.839 1.00 0.51 C ATOM 0 H LEU A 78 -0.078 -6.981 7.789 1.00 0.54 H new ATOM 0 HA LEU A 78 -2.257 -7.714 5.948 1.00 0.50 H new ATOM 0 HB2 LEU A 78 0.744 -8.107 5.768 1.00 0.45 H new ATOM 0 HB3 LEU A 78 -0.396 -8.859 4.670 1.00 0.45 H new ATOM 0 HG LEU A 78 0.113 -5.889 5.007 1.00 0.45 H new ATOM 0 HD11 LEU A 78 0.851 -6.047 2.668 1.00 0.49 H new ATOM 0 HD12 LEU A 78 1.816 -7.097 3.733 1.00 0.49 H new ATOM 0 HD13 LEU A 78 0.555 -7.802 2.695 1.00 0.49 H new ATOM 0 HD21 LEU A 78 -1.527 -5.580 3.205 1.00 0.51 H new ATOM 0 HD22 LEU A 78 -1.902 -7.319 3.248 1.00 0.51 H new ATOM 0 HD23 LEU A 78 -2.272 -6.293 4.655 1.00 0.51 H new ATOM 1259 N GLN A 79 -1.632 -10.345 6.165 1.00 0.46 N ATOM 1260 CA GLN A 79 -1.846 -11.714 6.609 1.00 0.50 C ATOM 1261 C GLN A 79 -1.493 -12.712 5.511 1.00 0.48 C ATOM 1262 O GLN A 79 -0.588 -13.528 5.666 1.00 0.55 O ATOM 1263 CB GLN A 79 -3.309 -11.934 7.019 1.00 0.56 C ATOM 1264 CG GLN A 79 -3.630 -11.578 8.450 1.00 0.55 C ATOM 1265 CD GLN A 79 -2.771 -12.322 9.455 1.00 1.03 C ATOM 1266 OE1 GLN A 79 -3.116 -13.416 9.901 1.00 1.66 O ATOM 1267 NE2 GLN A 79 -1.650 -11.727 9.823 1.00 1.73 N ATOM 0 H GLN A 79 -1.685 -10.224 5.154 1.00 0.46 H new ATOM 0 HA GLN A 79 -1.195 -11.876 7.468 1.00 0.50 H new ATOM 0 HB2 GLN A 79 -3.948 -11.344 6.361 1.00 0.56 H new ATOM 0 HB3 GLN A 79 -3.563 -12.981 6.855 1.00 0.56 H new ATOM 0 HG2 GLN A 79 -3.496 -10.505 8.590 1.00 0.55 H new ATOM 0 HG3 GLN A 79 -4.680 -11.797 8.646 1.00 0.55 H new ATOM 0 HE21 GLN A 79 -1.401 -10.820 9.429 1.00 1.73 H new ATOM 0 HE22 GLN A 79 -1.034 -12.175 10.501 1.00 1.73 H new ATOM 1276 N VAL A 80 -2.201 -12.631 4.390 1.00 0.41 N ATOM 1277 CA VAL A 80 -2.167 -13.695 3.391 1.00 0.43 C ATOM 1278 C VAL A 80 -2.208 -13.114 1.988 1.00 0.39 C ATOM 1279 O VAL A 80 -3.080 -12.309 1.682 1.00 0.45 O ATOM 1280 CB VAL A 80 -3.370 -14.661 3.548 1.00 0.48 C ATOM 1281 CG1 VAL A 80 -3.243 -15.845 2.603 1.00 0.78 C ATOM 1282 CG2 VAL A 80 -3.519 -15.143 4.984 1.00 0.74 C ATOM 0 H VAL A 80 -2.803 -11.844 4.150 1.00 0.41 H new ATOM 0 HA VAL A 80 -1.238 -14.244 3.546 1.00 0.43 H new ATOM 0 HB VAL A 80 -4.269 -14.103 3.287 1.00 0.48 H new ATOM 0 HG11 VAL A 80 -4.099 -16.507 2.733 1.00 0.78 H new ATOM 0 HG12 VAL A 80 -3.213 -15.487 1.574 1.00 0.78 H new ATOM 0 HG13 VAL A 80 -2.325 -16.390 2.824 1.00 0.78 H new ATOM 0 HG21 VAL A 80 -4.372 -15.818 5.055 1.00 0.74 H new ATOM 0 HG22 VAL A 80 -2.614 -15.670 5.287 1.00 0.74 H new ATOM 0 HG23 VAL A 80 -3.678 -14.287 5.640 1.00 0.74 H new ATOM 1292 N TYR A 81 -1.266 -13.512 1.147 1.00 0.42 N ATOM 1293 CA TYR A 81 -1.253 -13.077 -0.240 1.00 0.46 C ATOM 1294 C TYR A 81 -1.930 -14.108 -1.132 1.00 0.51 C ATOM 1295 O TYR A 81 -1.843 -15.313 -0.878 1.00 0.78 O ATOM 1296 CB TYR A 81 0.187 -12.872 -0.700 1.00 0.74 C ATOM 1297 CG TYR A 81 0.988 -14.161 -0.814 1.00 1.91 C ATOM 1298 CD1 TYR A 81 1.619 -14.719 0.292 1.00 3.05 C ATOM 1299 CD2 TYR A 81 1.105 -14.824 -2.030 1.00 2.02 C ATOM 1300 CE1 TYR A 81 2.341 -15.893 0.190 1.00 4.21 C ATOM 1301 CE2 TYR A 81 1.825 -15.998 -2.136 1.00 3.15 C ATOM 1302 CZ TYR A 81 2.439 -16.528 -1.026 1.00 4.24 C ATOM 1303 OH TYR A 81 3.154 -17.698 -1.137 1.00 5.40 O ATOM 0 H TYR A 81 -0.500 -14.136 1.401 1.00 0.42 H new ATOM 0 HA TYR A 81 -1.800 -12.137 -0.314 1.00 0.46 H new ATOM 0 HB2 TYR A 81 0.181 -12.373 -1.669 1.00 0.74 H new ATOM 0 HB3 TYR A 81 0.690 -12.204 -0.001 1.00 0.74 H new ATOM 0 HD1 TYR A 81 1.543 -14.225 1.250 1.00 3.05 H new ATOM 0 HD2 TYR A 81 0.625 -14.414 -2.907 1.00 2.02 H new ATOM 0 HE1 TYR A 81 2.826 -16.310 1.061 1.00 4.21 H new ATOM 0 HE2 TYR A 81 1.905 -16.499 -3.089 1.00 3.15 H new ATOM 0 HH TYR A 81 3.121 -18.015 -2.064 1.00 5.40 H new ATOM 1313 N ASN A 82 -2.587 -13.630 -2.177 1.00 0.42 N ATOM 1314 CA ASN A 82 -3.221 -14.493 -3.166 1.00 0.46 C ATOM 1315 C ASN A 82 -3.300 -13.767 -4.498 1.00 0.44 C ATOM 1316 O ASN A 82 -4.086 -12.839 -4.657 1.00 0.45 O ATOM 1317 CB ASN A 82 -4.638 -14.907 -2.748 1.00 0.50 C ATOM 1318 CG ASN A 82 -4.680 -15.860 -1.571 1.00 0.93 C ATOM 1319 OD1 ASN A 82 -4.554 -17.071 -1.733 1.00 1.69 O ATOM 1320 ND2 ASN A 82 -4.888 -15.319 -0.383 1.00 1.40 N ATOM 0 H ASN A 82 -2.697 -12.634 -2.365 1.00 0.42 H new ATOM 0 HA ASN A 82 -2.613 -15.394 -3.249 1.00 0.46 H new ATOM 0 HB2 ASN A 82 -5.208 -14.012 -2.498 1.00 0.50 H new ATOM 0 HB3 ASN A 82 -5.135 -15.374 -3.598 1.00 0.50 H new ATOM 0 HD21 ASN A 82 -4.949 -15.913 0.444 1.00 1.40 H new ATOM 0 HD22 ASN A 82 -4.987 -14.308 -0.293 1.00 1.40 H new ATOM 1327 N MET A 83 -2.479 -14.173 -5.446 1.00 0.47 N ATOM 1328 CA MET A 83 -2.511 -13.580 -6.773 1.00 0.48 C ATOM 1329 C MET A 83 -3.720 -14.119 -7.537 1.00 0.47 C ATOM 1330 O MET A 83 -3.666 -15.197 -8.127 1.00 0.57 O ATOM 1331 CB MET A 83 -1.214 -13.887 -7.512 1.00 0.58 C ATOM 1332 CG MET A 83 -0.392 -12.652 -7.849 1.00 0.63 C ATOM 1333 SD MET A 83 0.084 -11.706 -6.388 1.00 1.66 S ATOM 1334 CE MET A 83 1.122 -10.445 -7.127 1.00 2.05 C ATOM 0 H MET A 83 -1.783 -14.909 -5.325 1.00 0.47 H new ATOM 0 HA MET A 83 -2.603 -12.497 -6.692 1.00 0.48 H new ATOM 0 HB2 MET A 83 -0.610 -14.559 -6.902 1.00 0.58 H new ATOM 0 HB3 MET A 83 -1.449 -14.418 -8.434 1.00 0.58 H new ATOM 0 HG2 MET A 83 0.506 -12.955 -8.388 1.00 0.63 H new ATOM 0 HG3 MET A 83 -0.965 -12.012 -8.519 1.00 0.63 H new ATOM 0 HE1 MET A 83 1.662 -9.913 -6.344 1.00 2.05 H new ATOM 0 HE2 MET A 83 1.835 -10.913 -7.806 1.00 2.05 H new ATOM 0 HE3 MET A 83 0.501 -9.741 -7.681 1.00 2.05 H new ATOM 1344 N VAL A 84 -4.808 -13.354 -7.522 1.00 0.38 N ATOM 1345 CA VAL A 84 -6.104 -13.837 -8.010 1.00 0.39 C ATOM 1346 C VAL A 84 -6.110 -13.927 -9.524 1.00 0.42 C ATOM 1347 O VAL A 84 -6.260 -15.004 -10.101 1.00 0.64 O ATOM 1348 CB VAL A 84 -7.275 -12.922 -7.584 1.00 0.38 C ATOM 1349 CG1 VAL A 84 -8.455 -13.738 -7.085 1.00 0.55 C ATOM 1350 CG2 VAL A 84 -6.843 -11.902 -6.546 1.00 0.42 C ATOM 0 H VAL A 84 -4.822 -12.394 -7.177 1.00 0.38 H new ATOM 0 HA VAL A 84 -6.244 -14.822 -7.564 1.00 0.39 H new ATOM 0 HB VAL A 84 -7.594 -12.372 -8.470 1.00 0.38 H new ATOM 0 HG11 VAL A 84 -9.263 -13.068 -6.793 1.00 0.55 H new ATOM 0 HG12 VAL A 84 -8.802 -14.400 -7.879 1.00 0.55 H new ATOM 0 HG13 VAL A 84 -8.148 -14.333 -6.225 1.00 0.55 H new ATOM 0 HG21 VAL A 84 -7.694 -11.278 -6.273 1.00 0.42 H new ATOM 0 HG22 VAL A 84 -6.472 -12.419 -5.661 1.00 0.42 H new ATOM 0 HG23 VAL A 84 -6.052 -11.276 -6.958 1.00 0.42 H new ATOM 1360 N HIS A 85 -5.948 -12.781 -10.157 1.00 0.30 N ATOM 1361 CA HIS A 85 -5.937 -12.701 -11.604 1.00 0.31 C ATOM 1362 C HIS A 85 -4.769 -11.832 -12.038 1.00 0.32 C ATOM 1363 O HIS A 85 -4.731 -10.641 -11.739 1.00 0.38 O ATOM 1364 CB HIS A 85 -7.262 -12.120 -12.111 1.00 0.37 C ATOM 1365 CG HIS A 85 -7.483 -12.283 -13.585 1.00 0.80 C ATOM 1366 ND1 HIS A 85 -8.250 -13.294 -14.117 1.00 1.36 N ATOM 1367 CD2 HIS A 85 -7.046 -11.553 -14.637 1.00 1.71 C ATOM 1368 CE1 HIS A 85 -8.276 -13.179 -15.430 1.00 1.75 C ATOM 1369 NE2 HIS A 85 -7.553 -12.130 -15.774 1.00 1.96 N ATOM 0 H HIS A 85 -5.821 -11.885 -9.686 1.00 0.30 H new ATOM 0 HA HIS A 85 -5.822 -13.698 -12.029 1.00 0.31 H new ATOM 0 HB2 HIS A 85 -8.083 -12.599 -11.577 1.00 0.37 H new ATOM 0 HB3 HIS A 85 -7.298 -11.059 -11.865 1.00 0.37 H new ATOM 0 HD1 HIS A 85 -8.724 -14.019 -13.579 1.00 1.36 H new ATOM 0 HD2 HIS A 85 -6.415 -10.678 -14.590 1.00 1.71 H new ATOM 0 HE1 HIS A 85 -8.801 -13.833 -16.110 1.00 1.75 H new ATOM 1378 N ARG A 86 -3.808 -12.433 -12.707 1.00 0.34 N ATOM 1379 CA ARG A 86 -2.632 -11.709 -13.158 1.00 0.36 C ATOM 1380 C ARG A 86 -2.816 -11.328 -14.620 1.00 0.38 C ATOM 1381 O ARG A 86 -2.700 -12.166 -15.515 1.00 0.52 O ATOM 1382 CB ARG A 86 -1.380 -12.564 -12.963 1.00 0.40 C ATOM 1383 CG ARG A 86 -1.406 -13.407 -11.694 1.00 0.45 C ATOM 1384 CD ARG A 86 -0.068 -14.089 -11.460 1.00 0.69 C ATOM 1385 NE ARG A 86 -0.146 -15.120 -10.425 1.00 1.15 N ATOM 1386 CZ ARG A 86 0.897 -15.542 -9.708 1.00 1.68 C ATOM 1387 NH1 ARG A 86 2.099 -15.006 -9.892 1.00 1.98 N ATOM 1388 NH2 ARG A 86 0.737 -16.499 -8.805 1.00 2.44 N ATOM 0 H ARG A 86 -3.815 -13.423 -12.952 1.00 0.34 H new ATOM 0 HA ARG A 86 -2.507 -10.800 -12.570 1.00 0.36 H new ATOM 0 HB2 ARG A 86 -1.263 -13.222 -13.824 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.506 -11.913 -12.938 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.650 -12.775 -10.840 1.00 0.45 H new ATOM 0 HG3 ARG A 86 -2.192 -14.158 -11.769 1.00 0.45 H new ATOM 0 HD2 ARG A 86 0.277 -14.537 -12.392 1.00 0.69 H new ATOM 0 HD3 ARG A 86 0.673 -13.343 -11.172 1.00 0.69 H new ATOM 0 HE ARG A 86 -1.055 -15.543 -10.240 1.00 1.15 H new ATOM 0 HH11 ARG A 86 2.228 -14.268 -10.584 1.00 1.98 H new ATOM 0 HH12 ARG A 86 2.893 -15.333 -9.341 1.00 1.98 H new ATOM 0 HH21 ARG A 86 -0.184 -16.913 -8.658 1.00 2.44 H new ATOM 0 HH22 ARG A 86 1.534 -16.822 -8.257 1.00 2.44 H new ATOM 1402 N ILE A 87 -3.122 -10.061 -14.843 1.00 0.35 N ATOM 1403 CA ILE A 87 -3.507 -9.576 -16.163 1.00 0.36 C ATOM 1404 C ILE A 87 -2.308 -9.531 -17.098 1.00 0.39 C ATOM 1405 O ILE A 87 -2.371 -9.989 -18.238 1.00 0.47 O ATOM 1406 CB ILE A 87 -4.134 -8.157 -16.120 1.00 0.38 C ATOM 1407 CG1 ILE A 87 -4.243 -7.608 -14.691 1.00 0.32 C ATOM 1408 CG2 ILE A 87 -5.500 -8.167 -16.781 1.00 0.44 C ATOM 1409 CD1 ILE A 87 -5.288 -8.273 -13.827 1.00 0.27 C ATOM 0 H ILE A 87 -3.112 -9.341 -14.120 1.00 0.35 H new ATOM 0 HA ILE A 87 -4.254 -10.280 -16.530 1.00 0.36 H new ATOM 0 HB ILE A 87 -3.467 -7.494 -16.671 1.00 0.38 H new ATOM 0 HG12 ILE A 87 -3.273 -7.710 -14.204 1.00 0.32 H new ATOM 0 HG13 ILE A 87 -4.463 -6.542 -14.744 1.00 0.32 H new ATOM 0 HG21 ILE A 87 -5.929 -7.166 -16.744 1.00 0.44 H new ATOM 0 HG22 ILE A 87 -5.399 -8.481 -17.820 1.00 0.44 H new ATOM 0 HG23 ILE A 87 -6.154 -8.862 -16.254 1.00 0.44 H new ATOM 0 HD11 ILE A 87 -5.287 -7.815 -12.838 1.00 0.27 H new ATOM 0 HD12 ILE A 87 -6.270 -8.149 -14.283 1.00 0.27 H new ATOM 0 HD13 ILE A 87 -5.062 -9.335 -13.735 1.00 0.27 H new ATOM 1421 N ASP A 88 -1.212 -8.993 -16.598 1.00 0.42 N ATOM 1422 CA ASP A 88 -0.034 -8.767 -17.414 1.00 0.56 C ATOM 1423 C ASP A 88 1.206 -9.065 -16.582 1.00 0.67 C ATOM 1424 O ASP A 88 1.106 -9.690 -15.526 1.00 1.18 O ATOM 1425 CB ASP A 88 -0.026 -7.314 -17.909 1.00 0.65 C ATOM 1426 CG ASP A 88 0.837 -7.090 -19.138 1.00 1.16 C ATOM 1427 OD1 ASP A 88 2.071 -6.993 -18.990 1.00 1.86 O ATOM 1428 OD2 ASP A 88 0.290 -7.053 -20.257 1.00 1.35 O ATOM 0 H ASP A 88 -1.113 -8.703 -15.625 1.00 0.42 H new ATOM 0 HA ASP A 88 -0.042 -9.425 -18.283 1.00 0.56 H new ATOM 0 HB2 ASP A 88 -1.049 -7.011 -18.134 1.00 0.65 H new ATOM 0 HB3 ASP A 88 0.328 -6.668 -17.105 1.00 0.65 H new ATOM 1433 N SER A 89 2.359 -8.612 -17.029 1.00 0.65 N ATOM 1434 CA SER A 89 3.583 -8.806 -16.280 1.00 0.70 C ATOM 1435 C SER A 89 3.699 -7.762 -15.178 1.00 0.53 C ATOM 1436 O SER A 89 4.498 -7.906 -14.255 1.00 0.59 O ATOM 1437 CB SER A 89 4.790 -8.716 -17.211 1.00 0.94 C ATOM 1438 OG SER A 89 4.657 -9.606 -18.307 1.00 1.44 O ATOM 0 H SER A 89 2.474 -8.107 -17.908 1.00 0.65 H new ATOM 0 HA SER A 89 3.559 -9.796 -15.826 1.00 0.70 H new ATOM 0 HB2 SER A 89 4.895 -7.695 -17.578 1.00 0.94 H new ATOM 0 HB3 SER A 89 5.699 -8.950 -16.657 1.00 0.94 H new ATOM 0 HG SER A 89 5.442 -9.528 -18.889 1.00 1.44 H new ATOM 1444 N ASP A 90 2.886 -6.713 -15.266 1.00 0.47 N ATOM 1445 CA ASP A 90 2.977 -5.615 -14.320 1.00 0.48 C ATOM 1446 C ASP A 90 1.603 -5.268 -13.794 1.00 0.39 C ATOM 1447 O ASP A 90 1.410 -4.211 -13.204 1.00 0.41 O ATOM 1448 CB ASP A 90 3.583 -4.368 -14.976 1.00 0.73 C ATOM 1449 CG ASP A 90 4.929 -4.619 -15.620 1.00 1.21 C ATOM 1450 OD1 ASP A 90 5.918 -4.840 -14.890 1.00 1.70 O ATOM 1451 OD2 ASP A 90 5.001 -4.592 -16.868 1.00 1.87 O ATOM 0 H ASP A 90 2.164 -6.604 -15.978 1.00 0.47 H new ATOM 0 HA ASP A 90 3.622 -5.936 -13.502 1.00 0.48 H new ATOM 0 HB2 ASP A 90 2.892 -3.992 -15.731 1.00 0.73 H new ATOM 0 HB3 ASP A 90 3.689 -3.586 -14.224 1.00 0.73 H new ATOM 1456 N THR A 91 0.639 -6.150 -14.006 1.00 0.35 N ATOM 1457 CA THR A 91 -0.716 -5.863 -13.637 1.00 0.32 C ATOM 1458 C THR A 91 -1.288 -7.065 -12.923 1.00 0.28 C ATOM 1459 O THR A 91 -1.475 -8.125 -13.522 1.00 0.30 O ATOM 1460 CB THR A 91 -1.556 -5.535 -14.879 1.00 0.36 C ATOM 1461 OG1 THR A 91 -0.722 -4.939 -15.877 1.00 0.46 O ATOM 1462 CG2 THR A 91 -2.680 -4.578 -14.531 1.00 0.35 C ATOM 0 H THR A 91 0.781 -7.066 -14.432 1.00 0.35 H new ATOM 0 HA THR A 91 -0.737 -4.995 -12.978 1.00 0.32 H new ATOM 0 HB THR A 91 -1.988 -6.461 -15.258 1.00 0.36 H new ATOM 0 HG1 THR A 91 -0.222 -4.194 -15.483 1.00 0.46 H new ATOM 0 HG21 THR A 91 -3.262 -4.360 -15.426 1.00 0.35 H new ATOM 0 HG22 THR A 91 -3.326 -5.033 -13.780 1.00 0.35 H new ATOM 0 HG23 THR A 91 -2.261 -3.653 -14.136 1.00 0.35 H new ATOM 1470 N PHE A 92 -1.524 -6.913 -11.642 1.00 0.25 N ATOM 1471 CA PHE A 92 -1.947 -8.022 -10.827 1.00 0.25 C ATOM 1472 C PHE A 92 -3.164 -7.645 -10.016 1.00 0.22 C ATOM 1473 O PHE A 92 -3.556 -6.483 -9.964 1.00 0.21 O ATOM 1474 CB PHE A 92 -0.830 -8.442 -9.871 1.00 0.30 C ATOM 1475 CG PHE A 92 0.512 -8.582 -10.526 1.00 0.32 C ATOM 1476 CD1 PHE A 92 0.906 -9.798 -11.065 1.00 0.39 C ATOM 1477 CD2 PHE A 92 1.380 -7.507 -10.600 1.00 0.33 C ATOM 1478 CE1 PHE A 92 2.139 -9.939 -11.663 1.00 0.43 C ATOM 1479 CE2 PHE A 92 2.615 -7.641 -11.197 1.00 0.38 C ATOM 1480 CZ PHE A 92 2.992 -8.826 -11.746 1.00 0.41 C ATOM 0 H PHE A 92 -1.429 -6.029 -11.142 1.00 0.25 H new ATOM 0 HA PHE A 92 -2.190 -8.852 -11.491 1.00 0.25 H new ATOM 0 HB2 PHE A 92 -0.757 -7.708 -9.069 1.00 0.30 H new ATOM 0 HB3 PHE A 92 -1.099 -9.392 -9.409 1.00 0.30 H new ATOM 0 HD1 PHE A 92 0.238 -10.645 -11.015 1.00 0.39 H new ATOM 0 HD2 PHE A 92 1.087 -6.554 -10.186 1.00 0.33 H new ATOM 0 HE1 PHE A 92 2.446 -10.894 -12.063 1.00 0.43 H new ATOM 0 HE2 PHE A 92 3.289 -6.798 -11.229 1.00 0.38 H new ATOM 0 HZ PHE A 92 3.946 -8.912 -12.245 1.00 0.41 H new ATOM 1490 N ILE A 93 -3.764 -8.638 -9.405 1.00 0.23 N ATOM 1491 CA ILE A 93 -4.805 -8.423 -8.427 1.00 0.23 C ATOM 1492 C ILE A 93 -4.520 -9.332 -7.256 1.00 0.28 C ATOM 1493 O ILE A 93 -4.353 -10.540 -7.435 1.00 0.33 O ATOM 1494 CB ILE A 93 -6.205 -8.725 -8.994 1.00 0.23 C ATOM 1495 CG1 ILE A 93 -6.376 -8.037 -10.340 1.00 0.24 C ATOM 1496 CG2 ILE A 93 -7.288 -8.271 -8.026 1.00 0.26 C ATOM 1497 CD1 ILE A 93 -7.692 -8.317 -11.005 1.00 0.41 C ATOM 0 H ILE A 93 -3.544 -9.620 -9.572 1.00 0.23 H new ATOM 0 HA ILE A 93 -4.806 -7.375 -8.129 1.00 0.23 H new ATOM 0 HB ILE A 93 -6.302 -9.802 -9.130 1.00 0.23 H new ATOM 0 HG12 ILE A 93 -6.272 -6.961 -10.202 1.00 0.24 H new ATOM 0 HG13 ILE A 93 -5.571 -8.353 -11.003 1.00 0.24 H new ATOM 0 HG21 ILE A 93 -8.269 -8.494 -8.447 1.00 0.26 H new ATOM 0 HG22 ILE A 93 -7.172 -8.796 -7.078 1.00 0.26 H new ATOM 0 HG23 ILE A 93 -7.200 -7.197 -7.859 1.00 0.26 H new ATOM 0 HD11 ILE A 93 -7.737 -7.791 -11.959 1.00 0.41 H new ATOM 0 HD12 ILE A 93 -7.792 -9.389 -11.177 1.00 0.41 H new ATOM 0 HD13 ILE A 93 -8.504 -7.975 -10.363 1.00 0.41 H new ATOM 1509 N CYS A 94 -4.407 -8.764 -6.078 1.00 0.36 N ATOM 1510 CA CYS A 94 -4.050 -9.544 -4.916 1.00 0.48 C ATOM 1511 C CYS A 94 -5.219 -9.674 -3.959 1.00 0.39 C ATOM 1512 O CYS A 94 -5.820 -8.671 -3.569 1.00 0.47 O ATOM 1513 CB CYS A 94 -2.855 -8.912 -4.210 1.00 0.74 C ATOM 1514 SG CYS A 94 -1.399 -8.735 -5.265 1.00 2.01 S ATOM 0 H CYS A 94 -4.556 -7.771 -5.899 1.00 0.36 H new ATOM 0 HA CYS A 94 -3.780 -10.546 -5.250 1.00 0.48 H new ATOM 0 HB2 CYS A 94 -3.143 -7.930 -3.836 1.00 0.74 H new ATOM 0 HB3 CYS A 94 -2.593 -9.519 -3.343 1.00 0.74 H new ATOM 0 HG CYS A 94 -0.972 -9.912 -5.617 1.00 2.01 H new ATOM 1520 N HIS A 95 -5.552 -10.920 -3.627 1.00 0.37 N ATOM 1521 CA HIS A 95 -6.479 -11.216 -2.552 1.00 0.36 C ATOM 1522 C HIS A 95 -5.693 -11.382 -1.263 1.00 0.39 C ATOM 1523 O HIS A 95 -5.269 -12.476 -0.891 1.00 0.56 O ATOM 1524 CB HIS A 95 -7.332 -12.463 -2.849 1.00 0.41 C ATOM 1525 CG HIS A 95 -8.062 -13.004 -1.646 1.00 0.50 C ATOM 1526 ND1 HIS A 95 -8.900 -12.243 -0.850 1.00 1.20 N ATOM 1527 CD2 HIS A 95 -8.040 -14.237 -1.082 1.00 1.23 C ATOM 1528 CE1 HIS A 95 -9.351 -12.985 0.143 1.00 0.99 C ATOM 1529 NE2 HIS A 95 -8.845 -14.195 0.025 1.00 0.95 N ATOM 0 H HIS A 95 -5.184 -11.747 -4.098 1.00 0.37 H new ATOM 0 HA HIS A 95 -7.179 -10.386 -2.453 1.00 0.36 H new ATOM 0 HB2 HIS A 95 -8.059 -12.218 -3.623 1.00 0.41 H new ATOM 0 HB3 HIS A 95 -6.688 -13.244 -3.253 1.00 0.41 H new ATOM 0 HD1 HIS A 95 -9.132 -11.262 -1.007 1.00 1.20 H new ATOM 0 HD2 HIS A 95 -7.489 -15.094 -1.440 1.00 1.23 H new ATOM 0 HE1 HIS A 95 -10.023 -12.655 0.922 1.00 0.99 H new ATOM 1538 N THR A 96 -5.490 -10.272 -0.613 1.00 0.35 N ATOM 1539 CA THR A 96 -4.724 -10.205 0.594 1.00 0.38 C ATOM 1540 C THR A 96 -5.654 -10.100 1.793 1.00 0.36 C ATOM 1541 O THR A 96 -6.585 -9.310 1.793 1.00 0.41 O ATOM 1542 CB THR A 96 -3.802 -8.977 0.530 1.00 0.43 C ATOM 1543 OG1 THR A 96 -2.955 -9.068 -0.624 1.00 0.50 O ATOM 1544 CG2 THR A 96 -2.951 -8.855 1.780 1.00 0.47 C ATOM 0 H THR A 96 -5.861 -9.371 -0.915 1.00 0.35 H new ATOM 0 HA THR A 96 -4.123 -11.108 0.700 1.00 0.38 H new ATOM 0 HB THR A 96 -4.429 -8.088 0.461 1.00 0.43 H new ATOM 0 HG1 THR A 96 -3.156 -8.330 -1.237 1.00 0.50 H new ATOM 0 HG21 THR A 96 -2.311 -7.976 1.700 1.00 0.47 H new ATOM 0 HG22 THR A 96 -3.597 -8.756 2.652 1.00 0.47 H new ATOM 0 HG23 THR A 96 -2.332 -9.746 1.887 1.00 0.47 H new ATOM 1552 N ILE A 97 -5.441 -10.920 2.796 1.00 0.38 N ATOM 1553 CA ILE A 97 -6.189 -10.757 4.028 1.00 0.40 C ATOM 1554 C ILE A 97 -5.544 -9.657 4.853 1.00 0.41 C ATOM 1555 O ILE A 97 -4.331 -9.658 5.068 1.00 0.42 O ATOM 1556 CB ILE A 97 -6.286 -12.051 4.860 1.00 0.47 C ATOM 1557 CG1 ILE A 97 -6.899 -13.183 4.029 1.00 0.56 C ATOM 1558 CG2 ILE A 97 -7.123 -11.800 6.113 1.00 0.51 C ATOM 1559 CD1 ILE A 97 -8.320 -12.913 3.579 1.00 1.03 C ATOM 0 H ILE A 97 -4.773 -11.691 2.789 1.00 0.38 H new ATOM 0 HA ILE A 97 -7.211 -10.492 3.756 1.00 0.40 H new ATOM 0 HB ILE A 97 -5.281 -12.352 5.157 1.00 0.47 H new ATOM 0 HG12 ILE A 97 -6.276 -13.354 3.151 1.00 0.56 H new ATOM 0 HG13 ILE A 97 -6.882 -14.102 4.616 1.00 0.56 H new ATOM 0 HG21 ILE A 97 -7.188 -12.718 6.697 1.00 0.51 H new ATOM 0 HG22 ILE A 97 -6.654 -11.020 6.713 1.00 0.51 H new ATOM 0 HG23 ILE A 97 -8.125 -11.482 5.824 1.00 0.51 H new ATOM 0 HD11 ILE A 97 -8.684 -13.759 2.997 1.00 1.03 H new ATOM 0 HD12 ILE A 97 -8.957 -12.772 4.452 1.00 1.03 H new ATOM 0 HD13 ILE A 97 -8.342 -12.013 2.964 1.00 1.03 H new ATOM 1571 N THR A 98 -6.352 -8.710 5.284 1.00 0.49 N ATOM 1572 CA THR A 98 -5.863 -7.560 6.012 1.00 0.56 C ATOM 1573 C THR A 98 -6.136 -7.724 7.503 1.00 0.63 C ATOM 1574 O THR A 98 -7.166 -8.273 7.901 1.00 0.77 O ATOM 1575 CB THR A 98 -6.553 -6.278 5.518 1.00 0.71 C ATOM 1576 OG1 THR A 98 -6.791 -6.357 4.105 1.00 1.38 O ATOM 1577 CG2 THR A 98 -5.703 -5.055 5.813 1.00 0.86 C ATOM 0 H THR A 98 -7.362 -8.717 5.140 1.00 0.49 H new ATOM 0 HA THR A 98 -4.789 -7.483 5.842 1.00 0.56 H new ATOM 0 HB THR A 98 -7.502 -6.184 6.046 1.00 0.71 H new ATOM 0 HG1 THR A 98 -6.943 -5.457 3.748 1.00 1.38 H new ATOM 0 HG21 THR A 98 -6.214 -4.162 5.454 1.00 0.86 H new ATOM 0 HG22 THR A 98 -5.543 -4.974 6.888 1.00 0.86 H new ATOM 0 HG23 THR A 98 -4.741 -5.150 5.309 1.00 0.86 H new ATOM 1585 N GLN A 99 -5.209 -7.247 8.317 1.00 0.59 N ATOM 1586 CA GLN A 99 -5.352 -7.303 9.761 1.00 0.72 C ATOM 1587 C GLN A 99 -6.135 -6.099 10.275 1.00 0.99 C ATOM 1588 O GLN A 99 -6.528 -5.218 9.506 1.00 1.32 O ATOM 1589 CB GLN A 99 -3.982 -7.351 10.443 1.00 0.61 C ATOM 1590 CG GLN A 99 -3.501 -8.756 10.756 1.00 0.80 C ATOM 1591 CD GLN A 99 -4.455 -9.517 11.660 1.00 1.04 C ATOM 1592 OE1 GLN A 99 -5.412 -10.215 11.068 1.00 1.62 O flip ATOM 1593 NE2 GLN A 99 -4.334 -9.473 12.884 1.00 1.82 N flip ATOM 0 H GLN A 99 -4.343 -6.813 7.998 1.00 0.59 H new ATOM 0 HA GLN A 99 -5.900 -8.213 10.003 1.00 0.72 H new ATOM 0 HB2 GLN A 99 -3.250 -6.861 9.801 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -4.028 -6.778 11.369 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -3.373 -9.307 9.824 1.00 0.80 H new ATOM 0 HG3 GLN A 99 -2.522 -8.702 11.232 1.00 0.80 H new ATOM 0 HE21 GLN A 99 -3.583 -8.924 13.303 1.00 1.82 H new ATOM 0 HE22 GLN A 99 -4.984 -9.986 13.480 1.00 1.82 H new ATOM 1677 N ILE A 106 -11.601 -2.671 14.583 1.00 1.05 N ATOM 1678 CA ILE A 106 -11.801 -2.978 13.180 1.00 0.96 C ATOM 1679 C ILE A 106 -11.765 -4.488 12.979 1.00 0.94 C ATOM 1680 O ILE A 106 -10.967 -5.176 13.608 1.00 1.12 O ATOM 1681 CB ILE A 106 -10.702 -2.306 12.320 1.00 0.93 C ATOM 1682 CG1 ILE A 106 -10.671 -0.798 12.606 1.00 1.01 C ATOM 1683 CG2 ILE A 106 -10.939 -2.571 10.836 1.00 0.98 C ATOM 1684 CD1 ILE A 106 -9.458 -0.084 12.051 1.00 0.94 C ATOM 0 HA ILE A 106 -12.772 -2.593 12.868 1.00 0.96 H new ATOM 0 HB ILE A 106 -9.735 -2.735 12.584 1.00 0.93 H new ATOM 0 HG12 ILE A 106 -11.569 -0.342 12.189 1.00 1.01 H new ATOM 0 HG13 ILE A 106 -10.707 -0.644 13.684 1.00 1.01 H new ATOM 0 HG21 ILE A 106 -10.155 -2.090 10.251 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -10.922 -3.645 10.651 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -11.909 -2.168 10.545 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -9.515 0.976 12.298 1.00 0.94 H new ATOM 0 HD12 ILE A 106 -8.554 -0.510 12.487 1.00 0.94 H new ATOM 0 HD13 ILE A 106 -9.429 -0.203 10.968 1.00 0.94 H new ATOM 1696 N SER A 107 -12.642 -5.002 12.135 1.00 0.84 N ATOM 1697 CA SER A 107 -12.663 -6.424 11.830 1.00 0.86 C ATOM 1698 C SER A 107 -11.659 -6.738 10.717 1.00 0.79 C ATOM 1699 O SER A 107 -11.336 -5.860 9.911 1.00 0.77 O ATOM 1700 CB SER A 107 -14.076 -6.838 11.412 1.00 0.97 C ATOM 1701 OG SER A 107 -15.018 -6.542 12.435 1.00 1.35 O ATOM 0 H SER A 107 -13.351 -4.455 11.647 1.00 0.84 H new ATOM 0 HA SER A 107 -12.378 -6.988 12.718 1.00 0.86 H new ATOM 0 HB2 SER A 107 -14.355 -6.319 10.495 1.00 0.97 H new ATOM 0 HB3 SER A 107 -14.096 -7.905 11.192 1.00 0.97 H new ATOM 0 HG SER A 107 -15.913 -6.814 12.144 1.00 1.35 H new ATOM 1707 N PRO A 108 -11.129 -7.981 10.676 1.00 0.82 N ATOM 1708 CA PRO A 108 -10.200 -8.414 9.626 1.00 0.82 C ATOM 1709 C PRO A 108 -10.768 -8.132 8.244 1.00 0.73 C ATOM 1710 O PRO A 108 -11.917 -8.473 7.952 1.00 0.81 O ATOM 1711 CB PRO A 108 -10.049 -9.927 9.856 1.00 0.91 C ATOM 1712 CG PRO A 108 -11.126 -10.294 10.824 1.00 1.07 C ATOM 1713 CD PRO A 108 -11.393 -9.059 11.635 1.00 0.92 C ATOM 0 HA PRO A 108 -9.247 -7.886 9.672 1.00 0.82 H new ATOM 0 HB2 PRO A 108 -10.157 -10.478 8.922 1.00 0.91 H new ATOM 0 HB3 PRO A 108 -9.064 -10.167 10.256 1.00 0.91 H new ATOM 0 HG2 PRO A 108 -12.026 -10.620 10.302 1.00 1.07 H new ATOM 0 HG3 PRO A 108 -10.812 -11.120 11.463 1.00 1.07 H new ATOM 0 HD2 PRO A 108 -12.418 -9.031 12.004 1.00 0.92 H new ATOM 0 HD3 PRO A 108 -10.739 -8.996 12.505 1.00 0.92 H new ATOM 1721 N ARG A 109 -9.971 -7.518 7.390 1.00 0.61 N ATOM 1722 CA ARG A 109 -10.502 -6.975 6.155 1.00 0.56 C ATOM 1723 C ARG A 109 -10.026 -7.780 4.955 1.00 0.52 C ATOM 1724 O ARG A 109 -8.988 -8.436 5.007 1.00 0.66 O ATOM 1725 CB ARG A 109 -10.080 -5.511 6.005 1.00 0.64 C ATOM 1726 CG ARG A 109 -10.938 -4.736 5.039 1.00 1.05 C ATOM 1727 CD ARG A 109 -10.240 -3.501 4.519 1.00 0.88 C ATOM 1728 NE ARG A 109 -9.233 -3.832 3.506 1.00 1.89 N ATOM 1729 CZ ARG A 109 -8.826 -3.002 2.538 1.00 2.34 C ATOM 1730 NH1 ARG A 109 -9.248 -1.741 2.504 1.00 2.06 N ATOM 1731 NH2 ARG A 109 -7.978 -3.432 1.613 1.00 3.45 N ATOM 0 H ARG A 109 -8.969 -7.384 7.525 1.00 0.61 H new ATOM 0 HA ARG A 109 -11.590 -7.035 6.195 1.00 0.56 H new ATOM 0 HB2 ARG A 109 -10.118 -5.028 6.981 1.00 0.64 H new ATOM 0 HB3 ARG A 109 -9.043 -5.472 5.670 1.00 0.64 H new ATOM 0 HG2 ARG A 109 -11.209 -5.378 4.201 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -11.866 -4.446 5.532 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -10.976 -2.820 4.091 1.00 0.88 H new ATOM 0 HD3 ARG A 109 -9.764 -2.976 5.347 1.00 0.88 H new ATOM 0 HE ARG A 109 -8.813 -4.761 3.541 1.00 1.89 H new ATOM 0 HH11 ARG A 109 -9.888 -1.398 3.220 1.00 2.06 H new ATOM 0 HH12 ARG A 109 -8.931 -1.117 1.762 1.00 2.06 H new ATOM 0 HH21 ARG A 109 -7.638 -4.393 1.640 1.00 3.45 H new ATOM 0 HH22 ARG A 109 -7.666 -2.801 0.874 1.00 3.45 H new ATOM 1745 N ASP A 110 -10.800 -7.736 3.881 1.00 0.46 N ATOM 1746 CA ASP A 110 -10.401 -8.362 2.634 1.00 0.47 C ATOM 1747 C ASP A 110 -9.747 -7.315 1.753 1.00 0.44 C ATOM 1748 O ASP A 110 -10.173 -6.156 1.721 1.00 0.64 O ATOM 1749 CB ASP A 110 -11.597 -8.975 1.898 1.00 0.62 C ATOM 1750 CG ASP A 110 -11.195 -10.114 0.973 1.00 0.83 C ATOM 1751 OD1 ASP A 110 -10.309 -9.897 0.119 1.00 1.37 O ATOM 1752 OD2 ASP A 110 -11.767 -11.221 1.082 1.00 1.32 O ATOM 0 H ASP A 110 -11.708 -7.273 3.850 1.00 0.46 H new ATOM 0 HA ASP A 110 -9.703 -9.169 2.860 1.00 0.47 H new ATOM 0 HB2 ASP A 110 -12.318 -9.342 2.628 1.00 0.62 H new ATOM 0 HB3 ASP A 110 -12.097 -8.200 1.317 1.00 0.62 H new ATOM 1757 N PHE A 111 -8.708 -7.718 1.070 1.00 0.39 N ATOM 1758 CA PHE A 111 -7.968 -6.836 0.201 1.00 0.43 C ATOM 1759 C PHE A 111 -7.941 -7.437 -1.192 1.00 0.41 C ATOM 1760 O PHE A 111 -7.306 -8.460 -1.423 1.00 0.54 O ATOM 1761 CB PHE A 111 -6.554 -6.655 0.773 1.00 0.61 C ATOM 1762 CG PHE A 111 -5.587 -5.822 -0.033 1.00 0.94 C ATOM 1763 CD1 PHE A 111 -5.003 -6.339 -1.179 1.00 1.60 C ATOM 1764 CD2 PHE A 111 -5.306 -4.510 0.320 1.00 1.36 C ATOM 1765 CE1 PHE A 111 -4.150 -5.571 -1.949 1.00 2.30 C ATOM 1766 CE2 PHE A 111 -4.460 -3.735 -0.450 1.00 2.01 C ATOM 1767 CZ PHE A 111 -3.733 -4.309 -1.453 1.00 2.41 C ATOM 0 H PHE A 111 -8.348 -8.672 1.100 1.00 0.39 H new ATOM 0 HA PHE A 111 -8.437 -5.854 0.138 1.00 0.43 H new ATOM 0 HB2 PHE A 111 -6.644 -6.206 1.762 1.00 0.61 H new ATOM 0 HB3 PHE A 111 -6.116 -7.643 0.911 1.00 0.61 H new ATOM 0 HD1 PHE A 111 -5.217 -7.356 -1.474 1.00 1.60 H new ATOM 0 HD2 PHE A 111 -5.754 -4.089 1.208 1.00 1.36 H new ATOM 0 HE1 PHE A 111 -3.807 -5.925 -2.910 1.00 2.30 H new ATOM 0 HE2 PHE A 111 -4.374 -2.676 -0.259 1.00 2.01 H new ATOM 0 HZ PHE A 111 -2.863 -3.815 -1.859 1.00 2.41 H new ATOM 1777 N ILE A 112 -8.676 -6.819 -2.093 1.00 0.34 N ATOM 1778 CA ILE A 112 -8.656 -7.186 -3.500 1.00 0.33 C ATOM 1779 C ILE A 112 -8.307 -5.956 -4.295 1.00 0.35 C ATOM 1780 O ILE A 112 -9.165 -5.324 -4.917 1.00 0.43 O ATOM 1781 CB ILE A 112 -9.993 -7.748 -4.051 1.00 0.34 C ATOM 1782 CG1 ILE A 112 -10.507 -8.909 -3.203 1.00 0.40 C ATOM 1783 CG2 ILE A 112 -9.766 -8.213 -5.476 1.00 0.36 C ATOM 1784 CD1 ILE A 112 -9.734 -10.182 -3.424 1.00 0.42 C ATOM 0 H ILE A 112 -9.306 -6.047 -1.874 1.00 0.34 H new ATOM 0 HA ILE A 112 -7.925 -7.989 -3.596 1.00 0.33 H new ATOM 0 HB ILE A 112 -10.746 -6.961 -4.018 1.00 0.34 H new ATOM 0 HG12 ILE A 112 -10.453 -8.635 -2.149 1.00 0.40 H new ATOM 0 HG13 ILE A 112 -11.558 -9.083 -3.433 1.00 0.40 H new ATOM 0 HG21 ILE A 112 -10.696 -8.612 -5.881 1.00 0.36 H new ATOM 0 HG22 ILE A 112 -9.436 -7.371 -6.085 1.00 0.36 H new ATOM 0 HG23 ILE A 112 -9.002 -8.990 -5.488 1.00 0.36 H new ATOM 0 HD11 ILE A 112 -10.145 -10.971 -2.794 1.00 0.42 H new ATOM 0 HD12 ILE A 112 -9.810 -10.476 -4.471 1.00 0.42 H new ATOM 0 HD13 ILE A 112 -8.687 -10.021 -3.167 1.00 0.42 H new ATOM 1796 N ASP A 113 -7.055 -5.591 -4.248 1.00 0.36 N ATOM 1797 CA ASP A 113 -6.629 -4.381 -4.911 1.00 0.42 C ATOM 1798 C ASP A 113 -5.936 -4.717 -6.207 1.00 0.33 C ATOM 1799 O ASP A 113 -4.994 -5.512 -6.238 1.00 0.35 O ATOM 1800 CB ASP A 113 -5.727 -3.530 -4.015 1.00 0.58 C ATOM 1801 CG ASP A 113 -6.507 -2.712 -2.992 1.00 1.23 C ATOM 1802 OD1 ASP A 113 -7.107 -3.313 -2.071 1.00 1.32 O ATOM 1803 OD2 ASP A 113 -6.521 -1.466 -3.111 1.00 1.86 O ATOM 0 H ASP A 113 -6.317 -6.104 -3.765 1.00 0.36 H new ATOM 0 HA ASP A 113 -7.517 -3.787 -5.129 1.00 0.42 H new ATOM 0 HB2 ASP A 113 -5.025 -4.180 -3.493 1.00 0.58 H new ATOM 0 HB3 ASP A 113 -5.137 -2.857 -4.637 1.00 0.58 H new ATOM 1808 N LEU A 114 -6.444 -4.145 -7.282 1.00 0.28 N ATOM 1809 CA LEU A 114 -5.814 -4.283 -8.576 1.00 0.23 C ATOM 1810 C LEU A 114 -4.619 -3.383 -8.645 1.00 0.22 C ATOM 1811 O LEU A 114 -4.720 -2.165 -8.512 1.00 0.24 O ATOM 1812 CB LEU A 114 -6.760 -3.961 -9.709 1.00 0.23 C ATOM 1813 CG LEU A 114 -6.078 -3.657 -11.044 1.00 0.22 C ATOM 1814 CD1 LEU A 114 -5.608 -4.938 -11.732 1.00 0.21 C ATOM 1815 CD2 LEU A 114 -7.015 -2.854 -11.928 1.00 0.26 C ATOM 0 H LEU A 114 -7.293 -3.580 -7.282 1.00 0.28 H new ATOM 0 HA LEU A 114 -5.512 -5.324 -8.689 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -7.440 -4.802 -9.847 1.00 0.23 H new ATOM 0 HB3 LEU A 114 -7.368 -3.103 -9.424 1.00 0.23 H new ATOM 0 HG LEU A 114 -5.187 -3.058 -10.856 1.00 0.22 H new ATOM 0 HD11 LEU A 114 -5.128 -4.688 -12.678 1.00 0.21 H new ATOM 0 HD12 LEU A 114 -4.896 -5.456 -11.089 1.00 0.21 H new ATOM 0 HD13 LEU A 114 -6.465 -5.585 -11.920 1.00 0.21 H new ATOM 0 HD21 LEU A 114 -6.525 -2.640 -12.878 1.00 0.26 H new ATOM 0 HD22 LEU A 114 -7.924 -3.427 -12.110 1.00 0.26 H new ATOM 0 HD23 LEU A 114 -7.270 -1.917 -11.432 1.00 0.26 H new ATOM 1827 N VAL A 115 -3.509 -3.996 -8.893 1.00 0.23 N ATOM 1828 CA VAL A 115 -2.243 -3.366 -8.721 1.00 0.23 C ATOM 1829 C VAL A 115 -1.443 -3.376 -9.998 1.00 0.23 C ATOM 1830 O VAL A 115 -1.221 -4.424 -10.607 1.00 0.24 O ATOM 1831 CB VAL A 115 -1.498 -4.074 -7.583 1.00 0.24 C ATOM 1832 CG1 VAL A 115 -1.992 -5.511 -7.455 1.00 0.25 C ATOM 1833 CG2 VAL A 115 0.006 -4.017 -7.772 1.00 0.26 C ATOM 0 H VAL A 115 -3.455 -4.959 -9.224 1.00 0.23 H new ATOM 0 HA VAL A 115 -2.390 -2.318 -8.461 1.00 0.23 H new ATOM 0 HB VAL A 115 -1.714 -3.548 -6.653 1.00 0.24 H new ATOM 0 HG11 VAL A 115 -1.459 -6.008 -6.645 1.00 0.25 H new ATOM 0 HG12 VAL A 115 -3.061 -5.511 -7.240 1.00 0.25 H new ATOM 0 HG13 VAL A 115 -1.810 -6.043 -8.389 1.00 0.25 H new ATOM 0 HG21 VAL A 115 0.496 -4.530 -6.945 1.00 0.26 H new ATOM 0 HG22 VAL A 115 0.274 -4.503 -8.710 1.00 0.26 H new ATOM 0 HG23 VAL A 115 0.330 -2.977 -7.797 1.00 0.26 H new ATOM 1843 N TYR A 116 -1.042 -2.199 -10.428 1.00 0.25 N ATOM 1844 CA TYR A 116 -0.179 -2.104 -11.582 1.00 0.25 C ATOM 1845 C TYR A 116 1.154 -1.493 -11.201 1.00 0.26 C ATOM 1846 O TYR A 116 1.212 -0.398 -10.638 1.00 0.28 O ATOM 1847 CB TYR A 116 -0.832 -1.306 -12.718 1.00 0.31 C ATOM 1848 CG TYR A 116 0.017 -1.201 -13.972 1.00 0.83 C ATOM 1849 CD1 TYR A 116 0.961 -0.194 -14.106 1.00 1.10 C ATOM 1850 CD2 TYR A 116 -0.121 -2.103 -15.019 1.00 1.31 C ATOM 1851 CE1 TYR A 116 1.739 -0.084 -15.240 1.00 1.65 C ATOM 1852 CE2 TYR A 116 0.654 -1.998 -16.157 1.00 1.87 C ATOM 1853 CZ TYR A 116 1.564 -1.030 -16.279 1.00 1.99 C ATOM 1854 OH TYR A 116 2.360 -0.884 -17.395 1.00 2.57 O ATOM 0 H TYR A 116 -1.296 -1.307 -10.002 1.00 0.25 H new ATOM 0 HA TYR A 116 -0.010 -3.117 -11.948 1.00 0.25 H new ATOM 0 HB2 TYR A 116 -1.783 -1.772 -12.975 1.00 0.31 H new ATOM 0 HB3 TYR A 116 -1.056 -0.301 -12.359 1.00 0.31 H new ATOM 0 HD1 TYR A 116 1.090 0.519 -13.305 1.00 1.10 H new ATOM 0 HD2 TYR A 116 -0.846 -2.900 -14.942 1.00 1.31 H new ATOM 0 HE1 TYR A 116 2.467 0.708 -15.333 1.00 1.65 H new ATOM 0 HE2 TYR A 116 0.522 -2.709 -16.959 1.00 1.87 H new ATOM 0 HH TYR A 116 1.795 -0.755 -18.185 1.00 2.57 H new ATOM 1864 N ILE A 117 2.213 -2.202 -11.521 1.00 0.30 N ATOM 1865 CA ILE A 117 3.551 -1.777 -11.178 1.00 0.33 C ATOM 1866 C ILE A 117 4.206 -1.064 -12.359 1.00 0.38 C ATOM 1867 O ILE A 117 4.696 -1.690 -13.299 1.00 0.46 O ATOM 1868 CB ILE A 117 4.393 -2.985 -10.715 1.00 0.42 C ATOM 1869 CG1 ILE A 117 3.759 -3.597 -9.460 1.00 0.45 C ATOM 1870 CG2 ILE A 117 5.833 -2.577 -10.442 1.00 0.52 C ATOM 1871 CD1 ILE A 117 4.338 -4.934 -9.061 1.00 0.89 C ATOM 0 H ILE A 117 2.171 -3.088 -12.025 1.00 0.30 H new ATOM 0 HA ILE A 117 3.495 -1.068 -10.352 1.00 0.33 H new ATOM 0 HB ILE A 117 4.407 -3.729 -11.512 1.00 0.42 H new ATOM 0 HG12 ILE A 117 3.878 -2.900 -8.630 1.00 0.45 H new ATOM 0 HG13 ILE A 117 2.688 -3.713 -9.628 1.00 0.45 H new ATOM 0 HG21 ILE A 117 6.403 -3.448 -10.118 1.00 0.52 H new ATOM 0 HG22 ILE A 117 6.275 -2.173 -11.352 1.00 0.52 H new ATOM 0 HG23 ILE A 117 5.854 -1.818 -9.660 1.00 0.52 H new ATOM 0 HD11 ILE A 117 3.834 -5.296 -8.165 1.00 0.89 H new ATOM 0 HD12 ILE A 117 4.195 -5.649 -9.871 1.00 0.89 H new ATOM 0 HD13 ILE A 117 5.403 -4.823 -8.858 1.00 0.89 H new ATOM 1883 N LYS A 118 4.179 0.260 -12.302 1.00 0.42 N ATOM 1884 CA LYS A 118 4.778 1.101 -13.327 1.00 0.52 C ATOM 1885 C LYS A 118 6.108 1.619 -12.820 1.00 0.39 C ATOM 1886 O LYS A 118 6.212 2.052 -11.676 1.00 0.34 O ATOM 1887 CB LYS A 118 3.856 2.288 -13.657 1.00 0.70 C ATOM 1888 CG LYS A 118 4.372 3.180 -14.783 1.00 0.93 C ATOM 1889 CD LYS A 118 4.162 2.548 -16.152 1.00 0.94 C ATOM 1890 CE LYS A 118 2.742 2.764 -16.661 1.00 0.72 C ATOM 1891 NZ LYS A 118 2.542 4.137 -17.197 1.00 1.20 N ATOM 0 H LYS A 118 3.741 0.781 -11.543 1.00 0.42 H new ATOM 0 HA LYS A 118 4.924 0.513 -14.233 1.00 0.52 H new ATOM 0 HB2 LYS A 118 2.873 1.906 -13.932 1.00 0.70 H new ATOM 0 HB3 LYS A 118 3.724 2.893 -12.760 1.00 0.70 H new ATOM 0 HG2 LYS A 118 3.862 4.143 -14.746 1.00 0.93 H new ATOM 0 HG3 LYS A 118 5.434 3.376 -14.633 1.00 0.93 H new ATOM 0 HD2 LYS A 118 4.872 2.973 -16.862 1.00 0.94 H new ATOM 0 HD3 LYS A 118 4.370 1.479 -16.095 1.00 0.94 H new ATOM 0 HE2 LYS A 118 2.522 2.035 -17.441 1.00 0.72 H new ATOM 0 HE3 LYS A 118 2.036 2.585 -15.850 1.00 0.72 H new ATOM 0 HZ1 LYS A 118 1.556 4.429 -17.044 1.00 1.20 H new ATOM 0 HZ2 LYS A 118 3.179 4.797 -16.707 1.00 1.20 H new ATOM 0 HZ3 LYS A 118 2.751 4.146 -18.216 1.00 1.20 H new ATOM 1905 N ARG A 119 7.130 1.577 -13.644 1.00 0.52 N ATOM 1906 CA ARG A 119 8.391 2.124 -13.246 1.00 0.52 C ATOM 1907 C ARG A 119 8.821 3.154 -14.264 1.00 0.49 C ATOM 1908 O ARG A 119 9.069 2.852 -15.427 1.00 0.58 O ATOM 1909 CB ARG A 119 9.438 1.017 -13.034 1.00 0.79 C ATOM 1910 CG ARG A 119 9.829 0.257 -14.289 1.00 1.00 C ATOM 1911 CD ARG A 119 11.040 0.883 -14.955 1.00 1.25 C ATOM 1912 NE ARG A 119 12.261 0.662 -14.186 1.00 1.68 N ATOM 1913 CZ ARG A 119 13.466 1.069 -14.579 1.00 2.18 C ATOM 1914 NH1 ARG A 119 13.613 1.671 -15.754 1.00 2.57 N ATOM 1915 NH2 ARG A 119 14.523 0.864 -13.803 1.00 2.80 N ATOM 0 H ARG A 119 7.107 1.174 -14.581 1.00 0.52 H new ATOM 0 HA ARG A 119 8.291 2.622 -12.281 1.00 0.52 H new ATOM 0 HB2 ARG A 119 10.334 1.463 -12.603 1.00 0.79 H new ATOM 0 HB3 ARG A 119 9.052 0.307 -12.303 1.00 0.79 H new ATOM 0 HG2 ARG A 119 10.046 -0.781 -14.036 1.00 1.00 H new ATOM 0 HG3 ARG A 119 8.992 0.247 -14.987 1.00 1.00 H new ATOM 0 HD2 ARG A 119 11.160 0.466 -15.955 1.00 1.25 H new ATOM 0 HD3 ARG A 119 10.875 1.954 -15.074 1.00 1.25 H new ATOM 0 HE ARG A 119 12.187 0.168 -13.297 1.00 1.68 H new ATOM 0 HH11 ARG A 119 12.803 1.821 -16.355 1.00 2.57 H new ATOM 0 HH12 ARG A 119 14.536 1.983 -16.055 1.00 2.57 H new ATOM 0 HH21 ARG A 119 14.413 0.394 -12.904 1.00 2.80 H new ATOM 0 HH22 ARG A 119 15.446 1.176 -14.105 1.00 2.80 H new ATOM 1929 N TYR A 120 8.801 4.386 -13.840 1.00 0.43 N ATOM 1930 CA TYR A 120 9.358 5.451 -14.626 1.00 0.46 C ATOM 1931 C TYR A 120 10.865 5.407 -14.476 1.00 0.50 C ATOM 1932 O TYR A 120 11.368 5.495 -13.363 1.00 0.48 O ATOM 1933 CB TYR A 120 8.801 6.800 -14.178 1.00 0.46 C ATOM 1934 CG TYR A 120 7.371 7.039 -14.593 1.00 0.51 C ATOM 1935 CD1 TYR A 120 6.312 6.480 -13.887 1.00 0.58 C ATOM 1936 CD2 TYR A 120 7.081 7.825 -15.698 1.00 0.76 C ATOM 1937 CE1 TYR A 120 5.006 6.701 -14.274 1.00 0.66 C ATOM 1938 CE2 TYR A 120 5.780 8.049 -16.091 1.00 0.83 C ATOM 1939 CZ TYR A 120 4.746 7.487 -15.378 1.00 0.70 C ATOM 1940 OH TYR A 120 3.448 7.706 -15.774 1.00 0.81 O ATOM 0 H TYR A 120 8.402 4.679 -12.948 1.00 0.43 H new ATOM 0 HA TYR A 120 9.088 5.325 -15.674 1.00 0.46 H new ATOM 0 HB2 TYR A 120 8.870 6.868 -13.092 1.00 0.46 H new ATOM 0 HB3 TYR A 120 9.425 7.594 -14.588 1.00 0.46 H new ATOM 0 HD1 TYR A 120 6.514 5.864 -13.023 1.00 0.58 H new ATOM 0 HD2 TYR A 120 7.889 8.269 -16.260 1.00 0.76 H new ATOM 0 HE1 TYR A 120 4.192 6.261 -13.716 1.00 0.66 H new ATOM 0 HE2 TYR A 120 5.572 8.663 -16.955 1.00 0.83 H new ATOM 0 HH TYR A 120 3.027 6.851 -16.004 1.00 0.81 H new ATOM 1950 N GLU A 121 11.532 5.161 -15.598 1.00 0.61 N ATOM 1951 CA GLU A 121 12.998 5.102 -15.714 1.00 0.73 C ATOM 1952 C GLU A 121 13.720 5.980 -14.697 1.00 0.70 C ATOM 1953 O GLU A 121 13.936 7.172 -14.929 1.00 0.79 O ATOM 1954 CB GLU A 121 13.440 5.520 -17.122 1.00 0.96 C ATOM 1955 CG GLU A 121 12.916 4.634 -18.243 1.00 1.06 C ATOM 1956 CD GLU A 121 11.441 4.826 -18.512 1.00 1.69 C ATOM 1957 OE1 GLU A 121 11.093 5.714 -19.314 1.00 2.27 O ATOM 1958 OE2 GLU A 121 10.623 4.089 -17.924 1.00 2.28 O ATOM 0 H GLU A 121 11.058 4.991 -16.485 1.00 0.61 H new ATOM 0 HA GLU A 121 13.272 4.066 -15.513 1.00 0.73 H new ATOM 0 HB2 GLU A 121 13.111 6.543 -17.302 1.00 0.96 H new ATOM 0 HB3 GLU A 121 14.529 5.524 -17.160 1.00 0.96 H new ATOM 0 HG2 GLU A 121 13.475 4.843 -19.155 1.00 1.06 H new ATOM 0 HG3 GLU A 121 13.100 3.590 -17.989 1.00 1.06 H new ATOM 1965 N GLY A 122 14.080 5.365 -13.576 1.00 0.67 N ATOM 1966 CA GLY A 122 14.810 6.049 -12.520 1.00 0.71 C ATOM 1967 C GLY A 122 14.090 7.279 -12.031 1.00 0.66 C ATOM 1968 O GLY A 122 14.704 8.293 -11.701 1.00 0.76 O ATOM 0 H GLY A 122 13.875 4.386 -13.376 1.00 0.67 H new ATOM 0 HA2 GLY A 122 14.963 5.365 -11.686 1.00 0.71 H new ATOM 0 HA3 GLY A 122 15.797 6.330 -12.887 1.00 0.71 H new ATOM 1972 N ASN A 123 12.782 7.173 -11.982 1.00 0.57 N ATOM 1973 CA ASN A 123 11.929 8.273 -11.602 1.00 0.54 C ATOM 1974 C ASN A 123 10.969 7.824 -10.510 1.00 0.45 C ATOM 1975 O ASN A 123 10.920 8.422 -9.436 1.00 0.45 O ATOM 1976 CB ASN A 123 11.158 8.753 -12.829 1.00 0.60 C ATOM 1977 CG ASN A 123 10.337 10.002 -12.568 1.00 1.01 C ATOM 1978 OD1 ASN A 123 10.701 10.839 -11.742 1.00 1.65 O ATOM 1979 ND2 ASN A 123 9.235 10.148 -13.288 1.00 1.61 N ATOM 0 H ASN A 123 12.278 6.315 -12.206 1.00 0.57 H new ATOM 0 HA ASN A 123 12.532 9.095 -11.215 1.00 0.54 H new ATOM 0 HB2 ASN A 123 11.862 8.951 -13.638 1.00 0.60 H new ATOM 0 HB3 ASN A 123 10.497 7.956 -13.169 1.00 0.60 H new ATOM 0 HD21 ASN A 123 8.654 10.977 -13.168 1.00 1.61 H new ATOM 0 HD22 ASN A 123 8.968 9.431 -13.963 1.00 1.61 H new ATOM 1986 N MET A 124 10.246 6.731 -10.775 1.00 0.39 N ATOM 1987 CA MET A 124 9.267 6.197 -9.822 1.00 0.34 C ATOM 1988 C MET A 124 9.007 4.721 -10.078 1.00 0.33 C ATOM 1989 O MET A 124 8.647 4.329 -11.182 1.00 0.40 O ATOM 1990 CB MET A 124 7.925 6.952 -9.867 1.00 0.34 C ATOM 1991 CG MET A 124 7.886 8.216 -9.021 1.00 0.56 C ATOM 1992 SD MET A 124 8.212 9.711 -9.971 1.00 1.09 S ATOM 1993 CE MET A 124 8.415 10.904 -8.650 1.00 1.12 C ATOM 0 H MET A 124 10.320 6.199 -11.642 1.00 0.39 H new ATOM 0 HA MET A 124 9.704 6.333 -8.833 1.00 0.34 H new ATOM 0 HB2 MET A 124 7.705 7.215 -10.902 1.00 0.34 H new ATOM 0 HB3 MET A 124 7.133 6.281 -9.533 1.00 0.34 H new ATOM 0 HG2 MET A 124 6.908 8.299 -8.548 1.00 0.56 H new ATOM 0 HG3 MET A 124 8.621 8.133 -8.221 1.00 0.56 H new ATOM 0 HE1 MET A 124 7.657 11.681 -8.742 1.00 1.12 H new ATOM 0 HE2 MET A 124 8.307 10.403 -7.688 1.00 1.12 H new ATOM 0 HE3 MET A 124 9.406 11.354 -8.715 1.00 1.12 H new ATOM 2003 N ASN A 125 9.180 3.917 -9.045 1.00 0.34 N ATOM 2004 CA ASN A 125 8.887 2.496 -9.103 1.00 0.37 C ATOM 2005 C ASN A 125 7.631 2.237 -8.295 1.00 0.32 C ATOM 2006 O ASN A 125 7.695 1.873 -7.121 1.00 0.37 O ATOM 2007 CB ASN A 125 10.058 1.678 -8.546 1.00 0.50 C ATOM 2008 CG ASN A 125 11.339 1.879 -9.333 1.00 0.95 C ATOM 2009 OD1 ASN A 125 12.106 2.804 -9.068 1.00 1.58 O ATOM 2010 ND2 ASN A 125 11.585 1.011 -10.302 1.00 1.62 N ATOM 0 H ASN A 125 9.529 4.232 -8.140 1.00 0.34 H new ATOM 0 HA ASN A 125 8.736 2.193 -10.139 1.00 0.37 H new ATOM 0 HB2 ASN A 125 10.228 1.956 -7.506 1.00 0.50 H new ATOM 0 HB3 ASN A 125 9.794 0.621 -8.554 1.00 0.50 H new ATOM 0 HD21 ASN A 125 12.435 1.096 -10.859 1.00 1.62 H new ATOM 0 HD22 ASN A 125 10.924 0.257 -10.491 1.00 1.62 H new ATOM 2017 N ILE A 126 6.489 2.462 -8.917 1.00 0.26 N ATOM 2018 CA ILE A 126 5.219 2.427 -8.217 1.00 0.23 C ATOM 2019 C ILE A 126 4.471 1.126 -8.440 1.00 0.27 C ATOM 2020 O ILE A 126 4.441 0.597 -9.546 1.00 0.30 O ATOM 2021 CB ILE A 126 4.291 3.594 -8.653 1.00 0.22 C ATOM 2022 CG1 ILE A 126 2.826 3.271 -8.309 1.00 0.24 C ATOM 2023 CG2 ILE A 126 4.453 3.901 -10.134 1.00 0.24 C ATOM 2024 CD1 ILE A 126 1.803 4.184 -8.947 1.00 0.26 C ATOM 0 H ILE A 126 6.415 2.672 -9.912 1.00 0.26 H new ATOM 0 HA ILE A 126 5.468 2.522 -7.160 1.00 0.23 H new ATOM 0 HB ILE A 126 4.583 4.487 -8.101 1.00 0.22 H new ATOM 0 HG12 ILE A 126 2.615 2.246 -8.612 1.00 0.24 H new ATOM 0 HG13 ILE A 126 2.705 3.314 -7.227 1.00 0.24 H new ATOM 0 HG21 ILE A 126 3.791 4.722 -10.410 1.00 0.24 H new ATOM 0 HG22 ILE A 126 5.486 4.184 -10.336 1.00 0.24 H new ATOM 0 HG23 ILE A 126 4.198 3.017 -10.719 1.00 0.24 H new ATOM 0 HD11 ILE A 126 0.802 3.876 -8.645 1.00 0.26 H new ATOM 0 HD12 ILE A 126 1.980 5.210 -8.625 1.00 0.26 H new ATOM 0 HD13 ILE A 126 1.889 4.125 -10.032 1.00 0.26 H new ATOM 2036 N ILE A 127 3.865 0.620 -7.380 1.00 0.30 N ATOM 2037 CA ILE A 127 2.790 -0.328 -7.534 1.00 0.34 C ATOM 2038 C ILE A 127 1.495 0.391 -7.176 1.00 0.38 C ATOM 2039 O ILE A 127 1.362 0.977 -6.098 1.00 0.45 O ATOM 2040 CB ILE A 127 2.961 -1.630 -6.694 1.00 0.41 C ATOM 2041 CG1 ILE A 127 2.161 -1.585 -5.385 1.00 0.42 C ATOM 2042 CG2 ILE A 127 4.436 -1.880 -6.402 1.00 0.50 C ATOM 2043 CD1 ILE A 127 1.980 -2.940 -4.736 1.00 0.59 C ATOM 0 H ILE A 127 4.100 0.851 -6.415 1.00 0.30 H new ATOM 0 HA ILE A 127 2.783 -0.673 -8.568 1.00 0.34 H new ATOM 0 HB ILE A 127 2.565 -2.453 -7.288 1.00 0.41 H new ATOM 0 HG12 ILE A 127 2.666 -0.921 -4.684 1.00 0.42 H new ATOM 0 HG13 ILE A 127 1.180 -1.153 -5.584 1.00 0.42 H new ATOM 0 HG21 ILE A 127 4.541 -2.792 -5.815 1.00 0.50 H new ATOM 0 HG22 ILE A 127 4.980 -1.988 -7.341 1.00 0.50 H new ATOM 0 HG23 ILE A 127 4.844 -1.039 -5.841 1.00 0.50 H new ATOM 0 HD11 ILE A 127 1.406 -2.829 -3.816 1.00 0.59 H new ATOM 0 HD12 ILE A 127 1.448 -3.602 -5.419 1.00 0.59 H new ATOM 0 HD13 ILE A 127 2.956 -3.366 -4.505 1.00 0.59 H new ATOM 2055 N SER A 128 0.596 0.465 -8.123 1.00 0.39 N ATOM 2056 CA SER A 128 -0.708 1.021 -7.857 1.00 0.50 C ATOM 2057 C SER A 128 -1.586 -0.050 -7.244 1.00 0.55 C ATOM 2058 O SER A 128 -1.227 -1.214 -7.252 1.00 1.00 O ATOM 2059 CB SER A 128 -1.324 1.577 -9.138 1.00 0.68 C ATOM 2060 OG SER A 128 -1.308 0.616 -10.177 1.00 1.18 O ATOM 0 H SER A 128 0.740 0.149 -9.082 1.00 0.39 H new ATOM 0 HA SER A 128 -0.618 1.849 -7.154 1.00 0.50 H new ATOM 0 HB2 SER A 128 -2.350 1.889 -8.945 1.00 0.68 H new ATOM 0 HB3 SER A 128 -0.775 2.464 -9.452 1.00 0.68 H new ATOM 0 HG SER A 128 -0.381 0.393 -10.402 1.00 1.18 H new ATOM 2066 N SER A 129 -2.714 0.349 -6.707 1.00 0.30 N ATOM 2067 CA SER A 129 -3.626 -0.577 -6.057 1.00 0.31 C ATOM 2068 C SER A 129 -5.033 0.015 -6.007 1.00 0.31 C ATOM 2069 O SER A 129 -5.249 1.085 -5.437 1.00 0.43 O ATOM 2070 CB SER A 129 -3.121 -0.899 -4.649 1.00 0.40 C ATOM 2071 OG SER A 129 -2.974 0.284 -3.880 1.00 1.24 O ATOM 0 H SER A 129 -3.030 1.319 -6.705 1.00 0.30 H new ATOM 0 HA SER A 129 -3.667 -1.502 -6.632 1.00 0.31 H new ATOM 0 HB2 SER A 129 -3.819 -1.575 -4.154 1.00 0.40 H new ATOM 0 HB3 SER A 129 -2.164 -1.418 -4.711 1.00 0.40 H new ATOM 0 HG SER A 129 -3.579 0.974 -4.223 1.00 1.24 H new ATOM 2077 N LYS A 130 -5.982 -0.670 -6.619 1.00 0.27 N ATOM 2078 CA LYS A 130 -7.336 -0.188 -6.705 1.00 0.32 C ATOM 2079 C LYS A 130 -8.261 -1.312 -6.305 1.00 0.37 C ATOM 2080 O LYS A 130 -8.299 -2.330 -6.991 1.00 0.41 O ATOM 2081 CB LYS A 130 -7.607 0.246 -8.145 1.00 0.40 C ATOM 2082 CG LYS A 130 -9.068 0.519 -8.464 1.00 0.90 C ATOM 2083 CD LYS A 130 -9.285 0.811 -9.947 1.00 0.80 C ATOM 2084 CE LYS A 130 -8.538 -0.153 -10.839 1.00 1.42 C ATOM 2085 NZ LYS A 130 -7.191 0.360 -11.185 1.00 2.26 N ATOM 0 H LYS A 130 -5.830 -1.573 -7.067 1.00 0.27 H new ATOM 0 HA LYS A 130 -7.497 0.663 -6.044 1.00 0.32 H new ATOM 0 HB2 LYS A 130 -7.030 1.147 -8.353 1.00 0.40 H new ATOM 0 HB3 LYS A 130 -7.241 -0.529 -8.818 1.00 0.40 H new ATOM 0 HG2 LYS A 130 -9.670 -0.342 -8.172 1.00 0.90 H new ATOM 0 HG3 LYS A 130 -9.416 1.366 -7.873 1.00 0.90 H new ATOM 0 HD2 LYS A 130 -10.350 0.760 -10.173 1.00 0.80 H new ATOM 0 HD3 LYS A 130 -8.962 1.829 -10.165 1.00 0.80 H new ATOM 0 HE2 LYS A 130 -8.444 -1.116 -10.337 1.00 1.42 H new ATOM 0 HE3 LYS A 130 -9.109 -0.323 -11.752 1.00 1.42 H new ATOM 0 HZ1 LYS A 130 -6.950 0.075 -12.156 1.00 2.26 H new ATOM 0 HZ2 LYS A 130 -7.187 1.398 -11.118 1.00 2.26 H new ATOM 0 HZ3 LYS A 130 -6.490 -0.032 -10.524 1.00 2.26 H new ATOM 2099 N SER A 131 -8.979 -1.150 -5.201 1.00 0.41 N ATOM 2100 CA SER A 131 -9.847 -2.203 -4.720 1.00 0.44 C ATOM 2101 C SER A 131 -10.887 -2.457 -5.777 1.00 0.41 C ATOM 2102 O SER A 131 -11.862 -1.712 -5.921 1.00 0.47 O ATOM 2103 CB SER A 131 -10.497 -1.830 -3.395 1.00 0.56 C ATOM 2104 OG SER A 131 -11.363 -0.722 -3.550 1.00 1.39 O ATOM 0 H SER A 131 -8.974 -0.305 -4.630 1.00 0.41 H new ATOM 0 HA SER A 131 -9.265 -3.106 -4.535 1.00 0.44 H new ATOM 0 HB2 SER A 131 -11.056 -2.682 -3.007 1.00 0.56 H new ATOM 0 HB3 SER A 131 -9.726 -1.594 -2.661 1.00 0.56 H new ATOM 0 HG SER A 131 -11.784 -0.757 -4.434 1.00 1.39 H new ATOM 2110 N VAL A 132 -10.664 -3.489 -6.535 1.00 0.35 N ATOM 2111 CA VAL A 132 -11.380 -3.663 -7.745 1.00 0.36 C ATOM 2112 C VAL A 132 -12.369 -4.792 -7.569 1.00 0.37 C ATOM 2113 O VAL A 132 -12.072 -5.819 -6.955 1.00 0.46 O ATOM 2114 CB VAL A 132 -10.411 -3.895 -8.928 1.00 0.40 C ATOM 2115 CG1 VAL A 132 -10.327 -5.336 -9.352 1.00 0.88 C ATOM 2116 CG2 VAL A 132 -10.764 -3.004 -10.097 1.00 1.05 C ATOM 0 H VAL A 132 -9.986 -4.222 -6.328 1.00 0.35 H new ATOM 0 HA VAL A 132 -11.938 -2.758 -7.985 1.00 0.36 H new ATOM 0 HB VAL A 132 -9.418 -3.625 -8.569 1.00 0.40 H new ATOM 0 HG11 VAL A 132 -9.631 -5.430 -10.185 1.00 0.88 H new ATOM 0 HG12 VAL A 132 -9.976 -5.941 -8.516 1.00 0.88 H new ATOM 0 HG13 VAL A 132 -11.313 -5.682 -9.662 1.00 0.88 H new ATOM 0 HG21 VAL A 132 -10.068 -3.186 -10.916 1.00 1.05 H new ATOM 0 HG22 VAL A 132 -11.779 -3.223 -10.428 1.00 1.05 H new ATOM 0 HG23 VAL A 132 -10.699 -1.960 -9.791 1.00 1.05 H new ATOM 2126 N ASP A 133 -13.548 -4.583 -8.087 1.00 0.39 N ATOM 2127 CA ASP A 133 -14.661 -5.452 -7.793 1.00 0.43 C ATOM 2128 C ASP A 133 -14.835 -6.417 -8.939 1.00 0.43 C ATOM 2129 O ASP A 133 -15.829 -6.406 -9.667 1.00 0.59 O ATOM 2130 CB ASP A 133 -15.900 -4.609 -7.545 1.00 0.54 C ATOM 2131 CG ASP A 133 -16.992 -5.368 -6.816 1.00 1.27 C ATOM 2132 OD1 ASP A 133 -17.815 -6.028 -7.483 1.00 1.39 O ATOM 2133 OD2 ASP A 133 -17.032 -5.301 -5.567 1.00 2.17 O ATOM 0 H ASP A 133 -13.767 -3.813 -8.720 1.00 0.39 H new ATOM 0 HA ASP A 133 -14.481 -6.036 -6.890 1.00 0.43 H new ATOM 0 HB2 ASP A 133 -15.625 -3.729 -6.963 1.00 0.54 H new ATOM 0 HB3 ASP A 133 -16.287 -4.251 -8.499 1.00 0.54 H new ATOM 2138 N PHE A 134 -13.816 -7.230 -9.095 1.00 0.35 N ATOM 2139 CA PHE A 134 -13.686 -8.115 -10.232 1.00 0.40 C ATOM 2140 C PHE A 134 -14.329 -9.477 -9.934 1.00 0.46 C ATOM 2141 O PHE A 134 -14.577 -9.818 -8.776 1.00 0.50 O ATOM 2142 CB PHE A 134 -12.193 -8.247 -10.575 1.00 0.39 C ATOM 2143 CG PHE A 134 -11.418 -9.142 -9.653 1.00 0.38 C ATOM 2144 CD1 PHE A 134 -11.748 -9.257 -8.313 1.00 0.36 C ATOM 2145 CD2 PHE A 134 -10.355 -9.870 -10.136 1.00 0.51 C ATOM 2146 CE1 PHE A 134 -11.042 -10.086 -7.484 1.00 0.42 C ATOM 2147 CE2 PHE A 134 -9.636 -10.698 -9.306 1.00 0.53 C ATOM 2148 CZ PHE A 134 -9.984 -10.808 -7.979 1.00 0.45 C ATOM 0 H PHE A 134 -13.046 -7.297 -8.430 1.00 0.35 H new ATOM 0 HA PHE A 134 -14.212 -7.704 -11.094 1.00 0.40 H new ATOM 0 HB2 PHE A 134 -12.099 -8.627 -11.592 1.00 0.39 H new ATOM 0 HB3 PHE A 134 -11.741 -7.255 -10.562 1.00 0.39 H new ATOM 0 HD1 PHE A 134 -12.574 -8.685 -7.917 1.00 0.36 H new ATOM 0 HD2 PHE A 134 -10.082 -9.790 -11.178 1.00 0.51 H new ATOM 0 HE1 PHE A 134 -11.316 -10.172 -6.443 1.00 0.42 H new ATOM 0 HE2 PHE A 134 -8.800 -11.261 -9.695 1.00 0.53 H new ATOM 0 HZ PHE A 134 -9.425 -11.462 -7.327 1.00 0.45 H new ATOM 2158 N PRO A 135 -14.622 -10.267 -10.977 1.00 0.61 N ATOM 2159 CA PRO A 135 -15.355 -11.531 -10.843 1.00 0.75 C ATOM 2160 C PRO A 135 -14.524 -12.699 -10.326 1.00 0.92 C ATOM 2161 O PRO A 135 -15.083 -13.731 -9.955 1.00 1.13 O ATOM 2162 CB PRO A 135 -15.780 -11.860 -12.270 1.00 1.28 C ATOM 2163 CG PRO A 135 -15.427 -10.669 -13.099 1.00 1.19 C ATOM 2164 CD PRO A 135 -14.304 -9.988 -12.381 1.00 0.76 C ATOM 0 HA PRO A 135 -16.161 -11.404 -10.120 1.00 0.75 H new ATOM 0 HB2 PRO A 135 -15.268 -12.751 -12.632 1.00 1.28 H new ATOM 0 HB3 PRO A 135 -16.849 -12.065 -12.320 1.00 1.28 H new ATOM 0 HG2 PRO A 135 -15.125 -10.967 -14.103 1.00 1.19 H new ATOM 0 HG3 PRO A 135 -16.282 -10.002 -13.209 1.00 1.19 H new ATOM 0 HD2 PRO A 135 -13.333 -10.392 -12.667 1.00 0.76 H new ATOM 0 HD3 PRO A 135 -14.277 -8.918 -12.588 1.00 0.76 H new ATOM 2172 N GLU A 136 -13.201 -12.556 -10.298 1.00 1.10 N ATOM 2173 CA GLU A 136 -12.336 -13.665 -9.994 1.00 1.59 C ATOM 2174 C GLU A 136 -12.433 -13.991 -8.521 1.00 1.68 C ATOM 2175 O GLU A 136 -12.064 -15.085 -8.086 1.00 2.17 O ATOM 2176 CB GLU A 136 -10.917 -13.294 -10.378 1.00 1.78 C ATOM 2177 CG GLU A 136 -9.949 -14.447 -10.414 1.00 2.38 C ATOM 2178 CD GLU A 136 -10.135 -15.331 -11.628 1.00 3.03 C ATOM 2179 OE1 GLU A 136 -11.007 -16.220 -11.594 1.00 3.30 O ATOM 2180 OE2 GLU A 136 -9.406 -15.137 -12.624 1.00 3.50 O ATOM 0 H GLU A 136 -12.716 -11.678 -10.484 1.00 1.10 H new ATOM 0 HA GLU A 136 -12.635 -14.549 -10.557 1.00 1.59 H new ATOM 0 HB2 GLU A 136 -10.933 -12.821 -11.360 1.00 1.78 H new ATOM 0 HB3 GLU A 136 -10.548 -12.550 -9.672 1.00 1.78 H new ATOM 0 HG2 GLU A 136 -8.930 -14.060 -10.404 1.00 2.38 H new ATOM 0 HG3 GLU A 136 -10.071 -15.046 -9.512 1.00 2.38 H new ATOM 2187 N TYR A 137 -12.949 -13.040 -7.748 1.00 1.38 N ATOM 2188 CA TYR A 137 -13.087 -13.261 -6.321 1.00 1.79 C ATOM 2189 C TYR A 137 -14.042 -12.283 -5.648 1.00 1.42 C ATOM 2190 O TYR A 137 -13.768 -11.087 -5.568 1.00 1.58 O ATOM 2191 CB TYR A 137 -11.724 -13.170 -5.657 1.00 2.49 C ATOM 2192 CG TYR A 137 -11.679 -13.858 -4.314 1.00 3.43 C ATOM 2193 CD1 TYR A 137 -11.419 -15.217 -4.218 1.00 4.47 C ATOM 2194 CD2 TYR A 137 -11.876 -13.143 -3.142 1.00 3.49 C ATOM 2195 CE1 TYR A 137 -11.358 -15.845 -2.994 1.00 5.35 C ATOM 2196 CE2 TYR A 137 -11.820 -13.765 -1.911 1.00 4.37 C ATOM 2197 CZ TYR A 137 -11.636 -15.130 -1.847 1.00 5.22 C ATOM 2198 OH TYR A 137 -11.498 -15.741 -0.618 1.00 6.12 O ATOM 0 H TYR A 137 -13.270 -12.131 -8.080 1.00 1.38 H new ATOM 0 HA TYR A 137 -13.513 -14.257 -6.199 1.00 1.79 H new ATOM 0 HB2 TYR A 137 -10.975 -13.614 -6.313 1.00 2.49 H new ATOM 0 HB3 TYR A 137 -11.456 -12.121 -5.532 1.00 2.49 H new ATOM 0 HD1 TYR A 137 -11.262 -15.792 -5.118 1.00 4.47 H new ATOM 0 HD2 TYR A 137 -12.076 -12.083 -3.193 1.00 3.49 H new ATOM 0 HE1 TYR A 137 -11.094 -16.890 -2.932 1.00 5.35 H new ATOM 0 HE2 TYR A 137 -11.920 -13.187 -1.004 1.00 4.37 H new ATOM 0 HH TYR A 137 -10.687 -15.411 -0.178 1.00 6.12 H new ATOM 2208 N PRO A 138 -15.190 -12.786 -5.175 1.00 1.33 N ATOM 2209 CA PRO A 138 -16.036 -12.078 -4.222 1.00 1.10 C ATOM 2210 C PRO A 138 -15.531 -12.314 -2.796 1.00 0.99 C ATOM 2211 O PRO A 138 -15.358 -13.464 -2.392 1.00 0.99 O ATOM 2212 CB PRO A 138 -17.425 -12.709 -4.417 1.00 0.97 C ATOM 2213 CG PRO A 138 -17.258 -13.784 -5.450 1.00 1.56 C ATOM 2214 CD PRO A 138 -15.784 -14.068 -5.552 1.00 1.77 C ATOM 0 HA PRO A 138 -16.043 -10.999 -4.377 1.00 1.10 H new ATOM 0 HB2 PRO A 138 -17.798 -13.124 -3.481 1.00 0.97 H new ATOM 0 HB3 PRO A 138 -18.148 -11.963 -4.746 1.00 0.97 H new ATOM 0 HG2 PRO A 138 -17.805 -14.682 -5.164 1.00 1.56 H new ATOM 0 HG3 PRO A 138 -17.656 -13.460 -6.412 1.00 1.56 H new ATOM 0 HD2 PRO A 138 -15.478 -14.871 -4.881 1.00 1.77 H new ATOM 0 HD3 PRO A 138 -15.497 -14.368 -6.560 1.00 1.77 H new ATOM 2222 N PRO A 139 -15.272 -11.238 -2.031 1.00 0.96 N ATOM 2223 CA PRO A 139 -14.555 -11.309 -0.745 1.00 0.91 C ATOM 2224 C PRO A 139 -15.122 -12.320 0.256 1.00 1.00 C ATOM 2225 O PRO A 139 -14.735 -13.495 0.260 1.00 1.25 O ATOM 2226 CB PRO A 139 -14.668 -9.887 -0.176 1.00 0.82 C ATOM 2227 CG PRO A 139 -15.727 -9.222 -0.992 1.00 0.89 C ATOM 2228 CD PRO A 139 -15.663 -9.860 -2.348 1.00 1.06 C ATOM 0 HA PRO A 139 -13.534 -11.653 -0.911 1.00 0.91 H new ATOM 0 HB2 PRO A 139 -14.938 -9.906 0.880 1.00 0.82 H new ATOM 0 HB3 PRO A 139 -13.720 -9.355 -0.253 1.00 0.82 H new ATOM 0 HG2 PRO A 139 -16.710 -9.359 -0.542 1.00 0.89 H new ATOM 0 HG3 PRO A 139 -15.553 -8.148 -1.057 1.00 0.89 H new ATOM 0 HD2 PRO A 139 -16.623 -9.818 -2.862 1.00 1.06 H new ATOM 0 HD3 PRO A 139 -14.934 -9.369 -2.994 1.00 1.06 H new ATOM 2236 N SER A 140 -16.016 -11.852 1.116 1.00 0.90 N ATOM 2237 CA SER A 140 -16.555 -12.666 2.190 1.00 1.01 C ATOM 2238 C SER A 140 -17.683 -11.915 2.884 1.00 1.01 C ATOM 2239 O SER A 140 -17.923 -10.737 2.605 1.00 1.13 O ATOM 2240 CB SER A 140 -15.436 -12.999 3.188 1.00 1.09 C ATOM 2241 OG SER A 140 -15.912 -13.743 4.301 1.00 1.60 O ATOM 0 H SER A 140 -16.385 -10.902 1.087 1.00 0.90 H new ATOM 0 HA SER A 140 -16.954 -13.596 1.784 1.00 1.01 H new ATOM 0 HB2 SER A 140 -14.656 -13.567 2.680 1.00 1.09 H new ATOM 0 HB3 SER A 140 -14.979 -12.074 3.540 1.00 1.09 H new ATOM 0 HG SER A 140 -15.151 -14.071 4.825 1.00 1.60 H new ATOM 2247 N SER A 141 -18.381 -12.603 3.768 1.00 1.07 N ATOM 2248 CA SER A 141 -19.366 -11.976 4.625 1.00 1.19 C ATOM 2249 C SER A 141 -18.692 -11.521 5.916 1.00 1.07 C ATOM 2250 O SER A 141 -19.237 -10.725 6.677 1.00 1.22 O ATOM 2251 CB SER A 141 -20.495 -12.962 4.921 1.00 1.47 C ATOM 2252 OG SER A 141 -19.972 -14.246 5.224 1.00 1.97 O ATOM 0 H SER A 141 -18.281 -13.608 3.911 1.00 1.07 H new ATOM 0 HA SER A 141 -19.793 -11.106 4.125 1.00 1.19 H new ATOM 0 HB2 SER A 141 -21.091 -12.600 5.759 1.00 1.47 H new ATOM 0 HB3 SER A 141 -21.161 -13.029 4.061 1.00 1.47 H new ATOM 0 HG SER A 141 -20.709 -14.863 5.412 1.00 1.97 H new ATOM 2258 N ASN A 142 -17.494 -12.041 6.151 1.00 0.97 N ATOM 2259 CA ASN A 142 -16.705 -11.666 7.315 1.00 0.95 C ATOM 2260 C ASN A 142 -15.670 -10.622 6.931 1.00 0.86 C ATOM 2261 O ASN A 142 -15.557 -9.576 7.575 1.00 1.07 O ATOM 2262 CB ASN A 142 -16.014 -12.891 7.920 1.00 1.01 C ATOM 2263 CG ASN A 142 -16.995 -13.856 8.553 1.00 1.37 C ATOM 2264 OD1 ASN A 142 -17.532 -14.739 7.888 1.00 2.18 O ATOM 2265 ND2 ASN A 142 -17.232 -13.699 9.846 1.00 1.73 N ATOM 0 H ASN A 142 -17.046 -12.729 5.545 1.00 0.97 H new ATOM 0 HA ASN A 142 -17.377 -11.244 8.063 1.00 0.95 H new ATOM 0 HB2 ASN A 142 -15.451 -13.408 7.143 1.00 1.01 H new ATOM 0 HB3 ASN A 142 -15.294 -12.565 8.671 1.00 1.01 H new ATOM 0 HD21 ASN A 142 -17.881 -14.324 10.325 1.00 1.73 H new ATOM 0 HD22 ASN A 142 -16.766 -12.953 10.363 1.00 1.73 H new ATOM 2272 N TYR A 143 -14.923 -10.910 5.874 1.00 0.71 N ATOM 2273 CA TYR A 143 -13.940 -9.976 5.357 1.00 0.67 C ATOM 2274 C TYR A 143 -14.620 -8.983 4.448 1.00 0.61 C ATOM 2275 O TYR A 143 -15.378 -9.354 3.552 1.00 0.67 O ATOM 2276 CB TYR A 143 -12.825 -10.694 4.592 1.00 0.76 C ATOM 2277 CG TYR A 143 -12.208 -11.861 5.334 1.00 0.84 C ATOM 2278 CD1 TYR A 143 -11.416 -11.657 6.457 1.00 0.91 C ATOM 2279 CD2 TYR A 143 -12.406 -13.164 4.899 1.00 0.97 C ATOM 2280 CE1 TYR A 143 -10.840 -12.722 7.125 1.00 1.02 C ATOM 2281 CE2 TYR A 143 -11.838 -14.231 5.562 1.00 1.09 C ATOM 2282 CZ TYR A 143 -11.056 -14.006 6.672 1.00 1.09 C ATOM 2283 OH TYR A 143 -10.485 -15.071 7.330 1.00 1.23 O ATOM 0 H TYR A 143 -14.982 -11.788 5.358 1.00 0.71 H new ATOM 0 HA TYR A 143 -13.486 -9.461 6.204 1.00 0.67 H new ATOM 0 HB2 TYR A 143 -13.225 -11.053 3.643 1.00 0.76 H new ATOM 0 HB3 TYR A 143 -12.041 -9.974 4.356 1.00 0.76 H new ATOM 0 HD1 TYR A 143 -11.248 -10.652 6.814 1.00 0.91 H new ATOM 0 HD2 TYR A 143 -13.016 -13.345 4.026 1.00 0.97 H new ATOM 0 HE1 TYR A 143 -10.225 -12.549 7.996 1.00 1.02 H new ATOM 0 HE2 TYR A 143 -12.006 -15.239 5.212 1.00 1.09 H new ATOM 0 HH TYR A 143 -10.738 -15.906 6.883 1.00 1.23 H new ATOM 2293 N ILE A 144 -14.346 -7.721 4.687 1.00 0.56 N ATOM 2294 CA ILE A 144 -14.929 -6.665 3.912 1.00 0.53 C ATOM 2295 C ILE A 144 -13.903 -6.203 2.908 1.00 0.46 C ATOM 2296 O ILE A 144 -12.840 -5.736 3.287 1.00 0.47 O ATOM 2297 CB ILE A 144 -15.372 -5.495 4.833 1.00 0.61 C ATOM 2298 CG1 ILE A 144 -15.325 -4.140 4.112 1.00 0.62 C ATOM 2299 CG2 ILE A 144 -14.512 -5.464 6.083 1.00 0.68 C ATOM 2300 CD1 ILE A 144 -16.357 -3.981 3.020 1.00 0.82 C ATOM 0 H ILE A 144 -13.714 -7.405 5.423 1.00 0.56 H new ATOM 0 HA ILE A 144 -15.818 -7.023 3.393 1.00 0.53 H new ATOM 0 HB ILE A 144 -16.410 -5.671 5.114 1.00 0.61 H new ATOM 0 HG12 ILE A 144 -15.464 -3.346 4.846 1.00 0.62 H new ATOM 0 HG13 ILE A 144 -14.333 -4.005 3.681 1.00 0.62 H new ATOM 0 HG21 ILE A 144 -14.830 -4.641 6.723 1.00 0.68 H new ATOM 0 HG22 ILE A 144 -14.620 -6.405 6.622 1.00 0.68 H new ATOM 0 HG23 ILE A 144 -13.468 -5.324 5.803 1.00 0.68 H new ATOM 0 HD11 ILE A 144 -16.254 -2.997 2.563 1.00 0.82 H new ATOM 0 HD12 ILE A 144 -16.207 -4.750 2.263 1.00 0.82 H new ATOM 0 HD13 ILE A 144 -17.355 -4.081 3.446 1.00 0.82 H new ATOM 2312 N ARG A 145 -14.172 -6.428 1.641 1.00 0.43 N ATOM 2313 CA ARG A 145 -13.344 -5.841 0.601 1.00 0.41 C ATOM 2314 C ARG A 145 -13.360 -4.336 0.794 1.00 0.45 C ATOM 2315 O ARG A 145 -14.298 -3.652 0.388 1.00 0.48 O ATOM 2316 CB ARG A 145 -13.842 -6.231 -0.802 1.00 0.44 C ATOM 2317 CG ARG A 145 -12.976 -5.710 -1.949 1.00 0.81 C ATOM 2318 CD ARG A 145 -13.403 -4.327 -2.417 1.00 2.08 C ATOM 2319 NE ARG A 145 -14.702 -4.342 -3.091 1.00 2.70 N ATOM 2320 CZ ARG A 145 -15.637 -3.407 -2.932 1.00 3.63 C ATOM 2321 NH1 ARG A 145 -15.492 -2.466 -2.007 1.00 4.14 N ATOM 2322 NH2 ARG A 145 -16.738 -3.432 -3.673 1.00 4.42 N ATOM 0 H ARG A 145 -14.944 -7.003 1.305 1.00 0.43 H new ATOM 0 HA ARG A 145 -12.324 -6.218 0.679 1.00 0.41 H new ATOM 0 HB2 ARG A 145 -13.893 -7.318 -0.867 1.00 0.44 H new ATOM 0 HB3 ARG A 145 -14.857 -5.856 -0.931 1.00 0.44 H new ATOM 0 HG2 ARG A 145 -11.935 -5.676 -1.628 1.00 0.81 H new ATOM 0 HG3 ARG A 145 -13.029 -6.406 -2.786 1.00 0.81 H new ATOM 0 HD2 ARG A 145 -13.449 -3.655 -1.560 1.00 2.08 H new ATOM 0 HD3 ARG A 145 -12.649 -3.927 -3.096 1.00 2.08 H new ATOM 0 HE ARG A 145 -14.904 -5.117 -3.722 1.00 2.70 H new ATOM 0 HH11 ARG A 145 -14.662 -2.457 -1.414 1.00 4.14 H new ATOM 0 HH12 ARG A 145 -16.211 -1.752 -1.889 1.00 4.14 H new ATOM 0 HH21 ARG A 145 -16.870 -4.169 -4.366 1.00 4.42 H new ATOM 0 HH22 ARG A 145 -17.452 -2.715 -3.549 1.00 4.42 H new ATOM 2336 N GLY A 146 -12.329 -3.834 1.452 1.00 0.62 N ATOM 2337 CA GLY A 146 -12.276 -2.432 1.764 1.00 0.79 C ATOM 2338 C GLY A 146 -12.160 -1.621 0.519 1.00 0.57 C ATOM 2339 O GLY A 146 -11.292 -1.885 -0.308 1.00 0.62 O ATOM 0 H GLY A 146 -11.528 -4.377 1.774 1.00 0.62 H new ATOM 0 HA2 GLY A 146 -13.173 -2.142 2.311 1.00 0.79 H new ATOM 0 HA3 GLY A 146 -11.426 -2.231 2.416 1.00 0.79 H new ATOM 2343 N TYR A 147 -13.013 -0.634 0.370 1.00 0.58 N ATOM 2344 CA TYR A 147 -13.006 0.122 -0.861 1.00 0.56 C ATOM 2345 C TYR A 147 -11.938 1.189 -0.827 1.00 0.54 C ATOM 2346 O TYR A 147 -12.026 2.189 -0.119 1.00 0.67 O ATOM 2347 CB TYR A 147 -14.365 0.728 -1.193 1.00 0.86 C ATOM 2348 CG TYR A 147 -14.431 1.243 -2.611 1.00 1.69 C ATOM 2349 CD1 TYR A 147 -14.465 0.358 -3.682 1.00 2.19 C ATOM 2350 CD2 TYR A 147 -14.442 2.604 -2.881 1.00 2.23 C ATOM 2351 CE1 TYR A 147 -14.509 0.817 -4.984 1.00 3.07 C ATOM 2352 CE2 TYR A 147 -14.490 3.070 -4.181 1.00 3.13 C ATOM 2353 CZ TYR A 147 -14.521 2.173 -5.227 1.00 3.51 C ATOM 2354 OH TYR A 147 -14.557 2.636 -6.522 1.00 4.44 O ATOM 0 H TYR A 147 -13.702 -0.341 1.063 1.00 0.58 H new ATOM 0 HA TYR A 147 -12.776 -0.584 -1.659 1.00 0.56 H new ATOM 0 HB2 TYR A 147 -15.141 -0.023 -1.045 1.00 0.86 H new ATOM 0 HB3 TYR A 147 -14.575 1.544 -0.502 1.00 0.86 H new ATOM 0 HD1 TYR A 147 -14.457 -0.705 -3.493 1.00 2.19 H new ATOM 0 HD2 TYR A 147 -14.413 3.309 -2.063 1.00 2.23 H new ATOM 0 HE1 TYR A 147 -14.534 0.117 -5.806 1.00 3.07 H new ATOM 0 HE2 TYR A 147 -14.503 4.132 -4.376 1.00 3.13 H new ATOM 0 HH TYR A 147 -14.562 3.616 -6.519 1.00 4.44 H new ATOM 2364 N ASN A 148 -10.912 0.912 -1.592 1.00 0.46 N ATOM 2365 CA ASN A 148 -9.784 1.781 -1.765 1.00 0.47 C ATOM 2366 C ASN A 148 -9.817 2.334 -3.181 1.00 0.45 C ATOM 2367 O ASN A 148 -9.652 1.591 -4.151 1.00 0.58 O ATOM 2368 CB ASN A 148 -8.496 0.988 -1.530 1.00 0.49 C ATOM 2369 CG ASN A 148 -7.251 1.842 -1.590 1.00 1.08 C ATOM 2370 OD1 ASN A 148 -7.263 3.012 -1.201 1.00 1.45 O ATOM 2371 ND2 ASN A 148 -6.168 1.259 -2.084 1.00 1.62 N ATOM 0 H ASN A 148 -10.840 0.047 -2.127 1.00 0.46 H new ATOM 0 HA ASN A 148 -9.820 2.605 -1.053 1.00 0.47 H new ATOM 0 HB2 ASN A 148 -8.549 0.502 -0.556 1.00 0.49 H new ATOM 0 HB3 ASN A 148 -8.423 0.197 -2.277 1.00 0.49 H new ATOM 0 HD21 ASN A 148 -5.295 1.782 -2.155 1.00 1.62 H new ATOM 0 HD22 ASN A 148 -6.208 0.288 -2.393 1.00 1.62 H new ATOM 2378 N HIS A 149 -10.083 3.627 -3.294 1.00 0.43 N ATOM 2379 CA HIS A 149 -10.063 4.318 -4.587 1.00 0.45 C ATOM 2380 C HIS A 149 -8.691 4.148 -5.218 1.00 0.40 C ATOM 2381 O HIS A 149 -7.786 3.728 -4.521 1.00 0.69 O ATOM 2382 CB HIS A 149 -10.387 5.803 -4.402 1.00 0.60 C ATOM 2383 CG HIS A 149 -11.769 6.068 -3.878 1.00 1.08 C ATOM 2384 ND1 HIS A 149 -12.342 5.769 -2.687 1.00 1.67 N flip ATOM 2385 CD2 HIS A 149 -12.735 6.722 -4.608 1.00 1.88 C flip ATOM 2386 CE1 HIS A 149 -13.629 6.244 -2.720 1.00 2.14 C flip ATOM 2387 NE2 HIS A 149 -13.839 6.814 -3.890 1.00 2.32 N flip ATOM 0 H HIS A 149 -10.317 4.227 -2.503 1.00 0.43 H new ATOM 0 HA HIS A 149 -10.819 3.886 -5.243 1.00 0.45 H new ATOM 0 HB2 HIS A 149 -9.660 6.240 -3.717 1.00 0.60 H new ATOM 0 HB3 HIS A 149 -10.269 6.312 -5.359 1.00 0.60 H new ATOM 0 HD1 HIS A 149 -11.898 5.281 -1.909 1.00 1.67 H new ATOM 0 HD2 HIS A 149 -12.610 7.101 -5.612 1.00 1.88 H new ATOM 0 HE1 HIS A 149 -14.350 6.164 -1.920 1.00 2.14 H new ATOM 2396 N PRO A 150 -8.537 4.399 -6.544 1.00 0.32 N ATOM 2397 CA PRO A 150 -7.246 4.302 -7.255 1.00 0.32 C ATOM 2398 C PRO A 150 -6.077 4.931 -6.496 1.00 0.36 C ATOM 2399 O PRO A 150 -5.637 6.042 -6.797 1.00 0.47 O ATOM 2400 CB PRO A 150 -7.481 5.075 -8.559 1.00 0.41 C ATOM 2401 CG PRO A 150 -8.871 5.627 -8.473 1.00 0.53 C ATOM 2402 CD PRO A 150 -9.603 4.774 -7.477 1.00 0.46 C ATOM 0 HA PRO A 150 -6.966 3.257 -7.391 1.00 0.32 H new ATOM 0 HB2 PRO A 150 -6.751 5.876 -8.674 1.00 0.41 H new ATOM 0 HB3 PRO A 150 -7.375 4.420 -9.424 1.00 0.41 H new ATOM 0 HG2 PRO A 150 -8.856 6.670 -8.155 1.00 0.53 H new ATOM 0 HG3 PRO A 150 -9.362 5.597 -9.446 1.00 0.53 H new ATOM 0 HD2 PRO A 150 -10.403 5.324 -6.981 1.00 0.46 H new ATOM 0 HD3 PRO A 150 -10.059 3.902 -7.946 1.00 0.46 H new ATOM 2410 N CYS A 151 -5.606 4.210 -5.508 1.00 0.38 N ATOM 2411 CA CYS A 151 -4.472 4.604 -4.709 1.00 0.48 C ATOM 2412 C CYS A 151 -3.294 3.716 -5.040 1.00 0.43 C ATOM 2413 O CYS A 151 -3.334 2.960 -6.013 1.00 0.77 O ATOM 2414 CB CYS A 151 -4.821 4.500 -3.229 1.00 0.84 C ATOM 2415 SG CYS A 151 -6.327 5.384 -2.784 1.00 1.58 S ATOM 0 H CYS A 151 -6.009 3.315 -5.231 1.00 0.38 H new ATOM 0 HA CYS A 151 -4.209 5.639 -4.930 1.00 0.48 H new ATOM 0 HB2 CYS A 151 -4.934 3.449 -2.963 1.00 0.84 H new ATOM 0 HB3 CYS A 151 -3.992 4.891 -2.640 1.00 0.84 H new ATOM 0 HG CYS A 151 -7.360 4.731 -3.227 1.00 1.58 H new ATOM 2421 N GLY A 152 -2.227 3.834 -4.281 1.00 0.34 N ATOM 2422 CA GLY A 152 -1.084 3.011 -4.554 1.00 0.39 C ATOM 2423 C GLY A 152 0.091 3.353 -3.693 1.00 0.36 C ATOM 2424 O GLY A 152 -0.061 3.942 -2.626 1.00 0.43 O ATOM 0 H GLY A 152 -2.132 4.474 -3.493 1.00 0.34 H new ATOM 0 HA2 GLY A 152 -1.349 1.965 -4.401 1.00 0.39 H new ATOM 0 HA3 GLY A 152 -0.805 3.119 -5.602 1.00 0.39 H new ATOM 2428 N PHE A 153 1.263 3.072 -4.210 1.00 0.32 N ATOM 2429 CA PHE A 153 2.464 3.002 -3.414 1.00 0.31 C ATOM 2430 C PHE A 153 3.634 3.245 -4.335 1.00 0.30 C ATOM 2431 O PHE A 153 4.073 2.344 -5.048 1.00 0.38 O ATOM 2432 CB PHE A 153 2.552 1.609 -2.770 1.00 0.36 C ATOM 2433 CG PHE A 153 3.701 1.396 -1.817 1.00 0.38 C ATOM 2434 CD1 PHE A 153 5.005 1.447 -2.277 1.00 0.49 C ATOM 2435 CD2 PHE A 153 3.482 1.180 -0.466 1.00 0.54 C ATOM 2436 CE1 PHE A 153 6.068 1.287 -1.412 1.00 0.55 C ATOM 2437 CE2 PHE A 153 4.540 1.015 0.403 1.00 0.60 C ATOM 2438 CZ PHE A 153 5.797 0.934 -0.055 1.00 0.52 C ATOM 0 H PHE A 153 1.411 2.884 -5.202 1.00 0.32 H new ATOM 0 HA PHE A 153 2.464 3.747 -2.619 1.00 0.31 H new ATOM 0 HB2 PHE A 153 1.622 1.418 -2.235 1.00 0.36 H new ATOM 0 HB3 PHE A 153 2.622 0.866 -3.565 1.00 0.36 H new ATOM 0 HD1 PHE A 153 5.193 1.614 -3.327 1.00 0.49 H new ATOM 0 HD2 PHE A 153 2.471 1.140 -0.089 1.00 0.54 H new ATOM 0 HE1 PHE A 153 7.083 1.426 -1.754 1.00 0.55 H new ATOM 0 HE2 PHE A 153 4.354 0.950 1.465 1.00 0.60 H new ATOM 0 HZ PHE A 153 6.595 0.606 0.594 1.00 0.52 H new ATOM 2448 N VAL A 154 4.117 4.464 -4.357 1.00 0.25 N ATOM 2449 CA VAL A 154 5.151 4.801 -5.289 1.00 0.25 C ATOM 2450 C VAL A 154 6.488 4.926 -4.589 1.00 0.24 C ATOM 2451 O VAL A 154 6.575 5.330 -3.429 1.00 0.31 O ATOM 2452 CB VAL A 154 4.858 6.096 -6.079 1.00 0.25 C ATOM 2453 CG1 VAL A 154 3.414 6.173 -6.541 1.00 0.27 C ATOM 2454 CG2 VAL A 154 5.235 7.333 -5.298 1.00 0.26 C ATOM 0 H VAL A 154 3.813 5.224 -3.749 1.00 0.25 H new ATOM 0 HA VAL A 154 5.185 3.982 -6.008 1.00 0.25 H new ATOM 0 HB VAL A 154 5.487 6.057 -6.968 1.00 0.25 H new ATOM 0 HG11 VAL A 154 3.257 7.101 -7.091 1.00 0.27 H new ATOM 0 HG12 VAL A 154 3.194 5.325 -7.189 1.00 0.27 H new ATOM 0 HG13 VAL A 154 2.753 6.149 -5.675 1.00 0.27 H new ATOM 0 HG21 VAL A 154 5.012 8.220 -5.891 1.00 0.26 H new ATOM 0 HG22 VAL A 154 4.665 7.365 -4.369 1.00 0.26 H new ATOM 0 HG23 VAL A 154 6.300 7.308 -5.069 1.00 0.26 H new ATOM 2464 N CYS A 155 7.518 4.550 -5.295 1.00 0.21 N ATOM 2465 CA CYS A 155 8.864 4.736 -4.829 1.00 0.23 C ATOM 2466 C CYS A 155 9.585 5.641 -5.800 1.00 0.27 C ATOM 2467 O CYS A 155 9.418 5.518 -7.004 1.00 0.42 O ATOM 2468 CB CYS A 155 9.571 3.397 -4.712 1.00 0.27 C ATOM 2469 SG CYS A 155 11.337 3.534 -4.382 1.00 1.55 S ATOM 0 H CYS A 155 7.448 4.106 -6.210 1.00 0.21 H new ATOM 0 HA CYS A 155 8.858 5.194 -3.840 1.00 0.23 H new ATOM 0 HB2 CYS A 155 9.105 2.819 -3.914 1.00 0.27 H new ATOM 0 HB3 CYS A 155 9.426 2.838 -5.636 1.00 0.27 H new ATOM 0 HG CYS A 155 11.569 4.618 -3.703 1.00 1.55 H new ATOM 2475 N SER A 156 10.360 6.561 -5.289 1.00 0.25 N ATOM 2476 CA SER A 156 11.042 7.511 -6.143 1.00 0.29 C ATOM 2477 C SER A 156 12.546 7.463 -5.915 1.00 0.30 C ATOM 2478 O SER A 156 13.029 7.811 -4.839 1.00 0.29 O ATOM 2479 CB SER A 156 10.513 8.924 -5.887 1.00 0.32 C ATOM 2480 OG SER A 156 9.095 8.951 -5.915 1.00 1.06 O ATOM 0 H SER A 156 10.537 6.677 -4.291 1.00 0.25 H new ATOM 0 HA SER A 156 10.846 7.241 -7.181 1.00 0.29 H new ATOM 0 HB2 SER A 156 10.868 9.279 -4.919 1.00 0.32 H new ATOM 0 HB3 SER A 156 10.908 9.606 -6.640 1.00 0.32 H new ATOM 0 HG SER A 156 8.780 9.841 -5.653 1.00 1.06 H new ATOM 2486 N PRO A 157 13.299 6.975 -6.909 1.00 0.36 N ATOM 2487 CA PRO A 157 14.756 7.063 -6.903 1.00 0.39 C ATOM 2488 C PRO A 157 15.217 8.486 -6.613 1.00 0.40 C ATOM 2489 O PRO A 157 14.921 9.411 -7.374 1.00 0.49 O ATOM 2490 CB PRO A 157 15.138 6.650 -8.326 1.00 0.51 C ATOM 2491 CG PRO A 157 14.034 5.755 -8.767 1.00 0.56 C ATOM 2492 CD PRO A 157 12.789 6.269 -8.098 1.00 0.45 C ATOM 0 HA PRO A 157 15.216 6.440 -6.136 1.00 0.39 H new ATOM 0 HB2 PRO A 157 15.230 7.518 -8.979 1.00 0.51 H new ATOM 0 HB3 PRO A 157 16.098 6.134 -8.345 1.00 0.51 H new ATOM 0 HG2 PRO A 157 13.929 5.771 -9.852 1.00 0.56 H new ATOM 0 HG3 PRO A 157 14.232 4.722 -8.481 1.00 0.56 H new ATOM 0 HD2 PRO A 157 12.230 6.938 -8.752 1.00 0.45 H new ATOM 0 HD3 PRO A 157 12.117 5.456 -7.824 1.00 0.45 H new ATOM 2500 N MET A 158 15.932 8.662 -5.508 1.00 0.37 N ATOM 2501 CA MET A 158 16.339 9.996 -5.075 1.00 0.43 C ATOM 2502 C MET A 158 17.535 10.490 -5.856 1.00 0.48 C ATOM 2503 O MET A 158 17.859 9.965 -6.921 1.00 0.49 O ATOM 2504 CB MET A 158 16.701 10.008 -3.598 1.00 0.43 C ATOM 2505 CG MET A 158 15.509 9.947 -2.673 1.00 0.50 C ATOM 2506 SD MET A 158 14.350 11.307 -2.925 1.00 0.95 S ATOM 2507 CE MET A 158 15.373 12.718 -2.508 1.00 1.16 C ATOM 0 H MET A 158 16.241 7.905 -4.898 1.00 0.37 H new ATOM 0 HA MET A 158 15.488 10.652 -5.254 1.00 0.43 H new ATOM 0 HB2 MET A 158 17.355 9.162 -3.388 1.00 0.43 H new ATOM 0 HB3 MET A 158 17.270 10.912 -3.381 1.00 0.43 H new ATOM 0 HG2 MET A 158 14.988 9.001 -2.822 1.00 0.50 H new ATOM 0 HG3 MET A 158 15.857 9.960 -1.640 1.00 0.50 H new ATOM 0 HE1 MET A 158 14.740 13.589 -2.339 1.00 1.16 H new ATOM 0 HE2 MET A 158 15.941 12.501 -1.603 1.00 1.16 H new ATOM 0 HE3 MET A 158 16.061 12.923 -3.328 1.00 1.16 H new ATOM 2517 N GLU A 159 18.199 11.503 -5.328 1.00 0.57 N ATOM 2518 CA GLU A 159 19.444 11.937 -5.903 1.00 0.62 C ATOM 2519 C GLU A 159 20.528 10.940 -5.523 1.00 0.54 C ATOM 2520 O GLU A 159 21.414 10.611 -6.311 1.00 0.59 O ATOM 2521 CB GLU A 159 19.807 13.346 -5.430 1.00 0.76 C ATOM 2522 CG GLU A 159 18.702 14.366 -5.660 1.00 1.38 C ATOM 2523 CD GLU A 159 18.279 14.446 -7.111 1.00 1.87 C ATOM 2524 OE1 GLU A 159 19.002 15.074 -7.914 1.00 2.63 O ATOM 2525 OE2 GLU A 159 17.229 13.872 -7.463 1.00 2.09 O ATOM 0 H GLU A 159 17.895 12.031 -4.510 1.00 0.57 H new ATOM 0 HA GLU A 159 19.348 11.978 -6.988 1.00 0.62 H new ATOM 0 HB2 GLU A 159 20.045 13.314 -4.367 1.00 0.76 H new ATOM 0 HB3 GLU A 159 20.708 13.674 -5.949 1.00 0.76 H new ATOM 0 HG2 GLU A 159 17.839 14.106 -5.047 1.00 1.38 H new ATOM 0 HG3 GLU A 159 19.043 15.347 -5.330 1.00 1.38 H new ATOM 2532 N GLU A 160 20.396 10.434 -4.310 1.00 0.52 N ATOM 2533 CA GLU A 160 21.246 9.378 -3.783 1.00 0.55 C ATOM 2534 C GLU A 160 20.536 8.046 -3.966 1.00 0.58 C ATOM 2535 O GLU A 160 20.716 7.123 -3.180 1.00 0.76 O ATOM 2536 CB GLU A 160 21.484 9.622 -2.305 1.00 0.63 C ATOM 2537 CG GLU A 160 22.058 10.994 -2.000 1.00 0.77 C ATOM 2538 CD GLU A 160 21.777 11.436 -0.581 1.00 1.32 C ATOM 2539 OE1 GLU A 160 20.620 11.811 -0.293 1.00 2.05 O ATOM 2540 OE2 GLU A 160 22.705 11.424 0.252 1.00 1.61 O ATOM 0 H GLU A 160 19.684 10.750 -3.652 1.00 0.52 H new ATOM 0 HA GLU A 160 22.201 9.366 -4.308 1.00 0.55 H new ATOM 0 HB2 GLU A 160 20.542 9.504 -1.770 1.00 0.63 H new ATOM 0 HB3 GLU A 160 22.164 8.860 -1.924 1.00 0.63 H new ATOM 0 HG2 GLU A 160 23.135 10.979 -2.166 1.00 0.77 H new ATOM 0 HG3 GLU A 160 21.639 11.722 -2.694 1.00 0.77 H new ATOM 2547 N ASN A 161 19.714 7.998 -5.007 1.00 0.51 N ATOM 2548 CA ASN A 161 18.747 6.918 -5.258 1.00 0.65 C ATOM 2549 C ASN A 161 19.174 5.504 -4.828 1.00 0.53 C ATOM 2550 O ASN A 161 18.372 4.818 -4.200 1.00 0.53 O ATOM 2551 CB ASN A 161 18.263 6.919 -6.725 1.00 0.92 C ATOM 2552 CG ASN A 161 19.360 6.827 -7.771 1.00 1.07 C ATOM 2553 OD1 ASN A 161 19.571 5.636 -8.310 1.00 1.93 O flip ATOM 2554 ND2 ASN A 161 19.978 7.832 -8.128 1.00 1.62 N flip ATOM 0 H ASN A 161 19.695 8.724 -5.723 1.00 0.51 H new ATOM 0 HA ASN A 161 17.919 7.164 -4.593 1.00 0.65 H new ATOM 0 HB2 ASN A 161 17.579 6.082 -6.865 1.00 0.92 H new ATOM 0 HB3 ASN A 161 17.692 7.830 -6.901 1.00 0.92 H new ATOM 0 HD21 ASN A 161 19.786 8.732 -7.688 1.00 1.62 H new ATOM 0 HD22 ASN A 161 20.681 7.764 -8.864 1.00 1.62 H new ATOM 2561 N PRO A 162 20.392 5.005 -5.134 1.00 0.55 N ATOM 2562 CA PRO A 162 20.732 3.632 -4.779 1.00 0.57 C ATOM 2563 C PRO A 162 20.993 3.447 -3.281 1.00 0.55 C ATOM 2564 O PRO A 162 20.977 2.326 -2.772 1.00 0.63 O ATOM 2565 CB PRO A 162 22.004 3.360 -5.578 1.00 0.71 C ATOM 2566 CG PRO A 162 22.635 4.697 -5.726 1.00 0.73 C ATOM 2567 CD PRO A 162 21.494 5.665 -5.860 1.00 0.67 C ATOM 0 HA PRO A 162 19.913 2.949 -5.003 1.00 0.57 H new ATOM 0 HB2 PRO A 162 22.661 2.665 -5.056 1.00 0.71 H new ATOM 0 HB3 PRO A 162 21.778 2.917 -6.548 1.00 0.71 H new ATOM 0 HG2 PRO A 162 23.254 4.937 -4.862 1.00 0.73 H new ATOM 0 HG3 PRO A 162 23.283 4.731 -6.602 1.00 0.73 H new ATOM 0 HD2 PRO A 162 21.737 6.634 -5.425 1.00 0.67 H new ATOM 0 HD3 PRO A 162 21.238 5.840 -6.905 1.00 0.67 H new ATOM 2575 N ALA A 163 21.241 4.550 -2.590 1.00 0.53 N ATOM 2576 CA ALA A 163 21.541 4.520 -1.165 1.00 0.59 C ATOM 2577 C ALA A 163 20.384 5.095 -0.355 1.00 0.53 C ATOM 2578 O ALA A 163 20.215 4.775 0.820 1.00 0.58 O ATOM 2579 CB ALA A 163 22.817 5.294 -0.886 1.00 0.68 C ATOM 0 H ALA A 163 21.240 5.485 -2.997 1.00 0.53 H new ATOM 0 HA ALA A 163 21.683 3.482 -0.864 1.00 0.59 H new ATOM 0 HB1 ALA A 163 23.033 5.266 0.182 1.00 0.68 H new ATOM 0 HB2 ALA A 163 23.643 4.843 -1.436 1.00 0.68 H new ATOM 0 HB3 ALA A 163 22.692 6.329 -1.204 1.00 0.68 H new ATOM 2585 N TYR A 164 19.613 5.963 -0.988 1.00 0.45 N ATOM 2586 CA TYR A 164 18.430 6.551 -0.377 1.00 0.40 C ATOM 2587 C TYR A 164 17.305 6.596 -1.394 1.00 0.32 C ATOM 2588 O TYR A 164 17.464 7.156 -2.480 1.00 0.38 O ATOM 2589 CB TYR A 164 18.714 7.968 0.131 1.00 0.46 C ATOM 2590 CG TYR A 164 19.598 8.028 1.356 1.00 0.56 C ATOM 2591 CD1 TYR A 164 19.063 7.848 2.626 1.00 0.61 C ATOM 2592 CD2 TYR A 164 20.961 8.272 1.247 1.00 0.67 C ATOM 2593 CE1 TYR A 164 19.861 7.907 3.750 1.00 0.73 C ATOM 2594 CE2 TYR A 164 21.765 8.334 2.369 1.00 0.78 C ATOM 2595 CZ TYR A 164 21.209 8.150 3.617 1.00 0.79 C ATOM 2596 OH TYR A 164 22.005 8.212 4.736 1.00 0.93 O ATOM 0 H TYR A 164 19.789 6.281 -1.941 1.00 0.45 H new ATOM 0 HA TYR A 164 18.142 5.933 0.474 1.00 0.40 H new ATOM 0 HB2 TYR A 164 19.184 8.540 -0.669 1.00 0.46 H new ATOM 0 HB3 TYR A 164 17.766 8.456 0.358 1.00 0.46 H new ATOM 0 HD1 TYR A 164 18.005 7.659 2.735 1.00 0.61 H new ATOM 0 HD2 TYR A 164 21.399 8.415 0.270 1.00 0.67 H new ATOM 0 HE1 TYR A 164 19.430 7.763 4.730 1.00 0.73 H new ATOM 0 HE2 TYR A 164 22.823 8.526 2.269 1.00 0.78 H new ATOM 0 HH TYR A 164 22.931 8.390 4.469 1.00 0.93 H new ATOM 2606 N SER A 165 16.171 6.016 -1.055 1.00 0.26 N ATOM 2607 CA SER A 165 15.057 5.971 -1.980 1.00 0.24 C ATOM 2608 C SER A 165 13.799 6.548 -1.352 1.00 0.23 C ATOM 2609 O SER A 165 13.539 6.364 -0.165 1.00 0.26 O ATOM 2610 CB SER A 165 14.829 4.539 -2.448 1.00 0.30 C ATOM 2611 OG SER A 165 14.969 3.631 -1.376 1.00 1.41 O ATOM 0 H SER A 165 15.997 5.573 -0.153 1.00 0.26 H new ATOM 0 HA SER A 165 15.299 6.587 -2.846 1.00 0.24 H new ATOM 0 HB2 SER A 165 13.832 4.447 -2.880 1.00 0.30 H new ATOM 0 HB3 SER A 165 15.541 4.291 -3.235 1.00 0.30 H new ATOM 0 HG SER A 165 15.913 3.572 -1.118 1.00 1.41 H new ATOM 2617 N LYS A 166 13.028 7.256 -2.151 1.00 0.24 N ATOM 2618 CA LYS A 166 11.850 7.937 -1.660 1.00 0.26 C ATOM 2619 C LYS A 166 10.623 7.031 -1.701 1.00 0.28 C ATOM 2620 O LYS A 166 10.230 6.533 -2.743 1.00 0.43 O ATOM 2621 CB LYS A 166 11.641 9.229 -2.462 1.00 0.36 C ATOM 2622 CG LYS A 166 10.215 9.762 -2.467 1.00 0.32 C ATOM 2623 CD LYS A 166 9.700 10.038 -1.065 1.00 0.37 C ATOM 2624 CE LYS A 166 10.566 11.047 -0.330 1.00 0.47 C ATOM 2625 NZ LYS A 166 10.567 12.373 -1.002 1.00 0.74 N ATOM 0 H LYS A 166 13.198 7.375 -3.150 1.00 0.24 H new ATOM 0 HA LYS A 166 11.998 8.200 -0.613 1.00 0.26 H new ATOM 0 HB2 LYS A 166 12.299 9.999 -2.059 1.00 0.36 H new ATOM 0 HB3 LYS A 166 11.950 9.053 -3.492 1.00 0.36 H new ATOM 0 HG2 LYS A 166 10.174 10.679 -3.054 1.00 0.32 H new ATOM 0 HG3 LYS A 166 9.561 9.040 -2.957 1.00 0.32 H new ATOM 0 HD2 LYS A 166 8.677 10.411 -1.121 1.00 0.37 H new ATOM 0 HD3 LYS A 166 9.669 9.106 -0.500 1.00 0.37 H new ATOM 0 HE2 LYS A 166 10.205 11.159 0.692 1.00 0.47 H new ATOM 0 HE3 LYS A 166 11.587 10.671 -0.268 1.00 0.47 H new ATOM 0 HZ1 LYS A 166 11.026 13.074 -0.386 1.00 0.74 H new ATOM 0 HZ2 LYS A 166 11.088 12.307 -1.900 1.00 0.74 H new ATOM 0 HZ3 LYS A 166 9.588 12.667 -1.191 1.00 0.74 H new ATOM 2639 N LEU A 167 10.054 6.805 -0.538 1.00 0.20 N ATOM 2640 CA LEU A 167 8.842 6.030 -0.389 1.00 0.21 C ATOM 2641 C LEU A 167 7.645 6.960 -0.188 1.00 0.20 C ATOM 2642 O LEU A 167 7.596 7.701 0.793 1.00 0.24 O ATOM 2643 CB LEU A 167 9.005 5.128 0.831 1.00 0.23 C ATOM 2644 CG LEU A 167 8.234 3.812 0.804 1.00 0.24 C ATOM 2645 CD1 LEU A 167 6.741 4.047 0.694 1.00 0.27 C ATOM 2646 CD2 LEU A 167 8.738 2.948 -0.341 1.00 0.25 C ATOM 0 H LEU A 167 10.425 7.159 0.343 1.00 0.20 H new ATOM 0 HA LEU A 167 8.667 5.432 -1.284 1.00 0.21 H new ATOM 0 HB2 LEU A 167 10.065 4.902 0.951 1.00 0.23 H new ATOM 0 HB3 LEU A 167 8.697 5.687 1.714 1.00 0.23 H new ATOM 0 HG LEU A 167 8.407 3.289 1.745 1.00 0.24 H new ATOM 0 HD11 LEU A 167 6.222 3.089 0.677 1.00 0.27 H new ATOM 0 HD12 LEU A 167 6.400 4.629 1.550 1.00 0.27 H new ATOM 0 HD13 LEU A 167 6.525 4.592 -0.225 1.00 0.27 H new ATOM 0 HD21 LEU A 167 8.186 2.008 -0.358 1.00 0.25 H new ATOM 0 HD22 LEU A 167 8.591 3.473 -1.285 1.00 0.25 H new ATOM 0 HD23 LEU A 167 9.799 2.742 -0.202 1.00 0.25 H new ATOM 2658 N VAL A 168 6.693 6.937 -1.112 1.00 0.19 N ATOM 2659 CA VAL A 168 5.485 7.763 -0.969 1.00 0.20 C ATOM 2660 C VAL A 168 4.208 7.026 -1.436 1.00 0.23 C ATOM 2661 O VAL A 168 4.127 6.526 -2.556 1.00 0.28 O ATOM 2662 CB VAL A 168 5.680 9.139 -1.675 1.00 0.20 C ATOM 2663 CG1 VAL A 168 6.642 9.027 -2.843 1.00 0.21 C ATOM 2664 CG2 VAL A 168 4.366 9.742 -2.134 1.00 0.26 C ATOM 0 H VAL A 168 6.725 6.368 -1.958 1.00 0.19 H new ATOM 0 HA VAL A 168 5.334 7.957 0.093 1.00 0.20 H new ATOM 0 HB VAL A 168 6.109 9.810 -0.931 1.00 0.20 H new ATOM 0 HG11 VAL A 168 6.757 10.003 -3.315 1.00 0.21 H new ATOM 0 HG12 VAL A 168 7.611 8.681 -2.484 1.00 0.21 H new ATOM 0 HG13 VAL A 168 6.250 8.316 -3.571 1.00 0.21 H new ATOM 0 HG21 VAL A 168 4.555 10.699 -2.620 1.00 0.26 H new ATOM 0 HG22 VAL A 168 3.882 9.066 -2.840 1.00 0.26 H new ATOM 0 HG23 VAL A 168 3.715 9.894 -1.273 1.00 0.26 H new ATOM 2674 N MET A 169 3.204 6.977 -0.554 1.00 0.29 N ATOM 2675 CA MET A 169 2.011 6.145 -0.744 1.00 0.32 C ATOM 2676 C MET A 169 0.769 6.832 -0.172 1.00 0.34 C ATOM 2677 O MET A 169 0.862 7.530 0.824 1.00 0.45 O ATOM 2678 CB MET A 169 2.214 4.800 -0.024 1.00 0.35 C ATOM 2679 CG MET A 169 0.942 3.975 0.120 1.00 0.40 C ATOM 2680 SD MET A 169 1.125 2.577 1.240 1.00 0.74 S ATOM 2681 CE MET A 169 -0.490 1.817 1.085 1.00 1.24 C ATOM 0 H MET A 169 3.196 7.514 0.313 1.00 0.29 H new ATOM 0 HA MET A 169 1.864 5.988 -1.813 1.00 0.32 H new ATOM 0 HB2 MET A 169 2.954 4.215 -0.571 1.00 0.35 H new ATOM 0 HB3 MET A 169 2.626 4.989 0.967 1.00 0.35 H new ATOM 0 HG2 MET A 169 0.139 4.618 0.480 1.00 0.40 H new ATOM 0 HG3 MET A 169 0.641 3.609 -0.862 1.00 0.40 H new ATOM 0 HE1 MET A 169 -0.493 0.859 1.606 1.00 1.24 H new ATOM 0 HE2 MET A 169 -1.244 2.471 1.524 1.00 1.24 H new ATOM 0 HE3 MET A 169 -0.717 1.657 0.031 1.00 1.24 H new ATOM 2691 N PHE A 170 -0.394 6.643 -0.802 1.00 0.36 N ATOM 2692 CA PHE A 170 -1.647 7.118 -0.203 1.00 0.42 C ATOM 2693 C PHE A 170 -2.760 6.104 -0.327 1.00 0.37 C ATOM 2694 O PHE A 170 -2.708 5.186 -1.161 1.00 0.38 O ATOM 2695 CB PHE A 170 -2.147 8.452 -0.779 1.00 0.69 C ATOM 2696 CG PHE A 170 -2.852 8.393 -2.113 1.00 1.26 C ATOM 2697 CD1 PHE A 170 -4.196 8.097 -2.190 1.00 2.02 C ATOM 2698 CD2 PHE A 170 -2.154 8.590 -3.294 1.00 1.74 C ATOM 2699 CE1 PHE A 170 -4.832 8.007 -3.407 1.00 3.07 C ATOM 2700 CE2 PHE A 170 -2.787 8.496 -4.518 1.00 2.73 C ATOM 2701 CZ PHE A 170 -4.172 8.361 -4.558 1.00 3.37 C ATOM 0 H PHE A 170 -0.496 6.177 -1.704 1.00 0.36 H new ATOM 0 HA PHE A 170 -1.394 7.272 0.846 1.00 0.42 H new ATOM 0 HB2 PHE A 170 -2.826 8.902 -0.055 1.00 0.69 H new ATOM 0 HB3 PHE A 170 -1.293 9.123 -0.875 1.00 0.69 H new ATOM 0 HD1 PHE A 170 -4.758 7.933 -1.282 1.00 2.02 H new ATOM 0 HD2 PHE A 170 -1.100 8.820 -3.257 1.00 1.74 H new ATOM 0 HE1 PHE A 170 -5.853 7.657 -3.457 1.00 3.07 H new ATOM 0 HE2 PHE A 170 -2.214 8.527 -5.433 1.00 2.73 H new ATOM 0 HZ PHE A 170 -4.716 8.531 -5.475 1.00 3.37 H new ATOM 2711 N VAL A 171 -3.779 6.328 0.499 1.00 0.43 N ATOM 2712 CA VAL A 171 -5.015 5.560 0.460 1.00 0.50 C ATOM 2713 C VAL A 171 -6.218 6.481 0.590 1.00 0.49 C ATOM 2714 O VAL A 171 -6.178 7.479 1.316 1.00 0.50 O ATOM 2715 CB VAL A 171 -5.108 4.504 1.584 1.00 0.66 C ATOM 2716 CG1 VAL A 171 -4.363 3.236 1.210 1.00 1.28 C ATOM 2717 CG2 VAL A 171 -4.595 5.067 2.900 1.00 1.40 C ATOM 0 H VAL A 171 -3.768 7.052 1.217 1.00 0.43 H new ATOM 0 HA VAL A 171 -5.012 5.045 -0.501 1.00 0.50 H new ATOM 0 HB VAL A 171 -6.159 4.246 1.712 1.00 0.66 H new ATOM 0 HG11 VAL A 171 -4.447 2.512 2.021 1.00 1.28 H new ATOM 0 HG12 VAL A 171 -4.794 2.815 0.302 1.00 1.28 H new ATOM 0 HG13 VAL A 171 -3.312 3.469 1.039 1.00 1.28 H new ATOM 0 HG21 VAL A 171 -4.671 4.305 3.676 1.00 1.40 H new ATOM 0 HG22 VAL A 171 -3.553 5.367 2.786 1.00 1.40 H new ATOM 0 HG23 VAL A 171 -5.193 5.933 3.183 1.00 1.40 H new ATOM 2727 N GLN A 172 -7.275 6.141 -0.123 1.00 0.57 N ATOM 2728 CA GLN A 172 -8.552 6.813 0.014 1.00 0.65 C ATOM 2729 C GLN A 172 -9.556 5.766 0.429 1.00 0.65 C ATOM 2730 O GLN A 172 -10.570 5.534 -0.232 1.00 0.95 O ATOM 2731 CB GLN A 172 -8.986 7.478 -1.292 1.00 0.80 C ATOM 2732 CG GLN A 172 -10.076 8.522 -1.093 1.00 1.01 C ATOM 2733 CD GLN A 172 -10.510 9.199 -2.382 1.00 1.54 C ATOM 2734 OE1 GLN A 172 -9.601 9.319 -3.336 1.00 2.17 O flip ATOM 2735 NE2 GLN A 172 -11.658 9.613 -2.515 1.00 2.15 N flip ATOM 0 H GLN A 172 -7.272 5.391 -0.814 1.00 0.57 H new ATOM 0 HA GLN A 172 -8.477 7.608 0.756 1.00 0.65 H new ATOM 0 HB2 GLN A 172 -8.121 7.948 -1.759 1.00 0.80 H new ATOM 0 HB3 GLN A 172 -9.344 6.713 -1.981 1.00 0.80 H new ATOM 0 HG2 GLN A 172 -10.942 8.048 -0.632 1.00 1.01 H new ATOM 0 HG3 GLN A 172 -9.719 9.280 -0.396 1.00 1.01 H new ATOM 0 HE21 GLN A 172 -12.331 9.502 -1.757 1.00 2.15 H new ATOM 0 HE22 GLN A 172 -11.939 10.068 -3.384 1.00 2.15 H new ATOM 2744 N THR A 173 -9.214 5.103 1.510 1.00 0.59 N ATOM 2745 CA THR A 173 -9.976 3.973 1.999 1.00 0.66 C ATOM 2746 C THR A 173 -11.381 4.409 2.419 1.00 0.75 C ATOM 2747 O THR A 173 -11.556 5.502 2.953 1.00 1.01 O ATOM 2748 CB THR A 173 -9.270 3.332 3.205 1.00 0.93 C ATOM 2749 OG1 THR A 173 -7.850 3.447 3.056 1.00 1.65 O ATOM 2750 CG2 THR A 173 -9.641 1.864 3.320 1.00 1.12 C ATOM 0 H THR A 173 -8.398 5.331 2.077 1.00 0.59 H new ATOM 0 HA THR A 173 -10.051 3.246 1.190 1.00 0.66 H new ATOM 0 HB THR A 173 -9.590 3.853 4.107 1.00 0.93 H new ATOM 0 HG1 THR A 173 -7.406 2.787 3.629 1.00 1.65 H new ATOM 0 HG21 THR A 173 -9.132 1.426 4.179 1.00 1.12 H new ATOM 0 HG22 THR A 173 -10.719 1.770 3.450 1.00 1.12 H new ATOM 0 HG23 THR A 173 -9.338 1.340 2.413 1.00 1.12 H new ATOM 2758 N GLU A 174 -12.377 3.552 2.197 1.00 0.69 N ATOM 2759 CA GLU A 174 -13.746 3.880 2.591 1.00 0.87 C ATOM 2760 C GLU A 174 -13.960 3.590 4.071 1.00 0.99 C ATOM 2761 O GLU A 174 -15.053 3.812 4.597 1.00 1.32 O ATOM 2762 CB GLU A 174 -14.757 3.061 1.795 1.00 0.97 C ATOM 2763 CG GLU A 174 -14.822 1.606 2.236 1.00 1.10 C ATOM 2764 CD GLU A 174 -16.001 0.856 1.659 1.00 1.80 C ATOM 2765 OE1 GLU A 174 -17.099 1.439 1.604 1.00 2.45 O ATOM 2766 OE2 GLU A 174 -15.833 -0.314 1.255 1.00 2.30 O ATOM 0 H GLU A 174 -12.265 2.640 1.754 1.00 0.69 H new ATOM 0 HA GLU A 174 -13.894 4.941 2.390 1.00 0.87 H new ATOM 0 HB2 GLU A 174 -15.744 3.511 1.900 1.00 0.97 H new ATOM 0 HB3 GLU A 174 -14.498 3.103 0.737 1.00 0.97 H new ATOM 0 HG2 GLU A 174 -13.901 1.103 1.941 1.00 1.10 H new ATOM 0 HG3 GLU A 174 -14.872 1.566 3.324 1.00 1.10 H new ATOM 2898 N ILE A 183 -10.428 6.249 15.517 1.00 1.04 N ATOM 2899 CA ILE A 183 -10.023 4.892 15.164 1.00 0.90 C ATOM 2900 C ILE A 183 -9.249 4.937 13.871 1.00 0.79 C ATOM 2901 O ILE A 183 -8.277 4.225 13.662 1.00 0.69 O ATOM 2902 CB ILE A 183 -11.240 3.982 14.946 1.00 0.96 C ATOM 2903 CG1 ILE A 183 -12.279 4.201 16.041 1.00 1.09 C ATOM 2904 CG2 ILE A 183 -10.812 2.523 14.888 1.00 0.92 C ATOM 2905 CD1 ILE A 183 -11.798 3.850 17.435 1.00 1.12 C ATOM 0 HA ILE A 183 -9.422 4.496 15.982 1.00 0.90 H new ATOM 0 HB ILE A 183 -11.697 4.241 13.991 1.00 0.96 H new ATOM 0 HG12 ILE A 183 -12.589 5.246 16.028 1.00 1.09 H new ATOM 0 HG13 ILE A 183 -13.162 3.604 15.813 1.00 1.09 H new ATOM 0 HG21 ILE A 183 -11.688 1.893 14.733 1.00 0.92 H new ATOM 0 HG22 ILE A 183 -10.113 2.381 14.064 1.00 0.92 H new ATOM 0 HG23 ILE A 183 -10.329 2.248 15.825 1.00 0.92 H new ATOM 0 HD11 ILE A 183 -12.597 4.035 18.153 1.00 1.12 H new ATOM 0 HD12 ILE A 183 -11.516 2.798 17.468 1.00 1.12 H new ATOM 0 HD13 ILE A 183 -10.934 4.465 17.687 1.00 1.12 H new ATOM 2917 N ILE A 184 -9.721 5.810 13.021 1.00 0.87 N ATOM 2918 CA ILE A 184 -9.214 5.983 11.695 1.00 0.83 C ATOM 2919 C ILE A 184 -7.869 6.684 11.710 1.00 0.81 C ATOM 2920 O ILE A 184 -7.005 6.408 10.885 1.00 0.75 O ATOM 2921 CB ILE A 184 -10.232 6.755 10.838 1.00 0.96 C ATOM 2922 CG1 ILE A 184 -11.289 5.807 10.292 1.00 0.98 C ATOM 2923 CG2 ILE A 184 -9.559 7.510 9.695 1.00 1.00 C ATOM 2924 CD1 ILE A 184 -12.631 5.967 10.952 1.00 1.13 C ATOM 0 H ILE A 184 -10.493 6.438 13.244 1.00 0.87 H new ATOM 0 HA ILE A 184 -9.063 4.999 11.251 1.00 0.83 H new ATOM 0 HB ILE A 184 -10.709 7.493 11.483 1.00 0.96 H new ATOM 0 HG12 ILE A 184 -11.397 5.973 9.220 1.00 0.98 H new ATOM 0 HG13 ILE A 184 -10.948 4.780 10.423 1.00 0.98 H new ATOM 0 HG21 ILE A 184 -10.314 8.041 9.115 1.00 1.00 H new ATOM 0 HG22 ILE A 184 -8.845 8.225 10.102 1.00 1.00 H new ATOM 0 HG23 ILE A 184 -9.037 6.803 9.050 1.00 1.00 H new ATOM 0 HD11 ILE A 184 -13.338 5.261 10.515 1.00 1.13 H new ATOM 0 HD12 ILE A 184 -12.537 5.772 12.020 1.00 1.13 H new ATOM 0 HD13 ILE A 184 -12.993 6.984 10.799 1.00 1.13 H new ATOM 2936 N GLU A 185 -7.690 7.572 12.667 1.00 0.91 N ATOM 2937 CA GLU A 185 -6.394 8.206 12.869 1.00 0.99 C ATOM 2938 C GLU A 185 -5.392 7.147 13.309 1.00 0.91 C ATOM 2939 O GLU A 185 -4.179 7.308 13.157 1.00 0.99 O ATOM 2940 CB GLU A 185 -6.473 9.333 13.905 1.00 1.17 C ATOM 2941 CG GLU A 185 -6.909 8.871 15.283 1.00 1.58 C ATOM 2942 CD GLU A 185 -6.818 9.965 16.326 1.00 2.26 C ATOM 2943 OE1 GLU A 185 -7.742 10.801 16.405 1.00 2.89 O ATOM 2944 OE2 GLU A 185 -5.822 9.990 17.081 1.00 2.46 O ATOM 0 H GLU A 185 -8.418 7.872 13.316 1.00 0.91 H new ATOM 0 HA GLU A 185 -6.072 8.656 11.930 1.00 0.99 H new ATOM 0 HB2 GLU A 185 -5.496 9.810 13.984 1.00 1.17 H new ATOM 0 HB3 GLU A 185 -7.170 10.092 13.550 1.00 1.17 H new ATOM 0 HG2 GLU A 185 -7.936 8.509 15.232 1.00 1.58 H new ATOM 0 HG3 GLU A 185 -6.289 8.029 15.592 1.00 1.58 H new ATOM 2951 N LYS A 186 -5.913 6.051 13.845 1.00 0.82 N ATOM 2952 CA LYS A 186 -5.085 4.938 14.236 1.00 0.79 C ATOM 2953 C LYS A 186 -4.981 3.943 13.097 1.00 0.70 C ATOM 2954 O LYS A 186 -4.017 3.188 13.018 1.00 0.86 O ATOM 2955 CB LYS A 186 -5.636 4.265 15.493 1.00 0.80 C ATOM 2956 CG LYS A 186 -5.777 5.227 16.655 1.00 1.27 C ATOM 2957 CD LYS A 186 -6.229 4.533 17.931 1.00 1.28 C ATOM 2958 CE LYS A 186 -7.656 4.029 17.819 1.00 0.96 C ATOM 2959 NZ LYS A 186 -8.228 3.684 19.144 1.00 1.09 N ATOM 0 H LYS A 186 -6.910 5.917 14.016 1.00 0.82 H new ATOM 0 HA LYS A 186 -4.087 5.312 14.467 1.00 0.79 H new ATOM 0 HB2 LYS A 186 -6.608 3.826 15.269 1.00 0.80 H new ATOM 0 HB3 LYS A 186 -4.976 3.447 15.782 1.00 0.80 H new ATOM 0 HG2 LYS A 186 -4.822 5.721 16.832 1.00 1.27 H new ATOM 0 HG3 LYS A 186 -6.494 6.005 16.394 1.00 1.27 H new ATOM 0 HD2 LYS A 186 -5.563 3.697 18.146 1.00 1.28 H new ATOM 0 HD3 LYS A 186 -6.152 5.226 18.769 1.00 1.28 H new ATOM 0 HE2 LYS A 186 -8.274 4.791 17.345 1.00 0.96 H new ATOM 0 HE3 LYS A 186 -7.681 3.151 17.173 1.00 0.96 H new ATOM 0 HZ1 LYS A 186 -9.203 3.344 19.023 1.00 1.09 H new ATOM 0 HZ2 LYS A 186 -7.654 2.938 19.586 1.00 1.09 H new ATOM 0 HZ3 LYS A 186 -8.228 4.528 19.752 1.00 1.09 H new ATOM 2973 N THR A 187 -5.973 3.937 12.207 1.00 0.59 N ATOM 2974 CA THR A 187 -5.947 2.981 11.113 1.00 0.54 C ATOM 2975 C THR A 187 -5.248 3.535 9.851 1.00 0.50 C ATOM 2976 O THR A 187 -4.385 2.869 9.302 1.00 0.53 O ATOM 2977 CB THR A 187 -7.359 2.429 10.790 1.00 0.58 C ATOM 2978 OG1 THR A 187 -7.244 1.211 10.042 1.00 0.62 O ATOM 2979 CG2 THR A 187 -8.199 3.414 10.000 1.00 0.60 C ATOM 0 H THR A 187 -6.778 4.563 12.222 1.00 0.59 H new ATOM 0 HA THR A 187 -5.342 2.143 11.458 1.00 0.54 H new ATOM 0 HB THR A 187 -7.858 2.251 11.742 1.00 0.58 H new ATOM 0 HG1 THR A 187 -8.086 1.034 9.574 1.00 0.62 H new ATOM 0 HG21 THR A 187 -9.178 2.979 9.800 1.00 0.60 H new ATOM 0 HG22 THR A 187 -8.321 4.332 10.575 1.00 0.60 H new ATOM 0 HG23 THR A 187 -7.703 3.640 9.056 1.00 0.60 H new ATOM 2987 N MET A 188 -5.575 4.747 9.400 1.00 0.52 N ATOM 2988 CA MET A 188 -4.992 5.253 8.148 1.00 0.53 C ATOM 2989 C MET A 188 -3.577 5.809 8.344 1.00 0.54 C ATOM 2990 O MET A 188 -2.615 5.176 7.919 1.00 0.54 O ATOM 2991 CB MET A 188 -5.874 6.316 7.481 1.00 0.62 C ATOM 2992 CG MET A 188 -6.713 5.837 6.297 1.00 0.80 C ATOM 2993 SD MET A 188 -7.983 4.629 6.726 1.00 1.06 S ATOM 2994 CE MET A 188 -7.032 3.115 6.700 1.00 0.83 C ATOM 0 H MET A 188 -6.222 5.384 9.865 1.00 0.52 H new ATOM 0 HA MET A 188 -4.933 4.388 7.487 1.00 0.53 H new ATOM 0 HB2 MET A 188 -6.545 6.729 8.234 1.00 0.62 H new ATOM 0 HB3 MET A 188 -5.235 7.131 7.143 1.00 0.62 H new ATOM 0 HG2 MET A 188 -7.191 6.700 5.833 1.00 0.80 H new ATOM 0 HG3 MET A 188 -6.050 5.400 5.550 1.00 0.80 H new ATOM 0 HE1 MET A 188 -7.685 2.279 6.449 1.00 0.83 H new ATOM 0 HE2 MET A 188 -6.242 3.195 5.954 1.00 0.83 H new ATOM 0 HE3 MET A 188 -6.589 2.947 7.681 1.00 0.83 H new ATOM 3004 N PRO A 189 -3.399 6.976 9.012 1.00 0.60 N ATOM 3005 CA PRO A 189 -2.088 7.630 9.067 1.00 0.71 C ATOM 3006 C PRO A 189 -1.090 6.835 9.886 1.00 0.74 C ATOM 3007 O PRO A 189 0.120 6.953 9.703 1.00 0.91 O ATOM 3008 CB PRO A 189 -2.375 8.980 9.726 1.00 0.84 C ATOM 3009 CG PRO A 189 -3.615 8.765 10.518 1.00 0.83 C ATOM 3010 CD PRO A 189 -4.415 7.726 9.779 1.00 0.63 C ATOM 0 HA PRO A 189 -1.639 7.723 8.078 1.00 0.71 H new ATOM 0 HB2 PRO A 189 -1.548 9.292 10.364 1.00 0.84 H new ATOM 0 HB3 PRO A 189 -2.514 9.762 8.980 1.00 0.84 H new ATOM 0 HG2 PRO A 189 -3.378 8.428 11.527 1.00 0.83 H new ATOM 0 HG3 PRO A 189 -4.179 9.692 10.616 1.00 0.83 H new ATOM 0 HD2 PRO A 189 -4.957 7.076 10.466 1.00 0.63 H new ATOM 0 HD3 PRO A 189 -5.155 8.184 9.122 1.00 0.63 H new ATOM 3018 N SER A 190 -1.608 6.004 10.772 1.00 0.66 N ATOM 3019 CA SER A 190 -0.768 5.193 11.624 1.00 0.76 C ATOM 3020 C SER A 190 -0.340 3.922 10.905 1.00 0.72 C ATOM 3021 O SER A 190 0.689 3.332 11.232 1.00 0.90 O ATOM 3022 CB SER A 190 -1.497 4.863 12.923 1.00 0.84 C ATOM 3023 OG SER A 190 -1.769 6.046 13.663 1.00 1.50 O ATOM 0 H SER A 190 -2.609 5.875 10.918 1.00 0.66 H new ATOM 0 HA SER A 190 0.131 5.760 11.867 1.00 0.76 H new ATOM 0 HB2 SER A 190 -2.430 4.345 12.700 1.00 0.84 H new ATOM 0 HB3 SER A 190 -0.891 4.184 13.523 1.00 0.84 H new ATOM 0 HG SER A 190 -2.621 6.429 13.366 1.00 1.50 H new ATOM 3029 N ASN A 191 -1.120 3.503 9.915 1.00 0.57 N ATOM 3030 CA ASN A 191 -0.766 2.319 9.149 1.00 0.61 C ATOM 3031 C ASN A 191 0.097 2.688 7.949 1.00 0.51 C ATOM 3032 O ASN A 191 0.878 1.875 7.474 1.00 0.52 O ATOM 3033 CB ASN A 191 -2.014 1.576 8.684 1.00 0.70 C ATOM 3034 CG ASN A 191 -1.741 0.129 8.331 1.00 1.08 C ATOM 3035 OD1 ASN A 191 -0.821 -0.492 8.861 1.00 1.88 O ATOM 3036 ND2 ASN A 191 -2.559 -0.425 7.451 1.00 1.46 N ATOM 0 H ASN A 191 -1.987 3.958 9.629 1.00 0.57 H new ATOM 0 HA ASN A 191 -0.194 1.661 9.803 1.00 0.61 H new ATOM 0 HB2 ASN A 191 -2.769 1.617 9.469 1.00 0.70 H new ATOM 0 HB3 ASN A 191 -2.431 2.084 7.815 1.00 0.70 H new ATOM 0 HD21 ASN A 191 -2.439 -1.403 7.189 1.00 1.46 H new ATOM 0 HD22 ASN A 191 -3.310 0.126 7.035 1.00 1.46 H new ATOM 3043 N LEU A 192 -0.022 3.925 7.466 1.00 0.45 N ATOM 3044 CA LEU A 192 0.747 4.354 6.307 1.00 0.42 C ATOM 3045 C LEU A 192 2.225 4.456 6.641 1.00 0.36 C ATOM 3046 O LEU A 192 3.073 3.949 5.907 1.00 0.35 O ATOM 3047 CB LEU A 192 0.236 5.690 5.782 1.00 0.48 C ATOM 3048 CG LEU A 192 -1.205 5.678 5.279 1.00 0.62 C ATOM 3049 CD1 LEU A 192 -1.462 6.900 4.428 1.00 1.04 C ATOM 3050 CD2 LEU A 192 -1.498 4.404 4.497 1.00 1.09 C ATOM 0 H LEU A 192 -0.638 4.638 7.857 1.00 0.45 H new ATOM 0 HA LEU A 192 0.620 3.602 5.529 1.00 0.42 H new ATOM 0 HB2 LEU A 192 0.321 6.432 6.576 1.00 0.48 H new ATOM 0 HB3 LEU A 192 0.886 6.016 4.970 1.00 0.48 H new ATOM 0 HG LEU A 192 -1.875 5.701 6.139 1.00 0.62 H new ATOM 0 HD11 LEU A 192 -2.492 6.885 4.072 1.00 1.04 H new ATOM 0 HD12 LEU A 192 -1.296 7.799 5.022 1.00 1.04 H new ATOM 0 HD13 LEU A 192 -0.783 6.899 3.575 1.00 1.04 H new ATOM 0 HD21 LEU A 192 -2.531 4.420 4.150 1.00 1.09 H new ATOM 0 HD22 LEU A 192 -0.828 4.341 3.640 1.00 1.09 H new ATOM 0 HD23 LEU A 192 -1.345 3.538 5.141 1.00 1.09 H new ATOM 3062 N VAL A 193 2.537 5.101 7.755 1.00 0.36 N ATOM 3063 CA VAL A 193 3.921 5.166 8.205 1.00 0.36 C ATOM 3064 C VAL A 193 4.398 3.788 8.633 1.00 0.39 C ATOM 3065 O VAL A 193 5.590 3.503 8.626 1.00 0.42 O ATOM 3066 CB VAL A 193 4.145 6.170 9.355 1.00 0.44 C ATOM 3067 CG1 VAL A 193 4.150 7.589 8.827 1.00 0.68 C ATOM 3068 CG2 VAL A 193 3.096 6.026 10.445 1.00 0.59 C ATOM 0 H VAL A 193 1.865 5.579 8.355 1.00 0.36 H new ATOM 0 HA VAL A 193 4.502 5.522 7.355 1.00 0.36 H new ATOM 0 HB VAL A 193 5.117 5.946 9.795 1.00 0.44 H new ATOM 0 HG11 VAL A 193 4.309 8.284 9.652 1.00 0.68 H new ATOM 0 HG12 VAL A 193 4.951 7.703 8.097 1.00 0.68 H new ATOM 0 HG13 VAL A 193 3.193 7.804 8.351 1.00 0.68 H new ATOM 0 HG21 VAL A 193 3.291 6.751 11.235 1.00 0.59 H new ATOM 0 HG22 VAL A 193 2.107 6.205 10.024 1.00 0.59 H new ATOM 0 HG23 VAL A 193 3.137 5.018 10.859 1.00 0.59 H new ATOM 3078 N ASN A 194 3.450 2.933 8.986 1.00 0.43 N ATOM 3079 CA ASN A 194 3.755 1.559 9.340 1.00 0.48 C ATOM 3080 C ASN A 194 4.037 0.733 8.101 1.00 0.45 C ATOM 3081 O ASN A 194 4.819 -0.201 8.157 1.00 0.49 O ATOM 3082 CB ASN A 194 2.623 0.932 10.148 1.00 0.58 C ATOM 3083 CG ASN A 194 3.007 0.702 11.595 1.00 1.28 C ATOM 3084 OD1 ASN A 194 4.165 0.432 11.912 1.00 1.80 O ATOM 3085 ND2 ASN A 194 2.041 0.815 12.484 1.00 2.07 N ATOM 0 H ASN A 194 2.459 3.170 9.034 1.00 0.43 H new ATOM 0 HA ASN A 194 4.650 1.570 9.962 1.00 0.48 H new ATOM 0 HB2 ASN A 194 1.747 1.580 10.106 1.00 0.58 H new ATOM 0 HB3 ASN A 194 2.339 -0.018 9.695 1.00 0.58 H new ATOM 0 HD21 ASN A 194 2.241 0.677 13.475 1.00 2.07 H new ATOM 0 HD22 ASN A 194 1.093 1.040 12.181 1.00 2.07 H new ATOM 3092 N PHE A 195 3.402 1.077 6.987 1.00 0.44 N ATOM 3093 CA PHE A 195 3.733 0.460 5.710 1.00 0.44 C ATOM 3094 C PHE A 195 5.134 0.871 5.288 1.00 0.36 C ATOM 3095 O PHE A 195 5.846 0.115 4.631 1.00 0.36 O ATOM 3096 CB PHE A 195 2.728 0.839 4.618 1.00 0.47 C ATOM 3097 CG PHE A 195 1.426 0.094 4.696 1.00 0.73 C ATOM 3098 CD1 PHE A 195 1.410 -1.275 4.909 1.00 1.06 C ATOM 3099 CD2 PHE A 195 0.218 0.765 4.578 1.00 1.51 C ATOM 3100 CE1 PHE A 195 0.214 -1.961 4.997 1.00 1.43 C ATOM 3101 CE2 PHE A 195 -0.981 0.083 4.666 1.00 2.00 C ATOM 3102 CZ PHE A 195 -0.982 -1.290 4.803 1.00 1.76 C ATOM 0 H PHE A 195 2.660 1.775 6.942 1.00 0.44 H new ATOM 0 HA PHE A 195 3.689 -0.621 5.841 1.00 0.44 H new ATOM 0 HB2 PHE A 195 2.526 1.908 4.680 1.00 0.47 H new ATOM 0 HB3 PHE A 195 3.181 0.656 3.643 1.00 0.47 H new ATOM 0 HD1 PHE A 195 2.342 -1.811 5.007 1.00 1.06 H new ATOM 0 HD2 PHE A 195 0.214 1.833 4.415 1.00 1.51 H new ATOM 0 HE1 PHE A 195 0.212 -3.018 5.217 1.00 1.43 H new ATOM 0 HE2 PHE A 195 -1.915 0.624 4.628 1.00 2.00 H new ATOM 0 HZ PHE A 195 -1.911 -1.839 4.759 1.00 1.76 H new ATOM 3112 N ILE A 196 5.530 2.076 5.674 1.00 0.31 N ATOM 3113 CA ILE A 196 6.880 2.537 5.427 1.00 0.27 C ATOM 3114 C ILE A 196 7.849 1.918 6.425 1.00 0.28 C ATOM 3115 O ILE A 196 9.014 1.703 6.120 1.00 0.28 O ATOM 3116 CB ILE A 196 6.966 4.067 5.483 1.00 0.25 C ATOM 3117 CG1 ILE A 196 6.238 4.662 4.280 1.00 0.25 C ATOM 3118 CG2 ILE A 196 8.417 4.514 5.525 1.00 0.29 C ATOM 3119 CD1 ILE A 196 6.220 6.167 4.271 1.00 0.26 C ATOM 0 H ILE A 196 4.934 2.747 6.158 1.00 0.31 H new ATOM 0 HA ILE A 196 7.159 2.219 4.422 1.00 0.27 H new ATOM 0 HB ILE A 196 6.484 4.425 6.393 1.00 0.25 H new ATOM 0 HG12 ILE A 196 6.714 4.307 3.366 1.00 0.25 H new ATOM 0 HG13 ILE A 196 5.212 4.295 4.269 1.00 0.25 H new ATOM 0 HG21 ILE A 196 8.461 5.602 5.565 1.00 0.29 H new ATOM 0 HG22 ILE A 196 8.900 4.099 6.409 1.00 0.29 H new ATOM 0 HG23 ILE A 196 8.932 4.162 4.631 1.00 0.29 H new ATOM 0 HD11 ILE A 196 5.686 6.519 3.388 1.00 0.26 H new ATOM 0 HD12 ILE A 196 5.718 6.530 5.168 1.00 0.26 H new ATOM 0 HD13 ILE A 196 7.243 6.543 4.251 1.00 0.26 H new ATOM 3131 N LEU A 197 7.366 1.629 7.616 1.00 0.33 N ATOM 3132 CA LEU A 197 8.158 0.903 8.592 1.00 0.37 C ATOM 3133 C LEU A 197 8.289 -0.525 8.164 1.00 0.36 C ATOM 3134 O LEU A 197 9.329 -1.148 8.328 1.00 0.38 O ATOM 3135 CB LEU A 197 7.523 0.965 9.969 1.00 0.50 C ATOM 3136 CG LEU A 197 7.621 2.316 10.635 1.00 0.52 C ATOM 3137 CD1 LEU A 197 6.953 2.267 11.993 1.00 1.00 C ATOM 3138 CD2 LEU A 197 9.085 2.704 10.745 1.00 1.03 C ATOM 0 H LEU A 197 6.431 1.884 7.933 1.00 0.33 H new ATOM 0 HA LEU A 197 9.143 1.367 8.649 1.00 0.37 H new ATOM 0 HB2 LEU A 197 6.472 0.689 9.885 1.00 0.50 H new ATOM 0 HB3 LEU A 197 7.997 0.221 10.609 1.00 0.50 H new ATOM 0 HG LEU A 197 7.106 3.071 10.041 1.00 0.52 H new ATOM 0 HD11 LEU A 197 7.026 3.244 12.470 1.00 1.00 H new ATOM 0 HD12 LEU A 197 5.903 2.000 11.873 1.00 1.00 H new ATOM 0 HD13 LEU A 197 7.448 1.522 12.615 1.00 1.00 H new ATOM 0 HD21 LEU A 197 9.168 3.679 11.225 1.00 1.03 H new ATOM 0 HD22 LEU A 197 9.615 1.960 11.340 1.00 1.03 H new ATOM 0 HD23 LEU A 197 9.525 2.751 9.749 1.00 1.03 H new ATOM 3150 N ASN A 198 7.208 -1.030 7.631 1.00 0.38 N ATOM 3151 CA ASN A 198 7.227 -2.283 6.923 1.00 0.43 C ATOM 3152 C ASN A 198 8.271 -2.220 5.835 1.00 0.31 C ATOM 3153 O ASN A 198 8.954 -3.182 5.562 1.00 0.32 O ATOM 3154 CB ASN A 198 5.858 -2.582 6.322 1.00 0.65 C ATOM 3155 CG ASN A 198 4.942 -3.274 7.306 1.00 1.05 C ATOM 3156 OD1 ASN A 198 3.740 -3.036 7.323 1.00 1.90 O ATOM 3157 ND2 ASN A 198 5.505 -4.151 8.128 1.00 1.61 N ATOM 0 H ASN A 198 6.291 -0.586 7.675 1.00 0.38 H new ATOM 0 HA ASN A 198 7.472 -3.084 7.620 1.00 0.43 H new ATOM 0 HB2 ASN A 198 5.397 -1.651 5.991 1.00 0.65 H new ATOM 0 HB3 ASN A 198 5.980 -3.209 5.439 1.00 0.65 H new ATOM 0 HD21 ASN A 198 4.933 -4.655 8.805 1.00 1.61 H new ATOM 0 HD22 ASN A 198 6.510 -4.321 8.082 1.00 1.61 H new ATOM 3164 N ALA A 199 8.430 -1.065 5.239 1.00 0.29 N ATOM 3165 CA ALA A 199 9.412 -0.908 4.212 1.00 0.25 C ATOM 3166 C ALA A 199 10.799 -0.829 4.815 1.00 0.23 C ATOM 3167 O ALA A 199 11.724 -1.459 4.325 1.00 0.26 O ATOM 3168 CB ALA A 199 9.080 0.316 3.419 1.00 0.26 C ATOM 0 H ALA A 199 7.891 -0.226 5.451 1.00 0.29 H new ATOM 0 HA ALA A 199 9.404 -1.771 3.547 1.00 0.25 H new ATOM 0 HB1 ALA A 199 9.820 0.451 2.630 1.00 0.26 H new ATOM 0 HB2 ALA A 199 8.092 0.204 2.974 1.00 0.26 H new ATOM 0 HB3 ALA A 199 9.086 1.187 4.074 1.00 0.26 H new ATOM 3174 N LYS A 200 10.930 -0.066 5.891 1.00 0.26 N ATOM 3175 CA LYS A 200 12.178 0.003 6.638 1.00 0.29 C ATOM 3176 C LYS A 200 12.611 -1.386 7.088 1.00 0.31 C ATOM 3177 O LYS A 200 13.777 -1.751 6.985 1.00 0.36 O ATOM 3178 CB LYS A 200 12.001 0.868 7.879 1.00 0.34 C ATOM 3179 CG LYS A 200 11.615 2.316 7.601 1.00 0.57 C ATOM 3180 CD LYS A 200 12.638 3.021 6.723 1.00 0.54 C ATOM 3181 CE LYS A 200 12.482 4.533 6.789 1.00 0.64 C ATOM 3182 NZ LYS A 200 12.765 5.058 8.150 1.00 0.97 N ATOM 0 H LYS A 200 10.183 0.517 6.268 1.00 0.26 H new ATOM 0 HA LYS A 200 12.935 0.433 5.982 1.00 0.29 H new ATOM 0 HB2 LYS A 200 11.236 0.418 8.512 1.00 0.34 H new ATOM 0 HB3 LYS A 200 12.931 0.858 8.447 1.00 0.34 H new ATOM 0 HG2 LYS A 200 10.640 2.344 7.115 1.00 0.57 H new ATOM 0 HG3 LYS A 200 11.516 2.852 8.545 1.00 0.57 H new ATOM 0 HD2 LYS A 200 13.643 2.744 7.040 1.00 0.54 H new ATOM 0 HD3 LYS A 200 12.525 2.687 5.691 1.00 0.54 H new ATOM 0 HE2 LYS A 200 13.157 5.000 6.072 1.00 0.64 H new ATOM 0 HE3 LYS A 200 11.468 4.807 6.497 1.00 0.64 H new ATOM 0 HZ1 LYS A 200 13.048 6.057 8.085 1.00 0.97 H new ATOM 0 HZ2 LYS A 200 11.911 4.978 8.738 1.00 0.97 H new ATOM 0 HZ3 LYS A 200 13.535 4.507 8.581 1.00 0.97 H new ATOM 3196 N ASP A 201 11.655 -2.147 7.589 1.00 0.30 N ATOM 3197 CA ASP A 201 11.939 -3.461 8.170 1.00 0.33 C ATOM 3198 C ASP A 201 11.971 -4.539 7.109 1.00 0.31 C ATOM 3199 O ASP A 201 12.831 -5.407 7.132 1.00 0.36 O ATOM 3200 CB ASP A 201 10.904 -3.821 9.238 1.00 0.40 C ATOM 3201 CG ASP A 201 11.131 -5.204 9.819 1.00 1.10 C ATOM 3202 OD1 ASP A 201 12.046 -5.358 10.652 1.00 1.18 O ATOM 3203 OD2 ASP A 201 10.392 -6.143 9.445 1.00 1.94 O ATOM 0 H ASP A 201 10.670 -1.883 7.608 1.00 0.30 H new ATOM 0 HA ASP A 201 12.924 -3.402 8.634 1.00 0.33 H new ATOM 0 HB2 ASP A 201 10.940 -3.083 10.039 1.00 0.40 H new ATOM 0 HB3 ASP A 201 9.905 -3.771 8.804 1.00 0.40 H new ATOM 3208 N GLY A 202 11.044 -4.468 6.174 1.00 0.31 N ATOM 3209 CA GLY A 202 10.987 -5.445 5.099 1.00 0.37 C ATOM 3210 C GLY A 202 12.164 -5.311 4.168 1.00 0.37 C ATOM 3211 O GLY A 202 12.579 -6.279 3.535 1.00 0.47 O ATOM 0 H GLY A 202 10.322 -3.748 6.135 1.00 0.31 H new ATOM 0 HA2 GLY A 202 10.968 -6.450 5.520 1.00 0.37 H new ATOM 0 HA3 GLY A 202 10.061 -5.317 4.538 1.00 0.37 H new ATOM 3215 N ILE A 203 12.694 -4.101 4.078 1.00 0.30 N ATOM 3216 CA ILE A 203 13.874 -3.842 3.283 1.00 0.37 C ATOM 3217 C ILE A 203 15.086 -4.450 3.969 1.00 0.47 C ATOM 3218 O ILE A 203 16.016 -4.904 3.313 1.00 0.61 O ATOM 3219 CB ILE A 203 14.095 -2.328 3.058 1.00 0.32 C ATOM 3220 CG1 ILE A 203 14.728 -2.078 1.715 1.00 0.41 C ATOM 3221 CG2 ILE A 203 14.970 -1.705 4.117 1.00 0.38 C ATOM 3222 CD1 ILE A 203 13.760 -2.158 0.582 1.00 0.52 C ATOM 0 H ILE A 203 12.318 -3.280 4.552 1.00 0.30 H new ATOM 0 HA ILE A 203 13.731 -4.299 2.304 1.00 0.37 H new ATOM 0 HB ILE A 203 13.108 -1.868 3.109 1.00 0.32 H new ATOM 0 HG12 ILE A 203 15.192 -1.092 1.718 1.00 0.41 H new ATOM 0 HG13 ILE A 203 15.524 -2.805 1.555 1.00 0.41 H new ATOM 0 HG21 ILE A 203 15.091 -0.642 3.909 1.00 0.38 H new ATOM 0 HG22 ILE A 203 14.505 -1.833 5.095 1.00 0.38 H new ATOM 0 HG23 ILE A 203 15.947 -2.189 4.113 1.00 0.38 H new ATOM 0 HD11 ILE A 203 14.281 -1.968 -0.356 1.00 0.52 H new ATOM 0 HD12 ILE A 203 13.314 -3.152 0.554 1.00 0.52 H new ATOM 0 HD13 ILE A 203 12.977 -1.412 0.719 1.00 0.52 H new ATOM 3234 N LYS A 204 15.045 -4.487 5.299 1.00 0.47 N ATOM 3235 CA LYS A 204 16.100 -5.114 6.070 1.00 0.63 C ATOM 3236 C LYS A 204 15.816 -6.597 6.156 1.00 0.64 C ATOM 3237 O LYS A 204 16.698 -7.402 6.340 1.00 0.78 O ATOM 3238 CB LYS A 204 16.214 -4.522 7.468 1.00 0.74 C ATOM 3239 CG LYS A 204 16.443 -3.024 7.490 1.00 1.21 C ATOM 3240 CD LYS A 204 16.719 -2.548 8.901 1.00 1.55 C ATOM 3241 CE LYS A 204 16.931 -1.043 8.965 1.00 2.41 C ATOM 3242 NZ LYS A 204 15.749 -0.292 8.465 1.00 3.37 N ATOM 0 H LYS A 204 14.291 -4.089 5.859 1.00 0.47 H new ATOM 0 HA LYS A 204 17.051 -4.934 5.569 1.00 0.63 H new ATOM 0 HB2 LYS A 204 15.302 -4.747 8.022 1.00 0.74 H new ATOM 0 HB3 LYS A 204 17.035 -5.012 7.992 1.00 0.74 H new ATOM 0 HG2 LYS A 204 17.283 -2.769 6.844 1.00 1.21 H new ATOM 0 HG3 LYS A 204 15.568 -2.511 7.092 1.00 1.21 H new ATOM 0 HD2 LYS A 204 15.885 -2.824 9.546 1.00 1.55 H new ATOM 0 HD3 LYS A 204 17.603 -3.055 9.288 1.00 1.55 H new ATOM 0 HE2 LYS A 204 17.138 -0.750 9.994 1.00 2.41 H new ATOM 0 HE3 LYS A 204 17.807 -0.775 8.375 1.00 2.41 H new ATOM 0 HZ1 LYS A 204 16.016 0.255 7.622 1.00 3.37 H new ATOM 0 HZ2 LYS A 204 14.992 -0.961 8.218 1.00 3.37 H new ATOM 0 HZ3 LYS A 204 15.411 0.356 9.205 1.00 3.37 H new ATOM 3256 N ALA A 205 14.557 -6.943 6.028 1.00 0.57 N ATOM 3257 CA ALA A 205 14.162 -8.329 5.885 1.00 0.69 C ATOM 3258 C ALA A 205 14.637 -8.862 4.540 1.00 0.87 C ATOM 3259 O ALA A 205 14.815 -10.065 4.356 1.00 1.02 O ATOM 3260 CB ALA A 205 12.656 -8.458 6.019 1.00 0.68 C ATOM 0 H ALA A 205 13.782 -6.280 6.020 1.00 0.57 H new ATOM 0 HA ALA A 205 14.625 -8.921 6.675 1.00 0.69 H new ATOM 0 HB1 ALA A 205 12.369 -9.504 5.910 1.00 0.68 H new ATOM 0 HB2 ALA A 205 12.346 -8.097 7.000 1.00 0.68 H new ATOM 0 HB3 ALA A 205 12.170 -7.866 5.244 1.00 0.68 H new