USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 70 GLN : amide:sc= 0.594 K(o=0.39,f=-0.34) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.205 K(o=0.39,f=-0.34) USER MOD Set 2.1: A 43 HIS : no HE2:sc= 1.01 K(o=0.86,f=-3.3!) USER MOD Set 2.2: A 47 CYS SG : rot 180:sc= -0.148 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= -0.0163 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.313 K(o=-0.31,f=-5.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 14 CYS SG : rot 129:sc= 0.101 USER MOD Single : A 18 MET CE :methyl 158:sc= -0.336 (180deg=-2.68) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.672 K(o=0.67,f=-3.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 40 GLN : amide:sc= 0.188 K(o=0.19,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 46 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 58 CYS SG : rot 170:sc= -0.058 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.11) USER MOD Single : A 62 TYR OH : rot -90:sc= 0.485 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.277 K(o=-0.28,f=-3.1!) USER MOD Single : A 67 GLN : amide:sc= -0.109 K(o=-0.11,f=-3.1!) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -0.0866 (180deg=-0.406) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -33:sc= 0.495 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0.695 (180deg=0.656) USER MOD Single : A 83 THR OG1 : rot 170:sc= 0.353 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0.54 K(o=0.54,f=-3.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=-0.27) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= -0.0158 (180deg=-0.543) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -13.534 -8.662 -3.338 1.00 13.12 N ATOM 60 CA LEU A 6 -13.218 -9.221 -2.022 1.00 4.11 C ATOM 61 C LEU A 6 -14.493 -9.778 -1.397 1.00 45.43 C ATOM 62 O LEU A 6 -15.476 -9.045 -1.254 1.00 60.30 O ATOM 63 CB LEU A 6 -12.594 -8.141 -1.108 1.00 72.24 C ATOM 64 CG LEU A 6 -11.060 -8.036 -1.194 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.558 -7.859 -2.620 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.519 -6.860 -0.379 1.00 61.12 C ATOM 0 HA LEU A 6 -12.490 -10.024 -2.137 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.026 -7.174 -1.364 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.873 -8.352 -0.076 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.698 -8.982 -0.791 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.470 -7.791 -2.617 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.867 -8.713 -3.223 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.977 -6.946 -3.043 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.433 -6.824 -0.468 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.945 -5.930 -0.755 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.793 -6.987 0.668 1.00 61.12 H new ATOM 78 N ASP A 7 -14.455 -11.054 -1.012 1.00 75.13 N ATOM 79 CA ASP A 7 -15.483 -11.726 -0.209 1.00 1.34 C ATOM 80 C ASP A 7 -15.628 -11.030 1.143 1.00 50.11 C ATOM 81 O ASP A 7 -14.687 -10.380 1.604 1.00 25.20 O ATOM 82 CB ASP A 7 -15.069 -13.177 0.085 1.00 22.15 C ATOM 83 CG ASP A 7 -15.559 -14.197 -0.933 1.00 51.25 C ATOM 84 OD1 ASP A 7 -15.617 -13.892 -2.144 1.00 12.54 O ATOM 85 OD2 ASP A 7 -15.848 -15.334 -0.498 1.00 3.35 O1- ATOM 0 H ASP A 7 -13.681 -11.672 -1.258 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.415 -11.694 -0.773 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -13.981 -13.227 0.135 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.446 -13.456 1.069 1.00 22.15 H new ATOM 90 N GLN A 8 -16.740 -11.260 1.851 1.00 35.03 N ATOM 91 CA GLN A 8 -16.981 -10.693 3.181 1.00 31.00 C ATOM 92 C GLN A 8 -15.867 -11.024 4.187 1.00 15.44 C ATOM 93 O GLN A 8 -15.671 -10.269 5.148 1.00 42.40 O ATOM 94 CB GLN A 8 -18.364 -11.145 3.700 1.00 11.40 C ATOM 95 CG GLN A 8 -18.537 -12.629 4.070 1.00 73.15 C ATOM 96 CD GLN A 8 -18.246 -12.935 5.544 1.00 5.35 C ATOM 97 OE1 GLN A 8 -17.102 -13.026 5.966 1.00 73.41 O ATOM 98 NE2 GLN A 8 -19.249 -13.102 6.387 1.00 23.44 N ATOM 0 H GLN A 8 -17.502 -11.849 1.514 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.974 -9.608 3.080 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.603 -10.549 4.581 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -19.105 -10.900 2.939 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.557 -12.935 3.839 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -17.875 -13.229 3.446 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.211 -13.030 6.056 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -19.062 -13.303 7.369 1.00 23.44 H new ATOM 107 N LYS A 9 -15.176 -12.149 3.972 1.00 54.03 N ATOM 108 CA LYS A 9 -14.095 -12.651 4.799 1.00 31.31 C ATOM 109 C LYS A 9 -12.833 -11.874 4.450 1.00 71.23 C ATOM 110 O LYS A 9 -12.315 -11.142 5.286 1.00 2.24 O ATOM 111 CB LYS A 9 -13.954 -14.173 4.577 1.00 54.31 C ATOM 112 CG LYS A 9 -13.263 -14.858 5.753 1.00 72.00 C ATOM 113 CD LYS A 9 -13.246 -16.382 5.557 1.00 23.34 C ATOM 114 CE LYS A 9 -13.164 -17.068 6.919 1.00 1.24 C ATOM 115 NZ LYS A 9 -13.201 -18.543 6.821 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.372 -12.756 3.176 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.292 -12.506 5.861 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -14.941 -14.611 4.430 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -13.385 -14.356 3.665 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -12.243 -14.487 5.849 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -13.780 -14.611 6.680 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.145 -16.702 5.030 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -12.395 -16.671 4.940 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -12.244 -16.765 7.419 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -13.992 -16.729 7.542 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -13.142 -18.956 7.774 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.090 -18.839 6.370 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -12.397 -18.873 6.250 1.00 21.22 H new ATOM 129 N THR A 10 -12.388 -11.969 3.199 1.00 74.25 N ATOM 130 CA THR A 10 -11.210 -11.344 2.614 1.00 13.54 C ATOM 131 C THR A 10 -11.152 -9.837 2.916 1.00 52.52 C ATOM 132 O THR A 10 -10.109 -9.310 3.311 1.00 61.23 O ATOM 133 CB THR A 10 -11.272 -11.673 1.112 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.556 -13.053 0.962 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.976 -11.396 0.359 1.00 21.15 C ATOM 0 H THR A 10 -12.887 -12.534 2.512 1.00 74.25 H new ATOM 0 HA THR A 10 -10.285 -11.728 3.045 1.00 13.54 H new ATOM 0 HB THR A 10 -12.043 -11.027 0.692 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.600 -13.276 0.009 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.104 -11.654 -0.692 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.724 -10.339 0.445 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.172 -11.996 0.785 1.00 21.15 H new ATOM 143 N PHE A 11 -12.290 -9.156 2.766 1.00 2.31 N ATOM 144 CA PHE A 11 -12.488 -7.745 3.083 1.00 54.43 C ATOM 145 C PHE A 11 -12.194 -7.445 4.559 1.00 2.41 C ATOM 146 O PHE A 11 -11.665 -6.390 4.897 1.00 32.02 O ATOM 147 CB PHE A 11 -13.923 -7.358 2.691 1.00 25.32 C ATOM 148 CG PHE A 11 -14.121 -5.941 2.190 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.764 -4.835 2.983 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.702 -5.727 0.924 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.981 -3.528 2.515 1.00 72.32 C ATOM 152 CE2 PHE A 11 -14.924 -4.419 0.457 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.566 -3.320 1.255 1.00 65.24 C ATOM 0 H PHE A 11 -13.136 -9.596 2.403 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.782 -7.141 2.513 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.264 -8.046 1.917 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.567 -7.508 3.557 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.321 -4.991 3.956 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -14.978 -6.571 0.310 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -13.698 -2.683 3.125 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -15.369 -4.260 -0.514 1.00 20.31 H new ATOM 0 HZ PHE A 11 -14.740 -2.315 0.900 1.00 65.24 H new ATOM 163 N SER A 12 -12.526 -8.361 5.462 1.00 52.41 N ATOM 164 CA SER A 12 -12.173 -8.241 6.864 1.00 3.30 C ATOM 165 C SER A 12 -10.690 -8.553 7.103 1.00 51.11 C ATOM 166 O SER A 12 -10.064 -7.929 7.962 1.00 3.04 O ATOM 167 CB SER A 12 -13.088 -9.111 7.716 1.00 34.53 C ATOM 168 OG SER A 12 -13.195 -8.519 8.994 1.00 33.32 O ATOM 0 H SER A 12 -13.049 -9.208 5.238 1.00 52.41 H new ATOM 0 HA SER A 12 -12.321 -7.205 7.168 1.00 3.30 H new ATOM 0 HB2 SER A 12 -14.071 -9.196 7.253 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.685 -10.121 7.797 1.00 34.53 H new ATOM 0 HG SER A 12 -13.782 -9.064 9.559 1.00 33.32 H new ATOM 174 N ILE A 13 -10.091 -9.468 6.333 1.00 45.32 N ATOM 175 CA ILE A 13 -8.677 -9.798 6.498 1.00 14.50 C ATOM 176 C ILE A 13 -7.828 -8.562 6.192 1.00 34.12 C ATOM 177 O ILE A 13 -6.913 -8.253 6.958 1.00 34.35 O ATOM 178 CB ILE A 13 -8.250 -11.003 5.637 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.165 -12.241 5.745 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.803 -11.411 5.969 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.634 -12.612 7.150 1.00 3.22 C ATOM 0 H ILE A 13 -10.563 -9.989 5.594 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.516 -10.097 7.534 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.335 -10.655 4.608 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -10.044 -12.072 5.124 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -8.636 -13.096 5.323 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.515 -12.263 5.353 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.134 -10.575 5.767 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.735 -11.684 7.022 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.269 -13.496 7.100 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -8.769 -12.822 7.779 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -10.199 -11.783 7.576 1.00 3.22 H new ATOM 193 N CYS A 14 -8.125 -7.826 5.111 1.00 42.43 N ATOM 194 CA CYS A 14 -7.422 -6.559 4.903 1.00 71.02 C ATOM 195 C CYS A 14 -7.548 -5.547 6.049 1.00 75.44 C ATOM 196 O CYS A 14 -6.507 -5.036 6.469 1.00 53.24 O ATOM 197 CB CYS A 14 -7.640 -5.928 3.528 1.00 61.45 C ATOM 198 SG CYS A 14 -9.358 -5.995 2.983 1.00 44.54 S ATOM 0 H CYS A 14 -8.814 -8.072 4.400 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.376 -6.866 4.918 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.314 -4.888 3.556 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.013 -6.439 2.797 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.743 -4.809 2.616 1.00 44.54 H new ATOM 204 N LYS A 15 -8.749 -5.245 6.562 1.00 61.20 N ATOM 205 CA LYS A 15 -8.859 -4.347 7.731 1.00 71.41 C ATOM 206 C LYS A 15 -8.098 -4.842 8.953 1.00 64.32 C ATOM 207 O LYS A 15 -7.475 -4.014 9.616 1.00 53.44 O ATOM 208 CB LYS A 15 -10.258 -3.863 8.134 1.00 2.12 C ATOM 209 CG LYS A 15 -11.362 -4.779 7.665 1.00 72.43 C ATOM 210 CD LYS A 15 -12.731 -4.630 8.345 1.00 54.23 C ATOM 211 CE LYS A 15 -12.729 -5.292 9.734 1.00 22.04 C ATOM 212 NZ LYS A 15 -14.087 -5.450 10.304 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.637 -5.595 6.202 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.372 -3.456 7.335 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.306 -3.773 9.219 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.423 -2.867 7.724 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.497 -4.625 6.594 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.028 -5.808 7.799 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.980 -3.573 8.442 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -13.502 -5.084 7.722 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -12.255 -6.271 9.663 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.123 -4.693 10.414 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -14.021 -5.901 11.239 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.534 -4.516 10.401 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -14.661 -6.044 9.673 1.00 53.52 H new ATOM 226 N GLU A 16 -8.148 -6.146 9.242 1.00 32.01 N ATOM 227 CA GLU A 16 -7.326 -6.773 10.277 1.00 34.41 C ATOM 228 C GLU A 16 -5.854 -6.440 10.069 1.00 35.03 C ATOM 229 O GLU A 16 -5.215 -5.875 10.957 1.00 3.44 O ATOM 230 CB GLU A 16 -7.518 -8.301 10.357 1.00 11.31 C ATOM 231 CG GLU A 16 -8.612 -8.714 11.352 1.00 11.31 C ATOM 232 CD GLU A 16 -8.569 -10.207 11.707 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.472 -10.760 11.957 1.00 73.22 O ATOM 234 OE2 GLU A 16 -9.661 -10.814 11.811 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.765 -6.799 8.760 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.662 -6.360 11.228 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.771 -8.683 9.368 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.576 -8.766 10.647 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.506 -8.126 12.264 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.588 -8.475 10.930 1.00 11.31 H new ATOM 241 N ARG A 17 -5.311 -6.783 8.899 1.00 63.14 N ATOM 242 CA ARG A 17 -3.884 -6.636 8.645 1.00 23.14 C ATOM 243 C ARG A 17 -3.449 -5.181 8.541 1.00 53.13 C ATOM 244 O ARG A 17 -2.272 -4.922 8.754 1.00 22.52 O ATOM 245 CB ARG A 17 -3.464 -7.387 7.374 1.00 51.25 C ATOM 246 CG ARG A 17 -2.755 -8.724 7.631 1.00 12.51 C ATOM 247 CD ARG A 17 -3.687 -9.924 7.836 1.00 23.13 C ATOM 248 NE ARG A 17 -3.174 -11.118 7.129 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.021 -11.757 7.385 1.00 41.23 C ATOM 250 NH1 ARG A 17 -1.279 -11.426 8.435 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -1.611 -12.714 6.563 1.00 54.34 N ATOM 0 H ARG A 17 -5.841 -7.164 8.115 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.382 -7.073 9.508 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.350 -7.571 6.766 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.804 -6.746 6.790 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.095 -8.935 6.790 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -2.123 -8.619 8.513 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.781 -10.139 8.900 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -4.685 -9.681 7.471 1.00 23.13 H new ATOM 0 HE ARG A 17 -3.751 -11.491 6.375 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -1.583 -10.678 9.059 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -0.405 -11.919 8.618 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.170 -12.958 5.746 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -0.737 -13.206 6.748 1.00 54.34 H new ATOM 265 N MET A 18 -4.334 -4.244 8.195 1.00 71.35 N ATOM 266 CA MET A 18 -3.983 -2.832 8.122 1.00 21.12 C ATOM 267 C MET A 18 -4.359 -2.127 9.428 1.00 10.24 C ATOM 268 O MET A 18 -5.176 -1.201 9.416 1.00 60.01 O ATOM 269 CB MET A 18 -4.575 -2.136 6.879 1.00 35.41 C ATOM 270 CG MET A 18 -4.183 -2.707 5.517 1.00 63.51 C ATOM 271 SD MET A 18 -2.443 -3.153 5.286 1.00 62.02 S ATOM 272 CE MET A 18 -1.898 -1.827 4.185 1.00 72.55 C ATOM 0 H MET A 18 -5.306 -4.444 7.960 1.00 71.35 H new ATOM 0 HA MET A 18 -2.902 -2.760 8.001 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.662 -2.164 6.959 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.281 -1.087 6.905 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.788 -3.595 5.335 1.00 63.51 H new ATOM 0 HG3 MET A 18 -4.450 -1.977 4.753 1.00 63.51 H new ATOM 0 HE1 MET A 18 -0.816 -1.718 4.255 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.172 -2.071 3.159 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.377 -0.892 4.476 1.00 72.55 H new ATOM 282 N ARG A 19 -3.771 -2.531 10.562 1.00 70.53 N ATOM 283 CA ARG A 19 -3.778 -1.717 11.781 1.00 32.31 C ATOM 284 C ARG A 19 -2.513 -0.858 11.856 1.00 1.35 C ATOM 285 O ARG A 19 -2.682 0.349 12.012 1.00 33.22 O ATOM 286 CB ARG A 19 -4.013 -2.552 13.061 1.00 55.31 C ATOM 287 CG ARG A 19 -5.479 -2.536 13.534 1.00 70.22 C ATOM 288 CD ARG A 19 -6.461 -3.254 12.595 1.00 11.33 C ATOM 289 NE ARG A 19 -7.852 -2.824 12.849 1.00 22.22 N ATOM 290 CZ ARG A 19 -8.962 -3.569 12.935 1.00 44.22 C ATOM 291 NH1 ARG A 19 -8.943 -4.888 12.814 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -10.123 -2.966 13.163 1.00 44.53 N ATOM 0 H ARG A 19 -3.283 -3.421 10.659 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.634 -1.044 11.724 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.709 -3.582 12.876 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.376 -2.170 13.859 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.534 -2.999 14.519 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.799 -1.500 13.650 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -6.196 -3.045 11.558 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -6.379 -4.332 12.734 1.00 11.33 H new ATOM 0 HE ARG A 19 -7.985 -1.821 12.977 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -8.061 -5.372 12.649 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -9.811 -5.419 12.886 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -10.159 -1.952 13.269 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -10.979 -3.517 13.232 1.00 44.53 H new ATOM 306 N PRO A 20 -1.273 -1.372 11.700 1.00 55.23 N ATOM 307 CA PRO A 20 -0.084 -0.559 11.957 1.00 5.31 C ATOM 308 C PRO A 20 0.079 0.632 11.002 1.00 5.24 C ATOM 309 O PRO A 20 0.770 1.597 11.328 1.00 22.40 O ATOM 310 CB PRO A 20 1.107 -1.516 11.890 1.00 24.21 C ATOM 311 CG PRO A 20 0.610 -2.729 11.124 1.00 41.52 C ATOM 312 CD PRO A 20 -0.883 -2.753 11.428 1.00 62.13 C ATOM 0 HA PRO A 20 -0.168 -0.087 12.936 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.955 -1.053 11.385 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.444 -1.794 12.889 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.801 -2.635 10.055 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.102 -3.643 11.456 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.444 -3.156 10.585 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -1.094 -3.392 12.286 1.00 62.13 H new ATOM 320 N VAL A 21 -0.593 0.636 9.849 1.00 53.43 N ATOM 321 CA VAL A 21 -0.547 1.734 8.882 1.00 65.33 C ATOM 322 C VAL A 21 -1.829 2.572 8.867 1.00 34.13 C ATOM 323 O VAL A 21 -2.064 3.310 7.913 1.00 65.24 O ATOM 324 CB VAL A 21 -0.131 1.202 7.501 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.274 0.586 7.575 1.00 52.03 C ATOM 326 CG2 VAL A 21 -1.113 0.192 6.897 1.00 41.14 C ATOM 0 H VAL A 21 -1.193 -0.135 9.557 1.00 53.43 H new ATOM 0 HA VAL A 21 0.221 2.439 9.200 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.135 2.064 6.834 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.560 0.212 6.592 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.988 1.345 7.896 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.273 -0.237 8.290 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.747 -0.134 5.924 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -1.202 -0.670 7.559 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -2.090 0.661 6.779 1.00 41.14 H new ATOM 336 N LYS A 22 -2.682 2.496 9.894 1.00 4.01 N ATOM 337 CA LYS A 22 -3.948 3.236 9.924 1.00 52.15 C ATOM 338 C LYS A 22 -3.772 4.744 9.700 1.00 32.24 C ATOM 339 O LYS A 22 -4.548 5.326 8.934 1.00 35.14 O ATOM 340 CB LYS A 22 -4.686 2.964 11.254 1.00 14.31 C ATOM 341 CG LYS A 22 -6.006 2.187 11.120 1.00 51.24 C ATOM 342 CD LYS A 22 -7.209 3.122 10.915 1.00 4.42 C ATOM 343 CE LYS A 22 -8.535 2.459 11.314 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.949 1.369 10.410 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.516 1.924 10.722 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.549 2.873 9.090 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.020 2.408 11.914 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.892 3.918 11.739 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -5.936 1.497 10.279 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.164 1.584 12.014 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.067 4.028 11.504 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.257 3.425 9.869 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.444 2.065 12.326 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -9.318 3.217 11.337 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.850 0.968 10.739 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.068 1.743 9.447 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -8.221 0.626 10.406 1.00 62.13 H new ATOM 358 N ALA A 23 -2.764 5.365 10.328 1.00 3.10 N ATOM 359 CA ALA A 23 -2.492 6.787 10.145 1.00 60.23 C ATOM 360 C ALA A 23 -2.195 7.061 8.681 1.00 22.25 C ATOM 361 O ALA A 23 -2.784 7.974 8.112 1.00 61.41 O ATOM 362 CB ALA A 23 -1.309 7.292 10.979 1.00 13.54 C ATOM 0 H ALA A 23 -2.124 4.897 10.969 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.383 7.317 10.481 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.162 8.356 10.795 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.515 7.132 12.037 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.407 6.748 10.698 1.00 13.54 H new ATOM 368 N ALA A 24 -1.294 6.271 8.087 1.00 33.30 N ATOM 369 CA ALA A 24 -0.891 6.419 6.699 1.00 54.32 C ATOM 370 C ALA A 24 -2.100 6.244 5.788 1.00 25.33 C ATOM 371 O ALA A 24 -2.318 7.061 4.908 1.00 41.25 O ATOM 372 CB ALA A 24 0.223 5.427 6.361 1.00 1.31 C ATOM 0 H ALA A 24 -0.823 5.505 8.568 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.494 7.422 6.541 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.515 5.549 5.318 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.084 5.614 7.003 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.135 4.410 6.521 1.00 1.31 H new ATOM 378 N LEU A 25 -2.923 5.221 6.029 1.00 62.25 N ATOM 379 CA LEU A 25 -4.141 4.957 5.273 1.00 63.42 C ATOM 380 C LEU A 25 -5.024 6.196 5.232 1.00 64.02 C ATOM 381 O LEU A 25 -5.487 6.578 4.162 1.00 34.33 O ATOM 382 CB LEU A 25 -4.905 3.772 5.892 1.00 1.32 C ATOM 383 CG LEU A 25 -4.696 2.466 5.115 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.102 1.277 5.988 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.560 2.446 3.851 1.00 60.44 C ATOM 0 H LEU A 25 -2.755 4.542 6.771 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.866 4.699 4.250 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -4.580 3.633 6.923 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -5.969 4.006 5.922 1.00 1.32 H new ATOM 0 HG LEU A 25 -3.643 2.399 4.841 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -4.952 0.351 5.433 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.491 1.263 6.890 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.153 1.370 6.263 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -5.397 1.512 3.314 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -6.611 2.527 4.127 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -5.287 3.285 3.211 1.00 60.44 H new ATOM 397 N LYS A 26 -5.304 6.820 6.383 1.00 54.00 N ATOM 398 CA LYS A 26 -6.165 8.005 6.356 1.00 74.52 C ATOM 399 C LYS A 26 -5.424 9.275 5.915 1.00 13.22 C ATOM 400 O LYS A 26 -6.064 10.218 5.465 1.00 65.43 O ATOM 401 CB LYS A 26 -6.876 8.208 7.696 1.00 21.25 C ATOM 402 CG LYS A 26 -8.375 8.413 7.421 1.00 45.03 C ATOM 403 CD LYS A 26 -9.170 8.774 8.672 1.00 54.44 C ATOM 404 CE LYS A 26 -10.654 8.836 8.294 1.00 30.32 C ATOM 405 NZ LYS A 26 -11.449 9.577 9.290 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.965 6.540 7.303 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.924 7.816 5.596 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.723 7.343 8.342 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.464 9.072 8.217 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.497 9.203 6.680 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.786 7.502 6.987 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.007 8.032 9.453 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.838 9.733 9.070 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.760 9.312 7.319 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -11.046 7.823 8.198 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -12.446 9.594 8.995 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -11.370 9.109 10.215 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -11.093 10.551 9.363 1.00 3.34 H new ATOM 419 N GLN A 27 -4.101 9.321 6.030 1.00 44.31 N ATOM 420 CA GLN A 27 -3.268 10.354 5.417 1.00 45.20 C ATOM 421 C GLN A 27 -3.271 10.252 3.889 1.00 75.11 C ATOM 422 O GLN A 27 -3.108 11.269 3.227 1.00 3.23 O ATOM 423 CB GLN A 27 -1.820 10.252 5.918 1.00 63.33 C ATOM 424 CG GLN A 27 -1.588 10.850 7.314 1.00 62.13 C ATOM 425 CD GLN A 27 -1.113 12.308 7.328 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.903 12.958 6.305 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.916 12.840 8.520 1.00 1.20 N ATOM 0 H GLN A 27 -3.567 8.632 6.560 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.693 11.315 5.706 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.526 9.202 5.932 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.166 10.756 5.207 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.517 10.782 7.880 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.851 10.239 7.836 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.094 12.289 9.360 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.586 13.802 8.601 1.00 1.20 H new ATOM 436 N LEU A 28 -3.420 9.067 3.300 1.00 32.11 N ATOM 437 CA LEU A 28 -3.508 8.926 1.851 1.00 1.43 C ATOM 438 C LEU A 28 -4.882 9.392 1.362 1.00 13.42 C ATOM 439 O LEU A 28 -4.986 9.961 0.278 1.00 2.11 O ATOM 440 CB LEU A 28 -3.212 7.475 1.437 1.00 33.02 C ATOM 441 CG LEU A 28 -1.759 7.259 0.973 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.714 7.414 2.084 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.637 5.876 0.323 1.00 62.12 C ATOM 0 H LEU A 28 -3.483 8.186 3.810 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.756 9.559 1.379 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.419 6.815 2.279 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.890 7.188 0.633 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.542 8.049 0.254 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.282 7.246 1.673 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -0.770 8.420 2.499 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -0.909 6.686 2.871 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.610 5.718 -0.007 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.907 5.108 1.048 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.307 5.817 -0.535 1.00 62.12 H new ATOM 455 N ASP A 29 -5.918 9.186 2.172 1.00 4.35 N ATOM 456 CA ASP A 29 -7.281 9.662 1.950 1.00 23.20 C ATOM 457 C ASP A 29 -7.351 11.196 2.063 1.00 70.54 C ATOM 458 O ASP A 29 -7.785 11.889 1.136 1.00 54.23 O ATOM 459 CB ASP A 29 -8.163 8.949 2.984 1.00 44.14 C ATOM 460 CG ASP A 29 -9.616 9.396 2.996 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.353 9.132 2.023 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.080 9.905 4.041 1.00 31.42 O1- ATOM 0 H ASP A 29 -5.826 8.659 3.040 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.631 9.432 0.944 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.129 7.876 2.793 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.739 9.110 3.975 1.00 44.14 H new ATOM 467 N ARG A 30 -6.889 11.737 3.197 1.00 1.15 N ATOM 468 CA ARG A 30 -6.902 13.156 3.546 1.00 60.23 C ATOM 469 C ARG A 30 -5.585 13.503 4.253 1.00 21.12 C ATOM 470 O ARG A 30 -5.542 13.441 5.487 1.00 42.23 O ATOM 471 CB ARG A 30 -8.121 13.465 4.434 1.00 12.30 C ATOM 472 CG ARG A 30 -8.291 14.976 4.703 1.00 32.22 C ATOM 473 CD ARG A 30 -8.693 15.280 6.154 1.00 61.42 C ATOM 474 NE ARG A 30 -7.546 15.220 7.082 1.00 74.33 N ATOM 475 CZ ARG A 30 -7.624 15.138 8.417 1.00 54.25 C ATOM 476 NH1 ARG A 30 -8.793 14.976 9.025 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -6.524 15.209 9.160 1.00 42.22 N ATOM 0 H ARG A 30 -6.475 11.163 3.932 1.00 1.15 H new ATOM 0 HA ARG A 30 -6.987 13.768 2.648 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -9.022 13.081 3.955 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.017 12.940 5.384 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -7.357 15.489 4.475 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.048 15.378 4.029 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -9.144 16.271 6.203 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -9.453 14.567 6.474 1.00 61.42 H new ATOM 0 HE ARG A 30 -6.613 15.243 6.671 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -9.649 14.912 8.475 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -8.835 14.915 10.042 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -5.614 15.327 8.714 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -6.590 15.146 10.176 1.00 42.22 H new ATOM 491 N PRO A 31 -4.500 13.828 3.533 1.00 42.22 N ATOM 492 CA PRO A 31 -3.244 14.175 4.179 1.00 54.35 C ATOM 493 C PRO A 31 -3.409 15.429 5.030 1.00 4.11 C ATOM 494 O PRO A 31 -4.340 16.220 4.837 1.00 74.21 O ATOM 495 CB PRO A 31 -2.220 14.363 3.060 1.00 32.13 C ATOM 496 CG PRO A 31 -3.063 14.644 1.823 1.00 42.02 C ATOM 497 CD PRO A 31 -4.388 13.931 2.090 1.00 44.54 C ATOM 0 HA PRO A 31 -2.910 13.394 4.862 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -1.542 15.189 3.276 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -1.606 13.472 2.929 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -3.211 15.714 1.679 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -2.583 14.264 0.921 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.224 14.491 1.672 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.402 12.945 1.626 1.00 44.54 H new ATOM 505 N GLU A 32 -2.512 15.599 5.994 1.00 1.13 N ATOM 506 CA GLU A 32 -2.402 16.834 6.756 1.00 30.44 C ATOM 507 C GLU A 32 -1.813 17.936 5.869 1.00 4.33 C ATOM 508 O GLU A 32 -1.207 17.644 4.833 1.00 30.13 O ATOM 509 CB GLU A 32 -1.536 16.586 7.994 1.00 33.11 C ATOM 510 CG GLU A 32 -0.046 16.509 7.619 1.00 14.44 C ATOM 511 CD GLU A 32 0.820 15.815 8.655 1.00 31.31 C ATOM 512 OE1 GLU A 32 0.302 15.165 9.598 1.00 41.22 O ATOM 513 OE2 GLU A 32 2.051 15.850 8.482 1.00 23.13 O1- ATOM 0 H GLU A 32 -1.840 14.882 6.269 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.387 17.162 7.087 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -1.692 17.387 8.717 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -1.842 15.657 8.476 1.00 33.11 H new ATOM 0 HG2 GLU A 32 0.052 15.984 6.669 1.00 14.44 H new ATOM 0 HG3 GLU A 32 0.331 17.520 7.464 1.00 14.44 H new ATOM 520 N LYS A 33 -1.917 19.196 6.302 1.00 52.24 N ATOM 521 CA LYS A 33 -1.379 20.354 5.590 1.00 32.14 C ATOM 522 C LYS A 33 -0.743 21.405 6.510 1.00 2.41 C ATOM 523 O LYS A 33 -0.272 22.429 6.021 1.00 0.40 O ATOM 524 CB LYS A 33 -2.420 20.919 4.587 1.00 62.42 C ATOM 525 CG LYS A 33 -2.630 19.949 3.401 1.00 63.41 C ATOM 526 CD LYS A 33 -3.477 20.450 2.225 1.00 51.51 C ATOM 527 CE LYS A 33 -4.974 20.341 2.537 1.00 43.22 C ATOM 528 NZ LYS A 33 -5.813 20.465 1.328 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.387 19.442 7.173 1.00 52.24 H new ATOM 0 HA LYS A 33 -0.535 20.007 4.995 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -3.369 21.086 5.097 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -2.084 21.887 4.215 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -1.649 19.670 3.016 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -3.092 19.040 3.786 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -3.223 21.487 2.005 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -3.245 19.869 1.332 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -5.173 19.383 3.017 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -5.251 21.118 3.249 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -6.816 20.385 1.592 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -5.645 21.390 0.882 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -5.570 19.708 0.657 1.00 43.21 H new ATOM 542 N GLY A 34 -0.657 21.160 7.820 1.00 62.23 N ATOM 543 CA GLY A 34 -0.198 22.139 8.811 1.00 43.33 C ATOM 544 C GLY A 34 1.321 22.195 9.006 1.00 1.12 C ATOM 545 O GLY A 34 1.781 22.547 10.098 1.00 35.04 O ATOM 0 H GLY A 34 -0.909 20.260 8.230 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -0.548 23.127 8.513 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.665 21.911 9.769 1.00 43.33 H new ATOM 549 N LEU A 35 2.106 21.819 7.995 1.00 20.30 N ATOM 550 CA LEU A 35 3.552 21.630 8.051 1.00 75.01 C ATOM 551 C LEU A 35 4.201 22.345 6.878 1.00 50.32 C ATOM 552 O LEU A 35 3.522 23.012 6.098 1.00 62.14 O ATOM 553 CB LEU A 35 3.863 20.121 8.034 1.00 30.55 C ATOM 554 CG LEU A 35 4.376 19.507 9.349 1.00 75.10 C ATOM 555 CD1 LEU A 35 3.698 20.031 10.618 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.109 18.006 9.294 1.00 10.10 C ATOM 0 H LEU A 35 1.728 21.629 7.067 1.00 20.30 H new ATOM 0 HA LEU A 35 3.957 22.054 8.970 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.957 19.590 7.741 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.606 19.935 7.259 1.00 30.55 H new ATOM 0 HG LEU A 35 5.430 19.776 9.417 1.00 75.10 H new ATOM 0 HD11 LEU A 35 4.128 19.538 11.490 1.00 74.41 H new ATOM 0 HD12 LEU A 35 3.853 21.107 10.696 1.00 74.41 H new ATOM 0 HD13 LEU A 35 2.629 19.821 10.573 1.00 74.41 H new ATOM 0 HD21 LEU A 35 4.462 17.540 10.214 1.00 10.10 H new ATOM 0 HD22 LEU A 35 3.039 17.831 9.186 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.635 17.574 8.443 1.00 10.10 H new ATOM 568 N SER A 36 5.511 22.177 6.757 1.00 13.30 N ATOM 569 CA SER A 36 6.338 22.787 5.747 1.00 21.20 C ATOM 570 C SER A 36 6.414 21.916 4.492 1.00 65.31 C ATOM 571 O SER A 36 6.018 20.754 4.514 1.00 60.15 O ATOM 572 CB SER A 36 7.701 23.215 6.313 1.00 50.44 C ATOM 573 OG SER A 36 8.672 22.193 6.336 1.00 62.23 O ATOM 0 H SER A 36 6.042 21.583 7.394 1.00 13.30 H new ATOM 0 HA SER A 36 5.867 23.715 5.424 1.00 21.20 H new ATOM 0 HB2 SER A 36 8.081 24.047 5.720 1.00 50.44 H new ATOM 0 HB3 SER A 36 7.558 23.586 7.328 1.00 50.44 H new ATOM 0 HG SER A 36 9.508 22.545 6.707 1.00 62.23 H new ATOM 579 N GLU A 37 6.972 22.446 3.408 1.00 43.12 N ATOM 580 CA GLU A 37 7.007 21.806 2.106 1.00 23.33 C ATOM 581 C GLU A 37 7.669 20.432 2.167 1.00 0.42 C ATOM 582 O GLU A 37 7.121 19.445 1.678 1.00 53.05 O ATOM 583 CB GLU A 37 7.811 22.697 1.160 1.00 4.24 C ATOM 584 CG GLU A 37 7.035 23.884 0.586 1.00 51.34 C ATOM 585 CD GLU A 37 7.819 24.462 -0.586 1.00 10.03 C ATOM 586 OE1 GLU A 37 7.832 23.830 -1.666 1.00 20.55 O ATOM 587 OE2 GLU A 37 8.526 25.484 -0.415 1.00 32.52 O1- ATOM 0 H GLU A 37 7.425 23.360 3.416 1.00 43.12 H new ATOM 0 HA GLU A 37 5.983 21.670 1.758 1.00 23.33 H new ATOM 0 HB2 GLU A 37 8.684 23.074 1.692 1.00 4.24 H new ATOM 0 HB3 GLU A 37 8.180 22.088 0.335 1.00 4.24 H new ATOM 0 HG2 GLU A 37 6.046 23.565 0.258 1.00 51.34 H new ATOM 0 HG3 GLU A 37 6.887 24.644 1.353 1.00 51.34 H new ATOM 594 N ARG A 38 8.876 20.371 2.741 1.00 21.15 N ATOM 595 CA ARG A 38 9.635 19.129 2.754 1.00 61.30 C ATOM 596 C ARG A 38 9.024 18.134 3.730 1.00 25.54 C ATOM 597 O ARG A 38 9.072 16.942 3.462 1.00 2.34 O ATOM 598 CB ARG A 38 11.106 19.402 3.076 1.00 12.35 C ATOM 599 CG ARG A 38 11.995 18.254 2.576 1.00 63.40 C ATOM 600 CD ARG A 38 13.489 18.589 2.695 1.00 71.42 C ATOM 601 NE ARG A 38 14.309 17.894 1.687 1.00 64.41 N ATOM 602 CZ ARG A 38 14.403 18.215 0.388 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.642 19.165 -0.143 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.272 17.591 -0.393 1.00 51.23 N ATOM 0 H ARG A 38 9.338 21.159 3.195 1.00 21.15 H new ATOM 0 HA ARG A 38 9.590 18.684 1.760 1.00 61.30 H new ATOM 0 HB2 ARG A 38 11.417 20.338 2.612 1.00 12.35 H new ATOM 0 HB3 ARG A 38 11.231 19.523 4.152 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.779 17.352 3.149 1.00 63.40 H new ATOM 0 HG3 ARG A 38 11.754 18.036 1.536 1.00 63.40 H new ATOM 0 HD2 ARG A 38 13.625 19.665 2.589 1.00 71.42 H new ATOM 0 HD3 ARG A 38 13.839 18.320 3.691 1.00 71.42 H new ATOM 0 HE ARG A 38 14.856 17.095 2.007 1.00 64.41 H new ATOM 0 HH11 ARG A 38 12.971 19.666 0.439 1.00 14.30 H new ATOM 0 HH12 ARG A 38 13.729 19.394 -1.133 1.00 14.30 H new ATOM 0 HH21 ARG A 38 15.873 16.863 -0.007 1.00 51.23 H new ATOM 0 HH22 ARG A 38 15.340 17.839 -1.380 1.00 51.23 H new ATOM 618 N GLU A 39 8.433 18.621 4.820 1.00 34.32 N ATOM 619 CA GLU A 39 7.727 17.794 5.787 1.00 22.23 C ATOM 620 C GLU A 39 6.573 17.107 5.070 1.00 4.10 C ATOM 621 O GLU A 39 6.412 15.898 5.176 1.00 34.05 O ATOM 622 CB GLU A 39 7.163 18.662 6.918 1.00 71.25 C ATOM 623 CG GLU A 39 8.181 19.514 7.674 1.00 31.04 C ATOM 624 CD GLU A 39 8.795 18.829 8.895 1.00 75.22 C ATOM 625 OE1 GLU A 39 8.895 17.587 8.927 1.00 14.54 O1- ATOM 626 OE2 GLU A 39 9.197 19.577 9.819 1.00 73.33 O ATOM 0 H GLU A 39 8.433 19.613 5.056 1.00 34.32 H new ATOM 0 HA GLU A 39 8.413 17.062 6.213 1.00 22.23 H new ATOM 0 HB2 GLU A 39 6.404 19.323 6.499 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.660 18.011 7.633 1.00 71.25 H new ATOM 0 HG2 GLU A 39 8.981 19.795 6.989 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.698 20.437 7.995 1.00 31.04 H new ATOM 633 N GLN A 40 5.782 17.878 4.316 1.00 75.44 N ATOM 634 CA GLN A 40 4.649 17.371 3.558 1.00 33.21 C ATOM 635 C GLN A 40 5.138 16.289 2.603 1.00 45.12 C ATOM 636 O GLN A 40 4.594 15.182 2.601 1.00 73.12 O ATOM 637 CB GLN A 40 3.971 18.514 2.781 1.00 44.22 C ATOM 638 CG GLN A 40 3.329 19.596 3.659 1.00 34.02 C ATOM 639 CD GLN A 40 1.855 19.331 3.884 1.00 3.44 C ATOM 640 OE1 GLN A 40 1.001 19.964 3.268 1.00 24.20 O ATOM 641 NE2 GLN A 40 1.528 18.403 4.771 1.00 2.34 N ATOM 0 H GLN A 40 5.918 18.884 4.218 1.00 75.44 H new ATOM 0 HA GLN A 40 3.912 16.946 4.240 1.00 33.21 H new ATOM 0 HB2 GLN A 40 4.711 18.983 2.133 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.204 18.089 2.133 1.00 44.22 H new ATOM 0 HG2 GLN A 40 3.842 19.637 4.620 1.00 34.02 H new ATOM 0 HG3 GLN A 40 3.456 20.570 3.187 1.00 34.02 H new ATOM 0 HE21 GLN A 40 2.258 17.893 5.268 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.546 18.199 4.957 1.00 2.34 H new ATOM 650 N LEU A 41 6.155 16.604 1.797 1.00 41.12 N ATOM 651 CA LEU A 41 6.674 15.693 0.794 1.00 15.34 C ATOM 652 C LEU A 41 7.162 14.407 1.449 1.00 23.34 C ATOM 653 O LEU A 41 6.745 13.320 1.052 1.00 52.42 O ATOM 654 CB LEU A 41 7.802 16.363 -0.020 1.00 21.03 C ATOM 655 CG LEU A 41 7.547 16.393 -1.535 1.00 0.11 C ATOM 656 CD1 LEU A 41 7.374 14.996 -2.146 1.00 22.31 C ATOM 657 CD2 LEU A 41 6.352 17.287 -1.879 1.00 65.33 C ATOM 0 H LEU A 41 6.638 17.502 1.828 1.00 41.12 H new ATOM 0 HA LEU A 41 5.869 15.440 0.104 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.935 17.385 0.336 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.736 15.835 0.170 1.00 21.03 H new ATOM 0 HG LEU A 41 8.444 16.820 -1.983 1.00 0.11 H new ATOM 0 HD11 LEU A 41 7.197 15.087 -3.218 1.00 22.31 H new ATOM 0 HD12 LEU A 41 8.277 14.410 -1.976 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.525 14.497 -1.679 1.00 22.31 H new ATOM 0 HD21 LEU A 41 6.197 17.288 -2.958 1.00 65.33 H new ATOM 0 HD22 LEU A 41 5.458 16.906 -1.384 1.00 65.33 H new ATOM 0 HD23 LEU A 41 6.549 18.304 -1.540 1.00 65.33 H new ATOM 669 N GLU A 42 8.056 14.518 2.429 1.00 33.24 N ATOM 670 CA GLU A 42 8.702 13.363 3.017 1.00 33.03 C ATOM 671 C GLU A 42 7.683 12.531 3.784 1.00 40.42 C ATOM 672 O GLU A 42 7.661 11.320 3.581 1.00 21.43 O ATOM 673 CB GLU A 42 9.933 13.754 3.852 1.00 30.51 C ATOM 674 CG GLU A 42 11.058 14.283 2.939 1.00 14.32 C ATOM 675 CD GLU A 42 12.462 13.989 3.469 1.00 3.02 C ATOM 676 OE1 GLU A 42 12.980 12.888 3.147 1.00 44.20 O ATOM 677 OE2 GLU A 42 13.116 14.860 4.097 1.00 2.14 O1- ATOM 0 H GLU A 42 8.347 15.409 2.831 1.00 33.24 H new ATOM 0 HA GLU A 42 9.094 12.733 2.219 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.658 14.517 4.580 1.00 30.51 H new ATOM 0 HB3 GLU A 42 10.288 12.890 4.414 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.951 13.839 1.949 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.942 15.360 2.819 1.00 14.32 H new ATOM 684 N HIS A 43 6.780 13.137 4.558 1.00 44.33 N ATOM 685 CA HIS A 43 5.758 12.403 5.296 1.00 44.01 C ATOM 686 C HIS A 43 4.877 11.614 4.336 1.00 54.41 C ATOM 687 O HIS A 43 4.596 10.444 4.578 1.00 14.03 O ATOM 688 CB HIS A 43 4.921 13.368 6.135 1.00 30.04 C ATOM 689 CG HIS A 43 3.966 12.737 7.128 1.00 15.00 C ATOM 690 ND1 HIS A 43 3.074 13.448 7.887 1.00 21.13 N ATOM 691 CD2 HIS A 43 3.854 11.423 7.515 1.00 25.41 C ATOM 692 CE1 HIS A 43 2.435 12.602 8.701 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.856 11.342 8.503 1.00 71.41 N ATOM 0 H HIS A 43 6.739 14.148 4.689 1.00 44.33 H new ATOM 0 HA HIS A 43 6.245 11.697 5.968 1.00 44.01 H new ATOM 0 HB2 HIS A 43 5.599 14.024 6.681 1.00 30.04 H new ATOM 0 HB3 HIS A 43 4.344 13.998 5.458 1.00 30.04 H new ATOM 0 HD1 HIS A 43 2.923 14.456 7.839 1.00 21.13 H new ATOM 0 HD2 HIS A 43 4.432 10.597 7.128 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.683 12.892 9.420 1.00 13.25 H new ATOM 701 N THR A 44 4.475 12.215 3.215 1.00 62.13 N ATOM 702 CA THR A 44 3.689 11.514 2.199 1.00 71.14 C ATOM 703 C THR A 44 4.456 10.284 1.690 1.00 32.51 C ATOM 704 O THR A 44 3.874 9.213 1.518 1.00 73.14 O ATOM 705 CB THR A 44 3.368 12.472 1.038 1.00 22.00 C ATOM 706 OG1 THR A 44 2.808 13.683 1.494 1.00 22.10 O ATOM 707 CG2 THR A 44 2.354 11.894 0.058 1.00 62.22 C ATOM 0 H THR A 44 4.681 13.188 2.988 1.00 62.13 H new ATOM 0 HA THR A 44 2.753 11.174 2.642 1.00 71.14 H new ATOM 0 HB THR A 44 4.329 12.633 0.549 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.518 14.348 1.612 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.167 12.614 -0.739 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.747 10.972 -0.371 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.422 11.682 0.582 1.00 62.22 H new ATOM 715 N ARG A 45 5.765 10.403 1.433 1.00 24.01 N ATOM 716 CA ARG A 45 6.585 9.271 0.996 1.00 72.21 C ATOM 717 C ARG A 45 6.719 8.234 2.104 1.00 64.44 C ATOM 718 O ARG A 45 6.663 7.047 1.799 1.00 71.53 O ATOM 719 CB ARG A 45 7.978 9.725 0.516 1.00 64.22 C ATOM 720 CG ARG A 45 7.961 10.094 -0.971 1.00 11.44 C ATOM 721 CD ARG A 45 7.352 11.473 -1.248 1.00 54.04 C ATOM 722 NE ARG A 45 6.804 11.594 -2.610 1.00 4.24 N ATOM 723 CZ ARG A 45 5.521 11.364 -2.928 1.00 42.41 C ATOM 724 NH1 ARG A 45 4.721 10.708 -2.093 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 5.032 11.759 -4.096 1.00 0.40 N ATOM 0 H ARG A 45 6.280 11.279 1.522 1.00 24.01 H new ATOM 0 HA ARG A 45 6.074 8.813 0.150 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.305 10.584 1.102 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.702 8.928 0.687 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.981 10.071 -1.355 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.397 9.339 -1.519 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.560 11.667 -0.525 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.114 12.238 -1.099 1.00 54.04 H new ATOM 0 HE ARG A 45 7.440 11.870 -3.358 1.00 4.24 H new ATOM 0 HH11 ARG A 45 5.081 10.373 -1.199 1.00 25.00 H new ATOM 0 HH12 ARG A 45 3.747 10.539 -2.346 1.00 25.00 H new ATOM 0 HH21 ARG A 45 5.633 12.243 -4.763 1.00 0.40 H new ATOM 0 HH22 ARG A 45 4.055 11.579 -4.327 1.00 0.40 H new ATOM 739 N GLN A 46 6.906 8.661 3.345 1.00 54.25 N ATOM 740 CA GLN A 46 7.049 7.802 4.509 1.00 14.35 C ATOM 741 C GLN A 46 5.767 6.994 4.731 1.00 34.32 C ATOM 742 O GLN A 46 5.849 5.773 4.834 1.00 63.33 O ATOM 743 CB GLN A 46 7.456 8.637 5.731 1.00 1.03 C ATOM 744 CG GLN A 46 8.892 9.180 5.596 1.00 71.03 C ATOM 745 CD GLN A 46 9.944 8.100 5.823 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.495 7.528 4.877 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.224 7.808 7.080 1.00 72.22 N ATOM 0 H GLN A 46 6.964 9.653 3.576 1.00 54.25 H new ATOM 0 HA GLN A 46 7.847 7.079 4.342 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.762 9.469 5.851 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.381 8.026 6.631 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.024 9.609 4.603 1.00 71.03 H new ATOM 0 HG3 GLN A 46 9.042 9.986 6.314 1.00 71.03 H new ATOM 0 HE21 GLN A 46 9.749 8.301 7.836 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.915 7.089 7.295 1.00 72.22 H new ATOM 756 N CYS A 47 4.596 7.637 4.720 1.00 43.24 N ATOM 757 CA CYS A 47 3.295 6.995 4.714 1.00 44.42 C ATOM 758 C CYS A 47 3.216 5.969 3.584 1.00 2.22 C ATOM 759 O CYS A 47 2.925 4.801 3.836 1.00 63.24 O ATOM 760 CB CYS A 47 2.229 8.084 4.526 1.00 3.33 C ATOM 761 SG CYS A 47 1.963 9.008 6.060 1.00 22.35 S ATOM 0 H CYS A 47 4.535 8.655 4.715 1.00 43.24 H new ATOM 0 HA CYS A 47 3.130 6.468 5.654 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.538 8.767 3.735 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.292 7.629 4.205 1.00 3.33 H new ATOM 0 HG CYS A 47 1.058 9.921 5.865 1.00 22.35 H new ATOM 767 N LEU A 48 3.484 6.400 2.345 1.00 4.13 N ATOM 768 CA LEU A 48 3.418 5.541 1.169 1.00 3.12 C ATOM 769 C LEU A 48 4.270 4.276 1.328 1.00 50.02 C ATOM 770 O LEU A 48 3.784 3.181 1.042 1.00 33.14 O ATOM 771 CB LEU A 48 3.833 6.366 -0.056 1.00 72.14 C ATOM 772 CG LEU A 48 4.008 5.564 -1.356 1.00 60.44 C ATOM 773 CD1 LEU A 48 2.714 4.877 -1.799 1.00 73.51 C ATOM 774 CD2 LEU A 48 4.486 6.538 -2.436 1.00 44.04 C ATOM 0 H LEU A 48 3.754 7.361 2.135 1.00 4.13 H new ATOM 0 HA LEU A 48 2.396 5.187 1.038 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.084 7.140 -0.223 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.771 6.873 0.168 1.00 72.14 H new ATOM 0 HG LEU A 48 4.734 4.768 -1.188 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.893 4.325 -2.721 1.00 73.51 H new ATOM 0 HD12 LEU A 48 2.383 4.188 -1.022 1.00 73.51 H new ATOM 0 HD13 LEU A 48 1.943 5.628 -1.970 1.00 73.51 H new ATOM 0 HD21 LEU A 48 4.621 6.002 -3.375 1.00 44.04 H new ATOM 0 HD22 LEU A 48 3.744 7.325 -2.571 1.00 44.04 H new ATOM 0 HD23 LEU A 48 5.434 6.982 -2.132 1.00 44.04 H new ATOM 786 N ILE A 49 5.538 4.403 1.734 1.00 4.15 N ATOM 787 CA ILE A 49 6.390 3.241 1.904 1.00 22.35 C ATOM 788 C ILE A 49 5.946 2.368 3.064 1.00 73.31 C ATOM 789 O ILE A 49 5.951 1.158 2.892 1.00 54.42 O ATOM 790 CB ILE A 49 7.895 3.559 1.944 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.292 4.379 3.181 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.325 4.200 0.609 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.768 4.759 3.232 1.00 33.54 C ATOM 0 H ILE A 49 5.986 5.294 1.947 1.00 4.15 H new ATOM 0 HA ILE A 49 6.257 2.656 0.994 1.00 22.35 H new ATOM 0 HB ILE A 49 8.449 2.626 2.053 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.693 5.289 3.207 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.044 3.808 4.076 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.391 4.424 0.640 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.123 3.508 -0.209 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.765 5.122 0.451 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.964 5.336 4.136 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.376 3.855 3.239 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.020 5.358 2.357 1.00 33.54 H new ATOM 805 N LYS A 50 5.524 2.924 4.202 1.00 54.03 N ATOM 806 CA LYS A 50 5.074 2.120 5.314 1.00 10.45 C ATOM 807 C LYS A 50 3.872 1.283 4.885 1.00 65.14 C ATOM 808 O LYS A 50 3.817 0.116 5.256 1.00 21.01 O ATOM 809 CB LYS A 50 4.781 3.042 6.508 1.00 64.21 C ATOM 810 CG LYS A 50 5.772 2.874 7.675 1.00 11.34 C ATOM 811 CD LYS A 50 7.200 3.355 7.353 1.00 30.02 C ATOM 812 CE LYS A 50 8.090 3.185 8.594 1.00 53.21 C ATOM 813 NZ LYS A 50 9.513 3.528 8.370 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.489 3.930 4.367 1.00 54.03 H new ATOM 0 HA LYS A 50 5.844 1.417 5.631 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.803 4.078 6.170 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.771 2.846 6.869 1.00 64.21 H new ATOM 0 HG2 LYS A 50 5.399 3.425 8.538 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.808 1.822 7.960 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.608 2.784 6.519 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.182 4.401 7.045 1.00 30.02 H new ATOM 0 HE2 LYS A 50 7.699 3.810 9.397 1.00 53.21 H new ATOM 0 HE3 LYS A 50 8.026 2.152 8.935 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 10.047 3.388 9.251 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 9.905 2.915 7.627 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 9.588 4.522 8.074 1.00 51.25 H new ATOM 827 N ILE A 51 2.940 1.826 4.097 1.00 24.51 N ATOM 828 CA ILE A 51 1.820 1.049 3.571 1.00 1.44 C ATOM 829 C ILE A 51 2.366 -0.059 2.680 1.00 1.23 C ATOM 830 O ILE A 51 2.101 -1.232 2.950 1.00 42.41 O ATOM 831 CB ILE A 51 0.801 1.939 2.830 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.094 2.842 3.858 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.248 1.097 2.076 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.781 3.906 3.199 1.00 62.13 C ATOM 0 H ILE A 51 2.941 2.805 3.810 1.00 24.51 H new ATOM 0 HA ILE A 51 1.274 0.601 4.401 1.00 1.44 H new ATOM 0 HB ILE A 51 1.336 2.539 2.094 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.521 2.227 4.515 1.00 72.01 H new ATOM 0 HG13 ILE A 51 0.842 3.328 4.484 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.948 1.759 1.567 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.252 0.464 1.343 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.790 0.472 2.785 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -1.256 4.515 3.969 1.00 62.13 H new ATOM 0 HD12 ILE A 51 -0.165 4.541 2.563 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.548 3.423 2.594 1.00 62.13 H new ATOM 846 N GLY A 52 3.075 0.299 1.606 1.00 60.25 N ATOM 847 CA GLY A 52 3.491 -0.667 0.603 1.00 12.12 C ATOM 848 C GLY A 52 4.370 -1.763 1.192 1.00 41.42 C ATOM 849 O GLY A 52 4.327 -2.903 0.722 1.00 1.12 O ATOM 0 H GLY A 52 3.371 1.256 1.414 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.610 -1.117 0.146 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.035 -0.154 -0.190 1.00 12.12 H new ATOM 853 N ASP A 53 5.141 -1.434 2.224 1.00 15.43 N ATOM 854 CA ASP A 53 5.958 -2.364 2.973 1.00 23.03 C ATOM 855 C ASP A 53 5.090 -3.326 3.766 1.00 4.51 C ATOM 856 O ASP A 53 5.214 -4.524 3.548 1.00 64.45 O ATOM 857 CB ASP A 53 6.898 -1.617 3.906 1.00 51.04 C ATOM 858 CG ASP A 53 7.827 -2.623 4.567 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.866 -2.954 3.939 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 7.551 -3.030 5.713 1.00 2.34 O ATOM 0 H ASP A 53 5.212 -0.477 2.569 1.00 15.43 H new ATOM 0 HA ASP A 53 6.553 -2.939 2.263 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.475 -0.878 3.350 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.329 -1.074 4.661 1.00 51.04 H new ATOM 865 N HIS A 54 4.182 -2.835 4.619 1.00 4.14 N ATOM 866 CA HIS A 54 3.328 -3.702 5.428 1.00 61.14 C ATOM 867 C HIS A 54 2.403 -4.553 4.546 1.00 71.00 C ATOM 868 O HIS A 54 2.015 -5.653 4.941 1.00 13.33 O ATOM 869 CB HIS A 54 2.531 -2.866 6.437 1.00 31.12 C ATOM 870 CG HIS A 54 3.358 -2.379 7.605 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.157 -1.261 7.608 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.478 -2.974 8.833 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.741 -1.165 8.811 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.383 -2.206 9.579 1.00 52.53 N ATOM 0 H HIS A 54 4.023 -1.838 4.764 1.00 4.14 H new ATOM 0 HA HIS A 54 3.963 -4.392 5.983 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.100 -2.006 5.924 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.700 -3.462 6.814 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.284 -0.615 6.829 1.00 41.41 H new ATOM 0 HD2 HIS A 54 2.970 -3.868 9.165 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.402 -0.368 9.117 1.00 33.05 H new ATOM 882 N ILE A 55 2.064 -4.093 3.338 1.00 14.30 N ATOM 883 CA ILE A 55 1.457 -4.932 2.317 1.00 11.25 C ATOM 884 C ILE A 55 2.430 -6.075 2.000 1.00 40.53 C ATOM 885 O ILE A 55 2.079 -7.242 2.158 1.00 21.05 O ATOM 886 CB ILE A 55 1.052 -4.079 1.093 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.140 -3.152 1.412 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.701 -4.913 -0.145 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.510 -2.234 0.241 1.00 63.25 C ATOM 0 H ILE A 55 2.206 -3.126 3.046 1.00 14.30 H new ATOM 0 HA ILE A 55 0.528 -5.383 2.666 1.00 11.25 H new ATOM 0 HB ILE A 55 1.937 -3.486 0.864 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -1.005 -3.759 1.679 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.103 -2.543 2.283 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.426 -4.249 -0.965 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.564 -5.512 -0.436 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.137 -5.571 0.085 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.354 -1.606 0.524 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.343 -1.604 -0.011 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.782 -2.839 -0.624 1.00 63.25 H new ATOM 901 N THR A 56 3.624 -5.753 1.500 1.00 5.22 N ATOM 902 CA THR A 56 4.556 -6.742 0.975 1.00 13.14 C ATOM 903 C THR A 56 4.996 -7.747 2.047 1.00 44.41 C ATOM 904 O THR A 56 5.087 -8.936 1.749 1.00 3.10 O ATOM 905 CB THR A 56 5.742 -6.024 0.310 1.00 23.42 C ATOM 906 OG1 THR A 56 5.277 -4.990 -0.543 1.00 70.12 O ATOM 907 CG2 THR A 56 6.538 -6.972 -0.582 1.00 44.22 C ATOM 0 H THR A 56 3.969 -4.795 1.449 1.00 5.22 H new ATOM 0 HA THR A 56 4.049 -7.337 0.215 1.00 13.14 H new ATOM 0 HB THR A 56 6.362 -5.638 1.119 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.162 -4.166 -0.025 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.369 -6.432 -1.036 1.00 44.22 H new ATOM 0 HG22 THR A 56 6.925 -7.796 0.017 1.00 44.22 H new ATOM 0 HG23 THR A 56 5.890 -7.366 -1.365 1.00 44.22 H new ATOM 915 N GLU A 57 5.224 -7.295 3.279 1.00 33.02 N ATOM 916 CA GLU A 57 5.664 -8.105 4.406 1.00 24.11 C ATOM 917 C GLU A 57 4.625 -9.177 4.722 1.00 32.24 C ATOM 918 O GLU A 57 4.987 -10.335 4.914 1.00 3.40 O ATOM 919 CB GLU A 57 5.902 -7.203 5.621 1.00 61.11 C ATOM 920 CG GLU A 57 7.224 -6.426 5.525 1.00 73.54 C ATOM 921 CD GLU A 57 8.450 -7.315 5.723 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.748 -7.689 6.883 1.00 1.40 O ATOM 923 OE2 GLU A 57 9.151 -7.620 4.730 1.00 10.24 O1- ATOM 0 H GLU A 57 5.101 -6.313 3.526 1.00 33.02 H new ATOM 0 HA GLU A 57 6.598 -8.605 4.151 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.076 -6.498 5.714 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.906 -7.811 6.526 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.286 -5.942 4.550 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.230 -5.635 6.275 1.00 73.54 H new ATOM 930 N CYS A 58 3.342 -8.816 4.732 1.00 11.34 N ATOM 931 CA CYS A 58 2.274 -9.785 4.910 1.00 0.31 C ATOM 932 C CYS A 58 2.208 -10.762 3.737 1.00 73.23 C ATOM 933 O CYS A 58 2.001 -11.953 3.923 1.00 13.34 O ATOM 934 CB CYS A 58 0.946 -9.046 5.026 1.00 31.54 C ATOM 935 SG CYS A 58 0.751 -8.409 6.718 1.00 43.24 S ATOM 0 H CYS A 58 3.022 -7.854 4.618 1.00 11.34 H new ATOM 0 HA CYS A 58 2.474 -10.356 5.817 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.911 -8.224 4.311 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.122 -9.716 4.781 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.268 -7.603 6.764 1.00 43.24 H new ATOM 941 N LEU A 59 2.323 -10.266 2.509 1.00 64.12 N ATOM 942 CA LEU A 59 2.250 -11.110 1.316 1.00 53.20 C ATOM 943 C LEU A 59 3.440 -12.064 1.198 1.00 72.32 C ATOM 944 O LEU A 59 3.299 -13.083 0.524 1.00 72.00 O ATOM 945 CB LEU A 59 2.189 -10.250 0.056 1.00 14.43 C ATOM 946 CG LEU A 59 0.974 -9.324 0.001 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.263 -8.275 -1.058 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.268 -10.115 -0.384 1.00 3.53 C ATOM 0 H LEU A 59 2.468 -9.276 2.311 1.00 64.12 H new ATOM 0 HA LEU A 59 1.342 -11.705 1.416 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.096 -9.649 -0.007 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.178 -10.902 -0.818 1.00 14.43 H new ATOM 0 HG LEU A 59 0.794 -8.863 0.972 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.418 -7.590 -1.131 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.159 -7.718 -0.784 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.419 -8.763 -2.020 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -1.128 -9.447 -0.420 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.120 -10.570 -1.363 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.446 -10.895 0.356 1.00 3.53 H new ATOM 960 N LYS A 60 4.593 -11.769 1.815 1.00 42.43 N ATOM 961 CA LYS A 60 5.711 -12.716 1.909 1.00 35.12 C ATOM 962 C LYS A 60 5.306 -13.980 2.658 1.00 40.54 C ATOM 963 O LYS A 60 5.966 -15.013 2.467 1.00 41.41 O ATOM 964 CB LYS A 60 6.912 -12.097 2.660 1.00 54.12 C ATOM 965 CG LYS A 60 8.105 -11.609 1.825 1.00 34.15 C ATOM 966 CD LYS A 60 8.095 -10.091 1.576 1.00 11.14 C ATOM 967 CE LYS A 60 9.514 -9.509 1.479 1.00 52.11 C ATOM 968 NZ LYS A 60 10.139 -9.289 2.804 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.776 -10.870 2.261 1.00 42.43 H new ATOM 0 HA LYS A 60 5.992 -12.958 0.884 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.543 -11.253 3.243 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.281 -12.837 3.370 1.00 54.12 H new ATOM 0 HG2 LYS A 60 9.030 -11.880 2.333 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.104 -12.127 0.866 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.554 -9.879 0.654 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.555 -9.596 2.383 1.00 11.14 H new ATOM 0 HE2 LYS A 60 10.139 -10.185 0.896 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.477 -8.563 0.939 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.087 -8.880 2.677 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.552 -8.636 3.361 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.218 -10.197 3.306 1.00 72.35 H new ATOM 982 N GLU A 61 4.276 -13.909 3.500 1.00 54.21 N ATOM 983 CA GLU A 61 3.838 -15.033 4.298 1.00 54.40 C ATOM 984 C GLU A 61 3.378 -16.157 3.379 1.00 62.01 C ATOM 985 O GLU A 61 3.708 -17.324 3.596 1.00 3.42 O ATOM 986 CB GLU A 61 2.679 -14.598 5.200 1.00 64.41 C ATOM 987 CG GLU A 61 2.529 -15.586 6.353 1.00 21.14 C ATOM 988 CD GLU A 61 1.243 -15.410 7.159 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.486 -14.427 6.977 1.00 3.14 O ATOM 990 OE2 GLU A 61 0.952 -16.288 8.005 1.00 63.12 O1- ATOM 0 H GLU A 61 3.725 -13.062 3.642 1.00 54.21 H new ATOM 0 HA GLU A 61 4.663 -15.386 4.916 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.863 -13.596 5.588 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.754 -14.552 4.625 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.560 -16.600 5.955 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.383 -15.480 7.022 1.00 21.14 H new ATOM 997 N TYR A 62 2.616 -15.804 2.341 1.00 60.23 N ATOM 998 CA TYR A 62 1.952 -16.828 1.556 1.00 13.04 C ATOM 999 C TYR A 62 2.948 -17.511 0.628 1.00 13.02 C ATOM 1000 O TYR A 62 3.865 -16.864 0.116 1.00 51.53 O ATOM 1001 CB TYR A 62 0.792 -16.252 0.753 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.192 -15.421 1.544 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.996 -16.049 2.504 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.294 -14.034 1.335 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.912 -15.307 3.261 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.173 -13.270 2.132 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.991 -13.907 3.099 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.854 -13.190 3.874 1.00 10.34 O ATOM 0 H TYR A 62 2.451 -14.845 2.037 1.00 60.23 H new ATOM 0 HA TYR A 62 1.545 -17.566 2.247 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.198 -15.637 -0.051 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.253 -17.075 0.284 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.909 -17.114 2.662 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.298 -13.556 0.568 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.558 -15.806 3.968 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.223 -12.199 2.005 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.721 -13.122 3.421 1.00 10.34 H new ATOM 1018 N THR A 63 2.736 -18.796 0.349 1.00 43.11 N ATOM 1019 CA THR A 63 3.647 -19.561 -0.492 1.00 35.33 C ATOM 1020 C THR A 63 3.028 -19.833 -1.869 1.00 12.01 C ATOM 1021 O THR A 63 3.687 -19.598 -2.888 1.00 41.13 O ATOM 1022 CB THR A 63 4.125 -20.816 0.260 1.00 2.33 C ATOM 1023 OG1 THR A 63 3.063 -21.705 0.543 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.803 -20.457 1.589 1.00 31.03 C ATOM 0 H THR A 63 1.938 -19.328 0.696 1.00 43.11 H new ATOM 0 HA THR A 63 4.543 -18.977 -0.702 1.00 35.33 H new ATOM 0 HB THR A 63 4.839 -21.300 -0.406 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.410 -22.488 1.019 1.00 32.45 H new ATOM 0 HG21 THR A 63 5.127 -21.369 2.090 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.668 -19.822 1.396 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.097 -19.924 2.226 1.00 31.03 H new ATOM 1032 N ASN A 64 1.772 -20.302 -1.925 1.00 22.12 N ATOM 1033 CA ASN A 64 1.155 -20.693 -3.195 1.00 20.34 C ATOM 1034 C ASN A 64 1.027 -19.495 -4.130 1.00 62.22 C ATOM 1035 O ASN A 64 0.686 -18.404 -3.658 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.241 -21.305 -2.992 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.269 -22.813 -3.200 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.385 -23.362 -4.087 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.068 -23.497 -2.411 1.00 53.22 N ATOM 0 H ASN A 64 1.170 -20.418 -1.110 1.00 22.12 H new ATOM 0 HA ASN A 64 1.810 -21.444 -3.638 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.588 -21.077 -1.984 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.941 -20.836 -3.684 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.157 -24.507 -2.526 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.599 -23.018 -1.684 1.00 53.22 H new ATOM 1046 N PRO A 65 1.191 -19.690 -5.453 1.00 2.25 N ATOM 1047 CA PRO A 65 1.159 -18.600 -6.406 1.00 15.53 C ATOM 1048 C PRO A 65 -0.217 -17.969 -6.530 1.00 14.03 C ATOM 1049 O PRO A 65 -0.290 -16.772 -6.775 1.00 64.50 O ATOM 1050 CB PRO A 65 1.645 -19.170 -7.726 1.00 31.12 C ATOM 1051 CG PRO A 65 1.458 -20.675 -7.624 1.00 31.01 C ATOM 1052 CD PRO A 65 1.539 -20.936 -6.122 1.00 54.11 C ATOM 0 HA PRO A 65 1.802 -17.786 -6.071 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.076 -18.761 -8.561 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.691 -18.917 -7.899 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.500 -20.990 -8.036 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.233 -21.215 -8.169 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.855 -21.733 -5.832 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.542 -21.258 -5.840 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.290 -18.731 -6.336 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.634 -18.169 -6.231 1.00 32.01 C ATOM 1062 C GLU A 66 -2.732 -17.207 -5.058 1.00 34.31 C ATOM 1063 O GLU A 66 -3.226 -16.098 -5.229 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.684 -19.271 -6.053 1.00 33.45 C ATOM 1065 CG GLU A 66 -4.272 -19.649 -7.416 1.00 24.12 C ATOM 1066 CD GLU A 66 -5.021 -20.962 -7.326 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -4.333 -21.990 -7.112 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -6.265 -20.950 -7.366 1.00 0.13 O ATOM 0 H GLU A 66 -1.254 -19.747 -6.248 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.828 -17.633 -7.160 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.231 -20.146 -5.586 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.476 -18.928 -5.387 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -4.945 -18.863 -7.759 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -3.473 -19.729 -8.153 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.289 -17.622 -3.869 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.519 -16.830 -2.677 1.00 44.41 C ATOM 1077 C GLN A 67 -1.746 -15.527 -2.767 1.00 71.14 C ATOM 1078 O GLN A 67 -2.346 -14.463 -2.639 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.152 -17.594 -1.398 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.391 -17.670 -0.503 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.126 -18.082 0.941 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -3.741 -17.546 1.856 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.231 -19.024 1.203 1.00 3.24 N ATOM 0 H GLN A 67 -1.777 -18.491 -3.715 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.585 -16.612 -2.620 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.800 -18.596 -1.644 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.339 -17.090 -0.876 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.879 -16.695 -0.502 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.094 -18.378 -0.943 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -1.720 -19.469 0.440 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.053 -19.304 2.167 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.433 -15.608 -3.001 1.00 1.22 N ATOM 1093 CA ILE A 68 0.385 -14.423 -3.216 1.00 12.50 C ATOM 1094 C ILE A 68 -0.254 -13.547 -4.303 1.00 71.12 C ATOM 1095 O ILE A 68 -0.442 -12.369 -4.040 1.00 55.41 O ATOM 1096 CB ILE A 68 1.874 -14.734 -3.475 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.092 -15.662 -4.672 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.574 -15.339 -2.258 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.518 -14.890 -5.916 1.00 33.44 C ATOM 0 H ILE A 68 0.082 -16.487 -3.045 1.00 1.22 H new ATOM 0 HA ILE A 68 0.402 -13.855 -2.286 1.00 12.50 H new ATOM 0 HB ILE A 68 2.316 -13.763 -3.695 1.00 33.42 H new ATOM 0 HG12 ILE A 68 2.853 -16.402 -4.425 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.172 -16.209 -4.881 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.618 -15.537 -2.500 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.521 -14.640 -1.423 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.083 -16.272 -1.982 1.00 13.44 H new ATOM 0 HD11 ILE A 68 2.663 -15.585 -6.743 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.745 -14.168 -6.179 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.452 -14.364 -5.716 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.637 -14.076 -5.478 1.00 64.12 N ATOM 1112 CA LYS A 69 -1.199 -13.299 -6.593 1.00 12.30 C ATOM 1113 C LYS A 69 -2.461 -12.567 -6.159 1.00 53.31 C ATOM 1114 O LYS A 69 -2.566 -11.354 -6.354 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.502 -14.261 -7.754 1.00 34.45 C ATOM 1116 CG LYS A 69 -2.122 -13.691 -9.039 1.00 41.45 C ATOM 1117 CD LYS A 69 -1.061 -13.170 -10.023 1.00 30.22 C ATOM 1118 CE LYS A 69 -1.437 -13.360 -11.501 1.00 41.34 C ATOM 1119 NZ LYS A 69 -1.638 -14.778 -11.874 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.563 -15.073 -5.682 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.479 -12.547 -6.915 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.569 -14.754 -8.027 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -2.173 -15.033 -7.377 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.716 -14.464 -9.526 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -2.803 -12.880 -8.781 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.894 -12.110 -9.834 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.118 -13.681 -9.829 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -2.350 -12.803 -11.711 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -0.652 -12.934 -12.126 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -1.552 -14.881 -12.905 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -0.919 -15.365 -11.406 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -2.585 -15.085 -11.573 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.418 -13.309 -5.609 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.722 -12.802 -5.252 1.00 72.22 C ATOM 1135 C GLN A 70 -4.573 -11.754 -4.161 1.00 73.44 C ATOM 1136 O GLN A 70 -5.048 -10.632 -4.332 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.617 -13.963 -4.807 1.00 55.12 C ATOM 1138 CG GLN A 70 -7.088 -13.569 -4.706 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.676 -13.064 -6.024 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.715 -13.785 -7.011 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -8.091 -11.808 -6.125 1.00 61.54 N ATOM 0 H GLN A 70 -3.297 -14.300 -5.398 1.00 15.42 H new ATOM 0 HA GLN A 70 -5.194 -12.327 -6.113 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.514 -14.787 -5.513 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.276 -14.328 -3.838 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.664 -14.430 -4.367 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.197 -12.793 -3.948 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.064 -11.195 -5.310 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.437 -11.455 -7.017 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.903 -12.084 -3.054 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.704 -11.155 -1.960 1.00 1.41 C ATOM 1152 C TRP A 71 -2.942 -9.914 -2.439 1.00 43.13 C ATOM 1153 O TRP A 71 -3.324 -8.797 -2.095 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.023 -11.855 -0.787 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.892 -12.772 0.010 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.701 -14.096 0.202 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.068 -12.421 0.802 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.644 -14.570 1.085 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.521 -13.588 1.479 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.791 -11.228 1.019 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.643 -13.576 2.319 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.912 -11.196 1.866 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.340 -12.374 2.502 1.00 10.30 C ATOM 0 H TRP A 71 -3.488 -13.003 -2.900 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.672 -10.806 -1.601 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.177 -12.426 -1.169 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.618 -11.095 -0.119 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.929 -14.689 -0.265 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.687 -15.536 1.409 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.476 -10.321 0.524 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -6.965 -14.478 2.817 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.443 -10.269 2.028 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.213 -12.353 3.137 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.920 -10.078 -3.289 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.124 -8.988 -3.868 1.00 44.24 C ATOM 1176 C ARG A 72 -1.980 -8.029 -4.714 1.00 25.40 C ATOM 1177 O ARG A 72 -1.522 -6.951 -5.107 1.00 72.43 O ATOM 1178 CB ARG A 72 0.003 -9.611 -4.706 1.00 20.22 C ATOM 1179 CG ARG A 72 0.887 -8.693 -5.543 1.00 24.51 C ATOM 1180 CD ARG A 72 1.548 -7.570 -4.737 1.00 4.10 C ATOM 1181 NE ARG A 72 2.940 -7.418 -5.157 1.00 14.41 N ATOM 1182 CZ ARG A 72 3.341 -6.798 -6.262 1.00 35.32 C ATOM 1183 NH1 ARG A 72 2.513 -5.994 -6.929 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 4.570 -7.023 -6.691 1.00 74.24 N ATOM 0 H ARG A 72 -1.615 -11.000 -3.602 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.705 -8.385 -3.062 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.651 -10.166 -4.028 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.450 -10.338 -5.380 1.00 20.22 H new ATOM 0 HG2 ARG A 72 1.663 -9.289 -6.022 1.00 24.51 H new ATOM 0 HG3 ARG A 72 0.287 -8.252 -6.339 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.008 -6.635 -4.887 1.00 4.10 H new ATOM 0 HD3 ARG A 72 1.502 -7.797 -3.672 1.00 4.10 H new ATOM 0 HE ARG A 72 3.659 -7.819 -4.555 1.00 14.41 H new ATOM 0 HH11 ARG A 72 1.561 -5.850 -6.592 1.00 54.04 H new ATOM 0 HH12 ARG A 72 2.831 -5.523 -7.776 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.181 -7.658 -6.177 1.00 74.24 H new ATOM 0 HH22 ARG A 72 4.908 -6.562 -7.536 1.00 74.24 H new ATOM 1198 N LYS A 73 -3.198 -8.406 -5.097 1.00 64.24 N ATOM 1199 CA LYS A 73 -4.182 -7.500 -5.663 1.00 2.53 C ATOM 1200 C LYS A 73 -5.064 -7.026 -4.517 1.00 1.23 C ATOM 1201 O LYS A 73 -5.159 -5.822 -4.310 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.971 -8.182 -6.797 1.00 34.23 C ATOM 1203 CG LYS A 73 -4.350 -7.934 -8.184 1.00 63.11 C ATOM 1204 CD LYS A 73 -3.052 -8.703 -8.485 1.00 42.23 C ATOM 1205 CE LYS A 73 -2.533 -8.239 -9.856 1.00 22.32 C ATOM 1206 NZ LYS A 73 -1.783 -9.270 -10.604 1.00 41.12 N1+ ATOM 0 H LYS A 73 -3.530 -9.367 -5.019 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.708 -6.636 -6.128 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.015 -9.255 -6.609 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.997 -7.815 -6.792 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -5.088 -8.194 -8.943 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -4.150 -6.867 -8.286 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -2.308 -8.513 -7.711 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -3.238 -9.777 -8.491 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -3.379 -7.912 -10.460 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -1.890 -7.371 -9.713 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -1.469 -8.878 -11.515 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -0.954 -9.567 -10.050 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -2.398 -10.091 -10.774 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.678 -7.942 -3.770 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.720 -7.662 -2.789 1.00 31.13 C ATOM 1222 C ASN A 74 -6.309 -6.573 -1.795 1.00 50.53 C ATOM 1223 O ASN A 74 -7.096 -5.667 -1.531 1.00 74.44 O ATOM 1224 CB ASN A 74 -7.125 -8.945 -2.030 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.824 -10.001 -2.884 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.126 -9.791 -4.053 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.094 -11.173 -2.333 1.00 4.44 N ATOM 0 H ASN A 74 -5.454 -8.935 -3.835 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.580 -7.291 -3.347 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.231 -9.387 -1.590 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.784 -8.670 -1.206 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.553 -11.901 -2.881 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.843 -11.349 -1.360 1.00 4.44 H new ATOM 1234 N LEU A 75 -5.087 -6.642 -1.257 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.519 -5.649 -0.340 1.00 4.53 C ATOM 1236 C LEU A 75 -4.453 -4.284 -1.018 1.00 24.52 C ATOM 1237 O LEU A 75 -4.999 -3.308 -0.504 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.118 -6.086 0.110 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.072 -6.983 1.356 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.903 -8.262 1.239 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.605 -7.331 1.612 1.00 54.21 C ATOM 0 H LEU A 75 -4.448 -7.412 -1.453 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.161 -5.573 0.537 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.639 -6.615 -0.714 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.523 -5.193 0.304 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.516 -6.431 2.185 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.816 -8.838 2.160 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -4.948 -8.003 1.070 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.538 -8.858 0.403 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -1.531 -7.969 2.492 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.199 -7.857 0.747 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.038 -6.415 1.779 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.801 -4.210 -2.178 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.712 -2.979 -2.945 1.00 2.42 C ATOM 1255 C TRP A 76 -5.105 -2.393 -3.238 1.00 30.11 C ATOM 1256 O TRP A 76 -5.251 -1.174 -3.197 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.865 -3.207 -4.215 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.382 -2.994 -4.054 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.398 -3.818 -4.486 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.687 -1.848 -3.470 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.837 -3.325 -4.103 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.718 -2.096 -3.497 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -1.105 -0.617 -2.927 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.655 -1.192 -2.974 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 -0.171 0.308 -2.421 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.203 0.017 -2.426 1.00 33.11 C ATOM 0 H TRP A 76 -3.323 -5.002 -2.607 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.199 -2.224 -2.349 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.032 -4.226 -4.564 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.227 -2.539 -4.997 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.554 -4.727 -5.047 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.722 -3.811 -4.251 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -2.158 -0.379 -2.898 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.710 -1.424 -2.993 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.515 1.252 -2.025 1.00 54.41 H new ATOM 0 HH2 TRP A 76 1.908 0.721 -2.010 1.00 33.11 H new ATOM 1277 N ILE A 77 -6.128 -3.214 -3.504 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.492 -2.757 -3.803 1.00 32.02 C ATOM 1279 C ILE A 77 -8.187 -2.281 -2.525 1.00 35.11 C ATOM 1280 O ILE A 77 -8.985 -1.348 -2.584 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.307 -3.861 -4.523 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.596 -4.252 -5.831 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.735 -3.392 -4.872 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.104 -5.563 -6.439 1.00 32.44 C ATOM 0 H ILE A 77 -6.031 -4.229 -3.518 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.431 -1.909 -4.486 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.376 -4.710 -3.842 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.725 -3.450 -6.558 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.526 -4.340 -5.641 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.270 -4.198 -5.375 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.263 -3.122 -3.957 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.682 -2.525 -5.530 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.557 -5.774 -7.358 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.950 -6.377 -5.730 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.167 -5.473 -6.662 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.917 -2.895 -1.373 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.404 -2.407 -0.081 1.00 71.52 C ATOM 1298 C PHE A 78 -7.929 -0.973 0.143 1.00 63.24 C ATOM 1299 O PHE A 78 -8.732 -0.080 0.407 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.948 -3.316 1.070 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.330 -2.794 2.448 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.686 -2.710 2.814 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.344 -2.407 3.379 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -10.062 -2.242 4.084 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.725 -1.913 4.637 1.00 12.10 C ATOM 1306 CZ PHE A 78 -9.081 -1.832 4.999 1.00 25.55 C ATOM 0 H PHE A 78 -7.355 -3.744 -1.308 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.494 -2.423 -0.097 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.382 -4.307 0.933 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.865 -3.433 1.022 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.448 -3.009 2.109 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.298 -2.490 3.125 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -11.106 -2.198 4.356 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -6.967 -1.591 5.335 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.365 -1.458 5.972 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.621 -0.775 0.021 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.955 0.499 0.254 1.00 72.11 C ATOM 1318 C VAL A 79 -6.483 1.537 -0.736 1.00 63.14 C ATOM 1319 O VAL A 79 -6.764 2.659 -0.324 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.432 0.272 0.191 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.597 1.551 0.263 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -4.012 -0.628 1.365 1.00 22.13 C ATOM 0 H VAL A 79 -5.977 -1.518 -0.251 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.172 0.899 1.244 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.239 -0.183 -0.781 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.538 1.298 0.212 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.855 2.202 -0.573 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.802 2.067 1.201 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.935 -0.794 1.329 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.273 -0.144 2.306 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.530 -1.585 1.293 1.00 22.13 H new ATOM 1332 N SER A 80 -6.706 1.136 -1.990 1.00 34.12 N ATOM 1333 CA SER A 80 -7.232 1.955 -3.076 1.00 61.41 C ATOM 1334 C SER A 80 -8.616 2.570 -2.802 1.00 21.53 C ATOM 1335 O SER A 80 -9.086 3.312 -3.668 1.00 43.34 O ATOM 1336 CB SER A 80 -7.268 1.084 -4.339 1.00 54.34 C ATOM 1337 OG SER A 80 -7.589 1.799 -5.511 1.00 43.03 O ATOM 0 H SER A 80 -6.513 0.180 -2.287 1.00 34.12 H new ATOM 0 HA SER A 80 -6.571 2.813 -3.193 1.00 61.41 H new ATOM 0 HB2 SER A 80 -6.296 0.608 -4.469 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.998 0.286 -4.199 1.00 54.34 H new ATOM 0 HG SER A 80 -8.206 2.528 -5.291 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.313 2.257 -1.699 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.524 3.006 -1.337 1.00 53.15 C ATOM 1345 C LYS A 81 -10.166 4.301 -0.620 1.00 44.31 C ATOM 1346 O LYS A 81 -10.821 5.312 -0.851 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.484 2.177 -0.463 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.507 1.416 -1.314 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.945 0.174 -2.002 1.00 70.23 C ATOM 1350 CE LYS A 81 -11.946 -0.999 -1.027 1.00 21.01 C ATOM 1351 NZ LYS A 81 -11.552 -2.233 -1.722 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.065 1.506 -1.055 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.038 3.239 -2.270 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.912 1.470 0.137 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.006 2.836 0.231 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -13.343 1.120 -0.680 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.905 2.090 -2.073 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -12.544 -0.070 -2.880 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -10.931 0.368 -2.352 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.258 -0.800 -0.205 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.938 -1.119 -0.591 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -11.391 -2.988 -1.025 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -12.309 -2.520 -2.375 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -10.677 -2.065 -2.259 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.160 4.260 0.250 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.727 5.358 1.105 1.00 3.11 C ATOM 1367 C PHE A 82 -7.624 6.164 0.421 1.00 61.04 C ATOM 1368 O PHE A 82 -6.601 6.463 1.035 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.246 4.784 2.445 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.355 4.223 3.308 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.919 2.968 3.009 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.863 4.984 4.376 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -10.999 2.486 3.765 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.913 4.480 5.161 1.00 11.10 C ATOM 1375 CZ PHE A 82 -11.490 3.234 4.850 1.00 61.24 C ATOM 0 H PHE A 82 -8.599 3.419 0.383 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.561 6.036 1.287 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.517 3.997 2.251 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.729 5.567 2.999 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.521 2.376 2.198 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -9.446 5.956 4.593 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.454 1.539 3.513 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -11.278 5.049 6.004 1.00 11.10 H new ATOM 0 HZ PHE A 82 -12.308 2.853 5.443 1.00 61.24 H new ATOM 1385 N THR A 83 -7.772 6.459 -0.862 1.00 61.12 N ATOM 1386 CA THR A 83 -6.858 7.328 -1.573 1.00 12.22 C ATOM 1387 C THR A 83 -7.576 7.802 -2.836 1.00 51.24 C ATOM 1388 O THR A 83 -8.656 7.318 -3.181 1.00 21.11 O ATOM 1389 CB THR A 83 -5.514 6.604 -1.842 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.644 7.387 -2.639 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.711 5.240 -2.495 1.00 21.44 C ATOM 0 H THR A 83 -8.533 6.099 -1.437 1.00 61.12 H new ATOM 0 HA THR A 83 -6.587 8.204 -0.984 1.00 12.22 H new ATOM 0 HB THR A 83 -5.057 6.454 -0.864 1.00 21.14 H new ATOM 0 HG1 THR A 83 -3.755 6.975 -2.654 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.740 4.773 -2.663 1.00 21.44 H new ATOM 0 HG22 THR A 83 -6.310 4.606 -1.841 1.00 21.44 H new ATOM 0 HG23 THR A 83 -6.224 5.364 -3.449 1.00 21.44 H new ATOM 1399 N GLU A 84 -6.943 8.741 -3.526 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.267 9.170 -4.872 1.00 74.01 C ATOM 1401 C GLU A 84 -6.558 8.269 -5.897 1.00 43.32 C ATOM 1402 O GLU A 84 -6.989 8.188 -7.047 1.00 63.43 O ATOM 1403 CB GLU A 84 -6.781 10.621 -5.022 1.00 14.25 C ATOM 1404 CG GLU A 84 -7.499 11.574 -4.048 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.780 12.913 -3.883 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -6.261 13.457 -4.887 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -6.699 13.378 -2.715 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.148 9.248 -3.138 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.341 9.104 -5.049 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -5.706 10.663 -4.845 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -6.948 10.955 -6.046 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -8.513 11.754 -4.406 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -7.585 11.092 -3.074 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.466 7.601 -5.512 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.604 6.829 -6.393 1.00 60.43 C ATOM 1416 C PHE A 85 -5.071 5.378 -6.450 1.00 31.05 C ATOM 1417 O PHE A 85 -5.027 4.672 -5.446 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.157 6.906 -5.883 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.459 8.210 -6.211 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.886 8.388 -7.481 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.394 9.251 -5.267 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -1.183 9.570 -7.780 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.699 10.435 -5.564 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.077 10.589 -6.815 1.00 71.12 C ATOM 0 H PHE A 85 -5.152 7.587 -4.542 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.652 7.243 -7.400 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.155 6.766 -4.802 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.587 6.082 -6.312 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -1.985 7.616 -8.230 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.881 9.139 -4.309 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -0.725 9.695 -8.750 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -1.643 11.227 -4.831 1.00 70.20 H new ATOM 0 HZ PHE A 85 -0.519 11.487 -7.035 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.461 4.911 -7.639 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.877 3.518 -7.816 1.00 42.44 C ATOM 1436 C ASP A 86 -4.765 2.580 -7.388 1.00 50.23 C ATOM 1437 O ASP A 86 -3.586 2.892 -7.538 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.181 3.152 -9.277 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.654 2.942 -9.559 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.236 2.014 -8.954 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -8.170 3.630 -10.463 1.00 54.44 O ATOM 0 H ASP A 86 -5.497 5.474 -8.489 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.779 3.414 -7.213 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.805 3.943 -9.926 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.638 2.243 -9.535 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.141 1.337 -7.108 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.240 0.206 -6.871 1.00 54.34 C ATOM 1448 C ALA A 87 -3.209 0.054 -8.003 1.00 42.15 C ATOM 1449 O ALA A 87 -2.079 -0.410 -7.809 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.083 -1.071 -6.768 1.00 13.05 C ATOM 0 H ALA A 87 -6.124 1.075 -7.036 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.690 0.384 -5.947 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.429 -1.925 -6.591 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.788 -0.976 -5.942 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.632 -1.220 -7.698 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.616 0.427 -9.217 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.804 0.433 -10.424 1.00 71.23 C ATOM 1458 C ARG A 88 -1.717 1.507 -10.352 1.00 35.22 C ATOM 1459 O ARG A 88 -0.581 1.235 -10.740 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.751 0.615 -11.624 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.363 -0.208 -12.861 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.458 0.556 -13.833 1.00 12.42 C ATOM 1463 NE ARG A 88 -2.474 -0.067 -15.161 1.00 52.53 N ATOM 1464 CZ ARG A 88 -3.433 0.081 -16.087 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -4.539 0.775 -15.821 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -3.292 -0.478 -17.284 1.00 13.42 N ATOM 0 H ARG A 88 -4.569 0.748 -9.388 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.269 -0.510 -10.536 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -4.761 0.340 -11.321 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.776 1.670 -11.896 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -2.855 -1.117 -12.540 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.269 -0.516 -13.383 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -2.790 1.591 -13.908 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -1.438 0.576 -13.448 1.00 12.42 H new ATOM 0 HE ARG A 88 -1.685 -0.667 -15.402 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -4.665 1.202 -14.903 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -5.260 0.879 -16.535 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -2.455 -1.020 -17.499 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -4.021 -0.366 -17.988 1.00 13.42 H new ATOM 1480 N LYS A 89 -2.030 2.708 -9.857 1.00 15.10 N ATOM 1481 CA LYS A 89 -1.059 3.786 -9.662 1.00 14.14 C ATOM 1482 C LYS A 89 -0.196 3.444 -8.452 1.00 2.34 C ATOM 1483 O LYS A 89 1.029 3.453 -8.545 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.737 5.160 -9.441 1.00 41.42 C ATOM 1485 CG LYS A 89 -3.089 5.406 -10.129 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.078 5.398 -11.659 1.00 64.32 C ATOM 1487 CE LYS A 89 -2.493 6.702 -12.210 1.00 13.54 C ATOM 1488 NZ LYS A 89 -2.555 6.735 -13.681 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.978 2.961 -9.577 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.456 3.868 -10.566 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -1.876 5.297 -8.369 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.045 5.933 -9.774 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -3.791 4.646 -9.787 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -3.474 6.369 -9.794 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -2.492 4.552 -12.018 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.093 5.264 -12.033 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.041 7.551 -11.801 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -1.458 6.805 -11.885 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -2.152 7.630 -14.025 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -2.011 5.938 -14.069 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -3.546 6.661 -13.988 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.831 3.131 -7.318 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.239 3.016 -5.990 1.00 62.33 C ATOM 1504 C LEU A 90 0.959 2.073 -5.991 1.00 70.22 C ATOM 1505 O LEU A 90 2.009 2.409 -5.458 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.300 2.555 -4.969 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.565 3.573 -3.845 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.677 3.043 -2.936 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.302 3.942 -3.051 1.00 43.35 C ATOM 0 H LEU A 90 -1.833 2.940 -7.307 1.00 2.34 H new ATOM 0 HA LEU A 90 0.123 4.002 -5.697 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.234 2.357 -5.494 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.978 1.613 -4.525 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.890 4.505 -4.307 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.868 3.761 -2.138 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.586 2.899 -3.520 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.370 2.092 -2.502 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.558 4.663 -2.275 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.113 3.045 -2.591 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.436 4.380 -3.724 1.00 43.35 H new ATOM 1521 N HIS A 91 0.845 0.910 -6.630 1.00 11.24 N ATOM 1522 CA HIS A 91 1.947 -0.042 -6.742 1.00 44.30 C ATOM 1523 C HIS A 91 3.166 0.546 -7.500 1.00 65.40 C ATOM 1524 O HIS A 91 4.312 0.262 -7.131 1.00 62.10 O ATOM 1525 CB HIS A 91 1.386 -1.331 -7.371 1.00 74.21 C ATOM 1526 CG HIS A 91 2.391 -2.391 -7.752 1.00 23.33 C ATOM 1527 ND1 HIS A 91 3.626 -2.606 -7.187 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.259 -3.273 -8.789 1.00 63.15 C ATOM 1529 CE1 HIS A 91 4.259 -3.530 -7.921 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.464 -3.979 -8.910 1.00 10.32 N ATOM 0 H HIS A 91 -0.014 0.602 -7.085 1.00 11.24 H new ATOM 0 HA HIS A 91 2.347 -0.275 -5.755 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.676 -1.771 -6.670 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.824 -1.058 -8.264 1.00 74.21 H new ATOM 0 HD2 HIS A 91 1.382 -3.403 -9.405 1.00 63.15 H new ATOM 0 HE1 HIS A 91 5.269 -3.869 -7.744 1.00 30.45 H new ATOM 0 HE2 HIS A 91 3.692 -4.689 -9.606 1.00 10.32 H new ATOM 1538 N LYS A 92 2.987 1.382 -8.537 1.00 0.33 N ATOM 1539 CA LYS A 92 4.106 2.123 -9.152 1.00 62.41 C ATOM 1540 C LYS A 92 4.595 3.242 -8.242 1.00 4.02 C ATOM 1541 O LYS A 92 5.801 3.509 -8.212 1.00 61.24 O ATOM 1542 CB LYS A 92 3.754 2.685 -10.547 1.00 22.30 C ATOM 1543 CG LYS A 92 4.039 1.665 -11.661 1.00 2.40 C ATOM 1544 CD LYS A 92 4.047 2.308 -13.058 1.00 24.33 C ATOM 1545 CE LYS A 92 4.410 1.253 -14.114 1.00 65.23 C ATOM 1546 NZ LYS A 92 5.737 1.480 -14.725 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.080 1.563 -8.968 1.00 0.33 H new ATOM 0 HA LYS A 92 4.911 1.400 -9.286 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.701 2.965 -10.571 1.00 22.30 H new ATOM 0 HB3 LYS A 92 4.329 3.593 -10.729 1.00 22.30 H new ATOM 0 HG2 LYS A 92 5.003 1.190 -11.477 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.285 0.878 -11.631 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.068 2.734 -13.278 1.00 24.33 H new ATOM 0 HD3 LYS A 92 4.765 3.127 -13.087 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.392 0.265 -13.654 1.00 65.23 H new ATOM 0 HE3 LYS A 92 3.651 1.254 -14.896 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 5.927 0.738 -15.429 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 5.750 2.410 -15.190 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 6.469 1.452 -13.986 1.00 43.32 H new ATOM 1560 N LEU A 93 3.693 3.898 -7.516 1.00 63.33 N ATOM 1561 CA LEU A 93 4.007 4.957 -6.566 1.00 20.11 C ATOM 1562 C LEU A 93 4.960 4.397 -5.506 1.00 43.43 C ATOM 1563 O LEU A 93 6.081 4.887 -5.360 1.00 62.13 O ATOM 1564 CB LEU A 93 2.697 5.530 -5.977 1.00 1.11 C ATOM 1565 CG LEU A 93 2.755 7.037 -5.670 1.00 52.21 C ATOM 1566 CD1 LEU A 93 2.733 7.879 -6.956 1.00 23.33 C ATOM 1567 CD2 LEU A 93 1.554 7.434 -4.809 1.00 24.41 C ATOM 0 H LEU A 93 2.694 3.700 -7.576 1.00 63.33 H new ATOM 0 HA LEU A 93 4.515 5.790 -7.052 1.00 20.11 H new ATOM 0 HB2 LEU A 93 1.883 5.344 -6.678 1.00 1.11 H new ATOM 0 HB3 LEU A 93 2.457 4.992 -5.060 1.00 1.11 H new ATOM 0 HG LEU A 93 3.689 7.229 -5.142 1.00 52.21 H new ATOM 0 HD11 LEU A 93 2.775 8.937 -6.699 1.00 23.33 H new ATOM 0 HD12 LEU A 93 3.593 7.621 -7.574 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.815 7.676 -7.508 1.00 23.33 H new ATOM 0 HD21 LEU A 93 1.598 8.502 -4.593 1.00 24.41 H new ATOM 0 HD22 LEU A 93 0.632 7.210 -5.345 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.575 6.874 -3.874 1.00 24.41 H new ATOM 1579 N TYR A 94 4.556 3.320 -4.828 1.00 62.42 N ATOM 1580 CA TYR A 94 5.350 2.624 -3.829 1.00 42.52 C ATOM 1581 C TYR A 94 6.658 2.117 -4.421 1.00 73.20 C ATOM 1582 O TYR A 94 7.706 2.502 -3.905 1.00 63.02 O ATOM 1583 CB TYR A 94 4.561 1.479 -3.184 1.00 5.32 C ATOM 1584 CG TYR A 94 5.416 0.633 -2.257 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.042 1.223 -1.145 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.606 -0.735 -2.513 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.863 0.457 -0.290 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.426 -1.509 -1.673 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.078 -0.912 -0.570 1.00 54.02 C ATOM 1590 OH TYR A 94 7.900 -1.680 0.199 1.00 52.45 O ATOM 0 H TYR A 94 3.637 2.900 -4.968 1.00 62.42 H new ATOM 0 HA TYR A 94 5.591 3.343 -3.046 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.722 1.891 -2.624 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.142 0.845 -3.966 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.893 2.273 -0.943 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.119 -1.195 -3.360 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.324 0.914 0.573 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.558 -2.562 -1.871 1.00 73.21 H new ATOM 0 HH TYR A 94 7.917 -2.594 -0.153 1.00 52.45 H new ATOM 1600 N LYS A 95 6.635 1.303 -5.493 1.00 41.45 N ATOM 1601 CA LYS A 95 7.878 0.731 -6.028 1.00 54.30 C ATOM 1602 C LYS A 95 8.884 1.840 -6.343 1.00 22.23 C ATOM 1603 O LYS A 95 10.046 1.694 -5.987 1.00 35.23 O ATOM 1604 CB LYS A 95 7.641 -0.220 -7.216 1.00 32.21 C ATOM 1605 CG LYS A 95 8.931 -0.972 -7.621 1.00 61.25 C ATOM 1606 CD LYS A 95 8.743 -1.991 -8.764 1.00 54.15 C ATOM 1607 CE LYS A 95 8.107 -3.320 -8.322 1.00 22.41 C ATOM 1608 NZ LYS A 95 9.102 -4.310 -7.849 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.789 1.033 -5.994 1.00 41.45 H new ATOM 0 HA LYS A 95 8.312 0.102 -5.251 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.867 -0.942 -6.954 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.270 0.350 -8.068 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.683 -0.242 -7.921 1.00 61.25 H new ATOM 0 HG3 LYS A 95 9.323 -1.493 -6.747 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.120 -1.542 -9.538 1.00 54.15 H new ATOM 0 HD3 LYS A 95 9.713 -2.197 -9.216 1.00 54.15 H new ATOM 0 HE2 LYS A 95 7.389 -3.125 -7.525 1.00 22.41 H new ATOM 0 HE3 LYS A 95 7.549 -3.744 -9.157 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 8.615 -5.184 -7.565 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 9.773 -4.521 -8.615 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 9.618 -3.921 -7.034 1.00 12.11 H new ATOM 1622 N HIS A 96 8.448 2.976 -6.904 1.00 2.14 N ATOM 1623 CA HIS A 96 9.301 4.148 -7.103 1.00 2.00 C ATOM 1624 C HIS A 96 9.883 4.657 -5.775 1.00 64.43 C ATOM 1625 O HIS A 96 11.095 4.858 -5.678 1.00 42.32 O ATOM 1626 CB HIS A 96 8.502 5.245 -7.827 1.00 24.51 C ATOM 1627 CG HIS A 96 9.221 6.559 -8.022 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.386 7.558 -7.082 1.00 42.35 N ATOM 1629 CD2 HIS A 96 9.758 7.014 -9.197 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.027 8.576 -7.677 1.00 43.34 C ATOM 1631 NE2 HIS A 96 10.231 8.311 -8.979 1.00 62.31 N ATOM 0 H HIS A 96 7.491 3.105 -7.232 1.00 2.14 H new ATOM 0 HA HIS A 96 10.150 3.862 -7.724 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.204 4.866 -8.805 1.00 24.51 H new ATOM 0 HB3 HIS A 96 7.587 5.433 -7.266 1.00 24.51 H new ATOM 0 HD2 HIS A 96 9.807 6.467 -10.127 1.00 62.44 H new ATOM 0 HE1 HIS A 96 10.336 9.483 -7.179 1.00 43.34 H new ATOM 0 HE2 HIS A 96 10.648 8.933 -9.671 1.00 62.31 H new ATOM 1639 N ALA A 97 9.026 4.888 -4.774 1.00 74.32 N ATOM 1640 CA ALA A 97 9.380 5.464 -3.480 1.00 62.11 C ATOM 1641 C ALA A 97 10.302 4.574 -2.633 1.00 21.45 C ATOM 1642 O ALA A 97 11.005 5.106 -1.771 1.00 62.01 O ATOM 1643 CB ALA A 97 8.099 5.785 -2.702 1.00 12.11 C ATOM 0 H ALA A 97 8.032 4.670 -4.850 1.00 74.32 H new ATOM 0 HA ALA A 97 9.948 6.372 -3.685 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.359 6.215 -1.735 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.499 6.498 -3.267 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.527 4.870 -2.550 1.00 12.11 H new ATOM 1649 N ILE A 98 10.335 3.256 -2.859 1.00 4.01 N ATOM 1650 CA ILE A 98 11.373 2.393 -2.296 1.00 65.43 C ATOM 1651 C ILE A 98 12.601 2.376 -3.209 1.00 70.52 C ATOM 1652 O ILE A 98 13.700 2.591 -2.713 1.00 31.14 O ATOM 1653 CB ILE A 98 10.827 0.997 -1.931 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.930 0.209 -1.196 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.233 0.210 -3.106 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.502 -1.178 -0.721 1.00 25.45 C ATOM 0 H ILE A 98 9.649 2.764 -3.432 1.00 4.01 H new ATOM 0 HA ILE A 98 11.706 2.809 -1.345 1.00 65.43 H new ATOM 0 HB ILE A 98 9.972 1.146 -1.272 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.789 0.104 -1.859 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.262 0.789 -0.335 1.00 72.03 H new ATOM 0 HG21 ILE A 98 9.876 -0.757 -2.753 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.402 0.769 -3.535 1.00 12.03 H new ATOM 0 HG23 ILE A 98 10.999 0.058 -3.866 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.337 -1.663 -0.215 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.664 -1.084 -0.030 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.199 -1.779 -1.579 1.00 25.45 H new ATOM 1668 N LYS A 99 12.422 2.192 -4.526 1.00 65.44 N ATOM 1669 CA LYS A 99 13.501 2.150 -5.527 1.00 2.32 C ATOM 1670 C LYS A 99 14.511 3.271 -5.310 1.00 44.52 C ATOM 1671 O LYS A 99 15.699 2.986 -5.324 1.00 12.43 O ATOM 1672 CB LYS A 99 12.955 2.219 -6.968 1.00 70.12 C ATOM 1673 CG LYS A 99 12.615 0.861 -7.613 1.00 70.31 C ATOM 1674 CD LYS A 99 13.803 0.331 -8.426 1.00 52.12 C ATOM 1675 CE LYS A 99 13.517 -0.994 -9.151 1.00 11.33 C ATOM 1676 NZ LYS A 99 14.573 -1.331 -10.139 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.497 2.065 -4.936 1.00 65.44 H new ATOM 0 HA LYS A 99 14.004 1.192 -5.394 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.057 2.837 -6.969 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.691 2.725 -7.593 1.00 70.12 H new ATOM 0 HG2 LYS A 99 12.349 0.142 -6.838 1.00 70.31 H new ATOM 0 HG3 LYS A 99 11.745 0.969 -8.260 1.00 70.31 H new ATOM 0 HD2 LYS A 99 14.092 1.082 -9.162 1.00 52.12 H new ATOM 0 HD3 LYS A 99 14.655 0.193 -7.760 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.437 -1.797 -8.419 1.00 11.33 H new ATOM 0 HE3 LYS A 99 12.554 -0.928 -9.658 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 14.339 -2.232 -10.604 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 14.633 -0.578 -10.854 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 15.488 -1.420 -9.653 1.00 60.11 H new ATOM 1690 N LYS A 100 14.057 4.512 -5.070 1.00 42.13 N ATOM 1691 CA LYS A 100 14.969 5.626 -4.794 1.00 4.50 C ATOM 1692 C LYS A 100 15.981 5.304 -3.693 1.00 64.53 C ATOM 1693 O LYS A 100 17.176 5.487 -3.894 1.00 65.31 O ATOM 1694 CB LYS A 100 14.244 6.938 -4.465 1.00 23.44 C ATOM 1695 CG LYS A 100 12.996 6.869 -3.575 1.00 42.32 C ATOM 1696 CD LYS A 100 12.716 8.163 -2.790 1.00 74.15 C ATOM 1697 CE LYS A 100 12.518 9.430 -3.640 1.00 14.21 C ATOM 1698 NZ LYS A 100 13.793 10.087 -4.003 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.069 4.765 -5.062 1.00 42.13 H new ATOM 0 HA LYS A 100 15.511 5.771 -5.728 1.00 4.50 H new ATOM 0 HB2 LYS A 100 14.961 7.604 -3.984 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.957 7.406 -5.407 1.00 23.44 H new ATOM 0 HG2 LYS A 100 12.131 6.639 -4.197 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.110 6.046 -2.870 1.00 42.32 H new ATOM 0 HD2 LYS A 100 11.823 8.012 -2.183 1.00 74.15 H new ATOM 0 HD3 LYS A 100 13.544 8.335 -2.102 1.00 74.15 H new ATOM 0 HE2 LYS A 100 11.978 9.170 -4.550 1.00 14.21 H new ATOM 0 HE3 LYS A 100 11.895 10.136 -3.091 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 13.616 11.086 -4.233 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 14.454 10.028 -3.202 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 14.207 9.610 -4.829 1.00 55.41 H new ATOM 1712 N ARG A 101 15.473 4.905 -2.527 1.00 13.00 N ATOM 1713 CA ARG A 101 16.242 4.568 -1.330 1.00 21.24 C ATOM 1714 C ARG A 101 17.080 3.297 -1.497 1.00 32.44 C ATOM 1715 O ARG A 101 18.004 3.095 -0.709 1.00 41.23 O ATOM 1716 CB ARG A 101 15.294 4.418 -0.120 1.00 43.10 C ATOM 1717 CG ARG A 101 15.368 5.565 0.903 1.00 13.42 C ATOM 1718 CD ARG A 101 14.782 6.906 0.426 1.00 31.55 C ATOM 1719 NE ARG A 101 14.371 7.722 1.582 1.00 14.22 N ATOM 1720 CZ ARG A 101 14.701 8.985 1.885 1.00 32.10 C ATOM 1721 NH1 ARG A 101 15.270 9.798 0.997 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 14.450 9.438 3.107 1.00 74.22 N ATOM 0 H ARG A 101 14.468 4.803 -2.385 1.00 13.00 H new ATOM 0 HA ARG A 101 16.940 5.388 -1.160 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.270 4.341 -0.486 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.522 3.481 0.388 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.843 5.258 1.808 1.00 13.42 H new ATOM 0 HG3 ARG A 101 16.412 5.720 1.177 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.523 7.445 -0.164 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.926 6.726 -0.224 1.00 31.55 H new ATOM 0 HE ARG A 101 13.748 7.261 2.245 1.00 14.22 H new ATOM 0 HH11 ARG A 101 15.467 9.465 0.053 1.00 32.33 H new ATOM 0 HH12 ARG A 101 15.509 10.754 1.260 1.00 32.33 H new ATOM 0 HH21 ARG A 101 14.013 8.828 3.797 1.00 74.22 H new ATOM 0 HH22 ARG A 101 14.694 10.397 3.356 1.00 74.22 H new