USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 44 GLN : amide:sc= -1.02 K(o=-1.2,f=-0.44) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.156 K(o=-1.2,f=-0.44) USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.982 USER MOD Set 2.2: A 36 SER OG : rot -71:sc= 0.978 USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.549 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.04) USER MOD Single : A 18 GLN : amide:sc= -0.775 K(o=-0.77,f=-3.4!) USER MOD Single : A 21 GLN : amide:sc= -0.761 K(o=-0.76,f=-3.9!) USER MOD Single : A 23 TYR OH : rot 15:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.268 (180deg=-0.965) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.238 K(o=0.24,f=-0.35) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.677 K(o=-0.68,f=-3) USER MOD Single : A 45 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -177:sc= -1.23 (180deg=-1.24) USER MOD Single : A 52 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0254) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=1) USER MOD Single : A 58 MET CE :methyl -171:sc= -11.6! (180deg=-12.1!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.6!) USER MOD Single : A 63 HIS : no HD1:sc= -5.41 K(o=-5.4,f=-14!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.579 K(o=-0.58,f=0) USER MOD Single : A 71 MET CE :methyl -157:sc= -9.2! (180deg=-10.5!) USER MOD Single : A 73 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.28!) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -8.622 -18.790 40.938 1.00 61.43 N ATOM 63 CA THR A 5 -9.158 -18.771 39.582 1.00 75.42 C ATOM 64 C THR A 5 -10.440 -17.944 39.519 1.00 53.15 C ATOM 65 O THR A 5 -10.921 -17.456 40.542 1.00 32.22 O ATOM 66 CB THR A 5 -9.435 -20.202 39.115 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.464 -21.094 39.632 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.440 -20.355 37.610 1.00 34.41 C ATOM 0 HA THR A 5 -8.421 -18.312 38.923 1.00 75.42 H new ATOM 0 HB THR A 5 -10.431 -20.437 39.490 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.038 -20.694 40.419 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.642 -21.394 37.351 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.213 -19.717 37.182 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.468 -20.064 37.212 1.00 34.41 H new ATOM 76 N ILE A 6 -10.996 -17.804 38.320 1.00 1.53 N ATOM 77 CA ILE A 6 -12.232 -17.052 38.128 1.00 33.41 C ATOM 78 C ILE A 6 -13.072 -17.683 37.026 1.00 11.10 C ATOM 79 O ILE A 6 -12.604 -18.565 36.310 1.00 72.21 O ATOM 80 CB ILE A 6 -11.962 -15.572 37.770 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.292 -15.457 36.397 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.104 -14.912 38.839 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.673 -14.201 35.647 1.00 23.21 C ATOM 0 H ILE A 6 -10.609 -18.202 37.464 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.772 -17.083 39.074 1.00 33.41 H new ATOM 0 HB ILE A 6 -12.919 -15.053 37.726 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.210 -15.480 36.526 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.560 -16.326 35.796 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -10.924 -13.871 38.570 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.620 -14.955 39.798 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.152 -15.436 38.916 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.163 -14.184 34.684 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.751 -14.185 35.487 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.380 -13.327 36.228 1.00 23.21 H new ATOM 95 N PHE A 7 -14.305 -17.218 36.885 1.00 13.34 N ATOM 96 CA PHE A 7 -15.195 -17.736 35.854 1.00 50.22 C ATOM 97 C PHE A 7 -15.330 -16.729 34.720 1.00 42.14 C ATOM 98 O PHE A 7 -16.140 -15.804 34.792 1.00 72.41 O ATOM 99 CB PHE A 7 -16.570 -18.058 36.440 1.00 50.24 C ATOM 100 CG PHE A 7 -17.293 -19.145 35.695 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.865 -20.460 35.776 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.399 -18.850 34.912 1.00 40.51 C ATOM 103 CE1 PHE A 7 -17.524 -21.462 35.091 1.00 14.44 C ATOM 104 CE2 PHE A 7 -19.063 -19.849 34.226 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.625 -21.156 34.315 1.00 21.53 C ATOM 0 H PHE A 7 -14.711 -16.486 37.468 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.764 -18.656 35.459 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.453 -18.357 37.482 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.180 -17.155 36.434 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -16.005 -20.705 36.382 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.745 -17.830 34.838 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -17.179 -22.483 35.162 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.924 -19.608 33.620 1.00 31.12 H new ATOM 0 HZ PHE A 7 -19.143 -21.938 33.779 1.00 21.53 H new ATOM 115 N CYS A 8 -14.531 -16.911 33.674 1.00 31.32 N ATOM 116 CA CYS A 8 -14.562 -16.014 32.529 1.00 54.41 C ATOM 117 C CYS A 8 -15.932 -16.044 31.858 1.00 65.22 C ATOM 118 O CYS A 8 -16.627 -17.062 31.892 1.00 34.32 O ATOM 119 CB CYS A 8 -13.480 -16.406 31.522 1.00 24.25 C ATOM 120 SG CYS A 8 -13.226 -15.204 30.198 1.00 51.15 S ATOM 0 H CYS A 8 -13.855 -17.671 33.597 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.370 -15.001 32.882 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.539 -16.547 32.054 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.743 -17.367 31.079 1.00 24.25 H new ATOM 0 HG CYS A 8 -12.290 -15.627 29.401 1.00 51.15 H new ATOM 126 N THR A 9 -16.315 -14.931 31.245 1.00 52.25 N ATOM 127 CA THR A 9 -17.601 -14.843 30.559 1.00 12.21 C ATOM 128 C THR A 9 -17.418 -15.008 29.051 1.00 43.22 C ATOM 129 O THR A 9 -18.350 -15.380 28.339 1.00 73.23 O ATOM 130 CB THR A 9 -18.278 -13.507 30.870 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.582 -13.463 30.319 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.514 -12.315 30.340 1.00 1.45 C ATOM 0 H THR A 9 -15.757 -14.078 31.208 1.00 52.25 H new ATOM 0 HA THR A 9 -18.240 -15.650 30.918 1.00 12.21 H new ATOM 0 HB THR A 9 -18.309 -13.445 31.958 1.00 25.02 H new ATOM 0 HG1 THR A 9 -19.998 -12.601 30.531 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.047 -11.399 30.594 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.520 -12.292 30.787 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.423 -12.393 29.257 1.00 1.45 H new ATOM 140 N PHE A 10 -16.203 -14.739 28.578 1.00 65.32 N ATOM 141 CA PHE A 10 -15.881 -14.867 27.162 1.00 62.40 C ATOM 142 C PHE A 10 -15.757 -16.339 26.784 1.00 73.04 C ATOM 143 O PHE A 10 -16.331 -16.788 25.792 1.00 1.33 O ATOM 144 CB PHE A 10 -14.573 -14.135 26.853 1.00 25.33 C ATOM 145 CG PHE A 10 -14.139 -14.242 25.419 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.856 -13.610 24.415 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.016 -14.975 25.076 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.458 -13.710 23.095 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.613 -15.078 23.757 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.335 -14.445 22.766 1.00 24.22 C ATOM 0 H PHE A 10 -15.424 -14.430 29.159 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.684 -14.419 26.577 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.688 -13.082 27.110 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.785 -14.534 27.491 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.734 -13.034 24.667 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.448 -15.473 25.848 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.025 -13.214 22.321 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.735 -15.653 23.503 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.023 -14.524 21.735 1.00 24.22 H new ATOM 160 N LEU A 11 -15.018 -17.089 27.597 1.00 73.11 N ATOM 161 CA LEU A 11 -14.833 -18.517 27.363 1.00 31.00 C ATOM 162 C LEU A 11 -15.941 -19.314 28.043 1.00 73.10 C ATOM 163 O LEU A 11 -16.158 -20.485 27.728 1.00 62.15 O ATOM 164 CB LEU A 11 -13.471 -18.985 27.887 1.00 1.01 C ATOM 165 CG LEU A 11 -12.286 -18.082 27.544 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.170 -18.262 28.564 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.781 -18.379 26.139 1.00 2.01 C ATOM 0 H LEU A 11 -14.538 -16.731 28.423 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.873 -18.688 26.287 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.532 -19.079 28.971 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.272 -19.981 27.492 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.618 -17.044 27.577 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.333 -17.613 28.306 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.539 -18.002 29.556 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.838 -19.300 28.561 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.937 -17.728 25.910 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.463 -19.420 26.079 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.581 -18.202 25.420 1.00 2.01 H new ATOM 179 N GLN A 12 -16.634 -18.675 28.981 1.00 23.53 N ATOM 180 CA GLN A 12 -17.709 -19.329 29.709 1.00 23.44 C ATOM 181 C GLN A 12 -17.173 -20.529 30.478 1.00 25.43 C ATOM 182 O GLN A 12 -17.806 -21.583 30.535 1.00 51.41 O ATOM 183 CB GLN A 12 -18.820 -19.760 28.752 1.00 53.11 C ATOM 184 CG GLN A 12 -19.732 -18.618 28.335 1.00 64.42 C ATOM 185 CD GLN A 12 -20.680 -18.200 29.443 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.622 -18.920 29.774 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.435 -17.031 30.023 1.00 71.40 N ATOM 0 H GLN A 12 -16.468 -17.706 29.252 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.127 -18.618 30.422 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.372 -20.201 27.862 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.418 -20.538 29.227 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.126 -17.763 28.038 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.309 -18.919 27.461 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.643 -16.466 29.717 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.039 -16.698 30.774 1.00 71.40 H new ATOM 196 N ARG A 13 -16.000 -20.348 31.074 1.00 31.42 N ATOM 197 CA ARG A 13 -15.358 -21.399 31.856 1.00 30.23 C ATOM 198 C ARG A 13 -14.641 -20.784 33.052 1.00 63.10 C ATOM 199 O ARG A 13 -14.797 -19.596 33.333 1.00 64.23 O ATOM 200 CB ARG A 13 -14.353 -22.185 31.003 1.00 73.20 C ATOM 201 CG ARG A 13 -14.528 -21.998 29.505 1.00 72.11 C ATOM 202 CD ARG A 13 -13.534 -22.843 28.723 1.00 24.42 C ATOM 203 NE ARG A 13 -14.003 -23.133 27.370 1.00 51.31 N ATOM 204 CZ ARG A 13 -13.259 -23.725 26.440 1.00 21.21 C ATOM 205 NH1 ARG A 13 -12.013 -24.092 26.714 1.00 22.03 N ATOM 206 NH2 ARG A 13 -13.762 -23.954 25.235 1.00 63.21 N ATOM 0 H ARG A 13 -15.471 -19.477 31.030 1.00 31.42 H new ATOM 0 HA ARG A 13 -16.129 -22.088 32.202 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.343 -21.883 31.280 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.444 -23.245 31.239 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.544 -22.270 29.219 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.395 -20.947 29.250 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.578 -22.322 28.671 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.358 -23.779 29.254 1.00 24.42 H new ATOM 0 HE ARG A 13 -14.956 -22.866 27.124 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -11.623 -23.920 27.641 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -11.446 -24.546 25.998 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -14.720 -23.676 25.021 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -13.191 -24.408 24.522 1.00 63.21 H new ATOM 220 N GLU A 14 -13.845 -21.590 33.745 1.00 1.13 N ATOM 221 CA GLU A 14 -13.101 -21.101 34.897 1.00 34.13 C ATOM 222 C GLU A 14 -11.629 -20.918 34.551 1.00 14.15 C ATOM 223 O GLU A 14 -10.875 -21.886 34.458 1.00 14.24 O ATOM 224 CB GLU A 14 -13.244 -22.053 36.083 1.00 13.12 C ATOM 225 CG GLU A 14 -13.227 -21.341 37.425 1.00 33.02 C ATOM 226 CD GLU A 14 -13.914 -22.136 38.520 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.404 -23.217 38.879 1.00 65.42 O ATOM 228 OE2 GLU A 14 -14.965 -21.676 39.015 1.00 33.53 O ATOM 0 H GLU A 14 -13.699 -22.577 33.531 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.518 -20.133 35.176 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -14.177 -22.608 35.985 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.434 -22.782 36.055 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.194 -21.148 37.716 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.716 -20.372 37.324 1.00 33.02 H new ATOM 235 N ALA A 15 -11.229 -19.667 34.359 1.00 12.03 N ATOM 236 CA ALA A 15 -9.848 -19.348 34.020 1.00 21.22 C ATOM 237 C ALA A 15 -9.243 -18.393 35.039 1.00 54.41 C ATOM 238 O ALA A 15 -9.960 -17.781 35.829 1.00 2.04 O ATOM 239 CB ALA A 15 -9.776 -18.752 32.623 1.00 50.14 C ATOM 0 H ALA A 15 -11.843 -18.856 34.432 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.268 -20.271 34.039 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.740 -18.518 32.380 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -10.164 -19.470 31.901 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.373 -17.841 32.585 1.00 50.14 H new ATOM 245 N GLU A 16 -7.922 -18.267 35.020 1.00 3.04 N ATOM 246 CA GLU A 16 -7.231 -17.380 35.948 1.00 72.43 C ATOM 247 C GLU A 16 -7.746 -15.950 35.814 1.00 31.24 C ATOM 248 O GLU A 16 -8.320 -15.581 34.790 1.00 54.24 O ATOM 249 CB GLU A 16 -5.719 -17.427 35.708 1.00 40.45 C ATOM 250 CG GLU A 16 -5.283 -16.788 34.397 1.00 2.55 C ATOM 251 CD GLU A 16 -5.544 -17.676 33.197 1.00 45.03 C ATOM 252 OE1 GLU A 16 -5.727 -18.897 33.390 1.00 44.31 O ATOM 253 OE2 GLU A 16 -5.567 -17.152 32.064 1.00 45.02 O ATOM 0 H GLU A 16 -7.309 -18.766 34.375 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.433 -17.723 36.963 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.214 -16.923 36.532 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.391 -18.466 35.721 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.810 -15.843 34.266 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.219 -16.556 34.447 1.00 2.55 H new ATOM 260 N GLY A 17 -7.541 -15.151 36.854 1.00 52.13 N ATOM 261 CA GLY A 17 -7.994 -13.773 36.830 1.00 51.12 C ATOM 262 C GLY A 17 -6.848 -12.788 36.932 1.00 22.35 C ATOM 263 O GLY A 17 -5.699 -13.180 37.130 1.00 53.22 O ATOM 0 H GLY A 17 -7.069 -15.432 37.713 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.546 -13.591 35.908 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.687 -13.607 37.654 1.00 51.12 H new ATOM 267 N GLN A 18 -7.163 -11.505 36.793 1.00 21.14 N ATOM 268 CA GLN A 18 -6.150 -10.460 36.867 1.00 54.11 C ATOM 269 C GLN A 18 -6.113 -9.836 38.258 1.00 43.52 C ATOM 270 O GLN A 18 -7.116 -9.822 38.972 1.00 15.54 O ATOM 271 CB GLN A 18 -6.427 -9.385 35.814 1.00 11.52 C ATOM 272 CG GLN A 18 -6.571 -9.944 34.407 1.00 53.05 C ATOM 273 CD GLN A 18 -7.952 -9.713 33.824 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.187 -8.728 33.123 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.875 -10.624 34.111 1.00 14.32 N ATOM 0 H GLN A 18 -8.110 -11.164 36.629 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.177 -10.911 36.669 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.339 -8.852 36.081 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.616 -8.656 35.827 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.826 -9.483 33.759 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.362 -11.014 34.422 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.637 -11.425 34.696 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.822 -10.523 33.746 1.00 14.32 H new ATOM 284 N ASP A 19 -4.947 -9.322 38.638 1.00 30.30 N ATOM 285 CA ASP A 19 -4.775 -8.698 39.946 1.00 31.15 C ATOM 286 C ASP A 19 -4.867 -7.178 39.848 1.00 54.34 C ATOM 287 O ASP A 19 -5.140 -6.498 40.838 1.00 62.12 O ATOM 288 CB ASP A 19 -3.429 -9.098 40.549 1.00 61.25 C ATOM 289 CG ASP A 19 -3.524 -9.390 42.034 1.00 4.21 C ATOM 290 OD1 ASP A 19 -4.531 -8.991 42.654 1.00 63.02 O ATOM 291 OD2 ASP A 19 -2.591 -10.020 42.576 1.00 32.45 O ATOM 0 H ASP A 19 -4.107 -9.325 38.059 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.579 -9.049 40.593 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -3.050 -9.979 40.032 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.708 -8.297 40.384 1.00 61.25 H new ATOM 296 N PHE A 20 -4.643 -6.648 38.650 1.00 75.50 N ATOM 297 CA PHE A 20 -4.705 -5.209 38.431 1.00 61.11 C ATOM 298 C PHE A 20 -5.642 -4.871 37.278 1.00 11.10 C ATOM 299 O PHE A 20 -5.494 -5.389 36.172 1.00 10.14 O ATOM 300 CB PHE A 20 -3.309 -4.653 38.147 1.00 42.10 C ATOM 301 CG PHE A 20 -2.562 -5.415 37.087 1.00 20.33 C ATOM 302 CD1 PHE A 20 -1.846 -6.557 37.412 1.00 62.20 C ATOM 303 CD2 PHE A 20 -2.573 -4.988 35.769 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.158 -7.260 36.441 1.00 64.11 C ATOM 305 CE2 PHE A 20 -1.887 -5.687 34.794 1.00 13.12 C ATOM 306 CZ PHE A 20 -1.177 -6.824 35.131 1.00 51.01 C ATOM 0 H PHE A 20 -4.417 -7.193 37.818 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.095 -4.748 39.338 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.398 -3.611 37.839 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -2.728 -4.665 39.069 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -1.826 -6.901 38.436 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -3.124 -4.099 35.501 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -0.606 -8.149 36.707 1.00 64.11 H new ATOM 0 HE2 PHE A 20 -1.906 -5.345 33.770 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.638 -7.370 34.371 1.00 51.01 H new ATOM 316 N GLN A 21 -6.607 -3.994 37.544 1.00 15.34 N ATOM 317 CA GLN A 21 -7.565 -3.584 36.526 1.00 22.42 C ATOM 318 C GLN A 21 -6.853 -2.929 35.349 1.00 75.54 C ATOM 319 O GLN A 21 -5.987 -2.073 35.530 1.00 3.30 O ATOM 320 CB GLN A 21 -8.597 -2.620 37.116 1.00 41.11 C ATOM 321 CG GLN A 21 -9.919 -2.615 36.365 1.00 63.45 C ATOM 322 CD GLN A 21 -11.036 -1.946 37.144 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.591 -2.527 38.076 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.370 -0.718 36.763 1.00 51.02 N ATOM 0 H GLN A 21 -6.744 -3.556 38.455 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.081 -4.475 36.169 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -8.780 -2.888 38.157 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.183 -1.612 37.115 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.788 -2.101 35.413 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.206 -3.642 36.137 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.882 -0.275 35.984 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.114 -0.218 37.249 1.00 51.02 H new ATOM 333 N LEU A 22 -7.222 -3.342 34.144 1.00 10.45 N ATOM 334 CA LEU A 22 -6.618 -2.804 32.932 1.00 4.02 C ATOM 335 C LEU A 22 -7.426 -1.621 32.406 1.00 35.51 C ATOM 336 O LEU A 22 -6.865 -0.600 32.008 1.00 71.53 O ATOM 337 CB LEU A 22 -6.520 -3.896 31.869 1.00 12.14 C ATOM 338 CG LEU A 22 -6.226 -5.295 32.418 1.00 25.31 C ATOM 339 CD1 LEU A 22 -6.399 -6.345 31.332 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.822 -5.352 33.005 1.00 4.03 C ATOM 0 H LEU A 22 -7.938 -4.049 33.979 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.615 -2.451 33.170 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.456 -3.928 31.312 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.737 -3.626 31.161 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.939 -5.510 33.214 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -6.185 -7.332 31.743 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -7.424 -6.320 30.962 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.712 -6.137 30.512 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.629 -6.353 33.391 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -4.094 -5.115 32.229 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.737 -4.628 33.816 1.00 4.03 H new ATOM 352 N TYR A 23 -8.746 -1.758 32.429 1.00 34.05 N ATOM 353 CA TYR A 23 -9.635 -0.695 31.976 1.00 23.50 C ATOM 354 C TYR A 23 -10.057 0.166 33.167 1.00 25.40 C ATOM 355 O TYR A 23 -9.865 -0.224 34.318 1.00 43.13 O ATOM 356 CB TYR A 23 -10.869 -1.288 31.296 1.00 63.45 C ATOM 357 CG TYR A 23 -11.116 -0.769 29.901 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.128 -0.822 28.930 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.343 -0.219 29.562 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.358 -0.339 27.654 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.581 0.268 28.294 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.587 0.208 27.343 1.00 12.35 C ATOM 363 OH TYR A 23 -11.824 0.692 26.076 1.00 2.05 O ATOM 0 H TYR A 23 -9.225 -2.596 32.757 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.105 -0.074 31.254 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.761 -2.372 31.255 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.745 -1.078 31.910 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.165 -1.246 29.173 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.126 -0.171 30.304 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.581 -0.390 26.906 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.542 0.694 28.048 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.130 0.365 25.466 1.00 2.05 H new ATOM 373 N PRO A 24 -10.629 1.353 32.918 1.00 32.24 N ATOM 374 CA PRO A 24 -11.063 2.260 33.975 1.00 11.05 C ATOM 375 C PRO A 24 -12.521 2.055 34.370 1.00 1.33 C ATOM 376 O PRO A 24 -13.172 1.107 33.932 1.00 21.12 O ATOM 377 CB PRO A 24 -10.905 3.606 33.290 1.00 65.33 C ATOM 378 CG PRO A 24 -11.366 3.329 31.902 1.00 43.20 C ATOM 379 CD PRO A 24 -10.893 1.929 31.585 1.00 63.42 C ATOM 0 HA PRO A 24 -10.503 2.129 34.901 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.508 4.377 33.770 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -9.871 3.951 33.311 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.451 3.402 31.828 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -10.950 4.051 31.200 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.650 1.361 31.044 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -9.996 1.937 30.965 1.00 63.42 H new ATOM 387 N GLY A 25 -13.028 2.976 35.184 1.00 62.31 N ATOM 388 CA GLY A 25 -14.412 2.931 35.625 1.00 55.53 C ATOM 389 C GLY A 25 -14.917 1.544 35.964 1.00 61.45 C ATOM 390 O GLY A 25 -14.193 0.717 36.517 1.00 31.03 O ATOM 0 H GLY A 25 -12.496 3.765 35.551 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.522 3.569 36.502 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.043 3.353 34.843 1.00 55.53 H new ATOM 394 N GLU A 26 -16.184 1.309 35.637 1.00 34.32 N ATOM 395 CA GLU A 26 -16.835 0.030 35.910 1.00 25.33 C ATOM 396 C GLU A 26 -16.471 -1.011 34.864 1.00 14.12 C ATOM 397 O GLU A 26 -16.300 -2.188 35.180 1.00 61.02 O ATOM 398 CB GLU A 26 -18.353 0.205 35.945 1.00 60.13 C ATOM 399 CG GLU A 26 -18.836 1.154 37.028 1.00 32.34 C ATOM 400 CD GLU A 26 -19.019 2.571 36.522 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.577 2.740 35.417 1.00 44.40 O ATOM 402 OE2 GLU A 26 -18.602 3.512 37.230 1.00 61.30 O ATOM 0 H GLU A 26 -16.786 1.993 35.179 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.484 -0.318 36.881 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.689 0.573 34.976 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.818 -0.769 36.095 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.782 0.790 37.429 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.121 1.155 37.850 1.00 32.34 H new ATOM 409 N LEU A 27 -16.354 -0.574 33.614 1.00 43.20 N ATOM 410 CA LEU A 27 -16.007 -1.482 32.529 1.00 70.03 C ATOM 411 C LEU A 27 -14.763 -2.279 32.884 1.00 3.24 C ATOM 412 O LEU A 27 -14.765 -3.507 32.829 1.00 43.43 O ATOM 413 CB LEU A 27 -15.779 -0.713 31.229 1.00 42.54 C ATOM 414 CG LEU A 27 -16.317 -1.396 29.967 1.00 51.12 C ATOM 415 CD1 LEU A 27 -15.915 -2.865 29.922 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.830 -1.253 29.886 1.00 51.13 C ATOM 0 H LEU A 27 -16.493 0.396 33.330 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.840 -2.170 32.384 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.245 0.268 31.319 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.709 -0.548 31.106 1.00 42.54 H new ATOM 0 HG LEU A 27 -15.874 -0.901 29.103 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.311 -3.323 29.016 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -14.828 -2.945 29.924 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.318 -3.379 30.794 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.194 -1.744 28.984 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.287 -1.716 30.761 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.094 -0.196 29.856 1.00 51.13 H new ATOM 428 N GLY A 28 -13.702 -1.577 33.262 1.00 3.43 N ATOM 429 CA GLY A 28 -12.475 -2.251 33.634 1.00 70.33 C ATOM 430 C GLY A 28 -12.707 -3.253 34.737 1.00 53.45 C ATOM 431 O GLY A 28 -12.052 -4.291 34.791 1.00 64.53 O ATOM 0 H GLY A 28 -13.670 -0.559 33.317 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.058 -2.757 32.763 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.739 -1.516 33.958 1.00 70.33 H new ATOM 435 N LYS A 29 -13.660 -2.948 35.611 1.00 41.30 N ATOM 436 CA LYS A 29 -13.992 -3.846 36.708 1.00 11.31 C ATOM 437 C LYS A 29 -14.462 -5.196 36.169 1.00 74.12 C ATOM 438 O LYS A 29 -13.855 -6.229 36.450 1.00 50.10 O ATOM 439 CB LYS A 29 -15.077 -3.226 37.593 1.00 13.40 C ATOM 440 CG LYS A 29 -15.123 -3.809 38.997 1.00 74.43 C ATOM 441 CD LYS A 29 -15.295 -2.724 40.049 1.00 54.40 C ATOM 442 CE LYS A 29 -13.990 -2.443 40.777 1.00 33.14 C ATOM 443 NZ LYS A 29 -13.449 -3.664 41.435 1.00 73.52 N ATOM 0 H LYS A 29 -14.212 -2.091 35.581 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.096 -4.003 37.309 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -14.909 -2.151 37.660 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.047 -3.368 37.117 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -15.946 -4.520 39.069 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.205 -4.363 39.192 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.653 -1.810 39.575 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.055 -3.030 40.768 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -13.256 -2.056 40.070 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -14.151 -1.668 41.526 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -12.926 -3.394 42.293 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -14.234 -4.296 41.693 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -12.809 -4.156 40.780 1.00 73.52 H new ATOM 457 N ARG A 30 -15.549 -5.178 35.397 1.00 14.42 N ATOM 458 CA ARG A 30 -16.108 -6.403 34.821 1.00 74.43 C ATOM 459 C ARG A 30 -15.071 -7.150 33.979 1.00 51.04 C ATOM 460 O ARG A 30 -15.008 -8.374 34.024 1.00 65.32 O ATOM 461 CB ARG A 30 -17.352 -6.096 33.982 1.00 42.34 C ATOM 462 CG ARG A 30 -17.145 -4.988 32.967 1.00 12.00 C ATOM 463 CD ARG A 30 -18.469 -4.473 32.416 1.00 64.35 C ATOM 464 NE ARG A 30 -18.797 -3.144 32.926 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.712 -2.343 32.381 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.377 -2.722 31.297 1.00 71.24 N ATOM 467 NH2 ARG A 30 -19.958 -1.154 32.915 1.00 70.40 N ATOM 0 H ARG A 30 -16.060 -4.329 35.156 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.399 -7.049 35.650 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.660 -7.002 33.460 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.169 -5.819 34.648 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.600 -4.166 33.432 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.528 -5.356 32.147 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.420 -4.441 31.328 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.266 -5.169 32.679 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.296 -2.809 33.749 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.189 -3.632 30.876 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.076 -2.104 30.885 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.446 -0.852 33.744 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -20.659 -0.542 32.497 1.00 70.40 H new ATOM 481 N ILE A 31 -14.255 -6.425 33.216 1.00 42.52 N ATOM 482 CA ILE A 31 -13.231 -7.072 32.396 1.00 44.44 C ATOM 483 C ILE A 31 -12.229 -7.784 33.290 1.00 73.55 C ATOM 484 O ILE A 31 -12.065 -9.002 33.230 1.00 62.43 O ATOM 485 CB ILE A 31 -12.463 -6.073 31.510 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.415 -5.143 30.763 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.574 -6.820 30.531 1.00 14.54 C ATOM 488 CD1 ILE A 31 -12.848 -3.755 30.598 1.00 24.11 C ATOM 0 H ILE A 31 -14.280 -5.408 33.148 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.750 -7.777 31.746 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.840 -5.457 32.158 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.633 -5.563 29.781 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.360 -5.085 31.302 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.036 -6.104 29.909 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.860 -7.432 31.082 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.188 -7.461 29.898 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.563 -3.132 30.061 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.655 -3.322 31.579 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -11.916 -3.807 30.034 1.00 24.11 H new ATOM 500 N TYR A 32 -11.574 -7.000 34.133 1.00 64.50 N ATOM 501 CA TYR A 32 -10.592 -7.521 35.069 1.00 23.32 C ATOM 502 C TYR A 32 -11.218 -8.595 35.966 1.00 71.21 C ATOM 503 O TYR A 32 -10.506 -9.375 36.596 1.00 4.24 O ATOM 504 CB TYR A 32 -10.013 -6.361 35.899 1.00 61.31 C ATOM 505 CG TYR A 32 -9.709 -6.687 37.347 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.700 -6.625 38.317 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.427 -7.039 37.742 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.423 -6.910 39.641 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.142 -7.324 39.063 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.141 -7.258 40.009 1.00 75.01 C ATOM 511 OH TYR A 32 -8.857 -7.539 41.325 1.00 23.44 O ATOM 0 H TYR A 32 -11.708 -5.990 34.187 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.779 -7.993 34.518 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.096 -6.017 35.421 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.718 -5.530 35.871 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.705 -6.349 38.032 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.639 -7.091 37.005 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.206 -6.860 40.383 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.139 -7.598 39.353 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.908 -7.767 41.413 1.00 23.44 H new ATOM 521 N ASN A 33 -12.554 -8.618 36.036 1.00 73.34 N ATOM 522 CA ASN A 33 -13.248 -9.591 36.882 1.00 54.32 C ATOM 523 C ASN A 33 -13.788 -10.796 36.099 1.00 71.34 C ATOM 524 O ASN A 33 -13.506 -11.943 36.445 1.00 44.01 O ATOM 525 CB ASN A 33 -14.401 -8.915 37.625 1.00 0.31 C ATOM 526 CG ASN A 33 -13.970 -8.331 38.956 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.889 -9.038 39.960 1.00 33.41 O ATOM 528 ND2 ASN A 33 -13.689 -7.034 38.970 1.00 61.25 N ATOM 0 H ASN A 33 -13.167 -7.983 35.525 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.508 -9.968 37.587 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.816 -8.123 37.002 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.197 -9.641 37.791 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -13.392 -6.586 39.837 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -13.770 -6.485 38.114 1.00 61.25 H new ATOM 535 N GLU A 34 -14.595 -10.535 35.072 1.00 11.44 N ATOM 536 CA GLU A 34 -15.204 -11.607 34.279 1.00 12.01 C ATOM 537 C GLU A 34 -14.397 -11.948 33.027 1.00 33.04 C ATOM 538 O GLU A 34 -14.576 -13.015 32.444 1.00 14.34 O ATOM 539 CB GLU A 34 -16.629 -11.214 33.873 1.00 14.34 C ATOM 540 CG GLU A 34 -17.542 -10.911 35.051 1.00 71.44 C ATOM 541 CD GLU A 34 -18.520 -12.033 35.335 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.887 -12.756 34.385 1.00 51.51 O ATOM 543 OE2 GLU A 34 -18.921 -12.189 36.508 1.00 60.04 O ATOM 0 H GLU A 34 -14.843 -9.593 34.768 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.220 -12.495 34.910 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.584 -10.338 33.226 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.065 -12.022 33.286 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -16.936 -10.729 35.938 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.096 -9.994 34.850 1.00 71.44 H new ATOM 550 N ILE A 35 -13.514 -11.052 32.611 1.00 41.23 N ATOM 551 CA ILE A 35 -12.694 -11.289 31.429 1.00 15.01 C ATOM 552 C ILE A 35 -11.273 -11.671 31.825 1.00 22.10 C ATOM 553 O ILE A 35 -10.427 -10.807 32.054 1.00 72.42 O ATOM 554 CB ILE A 35 -12.653 -10.049 30.503 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.059 -9.699 30.002 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.719 -10.291 29.326 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.865 -10.899 29.565 1.00 44.35 C ATOM 0 H ILE A 35 -13.346 -10.157 33.071 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.153 -12.113 30.883 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.273 -9.207 31.081 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.598 -9.179 30.794 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.975 -9.005 29.166 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.703 -9.408 28.686 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.713 -10.490 29.695 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.071 -11.148 28.752 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.847 -10.573 29.224 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.348 -11.407 28.751 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.982 -11.584 30.405 1.00 44.35 H new ATOM 569 N SER A 36 -11.020 -12.974 31.907 1.00 32.24 N ATOM 570 CA SER A 36 -9.702 -13.475 32.277 1.00 70.31 C ATOM 571 C SER A 36 -8.632 -12.955 31.323 1.00 1.11 C ATOM 572 O SER A 36 -8.944 -12.369 30.286 1.00 2.44 O ATOM 573 CB SER A 36 -9.696 -15.005 32.278 1.00 53.15 C ATOM 574 OG SER A 36 -10.091 -15.517 31.017 1.00 41.34 O ATOM 0 H SER A 36 -11.711 -13.701 31.722 1.00 32.24 H new ATOM 0 HA SER A 36 -9.475 -13.115 33.281 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.698 -15.368 32.525 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.370 -15.374 33.051 1.00 53.15 H new ATOM 0 HG SER A 36 -11.051 -15.365 30.888 1.00 41.34 H new ATOM 580 N LYS A 37 -7.370 -13.176 31.676 1.00 42.00 N ATOM 581 CA LYS A 37 -6.256 -12.731 30.845 1.00 52.25 C ATOM 582 C LYS A 37 -6.310 -13.387 29.467 1.00 52.31 C ATOM 583 O LYS A 37 -5.785 -12.850 28.492 1.00 14.05 O ATOM 584 CB LYS A 37 -4.924 -13.056 31.528 1.00 71.22 C ATOM 585 CG LYS A 37 -4.601 -12.143 32.700 1.00 2.54 C ATOM 586 CD LYS A 37 -3.123 -12.187 33.053 1.00 32.52 C ATOM 587 CE LYS A 37 -2.763 -11.127 34.083 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.304 -10.837 34.095 1.00 43.10 N ATOM 0 H LYS A 37 -7.093 -13.660 32.530 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.337 -11.652 30.716 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.947 -14.088 31.878 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.122 -12.987 30.793 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.887 -11.120 32.455 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.192 -12.440 33.567 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.870 -13.174 33.441 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.528 -12.037 32.152 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.313 -10.211 33.868 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.075 -11.462 35.072 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.100 -10.110 34.810 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -0.779 -11.705 34.325 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.011 -10.493 33.158 1.00 43.10 H new ATOM 602 N GLU A 38 -6.943 -14.555 29.397 1.00 41.40 N ATOM 603 CA GLU A 38 -7.062 -15.292 28.142 1.00 54.20 C ATOM 604 C GLU A 38 -7.941 -14.551 27.136 1.00 31.43 C ATOM 605 O GLU A 38 -7.587 -14.432 25.962 1.00 60.21 O ATOM 606 CB GLU A 38 -7.634 -16.688 28.403 1.00 41.40 C ATOM 607 CG GLU A 38 -7.771 -17.533 27.146 1.00 62.41 C ATOM 608 CD GLU A 38 -6.965 -18.817 27.211 1.00 30.14 C ATOM 609 OE1 GLU A 38 -7.500 -19.828 27.713 1.00 54.15 O ATOM 610 OE2 GLU A 38 -5.801 -18.811 26.760 1.00 72.33 O ATOM 0 H GLU A 38 -7.382 -15.012 30.196 1.00 41.40 H new ATOM 0 HA GLU A 38 -6.063 -15.382 27.714 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.991 -17.208 29.113 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.613 -16.589 28.873 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -8.822 -17.776 26.990 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -7.448 -16.949 26.284 1.00 62.41 H new ATOM 617 N ALA A 39 -9.091 -14.067 27.593 1.00 51.41 N ATOM 618 CA ALA A 39 -10.017 -13.352 26.722 1.00 63.44 C ATOM 619 C ALA A 39 -9.486 -11.974 26.339 1.00 13.12 C ATOM 620 O ALA A 39 -9.571 -11.569 25.179 1.00 44.04 O ATOM 621 CB ALA A 39 -11.376 -13.224 27.391 1.00 12.31 C ATOM 0 H ALA A 39 -9.404 -14.156 28.560 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.121 -13.932 25.805 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.058 -12.688 26.730 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.775 -14.217 27.597 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.271 -12.675 28.326 1.00 12.31 H new ATOM 627 N TRP A 40 -8.941 -11.255 27.315 1.00 21.45 N ATOM 628 CA TRP A 40 -8.402 -9.920 27.069 1.00 64.40 C ATOM 629 C TRP A 40 -7.374 -9.942 25.942 1.00 11.24 C ATOM 630 O TRP A 40 -7.359 -9.058 25.088 1.00 3.30 O ATOM 631 CB TRP A 40 -7.769 -9.358 28.343 1.00 22.34 C ATOM 632 CG TRP A 40 -7.414 -7.902 28.252 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.162 -7.360 28.319 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.318 -6.801 28.089 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.232 -5.992 28.208 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.545 -5.624 28.068 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.707 -6.696 27.959 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.114 -4.359 27.925 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.269 -5.440 27.816 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.474 -4.288 27.800 1.00 72.40 C ATOM 0 H TRP A 40 -8.860 -11.572 28.281 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.228 -9.275 26.767 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.459 -9.503 29.175 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.869 -9.928 28.572 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.250 -7.925 28.441 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.436 -5.354 28.227 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.329 -7.579 27.970 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.503 -3.468 27.913 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.340 -5.347 27.715 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -9.945 -3.323 27.687 1.00 72.40 H new ATOM 651 N ALA A 41 -6.518 -10.960 25.942 1.00 22.20 N ATOM 652 CA ALA A 41 -5.492 -11.088 24.914 1.00 53.14 C ATOM 653 C ALA A 41 -6.119 -11.133 23.527 1.00 42.33 C ATOM 654 O ALA A 41 -5.543 -10.638 22.557 1.00 53.05 O ATOM 655 CB ALA A 41 -4.646 -12.330 25.162 1.00 23.01 C ATOM 0 H ALA A 41 -6.515 -11.705 26.639 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.845 -10.213 24.964 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.884 -12.412 24.387 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.164 -12.254 26.137 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.283 -13.214 25.140 1.00 23.01 H new ATOM 661 N GLN A 42 -7.305 -11.721 23.439 1.00 45.32 N ATOM 662 CA GLN A 42 -8.015 -11.820 22.172 1.00 24.31 C ATOM 663 C GLN A 42 -8.589 -10.464 21.777 1.00 23.11 C ATOM 664 O GLN A 42 -8.581 -10.094 20.603 1.00 73.11 O ATOM 665 CB GLN A 42 -9.134 -12.857 22.271 1.00 64.34 C ATOM 666 CG GLN A 42 -8.707 -14.144 22.958 1.00 12.21 C ATOM 667 CD GLN A 42 -9.428 -15.359 22.410 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.446 -15.234 21.729 1.00 75.14 O ATOM 669 NE2 GLN A 42 -8.902 -16.542 22.700 1.00 44.42 N ATOM 0 H GLN A 42 -7.795 -12.137 24.231 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.310 -12.137 21.404 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.973 -12.424 22.816 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.492 -13.091 21.268 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.632 -14.278 22.837 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.900 -14.063 24.028 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.057 -16.599 23.268 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.343 -17.395 22.355 1.00 44.42 H new ATOM 678 N TRP A 43 -9.074 -9.722 22.769 1.00 55.12 N ATOM 679 CA TRP A 43 -9.639 -8.400 22.527 1.00 54.33 C ATOM 680 C TRP A 43 -8.543 -7.430 22.100 1.00 32.20 C ATOM 681 O TRP A 43 -8.674 -6.738 21.093 1.00 45.45 O ATOM 682 CB TRP A 43 -10.356 -7.884 23.784 1.00 21.24 C ATOM 683 CG TRP A 43 -10.479 -6.387 23.847 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.909 -5.560 24.771 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.213 -5.542 22.952 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.242 -4.253 24.506 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.041 -4.216 23.396 1.00 43.44 C ATOM 688 CE3 TRP A 43 -11.999 -5.774 21.819 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.625 -3.131 22.746 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.579 -4.696 21.177 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.389 -3.389 21.642 1.00 23.41 C ATOM 0 H TRP A 43 -9.087 -10.014 23.746 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.370 -8.475 21.722 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.353 -8.322 23.827 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.817 -8.231 24.666 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.287 -5.885 25.591 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -9.942 -3.443 25.048 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.150 -6.778 21.452 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.479 -2.122 23.102 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.189 -4.865 20.302 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -12.855 -2.568 21.118 1.00 23.41 H new ATOM 702 N GLN A 44 -7.459 -7.389 22.871 1.00 51.52 N ATOM 703 CA GLN A 44 -6.335 -6.506 22.567 1.00 3.30 C ATOM 704 C GLN A 44 -5.954 -6.604 21.091 1.00 74.45 C ATOM 705 O GLN A 44 -5.671 -5.597 20.442 1.00 32.54 O ATOM 706 CB GLN A 44 -5.134 -6.861 23.447 1.00 73.54 C ATOM 707 CG GLN A 44 -5.371 -6.617 24.930 1.00 4.42 C ATOM 708 CD GLN A 44 -5.573 -5.151 25.262 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.657 -4.477 25.732 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.779 -4.650 25.021 1.00 2.33 N ATOM 0 H GLN A 44 -7.335 -7.956 23.710 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.637 -5.480 22.776 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.881 -7.911 23.296 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.273 -6.276 23.124 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.247 -7.181 25.250 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.521 -6.999 25.496 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -7.510 -5.245 24.630 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -6.975 -3.670 25.226 1.00 2.33 H new ATOM 719 N HIS A 45 -5.954 -7.828 20.572 1.00 5.13 N ATOM 720 CA HIS A 45 -5.618 -8.074 19.174 1.00 12.51 C ATOM 721 C HIS A 45 -6.659 -7.447 18.249 1.00 52.13 C ATOM 722 O HIS A 45 -6.319 -6.847 17.230 1.00 22.04 O ATOM 723 CB HIS A 45 -5.513 -9.581 18.921 1.00 61.45 C ATOM 724 CG HIS A 45 -5.425 -9.952 17.473 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.230 -10.090 16.801 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.395 -10.217 16.568 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.466 -10.424 15.546 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.773 -10.508 15.377 1.00 45.21 N ATOM 0 H HIS A 45 -6.184 -8.669 21.102 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.654 -7.612 18.960 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.633 -9.965 19.438 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.381 -10.074 19.359 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.460 -10.203 16.748 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.718 -10.599 14.787 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.244 -10.749 14.505 1.00 45.21 H new ATOM 736 N LYS A 46 -7.928 -7.585 18.615 1.00 55.53 N ATOM 737 CA LYS A 46 -9.021 -7.024 17.825 1.00 40.11 C ATOM 738 C LYS A 46 -9.180 -5.530 18.107 1.00 73.41 C ATOM 739 O LYS A 46 -9.774 -4.797 17.320 1.00 51.20 O ATOM 740 CB LYS A 46 -10.326 -7.762 18.135 1.00 2.14 C ATOM 741 CG LYS A 46 -11.535 -7.203 17.399 1.00 34.23 C ATOM 742 CD LYS A 46 -11.975 -8.117 16.268 1.00 13.22 C ATOM 743 CE LYS A 46 -13.476 -8.042 16.047 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.855 -8.428 14.661 1.00 74.13 N ATOM 0 H LYS A 46 -8.227 -8.081 19.455 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.784 -7.151 16.769 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.208 -8.814 17.876 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.512 -7.717 19.208 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.359 -7.069 18.100 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.294 -6.218 16.999 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.456 -7.839 15.351 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -11.690 -9.144 16.496 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.980 -8.698 16.757 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.822 -7.028 16.249 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.887 -8.363 14.553 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.395 -7.787 13.984 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.548 -9.404 14.476 1.00 74.13 H new ATOM 758 N GLN A 47 -8.647 -5.086 19.237 1.00 52.34 N ATOM 759 CA GLN A 47 -8.734 -3.685 19.624 1.00 41.35 C ATOM 760 C GLN A 47 -7.877 -2.816 18.707 1.00 55.42 C ATOM 761 O GLN A 47 -8.366 -1.862 18.102 1.00 61.23 O ATOM 762 CB GLN A 47 -8.282 -3.515 21.075 1.00 50.34 C ATOM 763 CG GLN A 47 -8.321 -2.078 21.561 1.00 75.45 C ATOM 764 CD GLN A 47 -7.204 -1.764 22.536 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.070 -1.502 22.135 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.521 -1.789 23.825 1.00 24.34 N ATOM 0 H GLN A 47 -8.149 -5.677 19.903 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.772 -3.366 19.531 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -8.917 -4.124 21.718 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.266 -3.896 21.177 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.251 -1.407 20.705 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.281 -1.886 22.040 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -8.474 -2.011 24.112 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.811 -1.586 24.529 1.00 24.34 H new ATOM 775 N THR A 48 -6.594 -3.151 18.619 1.00 2.31 N ATOM 776 CA THR A 48 -5.652 -2.405 17.788 1.00 41.14 C ATOM 777 C THR A 48 -6.189 -2.191 16.374 1.00 32.32 C ATOM 778 O THR A 48 -6.052 -1.105 15.809 1.00 11.51 O ATOM 779 CB THR A 48 -4.307 -3.131 17.730 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.311 -2.300 17.160 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.349 -4.413 16.926 1.00 22.44 C ATOM 0 H THR A 48 -6.179 -3.939 19.116 1.00 2.31 H new ATOM 0 HA THR A 48 -5.516 -1.425 18.246 1.00 41.14 H new ATOM 0 HB THR A 48 -4.071 -3.379 18.765 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.458 -2.782 17.133 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.362 -4.875 16.927 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.071 -5.098 17.371 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.644 -4.190 15.901 1.00 22.44 H new ATOM 789 N MET A 49 -6.791 -3.228 15.802 1.00 63.31 N ATOM 790 CA MET A 49 -7.334 -3.138 14.450 1.00 24.21 C ATOM 791 C MET A 49 -8.636 -2.347 14.442 1.00 40.42 C ATOM 792 O MET A 49 -8.917 -1.607 13.499 1.00 5.35 O ATOM 793 CB MET A 49 -7.560 -4.532 13.862 1.00 25.43 C ATOM 794 CG MET A 49 -8.326 -5.466 14.781 1.00 13.45 C ATOM 795 SD MET A 49 -9.894 -6.014 14.078 1.00 74.20 S ATOM 796 CE MET A 49 -9.537 -7.741 13.764 1.00 41.13 C ATOM 0 H MET A 49 -6.915 -4.136 16.250 1.00 63.31 H new ATOM 0 HA MET A 49 -6.606 -2.614 13.830 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.103 -4.436 12.922 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.594 -4.979 13.628 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.709 -6.337 15.002 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.515 -4.961 15.728 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.394 -8.207 13.278 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.665 -7.820 13.115 1.00 41.13 H new ATOM 0 HE3 MET A 49 -9.335 -8.248 14.707 1.00 41.13 H new ATOM 806 N LEU A 50 -9.424 -2.498 15.500 1.00 10.12 N ATOM 807 CA LEU A 50 -10.688 -1.784 15.609 1.00 72.50 C ATOM 808 C LEU A 50 -10.444 -0.281 15.650 1.00 24.05 C ATOM 809 O LEU A 50 -11.291 0.499 15.231 1.00 31.33 O ATOM 810 CB LEU A 50 -11.458 -2.237 16.851 1.00 35.02 C ATOM 811 CG LEU A 50 -12.277 -3.519 16.673 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.910 -3.944 17.992 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.340 -3.328 15.604 1.00 64.03 C ATOM 0 H LEU A 50 -9.210 -3.106 16.291 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.292 -2.014 14.731 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.749 -2.387 17.665 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.129 -1.434 17.157 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.603 -4.313 16.350 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.487 -4.857 17.841 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.128 -4.127 18.729 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.569 -3.153 18.351 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.912 -4.249 15.491 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.009 -2.519 15.897 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.862 -3.079 14.656 1.00 64.03 H new ATOM 825 N ILE A 51 -9.277 0.117 16.144 1.00 21.21 N ATOM 826 CA ILE A 51 -8.924 1.529 16.220 1.00 51.32 C ATOM 827 C ILE A 51 -8.339 2.014 14.898 1.00 51.43 C ATOM 828 O ILE A 51 -8.680 3.093 14.412 1.00 23.00 O ATOM 829 CB ILE A 51 -7.906 1.794 17.350 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.483 1.349 18.696 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.514 3.267 17.394 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.571 1.635 19.868 1.00 32.24 C ATOM 0 H ILE A 51 -8.561 -0.517 16.497 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.841 2.078 16.434 1.00 51.32 H new ATOM 0 HB ILE A 51 -7.007 1.213 17.147 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.437 1.851 18.857 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.688 0.279 18.658 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.796 3.429 18.198 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -7.064 3.552 16.443 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.401 3.874 17.572 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.044 1.293 20.789 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.625 1.111 19.730 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.386 2.707 19.932 1.00 32.24 H new ATOM 844 N ASN A 52 -7.451 1.209 14.325 1.00 53.30 N ATOM 845 CA ASN A 52 -6.804 1.550 13.064 1.00 52.52 C ATOM 846 C ASN A 52 -7.797 1.531 11.904 1.00 23.31 C ATOM 847 O ASN A 52 -7.692 2.329 10.974 1.00 63.50 O ATOM 848 CB ASN A 52 -5.663 0.574 12.783 1.00 74.33 C ATOM 849 CG ASN A 52 -4.364 0.994 13.444 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.085 2.184 13.590 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.562 0.015 13.846 1.00 75.53 N ATOM 0 H ASN A 52 -7.162 0.312 14.716 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.407 2.561 13.154 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.943 -0.418 13.137 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.511 0.498 11.706 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.674 0.236 14.296 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.834 -0.958 13.704 1.00 75.53 H new ATOM 858 N GLU A 53 -8.752 0.605 11.957 1.00 22.35 N ATOM 859 CA GLU A 53 -9.750 0.479 10.899 1.00 2.12 C ATOM 860 C GLU A 53 -10.893 1.474 11.078 1.00 0.01 C ATOM 861 O GLU A 53 -11.262 2.178 10.138 1.00 44.44 O ATOM 862 CB GLU A 53 -10.307 -0.945 10.860 1.00 54.44 C ATOM 863 CG GLU A 53 -10.669 -1.411 9.460 1.00 72.53 C ATOM 864 CD GLU A 53 -10.221 -2.832 9.183 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.003 -3.096 9.268 1.00 3.25 O ATOM 866 OE2 GLU A 53 -11.086 -3.680 8.879 1.00 64.12 O ATOM 0 H GLU A 53 -8.855 -0.066 12.718 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.253 0.702 9.955 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.570 -1.628 11.283 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.192 -0.999 11.494 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.749 -1.342 9.326 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.214 -0.742 8.730 1.00 72.53 H new ATOM 873 N LYS A 54 -11.455 1.530 12.282 1.00 2.21 N ATOM 874 CA LYS A 54 -12.561 2.444 12.561 1.00 51.31 C ATOM 875 C LYS A 54 -12.064 3.883 12.665 1.00 13.10 C ATOM 876 O LYS A 54 -12.860 4.819 12.728 1.00 20.24 O ATOM 877 CB LYS A 54 -13.282 2.056 13.855 1.00 24.31 C ATOM 878 CG LYS A 54 -14.260 0.897 13.701 1.00 71.11 C ATOM 879 CD LYS A 54 -13.551 -0.419 13.419 1.00 44.52 C ATOM 880 CE LYS A 54 -14.385 -1.319 12.524 1.00 52.22 C ATOM 881 NZ LYS A 54 -15.585 -1.849 13.230 1.00 54.31 N ATOM 0 H LYS A 54 -11.166 0.958 13.076 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.264 2.370 11.731 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.538 1.792 14.607 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.822 2.925 14.232 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.853 0.801 14.611 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.954 1.115 12.889 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.590 -0.221 12.944 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.343 -0.930 14.359 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.700 -0.762 11.642 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -13.773 -2.151 12.174 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.974 -2.654 12.698 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -15.316 -2.163 14.184 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -16.304 -1.101 13.301 1.00 54.31 H new ATOM 895 N LYS A 55 -10.745 4.054 12.687 1.00 43.42 N ATOM 896 CA LYS A 55 -10.151 5.379 12.784 1.00 74.11 C ATOM 897 C LYS A 55 -10.502 6.029 14.119 1.00 31.21 C ATOM 898 O LYS A 55 -11.042 7.135 14.163 1.00 5.25 O ATOM 899 CB LYS A 55 -10.627 6.256 11.624 1.00 72.23 C ATOM 900 CG LYS A 55 -10.471 5.592 10.264 1.00 12.00 C ATOM 901 CD LYS A 55 -11.685 5.830 9.377 1.00 1.15 C ATOM 902 CE LYS A 55 -11.290 6.411 8.029 1.00 24.22 C ATOM 903 NZ LYS A 55 -10.829 7.822 8.148 1.00 61.25 N ATOM 0 H LYS A 55 -10.070 3.291 12.639 1.00 43.42 H new ATOM 0 HA LYS A 55 -9.067 5.278 12.727 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.675 6.512 11.778 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -10.066 7.191 11.631 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.579 5.978 9.771 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.323 4.520 10.397 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -12.216 4.890 9.227 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -12.375 6.509 9.878 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -10.497 5.805 7.591 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -12.141 6.363 7.349 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -10.569 8.183 7.208 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -11.594 8.405 8.543 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -10.002 7.865 8.777 1.00 61.25 H new ATOM 917 N LEU A 56 -10.184 5.335 15.208 1.00 30.41 N ATOM 918 CA LEU A 56 -10.456 5.840 16.546 1.00 52.41 C ATOM 919 C LEU A 56 -9.334 6.773 17.001 1.00 51.14 C ATOM 920 O LEU A 56 -8.450 7.119 16.219 1.00 44.51 O ATOM 921 CB LEU A 56 -10.610 4.673 17.523 1.00 75.54 C ATOM 922 CG LEU A 56 -11.843 3.795 17.296 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.977 2.768 18.408 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.098 4.652 17.201 1.00 14.14 C ATOM 0 H LEU A 56 -9.736 4.419 15.188 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.387 6.407 16.526 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.720 4.046 17.460 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.648 5.071 18.537 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.720 3.263 16.352 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.859 2.152 18.230 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.090 2.135 18.427 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.078 3.279 19.365 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.965 4.011 17.040 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.228 5.211 18.128 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -13.001 5.348 16.368 1.00 14.14 H new ATOM 936 N ASN A 57 -9.375 7.173 18.267 1.00 32.03 N ATOM 937 CA ASN A 57 -8.362 8.063 18.824 1.00 20.43 C ATOM 938 C ASN A 57 -8.348 7.975 20.349 1.00 1.23 C ATOM 939 O ASN A 57 -9.140 8.632 21.027 1.00 1.02 O ATOM 940 CB ASN A 57 -8.622 9.504 18.376 1.00 15.31 C ATOM 941 CG ASN A 57 -7.474 10.077 17.570 1.00 61.42 C ATOM 942 OD1 ASN A 57 -7.153 9.584 16.488 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.848 11.125 18.092 1.00 70.12 N ATOM 0 H ASN A 57 -10.100 6.895 18.928 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.385 7.751 18.454 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.533 9.537 17.779 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.793 10.128 19.253 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -6.068 11.554 17.593 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -7.147 11.502 18.992 1.00 70.12 H new ATOM 950 N MET A 58 -7.449 7.153 20.878 1.00 5.10 N ATOM 951 CA MET A 58 -7.331 6.965 22.322 1.00 4.22 C ATOM 952 C MET A 58 -7.057 8.287 23.033 1.00 4.32 C ATOM 953 O MET A 58 -7.287 8.412 24.236 1.00 31.45 O ATOM 954 CB MET A 58 -6.224 5.960 22.643 1.00 30.22 C ATOM 955 CG MET A 58 -4.944 6.185 21.852 1.00 34.55 C ATOM 956 SD MET A 58 -4.476 4.754 20.860 1.00 24.45 S ATOM 957 CE MET A 58 -5.960 4.527 19.884 1.00 24.34 C ATOM 0 H MET A 58 -6.789 6.604 20.328 1.00 5.10 H new ATOM 0 HA MET A 58 -8.282 6.574 22.683 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.996 6.012 23.708 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.591 4.953 22.444 1.00 30.22 H new ATOM 0 HG2 MET A 58 -5.073 7.048 21.199 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.134 6.425 22.541 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.894 3.588 19.335 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.828 4.502 20.542 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.062 5.353 19.180 1.00 24.34 H new ATOM 967 N MET A 59 -6.564 9.273 22.287 1.00 1.01 N ATOM 968 CA MET A 59 -6.260 10.581 22.854 1.00 74.53 C ATOM 969 C MET A 59 -7.515 11.448 22.972 1.00 71.54 C ATOM 970 O MET A 59 -7.423 12.645 23.243 1.00 44.32 O ATOM 971 CB MET A 59 -5.216 11.294 21.996 1.00 2.02 C ATOM 972 CG MET A 59 -3.786 11.000 22.413 1.00 24.22 C ATOM 973 SD MET A 59 -2.620 12.238 21.814 1.00 11.43 S ATOM 974 CE MET A 59 -1.225 11.203 21.381 1.00 3.04 C ATOM 0 H MET A 59 -6.367 9.189 21.290 1.00 1.01 H new ATOM 0 HA MET A 59 -5.863 10.425 23.857 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.350 11.000 20.955 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.387 12.369 22.048 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.731 10.951 23.501 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.496 10.020 22.035 1.00 24.22 H new ATOM 0 HE1 MET A 59 -0.418 11.824 20.993 1.00 3.04 H new ATOM 0 HE2 MET A 59 -0.879 10.670 22.266 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.528 10.484 20.620 1.00 3.04 H new ATOM 984 N ASN A 60 -8.685 10.845 22.770 1.00 72.24 N ATOM 985 CA ASN A 60 -9.944 11.576 22.858 1.00 13.25 C ATOM 986 C ASN A 60 -11.003 10.743 23.574 1.00 2.34 C ATOM 987 O ASN A 60 -11.247 9.591 23.217 1.00 73.54 O ATOM 988 CB ASN A 60 -10.435 11.958 21.459 1.00 54.23 C ATOM 989 CG ASN A 60 -10.775 13.432 21.346 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.216 14.267 22.058 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.699 13.758 20.449 1.00 43.22 N ATOM 0 H ASN A 60 -8.786 9.855 22.545 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.771 12.485 23.434 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.667 11.708 20.727 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.316 11.365 21.212 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -11.971 14.734 20.329 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.136 13.033 19.880 1.00 43.22 H new ATOM 998 N ALA A 61 -11.628 11.333 24.587 1.00 10.14 N ATOM 999 CA ALA A 61 -12.661 10.645 25.354 1.00 75.00 C ATOM 1000 C ALA A 61 -13.816 10.208 24.458 1.00 54.22 C ATOM 1001 O ALA A 61 -14.535 9.260 24.775 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.167 11.544 26.476 1.00 34.33 C ATOM 0 H ALA A 61 -11.438 12.286 24.896 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.220 9.748 25.790 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.938 11.021 27.042 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.340 11.799 27.139 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.586 12.456 26.051 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.989 10.905 23.339 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.057 10.588 22.398 1.00 72.21 C ATOM 1010 C GLU A 62 -14.852 9.208 21.783 1.00 14.54 C ATOM 1011 O GLU A 62 -15.786 8.410 21.699 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.124 11.646 21.295 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.524 11.858 20.744 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.515 12.407 19.331 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.079 13.562 19.146 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -16.946 11.683 18.407 1.00 50.21 O ATOM 0 H GLU A 62 -13.403 11.693 23.062 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.999 10.584 22.946 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.749 12.592 21.686 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.462 11.353 20.480 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.064 10.911 20.759 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.066 12.545 21.394 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.621 8.924 21.365 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.300 7.632 20.773 1.00 60.41 C ATOM 1025 C HIS A 63 -12.971 6.614 21.857 1.00 12.50 C ATOM 1026 O HIS A 63 -13.283 5.430 21.729 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.128 7.749 19.803 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.488 8.380 18.495 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.590 8.531 17.461 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.659 8.893 18.050 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.191 9.108 16.437 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.448 9.338 16.767 1.00 33.54 N ATOM 0 H HIS A 63 -12.834 9.570 21.426 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.176 7.294 20.220 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.337 8.334 20.272 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.722 6.755 19.617 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.587 8.943 18.601 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.732 9.351 15.490 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -14.148 9.775 16.168 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.337 7.086 22.928 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.965 6.224 24.046 1.00 25.03 C ATOM 1042 C ARG A 64 -13.151 5.364 24.471 1.00 71.40 C ATOM 1043 O ARG A 64 -13.030 4.149 24.629 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.485 7.067 25.229 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.294 6.472 25.963 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.044 6.480 25.096 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.680 5.135 24.653 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.173 4.205 25.457 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.967 4.470 26.742 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.868 3.006 24.977 1.00 33.54 N ATOM 0 H ARG A 64 -12.070 8.063 23.045 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.154 5.572 23.723 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.219 8.061 24.870 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.308 7.191 25.932 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.108 7.038 26.876 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.524 5.449 26.263 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.209 7.116 24.227 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.216 6.914 25.656 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.823 4.897 23.672 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.198 5.390 27.116 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.578 3.753 27.355 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -8.022 2.797 23.991 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -7.479 2.293 25.594 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.302 6.008 24.639 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.520 5.311 25.028 1.00 31.33 C ATOM 1066 C LYS A 65 -15.962 4.368 23.917 1.00 61.24 C ATOM 1067 O LYS A 65 -16.555 3.319 24.174 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.631 6.316 25.337 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.989 7.211 24.160 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.387 7.792 24.304 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.432 9.252 23.879 1.00 42.14 C ATOM 1072 NZ LYS A 65 -19.675 9.576 23.125 1.00 60.30 N ATOM 0 H LYS A 65 -14.415 7.014 24.511 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.316 4.728 25.926 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.522 5.774 25.654 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.322 6.940 26.176 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.264 8.021 24.084 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.926 6.639 23.234 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -19.086 7.214 23.699 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.714 7.704 25.340 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.367 9.889 24.761 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.564 9.476 23.260 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.665 10.580 22.855 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.725 8.987 22.269 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.504 9.387 23.724 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.661 4.749 22.679 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.015 3.945 21.516 1.00 65.44 C ATOM 1088 C LEU A 66 -15.491 2.520 21.664 1.00 64.34 C ATOM 1089 O LEU A 66 -16.228 1.553 21.470 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.448 4.582 20.245 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.416 4.651 19.067 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -16.917 3.262 18.708 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -17.581 5.573 19.391 1.00 64.02 C ATOM 0 H LEU A 66 -15.170 5.615 22.456 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.102 3.907 21.443 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.115 5.593 20.481 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.566 4.020 19.938 1.00 3.13 H new ATOM 0 HG LEU A 66 -15.885 5.057 18.206 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.606 3.330 17.866 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -16.072 2.630 18.435 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -17.433 2.829 19.565 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -18.262 5.611 18.541 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -18.112 5.195 20.265 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -17.205 6.575 19.600 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.215 2.398 22.016 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.595 1.090 22.200 1.00 22.20 C ATOM 1107 C LEU A 67 -14.338 0.296 23.263 1.00 1.33 C ATOM 1108 O LEU A 67 -14.647 -0.881 23.076 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.127 1.247 22.605 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.100 1.068 21.484 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.731 0.811 22.082 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.486 -0.075 20.554 1.00 25.32 C ATOM 0 H LEU A 67 -13.591 3.188 22.179 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.646 0.551 21.254 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.994 2.238 23.038 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.908 0.524 23.391 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.076 1.985 20.895 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.002 0.684 21.281 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.442 1.657 22.705 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.763 -0.093 22.690 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.736 -0.175 19.770 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.543 -1.003 21.122 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.456 0.134 20.104 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.632 0.957 24.379 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.354 0.326 25.477 1.00 31.11 C ATOM 1126 C GLU A 68 -16.655 -0.302 24.972 1.00 33.44 C ATOM 1127 O GLU A 68 -17.207 -1.206 25.600 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.638 1.365 26.572 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.541 0.871 27.690 1.00 52.31 C ATOM 1130 CD GLU A 68 -17.813 1.689 27.820 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -17.741 2.819 28.345 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -18.881 1.197 27.395 1.00 60.33 O ATOM 0 H GLU A 68 -14.380 1.931 24.546 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.740 -0.470 25.899 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.691 1.688 27.003 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.095 2.242 26.113 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.801 -0.172 27.507 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -15.995 0.903 28.633 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.134 0.182 23.825 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.362 -0.326 23.224 1.00 31.33 C ATOM 1141 C GLN A 69 -18.102 -1.594 22.409 1.00 54.04 C ATOM 1142 O GLN A 69 -18.772 -2.610 22.599 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.986 0.746 22.325 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.495 0.856 22.461 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.913 1.856 23.522 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.542 2.870 23.219 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -20.567 1.576 24.773 1.00 70.13 N ATOM 0 H GLN A 69 -16.686 0.929 23.294 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.051 -0.576 24.031 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.538 1.711 22.561 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.739 0.525 21.287 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.922 1.149 21.502 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.906 -0.123 22.707 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.046 0.724 24.979 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -20.823 2.213 25.528 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.135 -1.525 21.497 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.797 -2.661 20.647 1.00 33.15 C ATOM 1158 C GLU A 70 -16.322 -3.849 21.478 1.00 4.01 C ATOM 1159 O GLU A 70 -16.689 -4.994 21.208 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.717 -2.266 19.638 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.042 -1.004 18.856 1.00 12.23 C ATOM 1162 CD GLU A 70 -15.508 -1.045 17.437 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -15.927 -1.936 16.670 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -14.668 -0.184 17.094 1.00 42.42 O ATOM 0 H GLU A 70 -16.571 -0.692 21.328 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.698 -2.957 20.110 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.774 -2.123 20.166 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.568 -3.088 18.938 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.123 -0.865 18.830 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.622 -0.142 19.374 1.00 12.23 H new ATOM 1171 N MET A 71 -15.500 -3.574 22.486 1.00 72.11 N ATOM 1172 CA MET A 71 -14.975 -4.627 23.351 1.00 42.11 C ATOM 1173 C MET A 71 -16.092 -5.554 23.833 1.00 0.22 C ATOM 1174 O MET A 71 -15.946 -6.776 23.802 1.00 15.12 O ATOM 1175 CB MET A 71 -14.207 -4.013 24.532 1.00 44.14 C ATOM 1176 CG MET A 71 -14.848 -4.229 25.895 1.00 2.34 C ATOM 1177 SD MET A 71 -13.685 -3.984 27.243 1.00 23.31 S ATOM 1178 CE MET A 71 -13.163 -2.303 26.931 1.00 23.35 C ATOM 0 H MET A 71 -15.183 -2.634 22.724 1.00 72.11 H new ATOM 0 HA MET A 71 -14.279 -5.234 22.772 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.201 -4.432 24.549 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.103 -2.941 24.361 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.687 -3.543 26.012 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.253 -5.239 25.947 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.188 -2.134 27.388 1.00 23.35 H new ATOM 0 HE2 MET A 71 -13.093 -2.137 25.856 1.00 23.35 H new ATOM 0 HE3 MET A 71 -13.889 -1.611 27.358 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.207 -4.973 24.273 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.338 -5.769 24.747 1.00 11.44 C ATOM 1190 C VAL A 72 -18.708 -6.825 23.716 1.00 55.10 C ATOM 1191 O VAL A 72 -18.709 -8.018 24.007 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.576 -4.892 25.038 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.772 -5.744 25.459 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.253 -3.858 26.102 1.00 54.21 C ATOM 0 H VAL A 72 -17.351 -3.964 24.311 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.028 -6.247 25.677 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.846 -4.373 24.118 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.627 -5.098 25.657 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.021 -6.442 24.659 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.522 -6.301 26.362 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.135 -3.248 26.296 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.952 -4.362 27.020 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.440 -3.220 25.755 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.005 -6.373 22.505 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.365 -7.275 21.416 1.00 33.53 C ATOM 1206 C ASN A 73 -18.329 -8.389 21.258 1.00 45.13 C ATOM 1207 O ASN A 73 -18.613 -9.433 20.671 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.494 -6.494 20.106 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.230 -7.277 19.037 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -19.860 -8.404 18.711 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -21.281 -6.680 18.485 1.00 43.31 N ATOM 0 H ASN A 73 -19.004 -5.385 22.250 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.324 -7.732 21.659 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.020 -5.558 20.294 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.500 -6.233 19.742 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -21.816 -7.158 17.760 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -21.552 -5.744 18.786 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.124 -8.155 21.775 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.046 -9.133 21.687 1.00 43.41 C ATOM 1220 C PHE A 74 -15.957 -10.000 22.944 1.00 53.44 C ATOM 1221 O PHE A 74 -15.900 -11.227 22.858 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.713 -8.419 21.460 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.706 -9.243 20.711 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.790 -9.384 19.336 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -12.673 -9.876 21.383 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -12.864 -10.140 18.643 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -11.741 -10.633 20.696 1.00 32.35 C ATOM 1228 CZ PHE A 74 -11.838 -10.766 19.325 1.00 14.42 C ATOM 0 H PHE A 74 -16.871 -7.294 22.260 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.265 -9.789 20.844 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -14.895 -7.496 20.910 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.293 -8.138 22.426 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -14.590 -8.897 18.798 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -12.594 -9.777 22.456 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -12.942 -10.241 17.571 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -10.939 -11.119 21.231 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.113 -11.358 18.786 1.00 14.42 H new ATOM 1238 N LEU A 75 -15.909 -9.356 24.110 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.787 -10.076 25.378 1.00 13.42 C ATOM 1240 C LEU A 75 -17.110 -10.156 26.138 1.00 31.53 C ATOM 1241 O LEU A 75 -17.463 -11.207 26.672 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.741 -9.397 26.266 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.486 -8.904 25.540 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.150 -7.477 25.953 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.311 -9.834 25.815 1.00 74.13 C ATOM 0 H LEU A 75 -15.953 -8.341 24.203 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.481 -11.093 25.135 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.208 -8.548 26.766 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.439 -10.098 27.044 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.685 -8.909 24.468 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.255 -7.147 25.425 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.983 -6.820 25.702 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.971 -7.442 27.028 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.428 -9.469 25.291 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.112 -9.862 26.886 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.552 -10.838 25.464 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.824 -9.040 26.206 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.093 -8.987 26.929 1.00 61.03 C ATOM 1259 C PHE A 76 -20.287 -9.154 26.003 1.00 53.21 C ATOM 1260 O PHE A 76 -21.371 -8.636 26.267 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.215 -7.668 27.657 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.092 -7.413 28.614 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -17.896 -8.242 29.706 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.227 -6.349 28.418 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -16.858 -8.013 30.586 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.187 -6.116 29.296 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.003 -6.950 30.381 1.00 10.35 C ATOM 0 H PHE A 76 -17.549 -8.159 25.771 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.095 -9.815 27.638 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.251 -6.860 26.926 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.159 -7.648 28.202 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.562 -9.076 29.870 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.367 -5.695 27.570 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.715 -8.666 31.435 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.519 -5.283 29.134 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.190 -6.770 31.069 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.069 -9.868 24.921 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.104 -10.119 23.926 1.00 1.24 C ATOM 1279 C GLU A 77 -22.206 -11.006 24.493 1.00 64.35 C ATOM 1280 O GLU A 77 -22.476 -12.092 23.979 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.492 -10.779 22.688 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.419 -10.802 21.485 1.00 55.43 C ATOM 1283 CD GLU A 77 -20.798 -11.489 20.283 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -19.722 -12.103 20.441 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -21.389 -11.414 19.184 1.00 31.00 O ATOM 0 H GLU A 77 -19.169 -10.295 24.700 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.544 -9.162 23.646 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.577 -10.250 22.420 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.208 -11.802 22.936 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.344 -11.313 21.753 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.686 -9.780 21.217 1.00 55.43 H new ATOM 1292 N GLY A 78 -22.836 -10.534 25.557 1.00 23.53 N ATOM 1293 CA GLY A 78 -23.900 -11.288 26.187 1.00 62.55 C ATOM 1294 C GLY A 78 -24.674 -10.462 27.195 1.00 72.21 C ATOM 1295 O GLY A 78 -25.888 -10.611 27.328 1.00 64.15 O ATOM 0 H GLY A 78 -22.629 -9.638 25.998 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.583 -11.656 25.422 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.478 -12.161 26.684 1.00 62.55 H new