USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 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 Single : A 7 SER OG : rot 180:sc= -0.336 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.3 F(o=-1.7!,f=-0.3) USER MOD Single : A 17 GLN :FLIP amide:sc= -2.63 F(o=-3.4!,f=-2.6) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0807 F(o=-0.86,f=-0.081) USER MOD Single : A 23 SER OG : rot -83:sc= 0.552 USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 27 ASN : amide:sc= -3.15! C(o=-3.1!,f=-5.2!) USER MOD Single : A 28 MET CE :methyl 156:sc= -0.232 (180deg=-1.08) USER MOD Single : A 36 SER OG : rot -30:sc= 0.424 USER MOD Single : A 37 SER OG : rot -22:sc= 0.747 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -79:sc= -1.59! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0145 (180deg=-0.194) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -1.55! (180deg=-1.7!) USER MOD Single : A 64 THR OG1 : rot -110:sc= 0.0637 USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= -2.12! (180deg=-4.49!) USER MOD Single : A 66 ASN : amide:sc= -2.29! X(o=-2.3!,f=-2.6) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0331) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.029) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0525 X(o=-0.052,f=-0.028) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= 0.32 (180deg=0.135) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 12.337 -6.726 8.926 1.00 12.11 N ATOM 79 CA SER A 7 12.898 -6.238 10.195 1.00 33.01 C ATOM 80 C SER A 7 11.841 -5.475 11.014 1.00 13.31 C ATOM 81 O SER A 7 11.319 -4.453 10.563 1.00 2.23 O ATOM 82 CB SER A 7 14.102 -5.325 9.926 1.00 40.14 C ATOM 83 OG SER A 7 14.687 -4.861 11.135 1.00 54.31 O ATOM 0 HA SER A 7 13.222 -7.104 10.773 1.00 33.01 H new ATOM 0 HB2 SER A 7 14.848 -5.867 9.345 1.00 40.14 H new ATOM 0 HB3 SER A 7 13.786 -4.473 9.324 1.00 40.14 H new ATOM 0 HG SER A 7 15.452 -4.284 10.928 1.00 54.31 H new ATOM 89 N PRO A 8 11.516 -5.964 12.234 1.00 61.11 N ATOM 90 CA PRO A 8 10.507 -5.339 13.123 1.00 12.34 C ATOM 91 C PRO A 8 10.689 -3.822 13.319 1.00 63.03 C ATOM 92 O PRO A 8 9.726 -3.101 13.578 1.00 64.14 O ATOM 93 CB PRO A 8 10.713 -6.077 14.449 1.00 64.34 C ATOM 94 CG PRO A 8 11.215 -7.421 14.046 1.00 5.35 C ATOM 95 CD PRO A 8 12.089 -7.185 12.841 1.00 44.34 C ATOM 0 HA PRO A 8 9.506 -5.426 12.701 1.00 12.34 H new ATOM 0 HB2 PRO A 8 11.430 -5.559 15.086 1.00 64.34 H new ATOM 0 HB3 PRO A 8 9.783 -6.152 15.012 1.00 64.34 H new ATOM 0 HG2 PRO A 8 11.779 -7.887 14.854 1.00 5.35 H new ATOM 0 HG3 PRO A 8 10.390 -8.091 13.806 1.00 5.35 H new ATOM 0 HD2 PRO A 8 13.132 -7.042 13.123 1.00 44.34 H new ATOM 0 HD3 PRO A 8 12.059 -8.029 12.151 1.00 44.34 H new ATOM 103 N GLN A 9 11.925 -3.345 13.186 1.00 24.50 N ATOM 104 CA GLN A 9 12.232 -1.916 13.354 1.00 54.14 C ATOM 105 C GLN A 9 11.466 -1.074 12.324 1.00 1.22 C ATOM 106 O GLN A 9 10.902 -0.023 12.634 1.00 3.44 O ATOM 107 CB GLN A 9 13.739 -1.677 13.164 1.00 63.13 C ATOM 108 CG GLN A 9 14.621 -2.799 13.697 1.00 4.52 C ATOM 109 CD GLN A 9 16.102 -2.529 13.496 1.00 62.31 C ATOM 110 OE1 GLN A 9 16.499 -1.827 12.570 1.00 60.12 O ATOM 111 NE2 GLN A 9 16.928 -3.103 14.341 1.00 13.42 N ATOM 0 H GLN A 9 12.735 -3.924 12.962 1.00 24.50 H new ATOM 0 HA GLN A 9 11.931 -1.620 14.359 1.00 54.14 H new ATOM 0 HB2 GLN A 9 13.943 -1.543 12.102 1.00 63.13 H new ATOM 0 HB3 GLN A 9 14.014 -0.747 13.661 1.00 63.13 H new ATOM 0 HG2 GLN A 9 14.422 -2.937 14.760 1.00 4.52 H new ATOM 0 HG3 GLN A 9 14.355 -3.732 13.199 1.00 4.52 H new ATOM 0 HE21 GLN A 9 16.563 -3.680 15.099 1.00 13.42 H new ATOM 0 HE22 GLN A 9 17.934 -2.972 14.239 1.00 13.42 H new ATOM 120 N GLN A 10 11.447 -1.580 11.100 1.00 1.04 N ATOM 121 CA GLN A 10 10.821 -0.914 9.957 1.00 42.10 C ATOM 122 C GLN A 10 9.305 -0.736 10.142 1.00 32.30 C ATOM 123 O GLN A 10 8.709 0.197 9.600 1.00 11.00 O ATOM 124 CB GLN A 10 11.132 -1.712 8.689 1.00 31.53 C ATOM 125 CG GLN A 10 12.628 -1.783 8.382 1.00 75.03 C ATOM 126 CD GLN A 10 12.973 -2.817 7.326 1.00 1.32 C ATOM 127 OE1 GLN A 10 12.274 -3.933 7.334 1.00 44.42 O flip ATOM 128 NE2 GLN A 10 13.891 -2.636 6.534 1.00 34.14 N flip ATOM 0 H GLN A 10 11.871 -2.477 10.865 1.00 1.04 H new ATOM 0 HA GLN A 10 11.235 0.091 9.872 1.00 42.10 H new ATOM 0 HB2 GLN A 10 10.740 -2.723 8.797 1.00 31.53 H new ATOM 0 HB3 GLN A 10 10.614 -1.258 7.844 1.00 31.53 H new ATOM 0 HG2 GLN A 10 12.971 -0.804 8.048 1.00 75.03 H new ATOM 0 HG3 GLN A 10 13.170 -2.015 9.299 1.00 75.03 H new ATOM 0 HE21 GLN A 10 14.415 -1.761 6.552 1.00 34.14 H new ATOM 0 HE22 GLN A 10 14.131 -3.360 5.857 1.00 34.14 H new ATOM 137 N ILE A 11 8.684 -1.634 10.907 1.00 41.41 N ATOM 138 CA ILE A 11 7.230 -1.603 11.119 1.00 73.45 C ATOM 139 C ILE A 11 6.777 -0.264 11.736 1.00 33.23 C ATOM 140 O ILE A 11 5.692 0.235 11.425 1.00 35.33 O ATOM 141 CB ILE A 11 6.769 -2.768 12.035 1.00 32.05 C ATOM 142 CG1 ILE A 11 7.186 -4.124 11.435 1.00 22.43 C ATOM 143 CG2 ILE A 11 5.255 -2.719 12.253 1.00 14.44 C ATOM 144 CD1 ILE A 11 6.780 -5.323 12.274 1.00 65.10 C ATOM 0 H ILE A 11 9.162 -2.393 11.392 1.00 41.41 H new ATOM 0 HA ILE A 11 6.768 -1.715 10.138 1.00 73.45 H new ATOM 0 HB ILE A 11 7.257 -2.655 13.003 1.00 32.05 H new ATOM 0 HG12 ILE A 11 6.745 -4.222 10.443 1.00 22.43 H new ATOM 0 HG13 ILE A 11 8.268 -4.135 11.305 1.00 22.43 H new ATOM 0 HG21 ILE A 11 4.953 -3.544 12.898 1.00 14.44 H new ATOM 0 HG22 ILE A 11 4.986 -1.774 12.724 1.00 14.44 H new ATOM 0 HG23 ILE A 11 4.746 -2.804 11.293 1.00 14.44 H new ATOM 0 HD11 ILE A 11 7.110 -6.239 11.783 1.00 65.10 H new ATOM 0 HD12 ILE A 11 7.243 -5.252 13.258 1.00 65.10 H new ATOM 0 HD13 ILE A 11 5.696 -5.340 12.383 1.00 65.10 H new ATOM 156 N ARG A 12 7.624 0.328 12.583 1.00 62.51 N ATOM 157 CA ARG A 12 7.315 1.619 13.219 1.00 12.15 C ATOM 158 C ARG A 12 7.013 2.710 12.176 1.00 71.12 C ATOM 159 O ARG A 12 6.133 3.550 12.380 1.00 14.14 O ATOM 160 CB ARG A 12 8.481 2.064 14.120 1.00 54.22 C ATOM 161 CG ARG A 12 8.321 3.476 14.680 1.00 3.12 C ATOM 162 CD ARG A 12 9.474 3.874 15.599 1.00 32.10 C ATOM 163 NE ARG A 12 9.419 5.296 15.947 1.00 31.24 N ATOM 164 CZ ARG A 12 9.006 5.771 17.093 1.00 71.11 C ATOM 165 NH1 ARG A 12 8.713 4.985 18.077 1.00 51.40 N1+ ATOM 166 NH2 ARG A 12 8.933 7.049 17.261 1.00 45.33 N ATOM 0 H ARG A 12 8.529 -0.063 12.846 1.00 62.51 H new ATOM 0 HA ARG A 12 6.421 1.479 13.827 1.00 12.15 H new ATOM 0 HB2 ARG A 12 8.576 1.363 14.949 1.00 54.22 H new ATOM 0 HB3 ARG A 12 9.409 2.012 13.550 1.00 54.22 H new ATOM 0 HG2 ARG A 12 8.256 4.186 13.855 1.00 3.12 H new ATOM 0 HG3 ARG A 12 7.383 3.541 15.231 1.00 3.12 H new ATOM 0 HD2 ARG A 12 9.439 3.274 16.509 1.00 32.10 H new ATOM 0 HD3 ARG A 12 10.423 3.655 15.109 1.00 32.10 H new ATOM 0 HE ARG A 12 9.726 5.966 15.242 1.00 31.24 H new ATOM 0 HH11 ARG A 12 8.802 3.975 17.967 1.00 51.40 H new ATOM 0 HH12 ARG A 12 8.392 5.375 18.963 1.00 51.40 H new ATOM 0 HH21 ARG A 12 9.196 7.679 16.503 1.00 45.33 H new ATOM 0 HH22 ARG A 12 8.612 7.429 18.152 1.00 45.33 H new ATOM 180 N ASP A 13 7.728 2.672 11.052 1.00 43.33 N ATOM 181 CA ASP A 13 7.568 3.666 9.983 1.00 22.24 C ATOM 182 C ASP A 13 6.110 3.727 9.482 1.00 31.31 C ATOM 183 O ASP A 13 5.609 4.789 9.109 1.00 64.34 O ATOM 184 CB ASP A 13 8.518 3.328 8.824 1.00 52.31 C ATOM 185 CG ASP A 13 8.540 4.397 7.745 1.00 13.15 C ATOM 186 OD1 ASP A 13 9.365 5.332 7.844 1.00 22.12 O ATOM 187 OD2 ASP A 13 7.740 4.311 6.794 1.00 31.24 O1- ATOM 0 H ASP A 13 8.430 1.959 10.854 1.00 43.33 H new ATOM 0 HA ASP A 13 7.817 4.648 10.385 1.00 22.24 H new ATOM 0 HB2 ASP A 13 9.526 3.193 9.215 1.00 52.31 H new ATOM 0 HB3 ASP A 13 8.219 2.378 8.381 1.00 52.31 H new ATOM 192 N ARG A 14 5.431 2.581 9.502 1.00 44.41 N ATOM 193 CA ARG A 14 4.037 2.486 9.051 1.00 3.32 C ATOM 194 C ARG A 14 3.088 3.336 9.923 1.00 51.22 C ATOM 195 O ARG A 14 2.075 3.842 9.441 1.00 2.31 O ATOM 196 CB ARG A 14 3.585 1.013 9.053 1.00 23.42 C ATOM 197 CG ARG A 14 2.132 0.805 8.627 1.00 50.03 C ATOM 198 CD ARG A 14 1.720 -0.666 8.670 1.00 63.43 C ATOM 199 NE ARG A 14 2.413 -1.473 7.664 1.00 24.10 N ATOM 200 CZ ARG A 14 1.821 -2.023 6.635 1.00 65.32 C ATOM 201 NH1 ARG A 14 0.564 -1.814 6.416 1.00 24.41 N1+ ATOM 202 NH2 ARG A 14 2.486 -2.781 5.825 1.00 14.22 N ATOM 0 H ARG A 14 5.824 1.698 9.827 1.00 44.41 H new ATOM 0 HA ARG A 14 3.989 2.882 8.037 1.00 3.32 H new ATOM 0 HB2 ARG A 14 4.233 0.445 8.386 1.00 23.42 H new ATOM 0 HB3 ARG A 14 3.721 0.604 10.054 1.00 23.42 H new ATOM 0 HG2 ARG A 14 1.478 1.382 9.280 1.00 50.03 H new ATOM 0 HG3 ARG A 14 1.993 1.189 7.617 1.00 50.03 H new ATOM 0 HD2 ARG A 14 1.928 -1.069 9.661 1.00 63.43 H new ATOM 0 HD3 ARG A 14 0.644 -0.743 8.514 1.00 63.43 H new ATOM 0 HE ARG A 14 3.417 -1.615 7.772 1.00 24.10 H new ATOM 0 HH11 ARG A 14 0.029 -1.218 7.047 1.00 24.41 H new ATOM 0 HH12 ARG A 14 0.108 -2.245 5.612 1.00 24.41 H new ATOM 0 HH21 ARG A 14 3.478 -2.953 5.986 1.00 14.22 H new ATOM 0 HH22 ARG A 14 2.018 -3.207 5.025 1.00 14.22 H new ATOM 216 N LEU A 15 3.415 3.474 11.207 1.00 21.32 N ATOM 217 CA LEU A 15 2.560 4.201 12.161 1.00 64.32 C ATOM 218 C LEU A 15 2.517 5.717 11.884 1.00 44.54 C ATOM 219 O LEU A 15 1.445 6.321 11.880 1.00 24.55 O ATOM 220 CB LEU A 15 3.027 3.952 13.608 1.00 2.10 C ATOM 221 CG LEU A 15 2.733 2.551 14.183 1.00 31.12 C ATOM 222 CD1 LEU A 15 3.462 1.457 13.404 1.00 21.43 C ATOM 223 CD2 LEU A 15 3.099 2.494 15.665 1.00 52.43 C ATOM 0 H LEU A 15 4.267 3.093 11.617 1.00 21.32 H new ATOM 0 HA LEU A 15 1.550 3.814 12.029 1.00 64.32 H new ATOM 0 HB2 LEU A 15 4.102 4.124 13.656 1.00 2.10 H new ATOM 0 HB3 LEU A 15 2.556 4.694 14.253 1.00 2.10 H new ATOM 0 HG LEU A 15 1.663 2.368 14.080 1.00 31.12 H new ATOM 0 HD11 LEU A 15 3.230 0.485 13.839 1.00 21.43 H new ATOM 0 HD12 LEU A 15 3.140 1.475 12.363 1.00 21.43 H new ATOM 0 HD13 LEU A 15 4.537 1.630 13.454 1.00 21.43 H new ATOM 0 HD21 LEU A 15 2.885 1.499 16.055 1.00 52.43 H new ATOM 0 HD22 LEU A 15 4.160 2.711 15.786 1.00 52.43 H new ATOM 0 HD23 LEU A 15 2.513 3.232 16.213 1.00 52.43 H new ATOM 235 N LEU A 16 3.683 6.321 11.642 1.00 74.00 N ATOM 236 CA LEU A 16 3.802 7.790 11.535 1.00 12.41 C ATOM 237 C LEU A 16 2.866 8.403 10.473 1.00 22.23 C ATOM 238 O LEU A 16 2.374 9.518 10.640 1.00 23.01 O ATOM 239 CB LEU A 16 5.257 8.202 11.241 1.00 3.53 C ATOM 240 CG LEU A 16 6.250 8.077 12.418 1.00 31.32 C ATOM 241 CD1 LEU A 16 5.774 8.888 13.624 1.00 74.54 C ATOM 242 CD2 LEU A 16 6.476 6.617 12.804 1.00 12.34 C ATOM 0 H LEU A 16 4.563 5.821 11.515 1.00 74.00 H new ATOM 0 HA LEU A 16 3.493 8.185 12.503 1.00 12.41 H new ATOM 0 HB2 LEU A 16 5.626 7.594 10.415 1.00 3.53 H new ATOM 0 HB3 LEU A 16 5.258 9.237 10.900 1.00 3.53 H new ATOM 0 HG LEU A 16 7.205 8.486 12.087 1.00 31.32 H new ATOM 0 HD11 LEU A 16 6.490 8.783 14.439 1.00 74.54 H new ATOM 0 HD12 LEU A 16 5.692 9.939 13.346 1.00 74.54 H new ATOM 0 HD13 LEU A 16 4.800 8.521 13.948 1.00 74.54 H new ATOM 0 HD21 LEU A 16 7.180 6.565 13.635 1.00 12.34 H new ATOM 0 HD22 LEU A 16 5.528 6.169 13.102 1.00 12.34 H new ATOM 0 HD23 LEU A 16 6.882 6.074 11.951 1.00 12.34 H new ATOM 254 N GLN A 17 2.624 7.681 9.385 1.00 32.35 N ATOM 255 CA GLN A 17 1.771 8.185 8.298 1.00 44.12 C ATOM 256 C GLN A 17 0.270 8.092 8.637 1.00 53.43 C ATOM 257 O GLN A 17 -0.567 8.670 7.945 1.00 1.51 O ATOM 258 CB GLN A 17 2.090 7.433 6.992 1.00 45.34 C ATOM 259 CG GLN A 17 1.941 5.911 7.073 1.00 45.32 C ATOM 260 CD GLN A 17 0.517 5.420 6.849 1.00 2.43 C ATOM 261 OE1 GLN A 17 0.158 4.320 7.481 1.00 75.44 O flip ATOM 262 NE2 GLN A 17 -0.255 6.022 6.111 1.00 4.42 N flip ATOM 0 H GLN A 17 3.002 6.747 9.226 1.00 32.35 H new ATOM 0 HA GLN A 17 1.993 9.244 8.166 1.00 44.12 H new ATOM 0 HB2 GLN A 17 1.435 7.807 6.205 1.00 45.34 H new ATOM 0 HB3 GLN A 17 3.112 7.668 6.694 1.00 45.34 H new ATOM 0 HG2 GLN A 17 2.595 5.451 6.332 1.00 45.32 H new ATOM 0 HG3 GLN A 17 2.282 5.573 8.052 1.00 45.32 H new ATOM 0 HE21 GLN A 17 0.052 6.871 5.635 1.00 4.42 H new ATOM 0 HE22 GLN A 17 -1.204 5.674 5.973 1.00 4.42 H new ATOM 271 N ALA A 18 -0.065 7.372 9.709 1.00 52.45 N ATOM 272 CA ALA A 18 -1.470 7.149 10.084 1.00 53.40 C ATOM 273 C ALA A 18 -1.885 7.915 11.354 1.00 53.50 C ATOM 274 O ALA A 18 -3.064 8.240 11.529 1.00 0.01 O ATOM 275 CB ALA A 18 -1.718 5.658 10.276 1.00 41.31 C ATOM 0 H ALA A 18 0.612 6.933 10.333 1.00 52.45 H new ATOM 0 HA ALA A 18 -2.082 7.535 9.269 1.00 53.40 H new ATOM 0 HB1 ALA A 18 -2.759 5.495 10.554 1.00 41.31 H new ATOM 0 HB2 ALA A 18 -1.504 5.131 9.346 1.00 41.31 H new ATOM 0 HB3 ALA A 18 -1.069 5.280 11.065 1.00 41.31 H new ATOM 281 N ILE A 19 -0.925 8.200 12.237 1.00 2.50 N ATOM 282 CA ILE A 19 -1.229 8.845 13.527 1.00 55.13 C ATOM 283 C ILE A 19 -0.411 10.130 13.754 1.00 51.00 C ATOM 284 O ILE A 19 0.706 10.271 13.253 1.00 52.30 O ATOM 285 CB ILE A 19 -0.975 7.879 14.717 1.00 23.01 C ATOM 286 CG1 ILE A 19 0.512 7.486 14.791 1.00 12.33 C ATOM 287 CG2 ILE A 19 -1.859 6.636 14.600 1.00 40.32 C ATOM 288 CD1 ILE A 19 0.851 6.571 15.952 1.00 1.32 C ATOM 0 H ILE A 19 0.064 7.998 12.089 1.00 2.50 H new ATOM 0 HA ILE A 19 -2.286 9.109 13.482 1.00 55.13 H new ATOM 0 HB ILE A 19 -1.236 8.397 15.640 1.00 23.01 H new ATOM 0 HG12 ILE A 19 0.794 6.994 13.860 1.00 12.33 H new ATOM 0 HG13 ILE A 19 1.113 8.392 14.868 1.00 12.33 H new ATOM 0 HG21 ILE A 19 -1.666 5.972 15.443 1.00 40.32 H new ATOM 0 HG22 ILE A 19 -2.908 6.934 14.605 1.00 40.32 H new ATOM 0 HG23 ILE A 19 -1.634 6.116 13.669 1.00 40.32 H new ATOM 0 HD11 ILE A 19 1.916 6.340 15.934 1.00 1.32 H new ATOM 0 HD12 ILE A 19 0.602 7.067 16.890 1.00 1.32 H new ATOM 0 HD13 ILE A 19 0.278 5.647 15.867 1.00 1.32 H new ATOM 300 N ASP A 20 -0.988 11.070 14.505 1.00 61.55 N ATOM 301 CA ASP A 20 -0.288 12.297 14.909 1.00 21.43 C ATOM 302 C ASP A 20 0.755 12.009 16.002 1.00 23.12 C ATOM 303 O ASP A 20 0.575 11.093 16.808 1.00 60.31 O ATOM 304 CB ASP A 20 -1.294 13.316 15.453 1.00 62.11 C ATOM 305 CG ASP A 20 -2.405 13.617 14.474 1.00 53.05 C ATOM 306 OD1 ASP A 20 -3.310 12.779 14.338 1.00 63.32 O ATOM 307 OD2 ASP A 20 -2.386 14.703 13.853 1.00 72.42 O1- ATOM 0 H ASP A 20 -1.946 11.006 14.849 1.00 61.55 H new ATOM 0 HA ASP A 20 0.218 12.694 14.029 1.00 21.43 H new ATOM 0 HB2 ASP A 20 -1.725 12.937 16.380 1.00 62.11 H new ATOM 0 HB3 ASP A 20 -0.772 14.240 15.699 1.00 62.11 H new ATOM 312 N PRO A 21 1.846 12.804 16.067 1.00 63.30 N ATOM 313 CA PRO A 21 2.857 12.674 17.135 1.00 10.41 C ATOM 314 C PRO A 21 2.248 12.755 18.547 1.00 42.51 C ATOM 315 O PRO A 21 2.779 12.185 19.503 1.00 30.43 O ATOM 316 CB PRO A 21 3.798 13.863 16.879 1.00 64.00 C ATOM 317 CG PRO A 21 3.638 14.167 15.427 1.00 41.24 C ATOM 318 CD PRO A 21 2.199 13.865 15.101 1.00 42.14 C ATOM 0 HA PRO A 21 3.354 11.704 17.106 1.00 10.41 H new ATOM 0 HB2 PRO A 21 3.529 14.721 17.495 1.00 64.00 H new ATOM 0 HB3 PRO A 21 4.831 13.610 17.119 1.00 64.00 H new ATOM 0 HG2 PRO A 21 3.876 15.210 15.217 1.00 41.24 H new ATOM 0 HG3 PRO A 21 4.312 13.559 14.824 1.00 41.24 H new ATOM 0 HD2 PRO A 21 1.566 14.745 15.221 1.00 42.14 H new ATOM 0 HD3 PRO A 21 2.082 13.526 14.071 1.00 42.14 H new ATOM 326 N GLN A 22 1.121 13.454 18.666 1.00 53.11 N ATOM 327 CA GLN A 22 0.400 13.566 19.943 1.00 33.43 C ATOM 328 C GLN A 22 -0.637 12.438 20.125 1.00 73.20 C ATOM 329 O GLN A 22 -1.587 12.576 20.899 1.00 25.14 O ATOM 330 CB GLN A 22 -0.273 14.941 20.046 1.00 55.44 C ATOM 331 CG GLN A 22 0.715 16.106 20.119 1.00 11.25 C ATOM 332 CD GLN A 22 1.613 16.058 21.351 1.00 70.15 C ATOM 333 OE1 GLN A 22 1.099 15.547 22.455 1.00 24.31 O flip ATOM 334 NE2 GLN A 22 2.759 16.497 21.318 1.00 32.04 N flip ATOM 0 H GLN A 22 0.682 13.955 17.893 1.00 53.11 H new ATOM 0 HA GLN A 22 1.129 13.461 20.746 1.00 33.43 H new ATOM 0 HB2 GLN A 22 -0.924 15.082 19.183 1.00 55.44 H new ATOM 0 HB3 GLN A 22 -0.908 14.959 20.932 1.00 55.44 H new ATOM 0 HG2 GLN A 22 1.337 16.103 19.224 1.00 11.25 H new ATOM 0 HG3 GLN A 22 0.160 17.044 20.118 1.00 11.25 H new ATOM 0 HE21 GLN A 22 3.131 16.886 20.452 1.00 32.04 H new ATOM 0 HE22 GLN A 22 3.339 16.472 22.157 1.00 32.04 H new ATOM 343 N SER A 23 -0.434 11.324 19.414 1.00 53.22 N ATOM 344 CA SER A 23 -1.241 10.100 19.594 1.00 13.23 C ATOM 345 C SER A 23 -2.714 10.253 19.160 1.00 34.35 C ATOM 346 O SER A 23 -3.621 9.726 19.809 1.00 3.31 O ATOM 347 CB SER A 23 -1.167 9.643 21.062 1.00 14.01 C ATOM 348 OG SER A 23 0.153 9.247 21.409 1.00 43.44 O ATOM 0 H SER A 23 0.289 11.239 18.700 1.00 53.22 H new ATOM 0 HA SER A 23 -0.810 9.346 18.936 1.00 13.23 H new ATOM 0 HB2 SER A 23 -1.490 10.454 21.715 1.00 14.01 H new ATOM 0 HB3 SER A 23 -1.853 8.812 21.222 1.00 14.01 H new ATOM 0 HG SER A 23 0.299 8.318 21.133 1.00 43.44 H new ATOM 354 N ASN A 24 -2.944 10.937 18.040 1.00 73.11 N ATOM 355 CA ASN A 24 -4.292 11.052 17.451 1.00 55.43 C ATOM 356 C ASN A 24 -4.367 10.288 16.113 1.00 52.05 C ATOM 357 O ASN A 24 -3.341 10.003 15.500 1.00 12.21 O ATOM 358 CB ASN A 24 -4.663 12.525 17.243 1.00 62.12 C ATOM 359 CG ASN A 24 -4.421 13.357 18.487 1.00 73.42 C ATOM 360 OD1 ASN A 24 -3.241 13.940 18.584 1.00 43.21 O flip ATOM 361 ND2 ASN A 24 -5.285 13.483 19.350 1.00 41.54 N flip ATOM 0 H ASN A 24 -2.217 11.424 17.516 1.00 73.11 H new ATOM 0 HA ASN A 24 -5.007 10.607 18.144 1.00 55.43 H new ATOM 0 HB2 ASN A 24 -4.080 12.932 16.417 1.00 62.12 H new ATOM 0 HB3 ASN A 24 -5.713 12.597 16.958 1.00 62.12 H new ATOM 0 HD21 ASN A 24 -6.186 13.017 19.241 1.00 41.54 H new ATOM 0 HD22 ASN A 24 -5.102 14.053 20.176 1.00 41.54 H new ATOM 368 N ILE A 25 -5.577 9.940 15.672 1.00 43.35 N ATOM 369 CA ILE A 25 -5.762 9.212 14.402 1.00 62.21 C ATOM 370 C ILE A 25 -6.071 10.163 13.233 1.00 61.01 C ATOM 371 O ILE A 25 -6.998 10.972 13.307 1.00 3.21 O ATOM 372 CB ILE A 25 -6.912 8.173 14.504 1.00 73.11 C ATOM 373 CG1 ILE A 25 -6.609 7.133 15.594 1.00 60.55 C ATOM 374 CG2 ILE A 25 -7.148 7.484 13.155 1.00 71.45 C ATOM 375 CD1 ILE A 25 -5.368 6.306 15.332 1.00 25.33 C ATOM 0 H ILE A 25 -6.444 10.146 16.168 1.00 43.35 H new ATOM 0 HA ILE A 25 -4.819 8.700 14.210 1.00 62.21 H new ATOM 0 HB ILE A 25 -7.823 8.705 14.779 1.00 73.11 H new ATOM 0 HG12 ILE A 25 -6.496 7.646 16.549 1.00 60.55 H new ATOM 0 HG13 ILE A 25 -7.464 6.464 15.691 1.00 60.55 H new ATOM 0 HG21 ILE A 25 -7.958 6.761 13.252 1.00 71.45 H new ATOM 0 HG22 ILE A 25 -7.416 8.230 12.407 1.00 71.45 H new ATOM 0 HG23 ILE A 25 -6.238 6.970 12.845 1.00 71.45 H new ATOM 0 HD11 ILE A 25 -5.225 5.597 16.147 1.00 25.33 H new ATOM 0 HD12 ILE A 25 -5.484 5.763 14.394 1.00 25.33 H new ATOM 0 HD13 ILE A 25 -4.500 6.963 15.266 1.00 25.33 H new ATOM 387 N ARG A 26 -5.306 10.048 12.149 1.00 20.40 N ATOM 388 CA ARG A 26 -5.572 10.820 10.928 1.00 43.12 C ATOM 389 C ARG A 26 -6.270 9.968 9.858 1.00 1.01 C ATOM 390 O ARG A 26 -7.202 10.428 9.194 1.00 52.55 O ATOM 391 CB ARG A 26 -4.265 11.388 10.359 1.00 42.41 C ATOM 392 CG ARG A 26 -3.604 12.449 11.234 1.00 52.32 C ATOM 393 CD ARG A 26 -4.371 13.775 11.240 1.00 42.14 C ATOM 394 NE ARG A 26 -5.690 13.680 11.878 1.00 35.14 N ATOM 395 CZ ARG A 26 -6.015 14.288 12.988 1.00 1.21 C ATOM 396 NH1 ARG A 26 -5.133 14.947 13.659 1.00 52.40 N1+ ATOM 397 NH2 ARG A 26 -7.222 14.206 13.440 1.00 24.25 N ATOM 0 H ARG A 26 -4.497 9.430 12.087 1.00 20.40 H new ATOM 0 HA ARG A 26 -6.238 11.638 11.200 1.00 43.12 H new ATOM 0 HB2 ARG A 26 -3.562 10.569 10.209 1.00 42.41 H new ATOM 0 HB3 ARG A 26 -4.467 11.818 9.378 1.00 42.41 H new ATOM 0 HG2 ARG A 26 -3.526 12.075 12.255 1.00 52.32 H new ATOM 0 HG3 ARG A 26 -2.588 12.624 10.880 1.00 52.32 H new ATOM 0 HD2 ARG A 26 -3.777 14.528 11.759 1.00 42.14 H new ATOM 0 HD3 ARG A 26 -4.496 14.119 10.213 1.00 42.14 H new ATOM 0 HE ARG A 26 -6.398 13.102 11.426 1.00 35.14 H new ATOM 0 HH11 ARG A 26 -4.171 14.997 13.325 1.00 52.40 H new ATOM 0 HH12 ARG A 26 -5.398 15.418 14.524 1.00 52.40 H new ATOM 0 HH21 ARG A 26 -7.922 13.667 12.930 1.00 24.25 H new ATOM 0 HH22 ARG A 26 -7.475 14.681 14.307 1.00 24.25 H new ATOM 411 N ASN A 27 -5.816 8.726 9.695 1.00 72.11 N ATOM 412 CA ASN A 27 -6.352 7.838 8.656 1.00 0.00 C ATOM 413 C ASN A 27 -6.625 6.422 9.199 1.00 43.42 C ATOM 414 O ASN A 27 -5.698 5.653 9.473 1.00 2.21 O ATOM 415 CB ASN A 27 -5.375 7.792 7.474 1.00 22.43 C ATOM 416 CG ASN A 27 -5.896 6.977 6.308 1.00 63.30 C ATOM 417 OD1 ASN A 27 -7.098 6.820 6.127 1.00 60.43 O ATOM 418 ND2 ASN A 27 -4.993 6.468 5.496 1.00 72.03 N ATOM 0 H ASN A 27 -5.080 8.310 10.266 1.00 72.11 H new ATOM 0 HA ASN A 27 -7.309 8.237 8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.172 8.809 7.138 1.00 22.43 H new ATOM 0 HB3 ASN A 27 -4.427 7.372 7.809 1.00 22.43 H new ATOM 0 HD21 ASN A 27 -5.286 5.923 4.685 1.00 72.03 H new ATOM 0 HD22 ASN A 27 -4.001 6.619 5.678 1.00 72.03 H new ATOM 425 N MET A 28 -7.911 6.087 9.334 1.00 34.02 N ATOM 426 CA MET A 28 -8.344 4.806 9.913 1.00 4.45 C ATOM 427 C MET A 28 -7.822 3.594 9.118 1.00 64.41 C ATOM 428 O MET A 28 -7.266 2.659 9.692 1.00 63.10 O ATOM 429 CB MET A 28 -9.877 4.754 9.985 1.00 62.22 C ATOM 430 CG MET A 28 -10.421 3.480 10.624 1.00 51.32 C ATOM 431 SD MET A 28 -12.218 3.360 10.531 1.00 34.42 S ATOM 432 CE MET A 28 -12.469 3.391 8.757 1.00 33.23 C ATOM 0 H MET A 28 -8.681 6.691 9.047 1.00 34.02 H new ATOM 0 HA MET A 28 -7.920 4.748 10.915 1.00 4.45 H new ATOM 0 HB2 MET A 28 -10.234 5.614 10.551 1.00 62.22 H new ATOM 0 HB3 MET A 28 -10.282 4.845 8.977 1.00 62.22 H new ATOM 0 HG2 MET A 28 -9.978 2.615 10.131 1.00 51.32 H new ATOM 0 HG3 MET A 28 -10.113 3.444 11.669 1.00 51.32 H new ATOM 0 HE1 MET A 28 -13.419 2.914 8.516 1.00 33.23 H new ATOM 0 HE2 MET A 28 -12.483 4.424 8.410 1.00 33.23 H new ATOM 0 HE3 MET A 28 -11.658 2.854 8.265 1.00 33.23 H new ATOM 442 N VAL A 29 -8.009 3.608 7.801 1.00 74.01 N ATOM 443 CA VAL A 29 -7.582 2.487 6.951 1.00 71.14 C ATOM 444 C VAL A 29 -6.064 2.230 7.065 1.00 42.30 C ATOM 445 O VAL A 29 -5.609 1.086 6.997 1.00 11.23 O ATOM 446 CB VAL A 29 -7.970 2.713 5.463 1.00 73.32 C ATOM 447 CG1 VAL A 29 -7.238 3.917 4.876 1.00 32.32 C ATOM 448 CG2 VAL A 29 -7.710 1.454 4.634 1.00 13.14 C ATOM 0 H VAL A 29 -8.451 4.376 7.296 1.00 74.01 H new ATOM 0 HA VAL A 29 -8.109 1.605 7.314 1.00 71.14 H new ATOM 0 HB VAL A 29 -9.038 2.926 5.426 1.00 73.32 H new ATOM 0 HG11 VAL A 29 -7.531 4.048 3.834 1.00 32.32 H new ATOM 0 HG12 VAL A 29 -7.498 4.812 5.442 1.00 32.32 H new ATOM 0 HG13 VAL A 29 -6.162 3.752 4.932 1.00 32.32 H new ATOM 0 HG21 VAL A 29 -7.989 1.637 3.597 1.00 13.14 H new ATOM 0 HG22 VAL A 29 -6.652 1.197 4.685 1.00 13.14 H new ATOM 0 HG23 VAL A 29 -8.303 0.629 5.029 1.00 13.14 H new ATOM 458 N ALA A 30 -5.286 3.301 7.222 1.00 44.05 N ATOM 459 CA ALA A 30 -3.827 3.187 7.353 1.00 3.24 C ATOM 460 C ALA A 30 -3.410 2.583 8.705 1.00 74.20 C ATOM 461 O ALA A 30 -2.565 1.686 8.759 1.00 1.35 O ATOM 462 CB ALA A 30 -3.181 4.553 7.163 1.00 75.22 C ATOM 0 H ALA A 30 -5.638 4.258 7.262 1.00 44.05 H new ATOM 0 HA ALA A 30 -3.479 2.507 6.576 1.00 3.24 H new ATOM 0 HB1 ALA A 30 -2.099 4.461 7.261 1.00 75.22 H new ATOM 0 HB2 ALA A 30 -3.424 4.936 6.172 1.00 75.22 H new ATOM 0 HB3 ALA A 30 -3.557 5.242 7.920 1.00 75.22 H new ATOM 468 N VAL A 31 -4.000 3.081 9.795 1.00 1.24 N ATOM 469 CA VAL A 31 -3.705 2.565 11.141 1.00 23.34 C ATOM 470 C VAL A 31 -4.171 1.106 11.305 1.00 5.14 C ATOM 471 O VAL A 31 -3.513 0.303 11.967 1.00 5.21 O ATOM 472 CB VAL A 31 -4.314 3.457 12.261 1.00 31.22 C ATOM 473 CG1 VAL A 31 -5.840 3.460 12.213 1.00 35.13 C ATOM 474 CG2 VAL A 31 -3.813 3.023 13.640 1.00 42.11 C ATOM 0 H VAL A 31 -4.683 3.838 9.776 1.00 1.24 H new ATOM 0 HA VAL A 31 -2.621 2.593 11.248 1.00 23.34 H new ATOM 0 HB VAL A 31 -3.979 4.479 12.082 1.00 31.22 H new ATOM 0 HG11 VAL A 31 -6.228 4.094 13.010 1.00 35.13 H new ATOM 0 HG12 VAL A 31 -6.173 3.845 11.249 1.00 35.13 H new ATOM 0 HG13 VAL A 31 -6.210 2.443 12.345 1.00 35.13 H new ATOM 0 HG21 VAL A 31 -4.254 3.662 14.405 1.00 42.11 H new ATOM 0 HG22 VAL A 31 -4.101 1.988 13.822 1.00 42.11 H new ATOM 0 HG23 VAL A 31 -2.727 3.109 13.676 1.00 42.11 H new ATOM 484 N LEU A 32 -5.307 0.772 10.691 1.00 44.34 N ATOM 485 CA LEU A 32 -5.897 -0.573 10.793 1.00 21.31 C ATOM 486 C LEU A 32 -4.879 -1.662 10.395 1.00 70.12 C ATOM 487 O LEU A 32 -4.777 -2.699 11.055 1.00 23.44 O ATOM 488 CB LEU A 32 -7.158 -0.645 9.903 1.00 54.23 C ATOM 489 CG LEU A 32 -8.156 -1.789 10.199 1.00 45.03 C ATOM 490 CD1 LEU A 32 -9.492 -1.524 9.507 1.00 43.35 C ATOM 491 CD2 LEU A 32 -7.606 -3.148 9.764 1.00 44.04 C ATOM 0 H LEU A 32 -5.844 1.417 10.112 1.00 44.34 H new ATOM 0 HA LEU A 32 -6.178 -0.758 11.830 1.00 21.31 H new ATOM 0 HB2 LEU A 32 -7.691 0.302 9.991 1.00 54.23 H new ATOM 0 HB3 LEU A 32 -6.837 -0.734 8.865 1.00 54.23 H new ATOM 0 HG LEU A 32 -8.307 -1.817 11.278 1.00 45.03 H new ATOM 0 HD11 LEU A 32 -10.183 -2.338 9.726 1.00 43.35 H new ATOM 0 HD12 LEU A 32 -9.910 -0.586 9.871 1.00 43.35 H new ATOM 0 HD13 LEU A 32 -9.337 -1.459 8.430 1.00 43.35 H new ATOM 0 HD21 LEU A 32 -8.337 -3.925 9.989 1.00 44.04 H new ATOM 0 HD22 LEU A 32 -7.409 -3.135 8.692 1.00 44.04 H new ATOM 0 HD23 LEU A 32 -6.680 -3.354 10.301 1.00 44.04 H new ATOM 503 N GLU A 33 -4.110 -1.408 9.335 1.00 41.15 N ATOM 504 CA GLU A 33 -3.083 -2.357 8.877 1.00 4.14 C ATOM 505 C GLU A 33 -2.047 -2.664 9.975 1.00 34.14 C ATOM 506 O GLU A 33 -1.508 -3.770 10.038 1.00 31.12 O ATOM 507 CB GLU A 33 -2.367 -1.833 7.623 1.00 4.20 C ATOM 508 CG GLU A 33 -3.233 -1.829 6.364 1.00 13.51 C ATOM 509 CD GLU A 33 -2.414 -1.647 5.090 1.00 43.21 C ATOM 510 OE1 GLU A 33 -1.545 -2.500 4.817 1.00 64.30 O ATOM 511 OE2 GLU A 33 -2.640 -0.667 4.352 1.00 43.44 O1- ATOM 0 H GLU A 33 -4.175 -0.557 8.776 1.00 41.15 H new ATOM 0 HA GLU A 33 -3.602 -3.284 8.632 1.00 4.14 H new ATOM 0 HB2 GLU A 33 -2.019 -0.818 7.814 1.00 4.20 H new ATOM 0 HB3 GLU A 33 -1.483 -2.444 7.441 1.00 4.20 H new ATOM 0 HG2 GLU A 33 -3.786 -2.766 6.305 1.00 13.51 H new ATOM 0 HG3 GLU A 33 -3.969 -1.028 6.436 1.00 13.51 H new ATOM 518 N VAL A 34 -1.764 -1.679 10.828 1.00 1.24 N ATOM 519 CA VAL A 34 -0.792 -1.853 11.916 1.00 5.44 C ATOM 520 C VAL A 34 -1.177 -3.027 12.839 1.00 63.13 C ATOM 521 O VAL A 34 -0.335 -3.846 13.201 1.00 54.11 O ATOM 522 CB VAL A 34 -0.652 -0.555 12.755 1.00 41.13 C ATOM 523 CG1 VAL A 34 0.345 -0.740 13.900 1.00 24.32 C ATOM 524 CG2 VAL A 34 -0.244 0.622 11.861 1.00 35.01 C ATOM 0 H VAL A 34 -2.191 -0.753 10.790 1.00 1.24 H new ATOM 0 HA VAL A 34 0.167 -2.079 11.450 1.00 5.44 H new ATOM 0 HB VAL A 34 -1.624 -0.332 13.195 1.00 41.13 H new ATOM 0 HG11 VAL A 34 0.421 0.186 14.469 1.00 24.32 H new ATOM 0 HG12 VAL A 34 0.002 -1.541 14.555 1.00 24.32 H new ATOM 0 HG13 VAL A 34 1.323 -0.997 13.493 1.00 24.32 H new ATOM 0 HG21 VAL A 34 -0.151 1.524 12.466 1.00 35.01 H new ATOM 0 HG22 VAL A 34 0.712 0.403 11.386 1.00 35.01 H new ATOM 0 HG23 VAL A 34 -1.003 0.777 11.094 1.00 35.01 H new ATOM 534 N ILE A 35 -2.461 -3.125 13.182 1.00 41.45 N ATOM 535 CA ILE A 35 -2.947 -4.183 14.082 1.00 52.45 C ATOM 536 C ILE A 35 -2.669 -5.587 13.513 1.00 24.22 C ATOM 537 O ILE A 35 -2.112 -6.448 14.196 1.00 62.31 O ATOM 538 CB ILE A 35 -4.471 -4.038 14.368 1.00 74.52 C ATOM 539 CG1 ILE A 35 -4.766 -2.783 15.217 1.00 65.15 C ATOM 540 CG2 ILE A 35 -5.021 -5.285 15.068 1.00 61.41 C ATOM 541 CD1 ILE A 35 -4.550 -1.465 14.501 1.00 33.34 C ATOM 0 H ILE A 35 -3.187 -2.488 12.853 1.00 41.45 H new ATOM 0 HA ILE A 35 -2.399 -4.066 15.017 1.00 52.45 H new ATOM 0 HB ILE A 35 -4.972 -3.928 13.406 1.00 74.52 H new ATOM 0 HG12 ILE A 35 -5.800 -2.829 15.560 1.00 65.15 H new ATOM 0 HG13 ILE A 35 -4.134 -2.806 16.105 1.00 65.15 H new ATOM 0 HG21 ILE A 35 -6.087 -5.157 15.256 1.00 61.41 H new ATOM 0 HG22 ILE A 35 -4.867 -6.157 14.432 1.00 61.41 H new ATOM 0 HG23 ILE A 35 -4.501 -5.430 16.015 1.00 61.41 H new ATOM 0 HD11 ILE A 35 -4.782 -0.642 15.176 1.00 33.34 H new ATOM 0 HD12 ILE A 35 -3.510 -1.390 14.182 1.00 33.34 H new ATOM 0 HD13 ILE A 35 -5.202 -1.414 13.629 1.00 33.34 H new ATOM 553 N SER A 36 -3.048 -5.804 12.255 1.00 13.10 N ATOM 554 CA SER A 36 -2.873 -7.113 11.606 1.00 15.14 C ATOM 555 C SER A 36 -1.389 -7.473 11.452 1.00 42.40 C ATOM 556 O SER A 36 -0.978 -8.597 11.751 1.00 74.13 O ATOM 557 CB SER A 36 -3.552 -7.128 10.229 1.00 62.12 C ATOM 558 OG SER A 36 -2.997 -6.145 9.371 1.00 11.34 O ATOM 0 H SER A 36 -3.478 -5.095 11.661 1.00 13.10 H new ATOM 0 HA SER A 36 -3.342 -7.858 12.248 1.00 15.14 H new ATOM 0 HB2 SER A 36 -3.441 -8.113 9.777 1.00 62.12 H new ATOM 0 HB3 SER A 36 -4.621 -6.950 10.346 1.00 62.12 H new ATOM 0 HG SER A 36 -2.676 -5.388 9.905 1.00 11.34 H new ATOM 564 N SER A 37 -0.588 -6.512 10.986 1.00 40.24 N ATOM 565 CA SER A 37 0.859 -6.725 10.805 1.00 60.31 C ATOM 566 C SER A 37 1.547 -7.114 12.123 1.00 60.44 C ATOM 567 O SER A 37 2.386 -8.014 12.148 1.00 52.11 O ATOM 568 CB SER A 37 1.531 -5.473 10.215 1.00 22.33 C ATOM 569 OG SER A 37 1.416 -4.351 11.080 1.00 50.33 O ATOM 0 H SER A 37 -0.911 -5.580 10.726 1.00 40.24 H new ATOM 0 HA SER A 37 0.973 -7.552 10.105 1.00 60.31 H new ATOM 0 HB2 SER A 37 2.585 -5.681 10.028 1.00 22.33 H new ATOM 0 HB3 SER A 37 1.077 -5.237 9.252 1.00 22.33 H new ATOM 0 HG SER A 37 0.658 -4.482 11.687 1.00 50.33 H new ATOM 575 N LEU A 38 1.173 -6.452 13.220 1.00 24.12 N ATOM 576 CA LEU A 38 1.751 -6.747 14.542 1.00 32.41 C ATOM 577 C LEU A 38 1.405 -8.170 15.022 1.00 11.11 C ATOM 578 O LEU A 38 2.224 -8.830 15.664 1.00 4.21 O ATOM 579 CB LEU A 38 1.288 -5.704 15.576 1.00 0.04 C ATOM 580 CG LEU A 38 2.198 -4.466 15.724 1.00 2.05 C ATOM 581 CD1 LEU A 38 2.462 -3.796 14.375 1.00 55.03 C ATOM 582 CD2 LEU A 38 1.588 -3.469 16.706 1.00 11.54 C ATOM 0 H LEU A 38 0.474 -5.709 13.224 1.00 24.12 H new ATOM 0 HA LEU A 38 2.835 -6.693 14.441 1.00 32.41 H new ATOM 0 HB2 LEU A 38 0.288 -5.368 15.304 1.00 0.04 H new ATOM 0 HB3 LEU A 38 1.207 -6.192 16.547 1.00 0.04 H new ATOM 0 HG LEU A 38 3.156 -4.805 16.117 1.00 2.05 H new ATOM 0 HD11 LEU A 38 3.106 -2.929 14.519 1.00 55.03 H new ATOM 0 HD12 LEU A 38 2.952 -4.504 13.707 1.00 55.03 H new ATOM 0 HD13 LEU A 38 1.517 -3.477 13.936 1.00 55.03 H new ATOM 0 HD21 LEU A 38 2.243 -2.602 16.798 1.00 11.54 H new ATOM 0 HD22 LEU A 38 0.612 -3.149 16.341 1.00 11.54 H new ATOM 0 HD23 LEU A 38 1.473 -3.943 17.681 1.00 11.54 H new ATOM 594 N GLU A 39 0.196 -8.638 14.712 1.00 33.14 N ATOM 595 CA GLU A 39 -0.219 -9.997 15.085 1.00 43.24 C ATOM 596 C GLU A 39 0.540 -11.066 14.277 1.00 75.44 C ATOM 597 O GLU A 39 0.820 -12.158 14.781 1.00 11.34 O ATOM 598 CB GLU A 39 -1.731 -10.184 14.884 1.00 15.00 C ATOM 599 CG GLU A 39 -2.603 -9.291 15.765 1.00 4.32 C ATOM 600 CD GLU A 39 -4.088 -9.576 15.590 1.00 13.42 C ATOM 601 OE1 GLU A 39 -4.635 -9.258 14.519 1.00 42.45 O ATOM 602 OE2 GLU A 39 -4.720 -10.127 16.521 1.00 23.42 O1- ATOM 0 H GLU A 39 -0.511 -8.103 14.207 1.00 33.14 H new ATOM 0 HA GLU A 39 0.023 -10.124 16.140 1.00 43.24 H new ATOM 0 HB2 GLU A 39 -1.973 -9.989 13.839 1.00 15.00 H new ATOM 0 HB3 GLU A 39 -1.985 -11.226 15.081 1.00 15.00 H new ATOM 0 HG2 GLU A 39 -2.328 -9.437 16.810 1.00 4.32 H new ATOM 0 HG3 GLU A 39 -2.406 -8.246 15.526 1.00 4.32 H new ATOM 609 N LYS A 40 0.861 -10.759 13.018 1.00 32.51 N ATOM 610 CA LYS A 40 1.557 -11.719 12.146 1.00 73.43 C ATOM 611 C LYS A 40 3.086 -11.590 12.251 1.00 14.50 C ATOM 612 O LYS A 40 3.822 -12.530 11.940 1.00 33.21 O ATOM 613 CB LYS A 40 1.120 -11.512 10.686 1.00 11.54 C ATOM 614 CG LYS A 40 -0.383 -11.668 10.459 1.00 24.24 C ATOM 615 CD LYS A 40 -0.872 -13.066 10.833 1.00 14.12 C ATOM 616 CE LYS A 40 -2.384 -13.199 10.683 1.00 63.13 C ATOM 617 NZ LYS A 40 -2.859 -14.557 11.058 1.00 1.30 N1+ ATOM 0 H LYS A 40 0.654 -9.862 12.579 1.00 32.51 H new ATOM 0 HA LYS A 40 1.284 -12.721 12.478 1.00 73.43 H new ATOM 0 HB2 LYS A 40 1.424 -10.516 10.364 1.00 11.54 H new ATOM 0 HB3 LYS A 40 1.648 -12.226 10.055 1.00 11.54 H new ATOM 0 HG2 LYS A 40 -0.919 -10.925 11.050 1.00 24.24 H new ATOM 0 HG3 LYS A 40 -0.615 -11.470 9.413 1.00 24.24 H new ATOM 0 HD2 LYS A 40 -0.378 -13.804 10.201 1.00 14.12 H new ATOM 0 HD3 LYS A 40 -0.589 -13.286 11.862 1.00 14.12 H new ATOM 0 HE2 LYS A 40 -2.878 -12.456 11.309 1.00 63.13 H new ATOM 0 HE3 LYS A 40 -2.667 -12.987 9.652 1.00 63.13 H new ATOM 0 HZ1 LYS A 40 -3.891 -14.608 10.943 1.00 1.30 H new ATOM 0 HZ2 LYS A 40 -2.407 -15.265 10.444 1.00 1.30 H new ATOM 0 HZ3 LYS A 40 -2.611 -14.750 12.050 1.00 1.30 H new ATOM 631 N TYR A 41 3.557 -10.433 12.699 1.00 1.50 N ATOM 632 CA TYR A 41 4.992 -10.184 12.876 1.00 74.33 C ATOM 633 C TYR A 41 5.262 -9.446 14.197 1.00 24.53 C ATOM 634 O TYR A 41 5.308 -8.215 14.236 1.00 64.43 O ATOM 635 CB TYR A 41 5.559 -9.375 11.694 1.00 10.23 C ATOM 636 CG TYR A 41 5.668 -10.157 10.393 1.00 42.14 C ATOM 637 CD1 TYR A 41 4.606 -10.216 9.494 1.00 31.43 C ATOM 638 CD2 TYR A 41 6.841 -10.833 10.063 1.00 41.45 C ATOM 639 CE1 TYR A 41 4.708 -10.930 8.313 1.00 5.15 C ATOM 640 CE2 TYR A 41 6.949 -11.545 8.884 1.00 74.21 C ATOM 641 CZ TYR A 41 5.883 -11.590 8.013 1.00 1.33 C ATOM 642 OH TYR A 41 5.991 -12.303 6.840 1.00 10.00 O ATOM 0 H TYR A 41 2.964 -9.642 12.950 1.00 1.50 H new ATOM 0 HA TYR A 41 5.495 -11.151 12.909 1.00 74.33 H new ATOM 0 HB2 TYR A 41 4.925 -8.504 11.528 1.00 10.23 H new ATOM 0 HB3 TYR A 41 6.547 -9.003 11.964 1.00 10.23 H new ATOM 0 HD1 TYR A 41 3.687 -9.696 9.722 1.00 31.43 H new ATOM 0 HD2 TYR A 41 7.681 -10.800 10.741 1.00 41.45 H new ATOM 0 HE1 TYR A 41 3.873 -10.971 7.629 1.00 5.15 H new ATOM 0 HE2 TYR A 41 7.866 -12.064 8.646 1.00 74.21 H new ATOM 0 HH TYR A 41 6.883 -12.705 6.783 1.00 10.00 H new ATOM 652 N PRO A 42 5.432 -10.192 15.305 1.00 4.12 N ATOM 653 CA PRO A 42 5.708 -9.593 16.619 1.00 75.31 C ATOM 654 C PRO A 42 7.121 -8.987 16.705 1.00 3.11 C ATOM 655 O PRO A 42 8.111 -9.626 16.342 1.00 73.25 O ATOM 656 CB PRO A 42 5.557 -10.775 17.586 1.00 1.31 C ATOM 657 CG PRO A 42 5.850 -11.982 16.760 1.00 2.11 C ATOM 658 CD PRO A 42 5.363 -11.665 15.369 1.00 23.30 C ATOM 0 HA PRO A 42 5.038 -8.762 16.839 1.00 75.31 H new ATOM 0 HB2 PRO A 42 6.249 -10.692 18.424 1.00 1.31 H new ATOM 0 HB3 PRO A 42 4.552 -10.817 18.006 1.00 1.31 H new ATOM 0 HG2 PRO A 42 6.917 -12.203 16.758 1.00 2.11 H new ATOM 0 HG3 PRO A 42 5.343 -12.860 17.160 1.00 2.11 H new ATOM 0 HD2 PRO A 42 5.991 -12.129 14.609 1.00 23.30 H new ATOM 0 HD3 PRO A 42 4.347 -12.026 15.208 1.00 23.30 H new ATOM 666 N ILE A 43 7.204 -7.752 17.191 1.00 54.43 N ATOM 667 CA ILE A 43 8.484 -7.050 17.310 1.00 24.10 C ATOM 668 C ILE A 43 9.379 -7.700 18.384 1.00 51.14 C ATOM 669 O ILE A 43 8.914 -8.036 19.472 1.00 13.02 O ATOM 670 CB ILE A 43 8.279 -5.536 17.636 1.00 42.31 C ATOM 671 CG1 ILE A 43 7.574 -4.797 16.474 1.00 23.14 C ATOM 672 CG2 ILE A 43 9.615 -4.862 17.945 1.00 63.40 C ATOM 673 CD1 ILE A 43 6.121 -5.180 16.264 1.00 51.55 C ATOM 0 H ILE A 43 6.399 -7.213 17.510 1.00 54.43 H new ATOM 0 HA ILE A 43 8.982 -7.130 16.344 1.00 24.10 H new ATOM 0 HB ILE A 43 7.640 -5.477 18.517 1.00 42.31 H new ATOM 0 HG12 ILE A 43 7.629 -3.724 16.658 1.00 23.14 H new ATOM 0 HG13 ILE A 43 8.123 -4.991 15.553 1.00 23.14 H new ATOM 0 HG21 ILE A 43 9.448 -3.808 18.169 1.00 63.40 H new ATOM 0 HG22 ILE A 43 10.077 -5.347 18.805 1.00 63.40 H new ATOM 0 HG23 ILE A 43 10.275 -4.949 17.082 1.00 63.40 H new ATOM 0 HD11 ILE A 43 5.712 -4.611 15.429 1.00 51.55 H new ATOM 0 HD12 ILE A 43 6.054 -6.246 16.045 1.00 51.55 H new ATOM 0 HD13 ILE A 43 5.552 -4.959 17.167 1.00 51.55 H new ATOM 685 N THR A 44 10.665 -7.872 18.067 1.00 74.12 N ATOM 686 CA THR A 44 11.620 -8.500 18.996 1.00 53.44 C ATOM 687 C THR A 44 11.935 -7.562 20.174 1.00 64.52 C ATOM 688 O THR A 44 11.788 -6.352 20.050 1.00 42.04 O ATOM 689 CB THR A 44 12.941 -8.856 18.262 1.00 55.23 C ATOM 690 OG1 THR A 44 12.657 -9.640 17.093 1.00 61.11 O ATOM 691 CG2 THR A 44 13.900 -9.629 19.161 1.00 22.21 C ATOM 0 H THR A 44 11.073 -7.587 17.176 1.00 74.12 H new ATOM 0 HA THR A 44 11.160 -9.411 19.378 1.00 53.44 H new ATOM 0 HB THR A 44 13.419 -7.918 17.979 1.00 55.23 H new ATOM 0 HG1 THR A 44 13.495 -9.859 16.635 1.00 61.11 H new ATOM 0 HG21 THR A 44 14.811 -9.858 18.609 1.00 22.21 H new ATOM 0 HG22 THR A 44 14.147 -9.025 20.034 1.00 22.21 H new ATOM 0 HG23 THR A 44 13.428 -10.557 19.484 1.00 22.21 H new ATOM 699 N LYS A 45 12.397 -8.114 21.302 1.00 74.31 N ATOM 700 CA LYS A 45 12.662 -7.305 22.507 1.00 54.14 C ATOM 701 C LYS A 45 13.640 -6.146 22.230 1.00 32.32 C ATOM 702 O LYS A 45 13.394 -5.007 22.636 1.00 35.41 O ATOM 703 CB LYS A 45 13.228 -8.191 23.627 1.00 53.32 C ATOM 704 CG LYS A 45 13.732 -7.405 24.836 1.00 11.25 C ATOM 705 CD LYS A 45 14.446 -8.296 25.847 1.00 60.00 C ATOM 706 CE LYS A 45 15.041 -7.474 26.984 1.00 0.31 C ATOM 707 NZ LYS A 45 15.787 -8.312 27.958 1.00 25.33 N1+ ATOM 0 H LYS A 45 12.595 -9.109 21.410 1.00 74.31 H new ATOM 0 HA LYS A 45 11.710 -6.873 22.816 1.00 54.14 H new ATOM 0 HB2 LYS A 45 12.455 -8.887 23.954 1.00 53.32 H new ATOM 0 HB3 LYS A 45 14.047 -8.789 23.227 1.00 53.32 H new ATOM 0 HG2 LYS A 45 14.412 -6.622 24.500 1.00 11.25 H new ATOM 0 HG3 LYS A 45 12.891 -6.910 25.321 1.00 11.25 H new ATOM 0 HD2 LYS A 45 13.745 -9.026 26.251 1.00 60.00 H new ATOM 0 HD3 LYS A 45 15.237 -8.856 25.347 1.00 60.00 H new ATOM 0 HE2 LYS A 45 15.710 -6.719 26.571 1.00 0.31 H new ATOM 0 HE3 LYS A 45 14.242 -6.944 27.502 1.00 0.31 H new ATOM 0 HZ1 LYS A 45 16.172 -7.708 28.712 1.00 25.33 H new ATOM 0 HZ2 LYS A 45 15.145 -9.017 28.373 1.00 25.33 H new ATOM 0 HZ3 LYS A 45 16.567 -8.799 27.472 1.00 25.33 H new ATOM 721 N GLU A 46 14.738 -6.436 21.530 1.00 14.11 N ATOM 722 CA GLU A 46 15.744 -5.408 21.218 1.00 33.13 C ATOM 723 C GLU A 46 15.145 -4.299 20.340 1.00 4.14 C ATOM 724 O GLU A 46 15.300 -3.109 20.623 1.00 1.45 O ATOM 725 CB GLU A 46 16.961 -6.042 20.519 1.00 72.53 C ATOM 726 CG GLU A 46 18.086 -5.053 20.220 1.00 62.24 C ATOM 727 CD GLU A 46 19.332 -5.723 19.656 1.00 70.25 C ATOM 728 OE1 GLU A 46 20.152 -6.228 20.453 1.00 72.02 O ATOM 729 OE2 GLU A 46 19.500 -5.743 18.420 1.00 54.44 O1- ATOM 0 H GLU A 46 14.956 -7.365 21.169 1.00 14.11 H new ATOM 0 HA GLU A 46 16.071 -4.960 22.156 1.00 33.13 H new ATOM 0 HB2 GLU A 46 17.352 -6.843 21.146 1.00 72.53 H new ATOM 0 HB3 GLU A 46 16.634 -6.499 19.585 1.00 72.53 H new ATOM 0 HG2 GLU A 46 17.728 -4.307 19.510 1.00 62.24 H new ATOM 0 HG3 GLU A 46 18.348 -4.522 21.135 1.00 62.24 H new ATOM 736 N ALA A 47 14.442 -4.701 19.285 1.00 73.20 N ATOM 737 CA ALA A 47 13.758 -3.752 18.405 1.00 13.31 C ATOM 738 C ALA A 47 12.650 -2.997 19.152 1.00 61.31 C ATOM 739 O ALA A 47 12.421 -1.817 18.906 1.00 12.23 O ATOM 740 CB ALA A 47 13.181 -4.473 17.190 1.00 32.44 C ATOM 0 H ALA A 47 14.330 -5.679 19.016 1.00 73.20 H new ATOM 0 HA ALA A 47 14.493 -3.022 18.066 1.00 13.31 H new ATOM 0 HB1 ALA A 47 12.676 -3.753 16.546 1.00 32.44 H new ATOM 0 HB2 ALA A 47 13.987 -4.953 16.635 1.00 32.44 H new ATOM 0 HB3 ALA A 47 12.467 -5.228 17.520 1.00 32.44 H new ATOM 746 N LEU A 48 11.982 -3.685 20.074 1.00 25.24 N ATOM 747 CA LEU A 48 10.869 -3.104 20.836 1.00 24.52 C ATOM 748 C LEU A 48 11.330 -1.905 21.675 1.00 55.02 C ATOM 749 O LEU A 48 10.686 -0.854 21.685 1.00 1.30 O ATOM 750 CB LEU A 48 10.261 -4.174 21.757 1.00 24.33 C ATOM 751 CG LEU A 48 9.021 -3.738 22.558 1.00 25.11 C ATOM 752 CD1 LEU A 48 7.821 -3.542 21.636 1.00 73.13 C ATOM 753 CD2 LEU A 48 8.703 -4.752 23.656 1.00 13.22 C ATOM 0 H LEU A 48 12.191 -4.654 20.316 1.00 25.24 H new ATOM 0 HA LEU A 48 10.119 -2.753 20.127 1.00 24.52 H new ATOM 0 HB2 LEU A 48 9.994 -5.040 21.151 1.00 24.33 H new ATOM 0 HB3 LEU A 48 11.028 -4.501 22.459 1.00 24.33 H new ATOM 0 HG LEU A 48 9.242 -2.782 23.032 1.00 25.11 H new ATOM 0 HD11 LEU A 48 6.957 -3.234 22.224 1.00 73.13 H new ATOM 0 HD12 LEU A 48 8.051 -2.773 20.899 1.00 73.13 H new ATOM 0 HD13 LEU A 48 7.597 -4.479 21.126 1.00 73.13 H new ATOM 0 HD21 LEU A 48 7.823 -4.425 24.210 1.00 13.22 H new ATOM 0 HD22 LEU A 48 8.507 -5.726 23.207 1.00 13.22 H new ATOM 0 HD23 LEU A 48 9.551 -4.830 24.336 1.00 13.22 H new ATOM 765 N GLU A 49 12.450 -2.072 22.373 1.00 62.50 N ATOM 766 CA GLU A 49 13.033 -0.994 23.175 1.00 62.44 C ATOM 767 C GLU A 49 13.658 0.094 22.284 1.00 64.53 C ATOM 768 O GLU A 49 13.438 1.290 22.494 1.00 53.33 O ATOM 769 CB GLU A 49 14.087 -1.560 24.136 1.00 45.03 C ATOM 770 CG GLU A 49 14.672 -0.523 25.089 1.00 51.52 C ATOM 771 CD GLU A 49 15.715 -1.108 26.026 1.00 62.43 C ATOM 772 OE1 GLU A 49 16.892 -1.209 25.621 1.00 40.12 O ATOM 773 OE2 GLU A 49 15.361 -1.472 27.170 1.00 22.12 O1- ATOM 0 H GLU A 49 12.975 -2.946 22.401 1.00 62.50 H new ATOM 0 HA GLU A 49 12.231 -0.535 23.753 1.00 62.44 H new ATOM 0 HB2 GLU A 49 13.638 -2.364 24.720 1.00 45.03 H new ATOM 0 HB3 GLU A 49 14.896 -2.002 23.554 1.00 45.03 H new ATOM 0 HG2 GLU A 49 15.122 0.283 24.510 1.00 51.52 H new ATOM 0 HG3 GLU A 49 13.867 -0.082 25.678 1.00 51.52 H new ATOM 780 N GLU A 50 14.428 -0.336 21.284 1.00 73.11 N ATOM 781 CA GLU A 50 15.131 0.579 20.372 1.00 52.33 C ATOM 782 C GLU A 50 14.159 1.516 19.628 1.00 73.45 C ATOM 783 O GLU A 50 14.308 2.741 19.663 1.00 55.34 O ATOM 784 CB GLU A 50 15.952 -0.242 19.366 1.00 73.11 C ATOM 785 CG GLU A 50 16.813 0.590 18.421 1.00 12.12 C ATOM 786 CD GLU A 50 17.598 -0.275 17.446 1.00 3.23 C ATOM 787 OE1 GLU A 50 18.651 -0.818 17.834 1.00 73.11 O ATOM 788 OE2 GLU A 50 17.157 -0.431 16.287 1.00 62.13 O1- ATOM 0 H GLU A 50 14.584 -1.323 21.080 1.00 73.11 H new ATOM 0 HA GLU A 50 15.791 1.210 20.967 1.00 52.33 H new ATOM 0 HB2 GLU A 50 16.597 -0.927 19.916 1.00 73.11 H new ATOM 0 HB3 GLU A 50 15.271 -0.853 18.773 1.00 73.11 H new ATOM 0 HG2 GLU A 50 16.177 1.277 17.863 1.00 12.12 H new ATOM 0 HG3 GLU A 50 17.505 1.198 19.003 1.00 12.12 H new ATOM 795 N THR A 51 13.155 0.937 18.967 1.00 30.12 N ATOM 796 CA THR A 51 12.143 1.723 18.236 1.00 42.10 C ATOM 797 C THR A 51 10.993 2.160 19.158 1.00 11.53 C ATOM 798 O THR A 51 10.062 2.846 18.730 1.00 43.20 O ATOM 799 CB THR A 51 11.562 0.939 17.035 1.00 63.43 C ATOM 800 OG1 THR A 51 10.927 -0.263 17.488 1.00 15.10 O ATOM 801 CG2 THR A 51 12.653 0.594 16.026 1.00 42.11 C ATOM 0 H THR A 51 13.016 -0.072 18.919 1.00 30.12 H new ATOM 0 HA THR A 51 12.656 2.609 17.862 1.00 42.10 H new ATOM 0 HB THR A 51 10.825 1.575 16.544 1.00 63.43 H new ATOM 0 HG1 THR A 51 11.607 -0.946 17.666 1.00 15.10 H new ATOM 0 HG21 THR A 51 12.217 0.043 15.193 1.00 42.11 H new ATOM 0 HG22 THR A 51 13.109 1.512 15.655 1.00 42.11 H new ATOM 0 HG23 THR A 51 13.414 -0.020 16.508 1.00 42.11 H new ATOM 809 N ARG A 52 11.068 1.736 20.422 1.00 33.32 N ATOM 810 CA ARG A 52 10.173 2.207 21.494 1.00 60.30 C ATOM 811 C ARG A 52 8.692 1.835 21.265 1.00 74.53 C ATOM 812 O ARG A 52 7.791 2.512 21.765 1.00 5.44 O ATOM 813 CB ARG A 52 10.317 3.729 21.679 1.00 21.15 C ATOM 814 CG ARG A 52 11.770 4.219 21.694 1.00 75.23 C ATOM 815 CD ARG A 52 11.977 5.384 22.655 1.00 32.54 C ATOM 816 NE ARG A 52 11.889 4.940 24.044 1.00 64.30 N ATOM 817 CZ ARG A 52 11.556 5.696 25.049 1.00 32.44 C ATOM 818 NH1 ARG A 52 11.268 6.943 24.876 1.00 51.44 N1+ ATOM 819 NH2 ARG A 52 11.515 5.191 26.236 1.00 53.32 N ATOM 0 H ARG A 52 11.755 1.051 20.738 1.00 33.32 H new ATOM 0 HA ARG A 52 10.484 1.692 22.403 1.00 60.30 H new ATOM 0 HB2 ARG A 52 9.782 4.235 20.876 1.00 21.15 H new ATOM 0 HB3 ARG A 52 9.837 4.018 22.614 1.00 21.15 H new ATOM 0 HG2 ARG A 52 12.426 3.396 21.978 1.00 75.23 H new ATOM 0 HG3 ARG A 52 12.059 4.525 20.688 1.00 75.23 H new ATOM 0 HD2 ARG A 52 12.951 5.839 22.476 1.00 32.54 H new ATOM 0 HD3 ARG A 52 11.227 6.153 22.467 1.00 32.54 H new ATOM 0 HE ARG A 52 12.105 3.963 24.241 1.00 64.30 H new ATOM 0 HH11 ARG A 52 11.300 7.349 23.941 1.00 51.44 H new ATOM 0 HH12 ARG A 52 11.009 7.522 25.675 1.00 51.44 H new ATOM 0 HH21 ARG A 52 11.743 4.207 26.380 1.00 53.32 H new ATOM 0 HH22 ARG A 52 11.255 5.776 27.030 1.00 53.32 H new ATOM 833 N LEU A 53 8.442 0.735 20.557 1.00 61.13 N ATOM 834 CA LEU A 53 7.062 0.269 20.311 1.00 13.11 C ATOM 835 C LEU A 53 6.337 -0.139 21.608 1.00 11.52 C ATOM 836 O LEU A 53 5.118 -0.307 21.614 1.00 2.43 O ATOM 837 CB LEU A 53 7.045 -0.896 19.305 1.00 4.34 C ATOM 838 CG LEU A 53 6.887 -0.494 17.827 1.00 3.31 C ATOM 839 CD1 LEU A 53 5.514 0.128 17.579 1.00 3.10 C ATOM 840 CD2 LEU A 53 7.992 0.465 17.404 1.00 63.30 C ATOM 0 H LEU A 53 9.166 0.148 20.143 1.00 61.13 H new ATOM 0 HA LEU A 53 6.520 1.114 19.886 1.00 13.11 H new ATOM 0 HB2 LEU A 53 7.972 -1.460 19.413 1.00 4.34 H new ATOM 0 HB3 LEU A 53 6.230 -1.569 19.569 1.00 4.34 H new ATOM 0 HG LEU A 53 6.969 -1.397 17.222 1.00 3.31 H new ATOM 0 HD11 LEU A 53 5.424 0.404 16.528 1.00 3.10 H new ATOM 0 HD12 LEU A 53 4.737 -0.593 17.832 1.00 3.10 H new ATOM 0 HD13 LEU A 53 5.400 1.017 18.199 1.00 3.10 H new ATOM 0 HD21 LEU A 53 7.859 0.734 16.356 1.00 63.30 H new ATOM 0 HD22 LEU A 53 7.948 1.364 18.018 1.00 63.30 H new ATOM 0 HD23 LEU A 53 8.961 -0.016 17.534 1.00 63.30 H new ATOM 852 N GLY A 54 7.080 -0.294 22.703 1.00 33.21 N ATOM 853 CA GLY A 54 6.460 -0.581 23.996 1.00 45.32 C ATOM 854 C GLY A 54 5.479 0.510 24.432 1.00 54.32 C ATOM 855 O GLY A 54 4.476 0.237 25.095 1.00 1.12 O ATOM 0 H GLY A 54 8.098 -0.227 22.722 1.00 33.21 H new ATOM 0 HA2 GLY A 54 5.936 -1.535 23.940 1.00 45.32 H new ATOM 0 HA3 GLY A 54 7.238 -0.689 24.752 1.00 45.32 H new ATOM 859 N LYS A 55 5.781 1.750 24.055 1.00 44.13 N ATOM 860 CA LYS A 55 4.906 2.897 24.325 1.00 3.25 C ATOM 861 C LYS A 55 3.537 2.733 23.629 1.00 21.44 C ATOM 862 O LYS A 55 2.505 3.167 24.147 1.00 72.23 O ATOM 863 CB LYS A 55 5.594 4.187 23.850 1.00 71.43 C ATOM 864 CG LYS A 55 4.874 5.486 24.231 1.00 74.01 C ATOM 865 CD LYS A 55 5.236 5.988 25.638 1.00 21.44 C ATOM 866 CE LYS A 55 4.642 5.131 26.753 1.00 24.31 C ATOM 867 NZ LYS A 55 4.908 5.708 28.098 1.00 71.32 N1+ ATOM 0 H LYS A 55 6.636 1.992 23.555 1.00 44.13 H new ATOM 0 HA LYS A 55 4.727 2.952 25.399 1.00 3.25 H new ATOM 0 HB2 LYS A 55 6.603 4.215 24.261 1.00 71.43 H new ATOM 0 HB3 LYS A 55 5.693 4.149 22.765 1.00 71.43 H new ATOM 0 HG2 LYS A 55 5.121 6.258 23.502 1.00 74.01 H new ATOM 0 HG3 LYS A 55 3.797 5.327 24.175 1.00 74.01 H new ATOM 0 HD2 LYS A 55 6.321 6.007 25.742 1.00 21.44 H new ATOM 0 HD3 LYS A 55 4.887 7.014 25.752 1.00 21.44 H new ATOM 0 HE2 LYS A 55 3.566 5.037 26.605 1.00 24.31 H new ATOM 0 HE3 LYS A 55 5.060 4.126 26.700 1.00 24.31 H new ATOM 0 HZ1 LYS A 55 4.488 5.097 28.827 1.00 71.32 H new ATOM 0 HZ2 LYS A 55 5.935 5.774 28.250 1.00 71.32 H new ATOM 0 HZ3 LYS A 55 4.487 6.657 28.158 1.00 71.32 H new ATOM 881 N LEU A 56 3.550 2.081 22.463 1.00 60.13 N ATOM 882 CA LEU A 56 2.351 1.903 21.623 1.00 71.04 C ATOM 883 C LEU A 56 1.184 1.247 22.383 1.00 63.02 C ATOM 884 O LEU A 56 0.020 1.503 22.079 1.00 34.21 O ATOM 885 CB LEU A 56 2.691 1.071 20.377 1.00 21.25 C ATOM 886 CG LEU A 56 1.532 0.863 19.381 1.00 71.40 C ATOM 887 CD1 LEU A 56 1.063 2.197 18.802 1.00 71.12 C ATOM 888 CD2 LEU A 56 1.943 -0.099 18.267 1.00 52.22 C ATOM 0 H LEU A 56 4.391 1.659 22.070 1.00 60.13 H new ATOM 0 HA LEU A 56 2.026 2.900 21.326 1.00 71.04 H new ATOM 0 HB2 LEU A 56 3.515 1.554 19.853 1.00 21.25 H new ATOM 0 HB3 LEU A 56 3.049 0.094 20.701 1.00 21.25 H new ATOM 0 HG LEU A 56 0.696 0.420 19.922 1.00 71.40 H new ATOM 0 HD11 LEU A 56 0.245 2.023 18.103 1.00 71.12 H new ATOM 0 HD12 LEU A 56 0.718 2.843 19.609 1.00 71.12 H new ATOM 0 HD13 LEU A 56 1.890 2.678 18.280 1.00 71.12 H new ATOM 0 HD21 LEU A 56 1.111 -0.232 17.576 1.00 52.22 H new ATOM 0 HD22 LEU A 56 2.799 0.310 17.730 1.00 52.22 H new ATOM 0 HD23 LEU A 56 2.213 -1.063 18.699 1.00 52.22 H new ATOM 900 N ILE A 57 1.495 0.405 23.366 1.00 40.45 N ATOM 901 CA ILE A 57 0.467 -0.346 24.097 1.00 23.02 C ATOM 902 C ILE A 57 -0.597 0.592 24.699 1.00 21.20 C ATOM 903 O ILE A 57 -1.787 0.269 24.713 1.00 71.24 O ATOM 904 CB ILE A 57 1.117 -1.183 25.230 1.00 13.41 C ATOM 905 CG1 ILE A 57 2.105 -2.209 24.639 1.00 41.22 C ATOM 906 CG2 ILE A 57 0.055 -1.878 26.084 1.00 41.43 C ATOM 907 CD1 ILE A 57 2.830 -3.042 25.679 1.00 3.53 C ATOM 0 H ILE A 57 2.449 0.223 23.677 1.00 40.45 H new ATOM 0 HA ILE A 57 -0.023 -1.010 23.385 1.00 23.02 H new ATOM 0 HB ILE A 57 1.670 -0.504 25.880 1.00 13.41 H new ATOM 0 HG12 ILE A 57 1.562 -2.876 23.969 1.00 41.22 H new ATOM 0 HG13 ILE A 57 2.842 -1.681 24.034 1.00 41.22 H new ATOM 0 HG21 ILE A 57 0.541 -2.457 26.869 1.00 41.43 H new ATOM 0 HG22 ILE A 57 -0.596 -1.129 26.535 1.00 41.43 H new ATOM 0 HG23 ILE A 57 -0.538 -2.544 25.457 1.00 41.43 H new ATOM 0 HD11 ILE A 57 3.505 -3.738 25.181 1.00 3.53 H new ATOM 0 HD12 ILE A 57 3.403 -2.387 26.335 1.00 3.53 H new ATOM 0 HD13 ILE A 57 2.103 -3.601 26.269 1.00 3.53 H new ATOM 919 N ASN A 58 -0.166 1.751 25.190 1.00 41.21 N ATOM 920 CA ASN A 58 -1.097 2.782 25.667 1.00 63.04 C ATOM 921 C ASN A 58 -1.842 3.450 24.492 1.00 5.51 C ATOM 922 O ASN A 58 -3.032 3.756 24.585 1.00 11.02 O ATOM 923 CB ASN A 58 -0.336 3.841 26.477 1.00 55.35 C ATOM 924 CG ASN A 58 -1.248 4.903 27.074 1.00 22.45 C ATOM 925 OD1 ASN A 58 -2.395 4.641 27.420 1.00 72.30 O ATOM 926 ND2 ASN A 58 -0.744 6.116 27.195 1.00 21.00 N ATOM 0 H ASN A 58 0.819 2.004 25.270 1.00 41.21 H new ATOM 0 HA ASN A 58 -1.837 2.301 26.306 1.00 63.04 H new ATOM 0 HB2 ASN A 58 0.214 3.350 27.280 1.00 55.35 H new ATOM 0 HB3 ASN A 58 0.400 4.323 25.834 1.00 55.35 H new ATOM 0 HD21 ASN A 58 -1.312 6.868 27.586 1.00 21.00 H new ATOM 0 HD22 ASN A 58 0.214 6.302 26.898 1.00 21.00 H new ATOM 933 N ASP A 59 -1.131 3.646 23.382 1.00 13.43 N ATOM 934 CA ASP A 59 -1.645 4.413 22.239 1.00 44.13 C ATOM 935 C ASP A 59 -2.776 3.674 21.490 1.00 11.01 C ATOM 936 O ASP A 59 -3.821 4.261 21.185 1.00 43.53 O ATOM 937 CB ASP A 59 -0.480 4.696 21.278 1.00 51.31 C ATOM 938 CG ASP A 59 -0.876 5.600 20.127 1.00 45.32 C ATOM 939 OD1 ASP A 59 -1.489 5.112 19.161 1.00 14.40 O ATOM 940 OD2 ASP A 59 -0.610 6.812 20.202 1.00 31.14 O1- ATOM 0 H ASP A 59 -0.188 3.282 23.246 1.00 13.43 H new ATOM 0 HA ASP A 59 -2.073 5.342 22.617 1.00 44.13 H new ATOM 0 HB2 ASP A 59 0.338 5.157 21.831 1.00 51.31 H new ATOM 0 HB3 ASP A 59 -0.105 3.753 20.881 1.00 51.31 H new ATOM 945 N VAL A 60 -2.578 2.384 21.227 1.00 55.13 N ATOM 946 CA VAL A 60 -3.562 1.579 20.490 1.00 54.15 C ATOM 947 C VAL A 60 -4.773 1.236 21.371 1.00 54.55 C ATOM 948 O VAL A 60 -5.895 1.085 20.883 1.00 24.31 O ATOM 949 CB VAL A 60 -2.920 0.272 19.947 1.00 44.52 C ATOM 950 CG1 VAL A 60 -2.401 -0.605 21.087 1.00 60.13 C ATOM 951 CG2 VAL A 60 -3.904 -0.498 19.064 1.00 63.01 C ATOM 0 H VAL A 60 -1.745 1.869 21.512 1.00 55.13 H new ATOM 0 HA VAL A 60 -3.904 2.179 19.647 1.00 54.15 H new ATOM 0 HB VAL A 60 -2.066 0.553 19.330 1.00 44.52 H new ATOM 0 HG11 VAL A 60 -1.958 -1.512 20.676 1.00 60.13 H new ATOM 0 HG12 VAL A 60 -1.648 -0.057 21.653 1.00 60.13 H new ATOM 0 HG13 VAL A 60 -3.227 -0.872 21.746 1.00 60.13 H new ATOM 0 HG21 VAL A 60 -3.429 -1.408 18.698 1.00 63.01 H new ATOM 0 HG22 VAL A 60 -4.788 -0.759 19.646 1.00 63.01 H new ATOM 0 HG23 VAL A 60 -4.197 0.124 18.218 1.00 63.01 H new ATOM 961 N ARG A 61 -4.533 1.150 22.677 1.00 13.34 N ATOM 962 CA ARG A 61 -5.569 0.795 23.652 1.00 42.25 C ATOM 963 C ARG A 61 -6.774 1.754 23.586 1.00 22.13 C ATOM 964 O ARG A 61 -7.917 1.348 23.802 1.00 63.10 O ATOM 965 CB ARG A 61 -4.951 0.804 25.057 1.00 73.21 C ATOM 966 CG ARG A 61 -5.887 0.340 26.169 1.00 14.55 C ATOM 967 CD ARG A 61 -5.168 0.301 27.513 1.00 20.01 C ATOM 968 NE ARG A 61 -6.039 -0.149 28.595 1.00 32.53 N ATOM 969 CZ ARG A 61 -5.616 -0.604 29.744 1.00 15.35 C ATOM 970 NH1 ARG A 61 -4.352 -0.701 30.000 1.00 65.13 N1+ ATOM 971 NH2 ARG A 61 -6.470 -0.965 30.641 1.00 2.31 N ATOM 0 H ARG A 61 -3.618 1.324 23.092 1.00 13.34 H new ATOM 0 HA ARG A 61 -5.944 -0.201 23.414 1.00 42.25 H new ATOM 0 HB2 ARG A 61 -4.068 0.166 25.054 1.00 73.21 H new ATOM 0 HB3 ARG A 61 -4.613 1.815 25.284 1.00 73.21 H new ATOM 0 HG2 ARG A 61 -6.744 1.011 26.231 1.00 14.55 H new ATOM 0 HG3 ARG A 61 -6.275 -0.651 25.932 1.00 14.55 H new ATOM 0 HD2 ARG A 61 -4.307 -0.364 27.443 1.00 20.01 H new ATOM 0 HD3 ARG A 61 -4.786 1.295 27.747 1.00 20.01 H new ATOM 0 HE ARG A 61 -7.047 -0.105 28.443 1.00 32.53 H new ATOM 0 HH11 ARG A 61 -3.667 -0.420 29.299 1.00 65.13 H new ATOM 0 HH12 ARG A 61 -4.041 -1.059 30.903 1.00 65.13 H new ATOM 0 HH21 ARG A 61 -7.470 -0.894 30.451 1.00 2.31 H new ATOM 0 HH22 ARG A 61 -6.146 -1.321 31.540 1.00 2.31 H new ATOM 985 N LYS A 62 -6.511 3.026 23.291 1.00 71.15 N ATOM 986 CA LYS A 62 -7.575 4.040 23.205 1.00 34.50 C ATOM 987 C LYS A 62 -8.207 4.138 21.806 1.00 60.25 C ATOM 988 O LYS A 62 -9.411 4.375 21.682 1.00 33.25 O ATOM 989 CB LYS A 62 -7.026 5.410 23.634 1.00 73.32 C ATOM 990 CG LYS A 62 -6.927 5.568 25.147 1.00 35.01 C ATOM 991 CD LYS A 62 -8.314 5.640 25.783 1.00 42.12 C ATOM 992 CE LYS A 62 -8.263 5.541 27.301 1.00 12.53 C ATOM 993 NZ LYS A 62 -7.797 4.204 27.759 1.00 35.41 N1+ ATOM 0 H LYS A 62 -5.574 3.384 23.107 1.00 71.15 H new ATOM 0 HA LYS A 62 -8.368 3.724 23.883 1.00 34.50 H new ATOM 0 HB2 LYS A 62 -6.039 5.553 23.195 1.00 73.32 H new ATOM 0 HB3 LYS A 62 -7.669 6.194 23.234 1.00 73.32 H new ATOM 0 HG2 LYS A 62 -6.373 4.729 25.568 1.00 35.01 H new ATOM 0 HG3 LYS A 62 -6.366 6.472 25.386 1.00 35.01 H new ATOM 0 HD2 LYS A 62 -8.793 6.577 25.499 1.00 42.12 H new ATOM 0 HD3 LYS A 62 -8.933 4.834 25.390 1.00 42.12 H new ATOM 0 HE2 LYS A 62 -7.597 6.310 27.692 1.00 12.53 H new ATOM 0 HE3 LYS A 62 -9.254 5.739 27.710 1.00 12.53 H new ATOM 0 HZ1 LYS A 62 -8.014 4.088 28.769 1.00 35.41 H new ATOM 0 HZ2 LYS A 62 -8.281 3.462 27.213 1.00 35.41 H new ATOM 0 HZ3 LYS A 62 -6.770 4.126 27.615 1.00 35.41 H new ATOM 1007 N LYS A 63 -7.414 3.947 20.755 1.00 23.00 N ATOM 1008 CA LYS A 63 -7.914 4.133 19.383 1.00 45.35 C ATOM 1009 C LYS A 63 -8.151 2.812 18.631 1.00 54.23 C ATOM 1010 O LYS A 63 -8.293 2.816 17.408 1.00 72.24 O ATOM 1011 CB LYS A 63 -6.975 5.039 18.575 1.00 13.10 C ATOM 1012 CG LYS A 63 -6.966 6.497 19.045 1.00 73.35 C ATOM 1013 CD LYS A 63 -5.813 6.795 19.994 1.00 3.25 C ATOM 1014 CE LYS A 63 -4.472 6.698 19.283 1.00 21.30 C ATOM 1015 NZ LYS A 63 -3.351 7.044 20.184 1.00 42.25 N1+ ATOM 0 H LYS A 63 -6.435 3.667 20.818 1.00 23.00 H new ATOM 0 HA LYS A 63 -8.887 4.614 19.485 1.00 45.35 H new ATOM 0 HB2 LYS A 63 -5.962 4.642 18.635 1.00 13.10 H new ATOM 0 HB3 LYS A 63 -7.269 5.007 17.526 1.00 13.10 H new ATOM 0 HG2 LYS A 63 -6.899 7.155 18.178 1.00 73.35 H new ATOM 0 HG3 LYS A 63 -7.910 6.721 19.543 1.00 73.35 H new ATOM 0 HD2 LYS A 63 -5.933 7.794 20.413 1.00 3.25 H new ATOM 0 HD3 LYS A 63 -5.836 6.094 20.829 1.00 3.25 H new ATOM 0 HE2 LYS A 63 -4.334 5.686 18.902 1.00 21.30 H new ATOM 0 HE3 LYS A 63 -4.467 7.366 18.422 1.00 21.30 H new ATOM 0 HZ1 LYS A 63 -2.459 7.033 19.649 1.00 42.25 H new ATOM 0 HZ2 LYS A 63 -3.505 7.993 20.581 1.00 42.25 H new ATOM 0 HZ3 LYS A 63 -3.300 6.350 20.957 1.00 42.25 H new ATOM 1029 N THR A 64 -8.201 1.685 19.343 1.00 24.54 N ATOM 1030 CA THR A 64 -8.549 0.412 18.698 1.00 54.44 C ATOM 1031 C THR A 64 -9.984 0.464 18.151 1.00 1.40 C ATOM 1032 O THR A 64 -10.931 0.766 18.882 1.00 23.25 O ATOM 1033 CB THR A 64 -8.415 -0.799 19.659 1.00 12.54 C ATOM 1034 OG1 THR A 64 -8.897 -1.992 19.016 1.00 73.20 O ATOM 1035 CG2 THR A 64 -9.178 -0.572 20.962 1.00 12.23 C ATOM 0 H THR A 64 -8.010 1.623 20.343 1.00 24.54 H new ATOM 0 HA THR A 64 -7.840 0.273 17.882 1.00 54.44 H new ATOM 0 HB THR A 64 -7.359 -0.913 19.903 1.00 12.54 H new ATOM 0 HG1 THR A 64 -9.731 -2.279 19.443 1.00 73.20 H new ATOM 0 HG21 THR A 64 -9.060 -1.441 21.609 1.00 12.23 H new ATOM 0 HG22 THR A 64 -8.784 0.311 21.465 1.00 12.23 H new ATOM 0 HG23 THR A 64 -10.235 -0.423 20.743 1.00 12.23 H new ATOM 1043 N LYS A 65 -10.136 0.168 16.858 1.00 2.00 N ATOM 1044 CA LYS A 65 -11.431 0.302 16.177 1.00 53.05 C ATOM 1045 C LYS A 65 -12.535 -0.534 16.849 1.00 21.33 C ATOM 1046 O LYS A 65 -13.699 -0.129 16.887 1.00 11.53 O ATOM 1047 CB LYS A 65 -11.284 -0.046 14.677 1.00 74.22 C ATOM 1048 CG LYS A 65 -10.624 -1.399 14.380 1.00 54.14 C ATOM 1049 CD LYS A 65 -11.610 -2.574 14.389 1.00 33.35 C ATOM 1050 CE LYS A 65 -12.618 -2.510 13.235 1.00 31.22 C ATOM 1051 NZ LYS A 65 -13.726 -1.547 13.487 1.00 31.53 N1+ ATOM 0 H LYS A 65 -9.380 -0.166 16.260 1.00 2.00 H new ATOM 0 HA LYS A 65 -11.745 1.342 16.261 1.00 53.05 H new ATOM 0 HB2 LYS A 65 -12.273 -0.035 14.220 1.00 74.22 H new ATOM 0 HB3 LYS A 65 -10.701 0.738 14.194 1.00 74.22 H new ATOM 0 HG2 LYS A 65 -10.137 -1.351 13.406 1.00 54.14 H new ATOM 0 HG3 LYS A 65 -9.844 -1.584 15.118 1.00 54.14 H new ATOM 0 HD2 LYS A 65 -11.054 -3.510 14.329 1.00 33.35 H new ATOM 0 HD3 LYS A 65 -12.149 -2.584 15.336 1.00 33.35 H new ATOM 0 HE2 LYS A 65 -12.098 -2.226 12.320 1.00 31.22 H new ATOM 0 HE3 LYS A 65 -13.037 -3.503 13.069 1.00 31.22 H new ATOM 0 HZ1 LYS A 65 -14.627 -1.966 13.179 1.00 31.53 H new ATOM 0 HZ2 LYS A 65 -13.774 -1.331 14.503 1.00 31.53 H new ATOM 0 HZ3 LYS A 65 -13.552 -0.671 12.955 1.00 31.53 H new ATOM 1065 N ASN A 66 -12.167 -1.697 17.376 1.00 14.51 N ATOM 1066 CA ASN A 66 -13.107 -2.547 18.114 1.00 24.41 C ATOM 1067 C ASN A 66 -12.558 -2.891 19.508 1.00 30.45 C ATOM 1068 O ASN A 66 -11.557 -3.599 19.636 1.00 13.25 O ATOM 1069 CB ASN A 66 -13.413 -3.820 17.315 1.00 72.21 C ATOM 1070 CG ASN A 66 -14.366 -4.759 18.033 1.00 64.13 C ATOM 1071 OD1 ASN A 66 -15.149 -4.345 18.879 1.00 43.05 O ATOM 1072 ND2 ASN A 66 -14.319 -6.030 17.693 1.00 72.21 N ATOM 0 H ASN A 66 -11.223 -2.077 17.308 1.00 14.51 H new ATOM 0 HA ASN A 66 -14.037 -1.995 18.251 1.00 24.41 H new ATOM 0 HB2 ASN A 66 -13.842 -3.543 16.352 1.00 72.21 H new ATOM 0 HB3 ASN A 66 -12.481 -4.346 17.109 1.00 72.21 H new ATOM 0 HD21 ASN A 66 -14.946 -6.700 18.138 1.00 72.21 H new ATOM 0 HD22 ASN A 66 -13.656 -6.344 16.985 1.00 72.21 H new ATOM 1079 N GLU A 67 -13.220 -2.388 20.547 1.00 21.05 N ATOM 1080 CA GLU A 67 -12.806 -2.643 21.933 1.00 32.35 C ATOM 1081 C GLU A 67 -12.863 -4.142 22.266 1.00 52.22 C ATOM 1082 O GLU A 67 -12.007 -4.668 22.978 1.00 75.00 O ATOM 1083 CB GLU A 67 -13.692 -1.846 22.903 1.00 61.44 C ATOM 1084 CG GLU A 67 -13.339 -2.043 24.375 1.00 12.41 C ATOM 1085 CD GLU A 67 -14.169 -1.164 25.297 1.00 14.14 C ATOM 1086 OE1 GLU A 67 -15.288 -1.575 25.673 1.00 45.14 O ATOM 1087 OE2 GLU A 67 -13.708 -0.052 25.638 1.00 64.32 O1- ATOM 0 H GLU A 67 -14.048 -1.799 20.460 1.00 21.05 H new ATOM 0 HA GLU A 67 -11.772 -2.316 22.043 1.00 32.35 H new ATOM 0 HB2 GLU A 67 -13.615 -0.786 22.661 1.00 61.44 H new ATOM 0 HB3 GLU A 67 -14.732 -2.134 22.748 1.00 61.44 H new ATOM 0 HG2 GLU A 67 -13.488 -3.089 24.644 1.00 12.41 H new ATOM 0 HG3 GLU A 67 -12.282 -1.823 24.524 1.00 12.41 H new ATOM 1094 N GLU A 68 -13.870 -4.826 21.729 1.00 50.35 N ATOM 1095 CA GLU A 68 -14.017 -6.274 21.919 1.00 44.12 C ATOM 1096 C GLU A 68 -12.855 -7.037 21.252 1.00 53.43 C ATOM 1097 O GLU A 68 -12.429 -8.092 21.727 1.00 32.54 O ATOM 1098 CB GLU A 68 -15.373 -6.730 21.355 1.00 11.34 C ATOM 1099 CG GLU A 68 -16.555 -5.975 21.965 1.00 70.35 C ATOM 1100 CD GLU A 68 -17.898 -6.350 21.358 1.00 21.24 C ATOM 1101 OE1 GLU A 68 -18.221 -5.851 20.259 1.00 60.15 O ATOM 1102 OE2 GLU A 68 -18.647 -7.129 21.986 1.00 1.13 O1- ATOM 0 H GLU A 68 -14.600 -4.403 21.156 1.00 50.35 H new ATOM 0 HA GLU A 68 -13.985 -6.498 22.985 1.00 44.12 H new ATOM 0 HB2 GLU A 68 -15.377 -6.589 20.274 1.00 11.34 H new ATOM 0 HB3 GLU A 68 -15.497 -7.797 21.538 1.00 11.34 H new ATOM 0 HG2 GLU A 68 -16.584 -6.168 23.037 1.00 70.35 H new ATOM 0 HG3 GLU A 68 -16.395 -4.904 21.839 1.00 70.35 H new ATOM 1109 N LEU A 69 -12.349 -6.478 20.156 1.00 10.33 N ATOM 1110 CA LEU A 69 -11.174 -7.011 19.451 1.00 65.43 C ATOM 1111 C LEU A 69 -9.898 -6.821 20.292 1.00 75.44 C ATOM 1112 O LEU A 69 -8.988 -7.646 20.252 1.00 32.15 O ATOM 1113 CB LEU A 69 -11.041 -6.330 18.072 1.00 62.33 C ATOM 1114 CG LEU A 69 -10.008 -6.933 17.091 1.00 73.54 C ATOM 1115 CD1 LEU A 69 -10.370 -6.580 15.648 1.00 44.31 C ATOM 1116 CD2 LEU A 69 -8.590 -6.448 17.405 1.00 51.03 C ATOM 0 H LEU A 69 -12.740 -5.640 19.726 1.00 10.33 H new ATOM 0 HA LEU A 69 -11.308 -8.082 19.298 1.00 65.43 H new ATOM 0 HB2 LEU A 69 -12.018 -6.348 17.589 1.00 62.33 H new ATOM 0 HB3 LEU A 69 -10.784 -5.283 18.234 1.00 62.33 H new ATOM 0 HG LEU A 69 -10.033 -8.016 17.212 1.00 73.54 H new ATOM 0 HD11 LEU A 69 -9.633 -7.012 14.972 1.00 44.31 H new ATOM 0 HD12 LEU A 69 -11.357 -6.979 15.412 1.00 44.31 H new ATOM 0 HD13 LEU A 69 -10.379 -5.496 15.530 1.00 44.31 H new ATOM 0 HD21 LEU A 69 -7.889 -6.890 16.697 1.00 51.03 H new ATOM 0 HD22 LEU A 69 -8.551 -5.362 17.324 1.00 51.03 H new ATOM 0 HD23 LEU A 69 -8.319 -6.746 18.418 1.00 51.03 H new ATOM 1128 N ALA A 70 -9.848 -5.730 21.061 1.00 60.10 N ATOM 1129 CA ALA A 70 -8.661 -5.377 21.857 1.00 3.24 C ATOM 1130 C ALA A 70 -8.191 -6.537 22.755 1.00 63.32 C ATOM 1131 O ALA A 70 -7.001 -6.663 23.045 1.00 54.35 O ATOM 1132 CB ALA A 70 -8.938 -4.135 22.697 1.00 31.10 C ATOM 0 H ALA A 70 -10.620 -5.069 21.152 1.00 60.10 H new ATOM 0 HA ALA A 70 -7.854 -5.166 21.156 1.00 3.24 H new ATOM 0 HB1 ALA A 70 -8.052 -3.885 23.281 1.00 31.10 H new ATOM 0 HB2 ALA A 70 -9.188 -3.301 22.042 1.00 31.10 H new ATOM 0 HB3 ALA A 70 -9.773 -4.330 23.370 1.00 31.10 H new ATOM 1138 N LYS A 71 -9.125 -7.374 23.202 1.00 0.21 N ATOM 1139 CA LYS A 71 -8.784 -8.569 23.987 1.00 74.13 C ATOM 1140 C LYS A 71 -7.812 -9.492 23.217 1.00 71.34 C ATOM 1141 O LYS A 71 -6.945 -10.132 23.818 1.00 4.13 O ATOM 1142 CB LYS A 71 -10.055 -9.328 24.403 1.00 71.04 C ATOM 1143 CG LYS A 71 -10.802 -8.691 25.582 1.00 3.40 C ATOM 1144 CD LYS A 71 -11.286 -7.268 25.280 1.00 23.11 C ATOM 1145 CE LYS A 71 -11.905 -6.601 26.506 1.00 72.41 C ATOM 1146 NZ LYS A 71 -13.121 -7.311 26.978 1.00 2.14 N1+ ATOM 0 H LYS A 71 -10.124 -7.251 23.037 1.00 0.21 H new ATOM 0 HA LYS A 71 -8.273 -8.239 24.892 1.00 74.13 H new ATOM 0 HB2 LYS A 71 -10.728 -9.386 23.548 1.00 71.04 H new ATOM 0 HB3 LYS A 71 -9.786 -10.351 24.666 1.00 71.04 H new ATOM 0 HG2 LYS A 71 -11.658 -9.313 25.843 1.00 3.40 H new ATOM 0 HG3 LYS A 71 -10.147 -8.670 26.453 1.00 3.40 H new ATOM 0 HD2 LYS A 71 -10.448 -6.668 24.925 1.00 23.11 H new ATOM 0 HD3 LYS A 71 -12.020 -7.298 24.475 1.00 23.11 H new ATOM 0 HE2 LYS A 71 -11.170 -6.569 27.310 1.00 72.41 H new ATOM 0 HE3 LYS A 71 -12.159 -5.569 26.266 1.00 72.41 H new ATOM 0 HZ1 LYS A 71 -13.554 -6.776 27.758 1.00 2.14 H new ATOM 0 HZ2 LYS A 71 -13.801 -7.394 26.195 1.00 2.14 H new ATOM 0 HZ3 LYS A 71 -12.861 -8.261 27.312 1.00 2.14 H new ATOM 1160 N ARG A 72 -7.963 -9.558 21.891 1.00 65.10 N ATOM 1161 CA ARG A 72 -6.990 -10.253 21.033 1.00 4.53 C ATOM 1162 C ARG A 72 -5.589 -9.637 21.193 1.00 23.42 C ATOM 1163 O ARG A 72 -4.591 -10.349 21.334 1.00 44.14 O ATOM 1164 CB ARG A 72 -7.408 -10.160 19.558 1.00 13.45 C ATOM 1165 CG ARG A 72 -8.608 -11.019 19.173 1.00 72.23 C ATOM 1166 CD ARG A 72 -9.069 -10.723 17.743 1.00 71.34 C ATOM 1167 NE ARG A 72 -7.951 -10.654 16.795 1.00 13.25 N ATOM 1168 CZ ARG A 72 -8.077 -10.744 15.497 1.00 33.23 C ATOM 1169 NH1 ARG A 72 -9.235 -10.940 14.950 1.00 21.22 N1+ ATOM 1170 NH2 ARG A 72 -7.041 -10.618 14.737 1.00 25.44 N ATOM 0 H ARG A 72 -8.746 -9.141 21.387 1.00 65.10 H new ATOM 0 HA ARG A 72 -6.964 -11.299 21.339 1.00 4.53 H new ATOM 0 HB2 ARG A 72 -7.635 -9.120 19.325 1.00 13.45 H new ATOM 0 HB3 ARG A 72 -6.560 -10.448 18.937 1.00 13.45 H new ATOM 0 HG2 ARG A 72 -8.347 -12.073 19.262 1.00 72.23 H new ATOM 0 HG3 ARG A 72 -9.428 -10.834 19.867 1.00 72.23 H new ATOM 0 HD2 ARG A 72 -9.766 -11.497 17.422 1.00 71.34 H new ATOM 0 HD3 ARG A 72 -9.613 -9.778 17.728 1.00 71.34 H new ATOM 0 HE ARG A 72 -7.013 -10.527 17.174 1.00 13.25 H new ATOM 0 HH11 ARG A 72 -10.067 -11.027 15.534 1.00 21.22 H new ATOM 0 HH12 ARG A 72 -9.315 -11.008 13.935 1.00 21.22 H new ATOM 0 HH21 ARG A 72 -6.124 -10.448 15.149 1.00 25.44 H new ATOM 0 HH22 ARG A 72 -7.140 -10.688 13.724 1.00 25.44 H new ATOM 1184 N ALA A 73 -5.525 -8.308 21.162 1.00 73.42 N ATOM 1185 CA ALA A 73 -4.267 -7.586 21.372 1.00 61.10 C ATOM 1186 C ALA A 73 -3.703 -7.860 22.774 1.00 5.45 C ATOM 1187 O ALA A 73 -2.498 -7.996 22.953 1.00 13.13 O ATOM 1188 CB ALA A 73 -4.470 -6.089 21.159 1.00 21.24 C ATOM 0 H ALA A 73 -6.331 -7.705 20.993 1.00 73.42 H new ATOM 0 HA ALA A 73 -3.543 -7.946 20.641 1.00 61.10 H new ATOM 0 HB1 ALA A 73 -3.526 -5.567 21.319 1.00 21.24 H new ATOM 0 HB2 ALA A 73 -4.816 -5.910 20.141 1.00 21.24 H new ATOM 0 HB3 ALA A 73 -5.213 -5.719 21.865 1.00 21.24 H new ATOM 1194 N LYS A 74 -4.591 -7.957 23.759 1.00 5.33 N ATOM 1195 CA LYS A 74 -4.206 -8.312 25.132 1.00 33.45 C ATOM 1196 C LYS A 74 -3.445 -9.653 25.140 1.00 42.12 C ATOM 1197 O LYS A 74 -2.465 -9.824 25.870 1.00 11.54 O ATOM 1198 CB LYS A 74 -5.477 -8.373 26.010 1.00 71.25 C ATOM 1199 CG LYS A 74 -5.246 -8.510 27.521 1.00 33.22 C ATOM 1200 CD LYS A 74 -4.964 -9.950 27.951 1.00 43.53 C ATOM 1201 CE LYS A 74 -5.053 -10.114 29.464 1.00 15.24 C ATOM 1202 NZ LYS A 74 -4.110 -9.220 30.184 1.00 11.31 N1+ ATOM 0 H LYS A 74 -5.590 -7.794 23.636 1.00 5.33 H new ATOM 0 HA LYS A 74 -3.537 -7.555 25.541 1.00 33.45 H new ATOM 0 HB2 LYS A 74 -6.061 -7.470 25.832 1.00 71.25 H new ATOM 0 HB3 LYS A 74 -6.084 -9.215 25.678 1.00 71.25 H new ATOM 0 HG2 LYS A 74 -4.408 -7.878 27.814 1.00 33.22 H new ATOM 0 HG3 LYS A 74 -6.124 -8.143 28.053 1.00 33.22 H new ATOM 0 HD2 LYS A 74 -5.677 -10.620 27.470 1.00 43.53 H new ATOM 0 HD3 LYS A 74 -3.971 -10.244 27.611 1.00 43.53 H new ATOM 0 HE2 LYS A 74 -6.071 -9.903 29.791 1.00 15.24 H new ATOM 0 HE3 LYS A 74 -4.841 -11.150 29.728 1.00 15.24 H new ATOM 0 HZ1 LYS A 74 -4.120 -9.449 31.198 1.00 11.31 H new ATOM 0 HZ2 LYS A 74 -3.149 -9.354 29.808 1.00 11.31 H new ATOM 0 HZ3 LYS A 74 -4.399 -8.230 30.050 1.00 11.31 H new ATOM 1216 N LYS A 75 -3.909 -10.598 24.319 1.00 23.34 N ATOM 1217 CA LYS A 75 -3.218 -11.881 24.125 1.00 30.53 C ATOM 1218 C LYS A 75 -1.846 -11.693 23.442 1.00 44.51 C ATOM 1219 O LYS A 75 -0.838 -12.249 23.883 1.00 23.14 O ATOM 1220 CB LYS A 75 -4.088 -12.830 23.282 1.00 42.11 C ATOM 1221 CG LYS A 75 -5.414 -13.214 23.934 1.00 21.44 C ATOM 1222 CD LYS A 75 -5.210 -14.028 25.209 1.00 61.44 C ATOM 1223 CE LYS A 75 -6.534 -14.528 25.781 1.00 63.44 C ATOM 1224 NZ LYS A 75 -7.427 -13.409 26.193 1.00 2.43 N1+ ATOM 0 H LYS A 75 -4.765 -10.500 23.774 1.00 23.34 H new ATOM 0 HA LYS A 75 -3.049 -12.315 25.111 1.00 30.53 H new ATOM 0 HB2 LYS A 75 -4.293 -12.359 22.321 1.00 42.11 H new ATOM 0 HB3 LYS A 75 -3.521 -13.738 23.077 1.00 42.11 H new ATOM 0 HG2 LYS A 75 -5.978 -12.311 24.167 1.00 21.44 H new ATOM 0 HG3 LYS A 75 -6.012 -13.790 23.228 1.00 21.44 H new ATOM 0 HD2 LYS A 75 -4.561 -14.878 24.997 1.00 61.44 H new ATOM 0 HD3 LYS A 75 -4.701 -13.416 25.953 1.00 61.44 H new ATOM 0 HE2 LYS A 75 -7.042 -15.140 25.036 1.00 63.44 H new ATOM 0 HE3 LYS A 75 -6.338 -15.169 26.640 1.00 63.44 H new ATOM 0 HZ1 LYS A 75 -8.277 -13.794 26.652 1.00 2.43 H new ATOM 0 HZ2 LYS A 75 -6.923 -12.790 26.860 1.00 2.43 H new ATOM 0 HZ3 LYS A 75 -7.705 -12.860 25.355 1.00 2.43 H new ATOM 1238 N LEU A 76 -1.823 -10.904 22.365 1.00 63.12 N ATOM 1239 CA LEU A 76 -0.614 -10.715 21.540 1.00 2.41 C ATOM 1240 C LEU A 76 0.498 -9.965 22.305 1.00 60.42 C ATOM 1241 O LEU A 76 1.663 -10.364 22.277 1.00 21.42 O ATOM 1242 CB LEU A 76 -0.994 -9.963 20.244 1.00 54.14 C ATOM 1243 CG LEU A 76 0.056 -9.942 19.106 1.00 43.04 C ATOM 1244 CD1 LEU A 76 1.195 -8.961 19.397 1.00 44.24 C ATOM 1245 CD2 LEU A 76 0.601 -11.349 18.846 1.00 3.03 C ATOM 0 H LEU A 76 -2.633 -10.379 22.037 1.00 63.12 H new ATOM 0 HA LEU A 76 -0.213 -11.697 21.289 1.00 2.41 H new ATOM 0 HB2 LEU A 76 -1.909 -10.407 19.852 1.00 54.14 H new ATOM 0 HB3 LEU A 76 -1.227 -8.931 20.508 1.00 54.14 H new ATOM 0 HG LEU A 76 -0.448 -9.594 18.204 1.00 43.04 H new ATOM 0 HD11 LEU A 76 1.909 -8.978 18.574 1.00 44.24 H new ATOM 0 HD12 LEU A 76 0.790 -7.955 19.505 1.00 44.24 H new ATOM 0 HD13 LEU A 76 1.698 -9.251 20.319 1.00 44.24 H new ATOM 0 HD21 LEU A 76 1.337 -11.311 18.043 1.00 3.03 H new ATOM 0 HD22 LEU A 76 1.072 -11.730 19.752 1.00 3.03 H new ATOM 0 HD23 LEU A 76 -0.217 -12.009 18.557 1.00 3.03 H new ATOM 1257 N LEU A 77 0.124 -8.894 22.999 1.00 23.10 N ATOM 1258 CA LEU A 77 1.082 -8.038 23.723 1.00 25.50 C ATOM 1259 C LEU A 77 1.937 -8.837 24.720 1.00 14.52 C ATOM 1260 O LEU A 77 3.086 -8.476 24.994 1.00 31.41 O ATOM 1261 CB LEU A 77 0.333 -6.897 24.435 1.00 51.43 C ATOM 1262 CG LEU A 77 0.088 -5.628 23.589 1.00 51.55 C ATOM 1263 CD1 LEU A 77 -0.365 -5.971 22.171 1.00 65.02 C ATOM 1264 CD2 LEU A 77 -0.933 -4.722 24.272 1.00 40.03 C ATOM 0 H LEU A 77 -0.846 -8.589 23.080 1.00 23.10 H new ATOM 0 HA LEU A 77 1.768 -7.614 22.990 1.00 25.50 H new ATOM 0 HB2 LEU A 77 -0.630 -7.276 24.776 1.00 51.43 H new ATOM 0 HB3 LEU A 77 0.897 -6.616 25.324 1.00 51.43 H new ATOM 0 HG LEU A 77 1.036 -5.096 23.510 1.00 51.55 H new ATOM 0 HD11 LEU A 77 -0.527 -5.052 21.608 1.00 65.02 H new ATOM 0 HD12 LEU A 77 0.402 -6.568 21.678 1.00 65.02 H new ATOM 0 HD13 LEU A 77 -1.295 -6.539 22.213 1.00 65.02 H new ATOM 0 HD21 LEU A 77 -1.095 -3.832 23.663 1.00 40.03 H new ATOM 0 HD22 LEU A 77 -1.875 -5.258 24.388 1.00 40.03 H new ATOM 0 HD23 LEU A 77 -0.560 -4.428 25.253 1.00 40.03 H new ATOM 1276 N ARG A 78 1.377 -9.922 25.259 1.00 13.10 N ATOM 1277 CA ARG A 78 2.112 -10.790 26.192 1.00 43.51 C ATOM 1278 C ARG A 78 3.440 -11.267 25.579 1.00 40.12 C ATOM 1279 O ARG A 78 4.435 -11.451 26.284 1.00 24.20 O ATOM 1280 CB ARG A 78 1.264 -12.009 26.577 1.00 53.23 C ATOM 1281 CG ARG A 78 -0.090 -11.658 27.183 1.00 51.35 C ATOM 1282 CD ARG A 78 -0.888 -12.908 27.531 1.00 65.25 C ATOM 1283 NE ARG A 78 -1.107 -13.762 26.365 1.00 43.44 N ATOM 1284 CZ ARG A 78 -1.726 -14.911 26.407 1.00 32.21 C ATOM 1285 NH1 ARG A 78 -2.168 -15.384 27.528 1.00 63.11 N1+ ATOM 1286 NH2 ARG A 78 -1.877 -15.603 25.330 1.00 74.43 N ATOM 0 H ARG A 78 0.421 -10.223 25.069 1.00 13.10 H new ATOM 0 HA ARG A 78 2.328 -10.203 27.084 1.00 43.51 H new ATOM 0 HB2 ARG A 78 1.105 -12.623 25.690 1.00 53.23 H new ATOM 0 HB3 ARG A 78 1.822 -12.617 27.289 1.00 53.23 H new ATOM 0 HG2 ARG A 78 0.057 -11.057 28.081 1.00 51.35 H new ATOM 0 HG3 ARG A 78 -0.657 -11.047 26.480 1.00 51.35 H new ATOM 0 HD2 ARG A 78 -0.360 -13.473 28.299 1.00 65.25 H new ATOM 0 HD3 ARG A 78 -1.850 -12.618 27.953 1.00 65.25 H new ATOM 0 HE ARG A 78 -0.755 -13.441 25.463 1.00 43.44 H new ATOM 0 HH11 ARG A 78 -2.034 -14.858 28.392 1.00 63.11 H new ATOM 0 HH12 ARG A 78 -2.650 -16.283 27.548 1.00 63.11 H new ATOM 0 HH21 ARG A 78 -1.513 -15.253 24.444 1.00 74.43 H new ATOM 0 HH22 ARG A 78 -2.361 -16.500 25.364 1.00 74.43 H new ATOM 1300 N SER A 79 3.450 -11.437 24.258 1.00 42.50 N ATOM 1301 CA SER A 79 4.646 -11.879 23.530 1.00 1.22 C ATOM 1302 C SER A 79 5.809 -10.885 23.675 1.00 14.30 C ATOM 1303 O SER A 79 6.974 -11.250 23.504 1.00 73.00 O ATOM 1304 CB SER A 79 4.322 -12.086 22.043 1.00 75.42 C ATOM 1305 OG SER A 79 3.347 -13.107 21.865 1.00 54.13 O ATOM 0 H SER A 79 2.638 -11.275 23.663 1.00 42.50 H new ATOM 0 HA SER A 79 4.959 -12.826 23.970 1.00 1.22 H new ATOM 0 HB2 SER A 79 3.957 -11.153 21.614 1.00 75.42 H new ATOM 0 HB3 SER A 79 5.232 -12.350 21.503 1.00 75.42 H new ATOM 0 HG SER A 79 3.159 -13.216 20.910 1.00 54.13 H new ATOM 1311 N TRP A 80 5.489 -9.624 23.967 1.00 31.30 N ATOM 1312 CA TRP A 80 6.516 -8.597 24.213 1.00 22.12 C ATOM 1313 C TRP A 80 6.801 -8.431 25.716 1.00 42.22 C ATOM 1314 O TRP A 80 7.903 -8.059 26.112 1.00 4.43 O ATOM 1315 CB TRP A 80 6.087 -7.249 23.625 1.00 54.25 C ATOM 1316 CG TRP A 80 5.713 -7.303 22.172 1.00 25.32 C ATOM 1317 CD1 TRP A 80 6.146 -8.203 21.240 1.00 24.04 C ATOM 1318 CD2 TRP A 80 4.837 -6.404 21.483 1.00 40.02 C ATOM 1319 NE1 TRP A 80 5.580 -7.928 20.020 1.00 0.43 N ATOM 1320 CE2 TRP A 80 4.777 -6.823 20.141 1.00 51.25 C ATOM 1321 CE3 TRP A 80 4.100 -5.285 21.874 1.00 73.23 C ATOM 1322 CZ2 TRP A 80 4.001 -6.166 19.190 1.00 52.15 C ATOM 1323 CZ3 TRP A 80 3.332 -4.631 20.931 1.00 71.44 C ATOM 1324 CH2 TRP A 80 3.288 -5.071 19.602 1.00 24.01 C ATOM 0 H TRP A 80 4.530 -9.284 24.040 1.00 31.30 H new ATOM 0 HA TRP A 80 7.429 -8.932 23.722 1.00 22.12 H new ATOM 0 HB2 TRP A 80 5.237 -6.871 24.194 1.00 54.25 H new ATOM 0 HB3 TRP A 80 6.900 -6.534 23.753 1.00 54.25 H new ATOM 0 HD1 TRP A 80 6.833 -9.013 21.435 1.00 24.04 H new ATOM 0 HE1 TRP A 80 5.732 -8.459 19.163 1.00 0.43 H new ATOM 0 HE3 TRP A 80 4.130 -4.937 22.896 1.00 73.23 H new ATOM 0 HZ2 TRP A 80 3.962 -6.507 18.166 1.00 52.15 H new ATOM 0 HZ3 TRP A 80 2.756 -3.766 21.223 1.00 71.44 H new ATOM 0 HH2 TRP A 80 2.680 -4.536 18.888 1.00 24.01 H new ATOM 1335 N GLN A 81 5.797 -8.716 26.546 1.00 32.30 N ATOM 1336 CA GLN A 81 5.894 -8.535 28.008 1.00 64.22 C ATOM 1337 C GLN A 81 6.937 -9.467 28.657 1.00 24.42 C ATOM 1338 O GLN A 81 7.395 -9.215 29.773 1.00 65.54 O ATOM 1339 CB GLN A 81 4.521 -8.754 28.660 1.00 2.55 C ATOM 1340 CG GLN A 81 3.437 -7.796 28.165 1.00 1.11 C ATOM 1341 CD GLN A 81 3.740 -6.336 28.474 1.00 23.33 C ATOM 1342 OE1 GLN A 81 3.372 -5.818 29.524 1.00 35.10 O ATOM 1343 NE2 GLN A 81 4.406 -5.659 27.560 1.00 33.42 N ATOM 0 H GLN A 81 4.896 -9.077 26.233 1.00 32.30 H new ATOM 0 HA GLN A 81 6.228 -7.511 28.178 1.00 64.22 H new ATOM 0 HB2 GLN A 81 4.200 -9.778 28.471 1.00 2.55 H new ATOM 0 HB3 GLN A 81 4.622 -8.646 29.740 1.00 2.55 H new ATOM 0 HG2 GLN A 81 3.319 -7.916 27.088 1.00 1.11 H new ATOM 0 HG3 GLN A 81 2.485 -8.067 28.622 1.00 1.11 H new ATOM 0 HE21 GLN A 81 4.698 -6.118 26.697 1.00 33.42 H new ATOM 0 HE22 GLN A 81 4.629 -4.676 27.715 1.00 33.42 H new ATOM 1352 N LYS A 82 7.322 -10.528 27.948 1.00 32.22 N ATOM 1353 CA LYS A 82 8.200 -11.579 28.500 1.00 53.31 C ATOM 1354 C LYS A 82 9.577 -11.049 28.960 1.00 55.24 C ATOM 1355 O LYS A 82 10.375 -11.796 29.531 1.00 42.31 O ATOM 1356 CB LYS A 82 8.401 -12.691 27.454 1.00 62.31 C ATOM 1357 CG LYS A 82 9.427 -12.375 26.356 1.00 62.15 C ATOM 1358 CD LYS A 82 9.102 -11.088 25.598 1.00 32.32 C ATOM 1359 CE LYS A 82 10.042 -10.861 24.418 1.00 72.52 C ATOM 1360 NZ LYS A 82 9.883 -11.903 23.369 1.00 3.53 N1+ ATOM 0 H LYS A 82 7.041 -10.690 26.981 1.00 32.22 H new ATOM 0 HA LYS A 82 7.699 -11.969 29.386 1.00 53.31 H new ATOM 0 HB2 LYS A 82 8.711 -13.601 27.968 1.00 62.31 H new ATOM 0 HB3 LYS A 82 7.441 -12.903 26.983 1.00 62.31 H new ATOM 0 HG2 LYS A 82 10.417 -12.288 26.804 1.00 62.15 H new ATOM 0 HG3 LYS A 82 9.467 -13.206 25.652 1.00 62.15 H new ATOM 0 HD2 LYS A 82 8.074 -11.130 25.238 1.00 32.32 H new ATOM 0 HD3 LYS A 82 9.167 -10.240 26.280 1.00 32.32 H new ATOM 0 HE2 LYS A 82 9.850 -9.879 23.985 1.00 72.52 H new ATOM 0 HE3 LYS A 82 11.073 -10.857 24.772 1.00 72.52 H new ATOM 0 HZ1 LYS A 82 10.368 -11.599 22.501 1.00 3.53 H new ATOM 0 HZ2 LYS A 82 10.297 -12.797 23.702 1.00 3.53 H new ATOM 0 HZ3 LYS A 82 8.872 -12.043 23.169 1.00 3.53 H new ATOM 1374 N LEU A 83 9.862 -9.774 28.706 1.00 64.31 N ATOM 1375 CA LEU A 83 11.127 -9.168 29.145 1.00 63.43 C ATOM 1376 C LEU A 83 11.104 -8.777 30.638 1.00 25.13 C ATOM 1377 O LEU A 83 12.144 -8.782 31.303 1.00 72.34 O ATOM 1378 CB LEU A 83 11.497 -7.959 28.250 1.00 44.13 C ATOM 1379 CG LEU A 83 10.328 -7.088 27.738 1.00 75.30 C ATOM 1380 CD1 LEU A 83 9.616 -6.367 28.875 1.00 33.35 C ATOM 1381 CD2 LEU A 83 10.819 -6.087 26.692 1.00 1.14 C ATOM 0 H LEU A 83 9.242 -9.140 28.202 1.00 64.31 H new ATOM 0 HA LEU A 83 11.903 -9.925 29.034 1.00 63.43 H new ATOM 0 HB2 LEU A 83 12.179 -7.318 28.809 1.00 44.13 H new ATOM 0 HB3 LEU A 83 12.047 -8.332 27.386 1.00 44.13 H new ATOM 0 HG LEU A 83 9.605 -7.757 27.271 1.00 75.30 H new ATOM 0 HD11 LEU A 83 8.801 -5.766 28.471 1.00 33.35 H new ATOM 0 HD12 LEU A 83 9.214 -7.099 29.575 1.00 33.35 H new ATOM 0 HD13 LEU A 83 10.322 -5.719 29.394 1.00 33.35 H new ATOM 0 HD21 LEU A 83 9.981 -5.483 26.344 1.00 1.14 H new ATOM 0 HD22 LEU A 83 11.574 -5.438 27.136 1.00 1.14 H new ATOM 0 HD23 LEU A 83 11.253 -6.625 25.849 1.00 1.14 H new ATOM 1393 N ILE A 84 9.923 -8.448 31.165 1.00 24.24 N ATOM 1394 CA ILE A 84 9.783 -8.065 32.582 1.00 73.23 C ATOM 1395 C ILE A 84 9.143 -9.177 33.432 1.00 55.14 C ATOM 1396 O ILE A 84 8.970 -9.017 34.641 1.00 65.22 O ATOM 1397 CB ILE A 84 8.954 -6.762 32.747 1.00 24.23 C ATOM 1398 CG1 ILE A 84 7.606 -6.880 32.013 1.00 1.33 C ATOM 1399 CG2 ILE A 84 9.749 -5.552 32.260 1.00 51.42 C ATOM 1400 CD1 ILE A 84 6.749 -5.634 32.091 1.00 73.42 C ATOM 0 H ILE A 84 9.049 -8.437 30.639 1.00 24.24 H new ATOM 0 HA ILE A 84 10.798 -7.895 32.941 1.00 73.23 H new ATOM 0 HB ILE A 84 8.744 -6.617 33.807 1.00 24.23 H new ATOM 0 HG12 ILE A 84 7.794 -7.114 30.965 1.00 1.33 H new ATOM 0 HG13 ILE A 84 7.049 -7.718 32.431 1.00 1.33 H new ATOM 0 HG21 ILE A 84 9.151 -4.649 32.384 1.00 51.42 H new ATOM 0 HG22 ILE A 84 10.667 -5.462 32.841 1.00 51.42 H new ATOM 0 HG23 ILE A 84 9.998 -5.680 31.207 1.00 51.42 H new ATOM 0 HD11 ILE A 84 5.817 -5.799 31.549 1.00 73.42 H new ATOM 0 HD12 ILE A 84 6.527 -5.410 33.134 1.00 73.42 H new ATOM 0 HD13 ILE A 84 7.284 -4.796 31.645 1.00 73.42 H new ATOM 1412 N GLU A 85 8.794 -10.297 32.802 1.00 65.42 N ATOM 1413 CA GLU A 85 8.130 -11.404 33.506 1.00 42.01 C ATOM 1414 C GLU A 85 8.344 -12.749 32.783 1.00 71.33 C ATOM 1415 O GLU A 85 8.699 -12.778 31.603 1.00 62.12 O ATOM 1416 CB GLU A 85 6.628 -11.103 33.648 1.00 40.53 C ATOM 1417 CG GLU A 85 5.911 -10.876 32.323 1.00 62.03 C ATOM 1418 CD GLU A 85 4.443 -10.536 32.510 1.00 42.12 C ATOM 1419 OE1 GLU A 85 3.591 -11.439 32.359 1.00 74.31 O ATOM 1420 OE2 GLU A 85 4.134 -9.368 32.825 1.00 43.53 O1- ATOM 0 H GLU A 85 8.957 -10.466 31.809 1.00 65.42 H new ATOM 0 HA GLU A 85 8.577 -11.492 34.496 1.00 42.01 H new ATOM 0 HB2 GLU A 85 6.150 -11.932 34.170 1.00 40.53 H new ATOM 0 HB3 GLU A 85 6.503 -10.218 34.273 1.00 40.53 H new ATOM 0 HG2 GLU A 85 6.402 -10.068 31.781 1.00 62.03 H new ATOM 0 HG3 GLU A 85 5.998 -11.771 31.708 1.00 62.03 H new ATOM 1427 N PRO A 86 8.133 -13.889 33.478 1.00 24.00 N ATOM 1428 CA PRO A 86 8.333 -15.238 32.900 1.00 50.24 C ATOM 1429 C PRO A 86 7.274 -15.640 31.845 1.00 51.42 C ATOM 1430 O PRO A 86 6.966 -16.821 31.687 1.00 52.32 O ATOM 1431 CB PRO A 86 8.247 -16.173 34.128 1.00 22.03 C ATOM 1432 CG PRO A 86 8.324 -15.277 35.323 1.00 2.24 C ATOM 1433 CD PRO A 86 7.721 -13.973 34.890 1.00 54.45 C ATOM 0 HA PRO A 86 9.277 -15.288 32.357 1.00 50.24 H new ATOM 0 HB2 PRO A 86 7.317 -16.741 34.124 1.00 22.03 H new ATOM 0 HB3 PRO A 86 9.062 -16.896 34.128 1.00 22.03 H new ATOM 0 HG2 PRO A 86 7.778 -15.700 36.166 1.00 2.24 H new ATOM 0 HG3 PRO A 86 9.356 -15.143 35.647 1.00 2.24 H new ATOM 0 HD2 PRO A 86 6.636 -13.971 34.998 1.00 54.45 H new ATOM 0 HD3 PRO A 86 8.101 -13.135 35.475 1.00 54.45 H new