USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 60 TYR OH : rot 30:sc= -1.71! USER MOD Set 1.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 100:sc= 0.0308 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.0593 USER MOD Set 3.1: A 49 GLN : amide:sc= -4.38! C(o=-3.5!,f=-22!) USER MOD Set 3.2: A 63 LYS NZ :NH3+ 176:sc= 0.905 (180deg=0) USER MOD Set 4.1: A 36 THR OG1 : rot 160:sc= 0.384 USER MOD Set 4.2: A 40 TYR OH : rot 72:sc= -4.94! USER MOD Single : A 15 LYS NZ :NH3+ -102:sc= -0.181 (180deg=-1.84!) USER MOD Single : A 18 THR OG1 : rot 177:sc= -1.01! USER MOD Single : A 22 GLN :FLIP amide:sc= -9.48! C(o=-12!,f=-9.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= -0.162 (180deg=-0.668) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0392 F(o=-1.3,f=-0.039) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -4.52! C(o=-7.6!,f=-4.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0768 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.32! C(o=-2.3!,f=-5.4!) USER MOD Single : A 58 THR OG1 : rot -27:sc= 0.244 USER MOD Single : A 59 ASN :FLIP amide:sc= -4.88! C(o=-7.9!,f=-4.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= -1.42! USER MOD Single : A 92 ASN : amide:sc= -0.382 K(o=-0.38,f=-1.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 150:sc= -2.41! USER MOD Single : A 95 MET CE :methyl 180:sc= -14.3! (180deg=-14.3!) USER MOD Single : A 96 HIS :FLIP no HD1:sc= -20.6! C(o=-23!,f=-21!) USER MOD Single : A 98 LYS NZ :NH3+ -117:sc= -1.51 (180deg=-4.57!) USER MOD Single : A 111 THR OG1 : rot 25:sc= -2.84! USER MOD Single : A 113 TYR OH : rot 72:sc= -1.2! USER MOD Single : A 114 GLN : amide:sc= -4.34! C(o=-4.3!,f=-4.9!) USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= -7.97! (180deg=-10.9!) USER MOD Single : A 117 ASN :FLIP amide:sc= -1.4 F(o=-2.5,f=-1.4) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 40:sc= 0.832 USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -9.854 -0.362 10.686 1.00 0.00 N ATOM 68 CA LEU A 11 -8.445 -0.874 10.736 1.00 0.00 C ATOM 69 C LEU A 11 -8.347 -2.255 11.378 1.00 0.00 C ATOM 70 O LEU A 11 -8.601 -2.437 12.552 1.00 0.00 O ATOM 71 CB LEU A 11 -7.579 0.116 11.505 1.00 0.00 C ATOM 72 CG LEU A 11 -6.986 1.087 10.496 1.00 0.00 C ATOM 73 CD1 LEU A 11 -7.295 2.525 10.915 1.00 0.00 C ATOM 74 CD2 LEU A 11 -5.471 0.889 10.418 1.00 0.00 C ATOM 0 HA LEU A 11 -8.092 -0.973 9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.174 0.650 12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.789 -0.405 12.045 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.426 0.897 9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.867 3.216 10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.375 2.667 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.863 2.719 11.897 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.050 1.586 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.029 1.072 11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.253 -0.133 10.107 1.00 0.00 H new ATOM 86 N SER A 12 -7.973 -3.228 10.599 1.00 0.00 N ATOM 87 CA SER A 12 -7.844 -4.612 11.127 1.00 0.00 C ATOM 88 C SER A 12 -6.370 -4.920 11.390 1.00 0.00 C ATOM 89 O SER A 12 -5.488 -4.271 10.864 1.00 0.00 O ATOM 90 CB SER A 12 -8.394 -5.596 10.094 1.00 0.00 C ATOM 91 OG SER A 12 -9.209 -4.894 9.166 1.00 0.00 O ATOM 0 H SER A 12 -7.749 -3.123 9.609 1.00 0.00 H new ATOM 0 HA SER A 12 -8.405 -4.705 12.057 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.574 -6.091 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.974 -6.375 10.589 1.00 0.00 H new ATOM 0 HG SER A 12 -8.699 -4.724 8.346 1.00 0.00 H new ATOM 97 N GLU A 13 -6.097 -5.905 12.200 1.00 0.00 N ATOM 98 CA GLU A 13 -4.686 -6.262 12.498 1.00 0.00 C ATOM 99 C GLU A 13 -3.896 -6.324 11.189 1.00 0.00 C ATOM 100 O GLU A 13 -4.455 -6.211 10.116 1.00 0.00 O ATOM 101 CB GLU A 13 -4.642 -7.626 13.191 1.00 0.00 C ATOM 102 CG GLU A 13 -3.232 -7.884 13.732 1.00 0.00 C ATOM 103 CD GLU A 13 -3.301 -8.899 14.873 1.00 0.00 C ATOM 104 OE1 GLU A 13 -4.366 -9.458 15.081 1.00 0.00 O ATOM 105 OE2 GLU A 13 -2.287 -9.103 15.519 1.00 0.00 O ATOM 0 H GLU A 13 -6.796 -6.480 12.670 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.246 -5.511 13.154 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.366 -7.654 14.006 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.922 -8.411 12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.589 -8.259 12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.791 -6.952 14.086 1.00 0.00 H new ATOM 112 N ALA A 14 -2.605 -6.504 11.256 1.00 0.00 N ATOM 113 CA ALA A 14 -1.815 -6.565 9.993 1.00 0.00 C ATOM 114 C ALA A 14 -2.308 -7.707 9.133 1.00 0.00 C ATOM 115 O ALA A 14 -1.852 -8.826 9.258 1.00 0.00 O ATOM 116 CB ALA A 14 -0.337 -6.823 10.268 1.00 0.00 C ATOM 0 H ALA A 14 -2.069 -6.610 12.117 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.938 -5.604 9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.207 -6.861 9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.064 -6.020 10.886 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.225 -7.773 10.790 1.00 0.00 H new ATOM 122 N LYS A 15 -3.177 -7.442 8.216 1.00 0.00 N ATOM 123 CA LYS A 15 -3.598 -8.537 7.326 1.00 0.00 C ATOM 124 C LYS A 15 -2.371 -8.809 6.480 1.00 0.00 C ATOM 125 O LYS A 15 -1.778 -7.887 5.974 1.00 0.00 O ATOM 126 CB LYS A 15 -4.771 -8.089 6.450 1.00 0.00 C ATOM 127 CG LYS A 15 -6.029 -7.968 7.311 1.00 0.00 C ATOM 128 CD LYS A 15 -6.224 -9.254 8.117 1.00 0.00 C ATOM 129 CE LYS A 15 -5.552 -9.110 9.485 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.595 -9.040 10.548 1.00 0.00 N ATOM 0 H LYS A 15 -3.607 -6.533 8.045 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.938 -9.420 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.544 -7.132 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.934 -8.807 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.941 -7.115 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.899 -7.787 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.287 -9.459 8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.798 -10.101 7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.889 -9.956 9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.936 -8.211 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.718 -8.052 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.496 -9.403 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.300 -9.616 11.362 1.00 0.00 H new ATOM 144 N PRO A 16 -1.974 -10.030 6.372 1.00 0.00 N ATOM 145 CA PRO A 16 -0.768 -10.339 5.613 1.00 0.00 C ATOM 146 C PRO A 16 -1.030 -10.048 4.130 1.00 0.00 C ATOM 147 O PRO A 16 -2.004 -10.502 3.565 1.00 0.00 O ATOM 148 CB PRO A 16 -0.522 -11.822 5.905 1.00 0.00 C ATOM 149 CG PRO A 16 -1.878 -12.395 6.383 1.00 0.00 C ATOM 150 CD PRO A 16 -2.676 -11.197 6.938 1.00 0.00 C ATOM 0 HA PRO A 16 0.107 -9.747 5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.172 -12.342 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.245 -11.947 6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.412 -12.871 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.731 -13.155 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.720 -11.229 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.670 -11.180 8.028 1.00 0.00 H new ATOM 158 N ALA A 17 -0.198 -9.253 3.513 1.00 0.00 N ATOM 159 CA ALA A 17 -0.436 -8.889 2.087 1.00 0.00 C ATOM 160 C ALA A 17 -0.917 -10.088 1.278 1.00 0.00 C ATOM 161 O ALA A 17 -0.675 -11.232 1.607 1.00 0.00 O ATOM 162 CB ALA A 17 0.844 -8.348 1.455 1.00 0.00 C ATOM 0 H ALA A 17 0.635 -8.841 3.934 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.210 -8.122 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.654 -8.087 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.171 -7.461 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.623 -9.109 1.501 1.00 0.00 H new ATOM 168 N THR A 18 -1.583 -9.802 0.200 1.00 0.00 N ATOM 169 CA THR A 18 -2.095 -10.864 -0.703 1.00 0.00 C ATOM 170 C THR A 18 -1.761 -10.411 -2.124 1.00 0.00 C ATOM 171 O THR A 18 -1.021 -9.466 -2.279 1.00 0.00 O ATOM 172 CB THR A 18 -3.616 -11.005 -0.522 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.290 -10.232 -1.492 1.00 0.00 O ATOM 174 CG2 THR A 18 -4.033 -10.502 0.847 1.00 0.00 C ATOM 0 H THR A 18 -1.800 -8.852 -0.101 1.00 0.00 H new ATOM 0 HA THR A 18 -1.646 -11.834 -0.488 1.00 0.00 H new ATOM 0 HB THR A 18 -3.873 -12.059 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.257 -10.366 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.112 -10.608 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.528 -11.084 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.759 -9.452 0.948 1.00 0.00 H new ATOM 182 N PRO A 19 -2.300 -11.047 -3.132 1.00 0.00 N ATOM 183 CA PRO A 19 -2.021 -10.615 -4.504 1.00 0.00 C ATOM 184 C PRO A 19 -2.735 -9.284 -4.768 1.00 0.00 C ATOM 185 O PRO A 19 -2.384 -8.539 -5.666 1.00 0.00 O ATOM 186 CB PRO A 19 -2.555 -11.762 -5.370 1.00 0.00 C ATOM 187 CG PRO A 19 -3.570 -12.532 -4.495 1.00 0.00 C ATOM 188 CD PRO A 19 -3.213 -12.214 -3.029 1.00 0.00 C ATOM 0 HA PRO A 19 -0.967 -10.431 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.032 -11.378 -6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.744 -12.416 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.590 -12.223 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.512 -13.604 -4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.101 -11.977 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.727 -13.060 -2.543 1.00 0.00 H new ATOM 196 N GLU A 20 -3.708 -8.953 -3.958 1.00 0.00 N ATOM 197 CA GLU A 20 -4.417 -7.657 -4.145 1.00 0.00 C ATOM 198 C GLU A 20 -3.601 -6.561 -3.475 1.00 0.00 C ATOM 199 O GLU A 20 -3.332 -5.531 -4.054 1.00 0.00 O ATOM 200 CB GLU A 20 -5.809 -7.730 -3.516 1.00 0.00 C ATOM 201 CG GLU A 20 -6.528 -8.983 -4.017 1.00 0.00 C ATOM 202 CD GLU A 20 -7.622 -9.375 -3.023 1.00 0.00 C ATOM 203 OE1 GLU A 20 -7.291 -9.973 -2.013 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.774 -9.073 -3.291 1.00 0.00 O ATOM 0 H GLU A 20 -4.039 -9.523 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.528 -7.442 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.728 -7.754 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.384 -6.840 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.963 -8.797 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.817 -9.801 -4.133 1.00 0.00 H new ATOM 211 N ILE A 21 -3.177 -6.796 -2.270 1.00 0.00 N ATOM 212 CA ILE A 21 -2.336 -5.794 -1.569 1.00 0.00 C ATOM 213 C ILE A 21 -1.124 -5.541 -2.451 1.00 0.00 C ATOM 214 O ILE A 21 -0.828 -4.432 -2.851 1.00 0.00 O ATOM 215 CB ILE A 21 -1.899 -6.390 -0.228 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.111 -7.031 0.451 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.330 -5.294 0.675 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.321 -6.111 0.313 1.00 0.00 C ATOM 0 H ILE A 21 -3.377 -7.643 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.871 -4.862 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.128 -7.141 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.324 -7.999 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.897 -7.212 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.022 -5.729 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.468 -4.834 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.093 -4.536 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.183 -6.569 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.106 -5.153 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.539 -5.953 -0.743 1.00 0.00 H new ATOM 230 N GLN A 22 -0.453 -6.598 -2.779 1.00 0.00 N ATOM 231 CA GLN A 22 0.738 -6.515 -3.675 1.00 0.00 C ATOM 232 C GLN A 22 0.336 -5.792 -4.966 1.00 0.00 C ATOM 233 O GLN A 22 1.154 -5.189 -5.626 1.00 0.00 O ATOM 234 CB GLN A 22 1.200 -7.941 -4.004 1.00 0.00 C ATOM 235 CG GLN A 22 2.703 -7.974 -4.287 1.00 0.00 C ATOM 236 CD GLN A 22 3.071 -6.872 -5.280 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.495 -5.731 -4.825 1.00 0.00 O flip ATOM 238 NE2 GLN A 22 2.973 -7.055 -6.477 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.679 -7.540 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 22 1.546 -5.968 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.968 -8.605 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.654 -8.314 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.259 -7.840 -3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.985 -8.947 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.640 -7.952 -6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.224 -6.312 -7.129 1.00 0.00 H new ATOM 247 N GLU A 23 -0.920 -5.857 -5.342 1.00 0.00 N ATOM 248 CA GLU A 23 -1.362 -5.167 -6.595 1.00 0.00 C ATOM 249 C GLU A 23 -1.491 -3.657 -6.350 1.00 0.00 C ATOM 250 O GLU A 23 -1.198 -2.856 -7.210 1.00 0.00 O ATOM 251 CB GLU A 23 -2.713 -5.731 -7.040 1.00 0.00 C ATOM 252 CG GLU A 23 -2.912 -5.461 -8.533 1.00 0.00 C ATOM 253 CD GLU A 23 -1.956 -6.339 -9.343 1.00 0.00 C ATOM 254 OE1 GLU A 23 -0.775 -6.031 -9.366 1.00 0.00 O ATOM 255 OE2 GLU A 23 -2.420 -7.303 -9.927 1.00 0.00 O ATOM 0 H GLU A 23 -1.654 -6.355 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.620 -5.337 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.754 -6.803 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.518 -5.272 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.943 -5.670 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.729 -4.409 -8.751 1.00 0.00 H new ATOM 262 N ILE A 24 -1.910 -3.266 -5.179 1.00 0.00 N ATOM 263 CA ILE A 24 -2.043 -1.812 -4.853 1.00 0.00 C ATOM 264 C ILE A 24 -0.656 -1.197 -4.843 1.00 0.00 C ATOM 265 O ILE A 24 -0.394 -0.185 -5.461 1.00 0.00 O ATOM 266 CB ILE A 24 -2.659 -1.690 -3.460 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.142 -2.065 -3.523 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.522 -0.258 -2.964 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.453 -3.098 -2.439 1.00 0.00 C ATOM 0 H ILE A 24 -2.170 -3.898 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.670 -1.303 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.140 -2.362 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.759 -1.177 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.385 -2.469 -4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.962 -0.173 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.467 0.012 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.039 0.415 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.509 -3.365 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.846 -3.989 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.226 -2.677 -1.459 1.00 0.00 H new ATOM 281 N VAL A 25 0.229 -1.821 -4.144 1.00 0.00 N ATOM 282 CA VAL A 25 1.616 -1.334 -4.051 1.00 0.00 C ATOM 283 C VAL A 25 2.283 -1.440 -5.417 1.00 0.00 C ATOM 284 O VAL A 25 3.001 -0.565 -5.858 1.00 0.00 O ATOM 285 CB VAL A 25 2.312 -2.252 -3.086 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.297 -3.635 -3.676 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.745 -1.828 -2.892 1.00 0.00 C ATOM 0 H VAL A 25 0.044 -2.674 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 25 1.658 -0.295 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 25 1.804 -2.223 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.796 -4.326 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.266 -3.955 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.818 -3.628 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.233 -2.504 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.267 -1.860 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.774 -0.813 -2.497 1.00 0.00 H new ATOM 297 N ASP A 26 2.028 -2.519 -6.085 1.00 0.00 N ATOM 298 CA ASP A 26 2.609 -2.728 -7.436 1.00 0.00 C ATOM 299 C ASP A 26 1.846 -1.840 -8.405 1.00 0.00 C ATOM 300 O ASP A 26 2.265 -1.599 -9.520 1.00 0.00 O ATOM 301 CB ASP A 26 2.452 -4.195 -7.847 1.00 0.00 C ATOM 302 CG ASP A 26 3.297 -4.473 -9.092 1.00 0.00 C ATOM 303 OD1 ASP A 26 2.867 -4.099 -10.171 1.00 0.00 O ATOM 304 OD2 ASP A 26 4.358 -5.058 -8.946 1.00 0.00 O ATOM 0 H ASP A 26 1.434 -3.278 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 26 3.670 -2.480 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.763 -4.847 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.404 -4.416 -8.050 1.00 0.00 H new ATOM 309 N LYS A 27 0.725 -1.338 -7.968 1.00 0.00 N ATOM 310 CA LYS A 27 -0.079 -0.441 -8.846 1.00 0.00 C ATOM 311 C LYS A 27 0.313 1.008 -8.557 1.00 0.00 C ATOM 312 O LYS A 27 -0.060 1.918 -9.272 1.00 0.00 O ATOM 313 CB LYS A 27 -1.576 -0.633 -8.572 1.00 0.00 C ATOM 314 CG LYS A 27 -2.377 0.297 -9.484 1.00 0.00 C ATOM 315 CD LYS A 27 -3.871 -0.009 -9.346 1.00 0.00 C ATOM 316 CE LYS A 27 -4.255 -1.136 -10.309 1.00 0.00 C ATOM 317 NZ LYS A 27 -5.701 -1.463 -10.144 1.00 0.00 N ATOM 0 H LYS A 27 0.331 -1.509 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 27 0.118 -0.682 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.860 -1.670 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.797 -0.417 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.183 1.337 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.063 0.166 -10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.100 -0.299 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.457 0.884 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.055 -0.834 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.647 -2.019 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.961 -2.228 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.878 -1.769 -9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.274 -0.620 -10.353 1.00 0.00 H new ATOM 331 N VAL A 28 1.058 1.230 -7.507 1.00 0.00 N ATOM 332 CA VAL A 28 1.468 2.623 -7.166 1.00 0.00 C ATOM 333 C VAL A 28 2.996 2.767 -7.222 1.00 0.00 C ATOM 334 O VAL A 28 3.528 3.850 -7.076 1.00 0.00 O ATOM 335 CB VAL A 28 0.969 2.961 -5.764 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.553 3.099 -5.788 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.363 1.844 -4.800 1.00 0.00 C ATOM 0 H VAL A 28 1.400 0.509 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 28 1.032 3.310 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 28 1.416 3.899 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.912 3.340 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.835 3.895 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.998 2.160 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.007 2.085 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.916 0.906 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.448 1.743 -4.784 1.00 0.00 H new ATOM 347 N LYS A 29 3.710 1.691 -7.438 1.00 0.00 N ATOM 348 CA LYS A 29 5.197 1.783 -7.510 1.00 0.00 C ATOM 349 C LYS A 29 5.626 3.015 -8.327 1.00 0.00 C ATOM 350 O LYS A 29 6.467 3.768 -7.878 1.00 0.00 O ATOM 351 CB LYS A 29 5.761 0.512 -8.153 1.00 0.00 C ATOM 352 CG LYS A 29 7.224 0.738 -8.544 1.00 0.00 C ATOM 353 CD LYS A 29 7.794 -0.546 -9.148 1.00 0.00 C ATOM 354 CE LYS A 29 6.895 -1.008 -10.295 1.00 0.00 C ATOM 355 NZ LYS A 29 6.010 -2.107 -9.819 1.00 0.00 N ATOM 0 H LYS A 29 3.327 0.755 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 29 5.590 1.885 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.685 -0.324 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.176 0.248 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.298 1.554 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.805 1.030 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.807 -0.372 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.858 -1.323 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.294 -0.174 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.503 -1.352 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.054 -1.975 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.390 -3.021 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.967 -2.093 -8.780 1.00 0.00 H new ATOM 369 N PRO A 30 5.051 3.205 -9.498 1.00 0.00 N ATOM 370 CA PRO A 30 5.400 4.361 -10.344 1.00 0.00 C ATOM 371 C PRO A 30 4.882 5.646 -9.703 1.00 0.00 C ATOM 372 O PRO A 30 5.513 6.683 -9.774 1.00 0.00 O ATOM 373 CB PRO A 30 4.723 4.061 -11.685 1.00 0.00 C ATOM 374 CG PRO A 30 3.602 3.042 -11.385 1.00 0.00 C ATOM 375 CD PRO A 30 4.009 2.324 -10.081 1.00 0.00 C ATOM 0 HA PRO A 30 6.473 4.507 -10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.314 4.970 -12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.438 3.653 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.641 3.543 -11.269 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.494 2.330 -12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.160 2.209 -9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.396 1.325 -10.279 1.00 0.00 H new ATOM 383 N GLN A 31 3.764 5.581 -9.039 1.00 0.00 N ATOM 384 CA GLN A 31 3.246 6.794 -8.356 1.00 0.00 C ATOM 385 C GLN A 31 4.093 7.024 -7.100 1.00 0.00 C ATOM 386 O GLN A 31 3.936 8.004 -6.399 1.00 0.00 O ATOM 387 CB GLN A 31 1.785 6.578 -7.952 1.00 0.00 C ATOM 388 CG GLN A 31 0.875 6.849 -9.150 1.00 0.00 C ATOM 389 CD GLN A 31 -0.554 6.430 -8.804 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.826 5.165 -8.640 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.430 7.262 -8.681 1.00 0.00 N flip ATOM 0 H GLN A 31 3.189 4.744 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 31 3.302 7.656 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.642 5.557 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.524 7.241 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.903 7.907 -9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.227 6.297 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.216 8.251 -8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.380 6.972 -8.449 1.00 0.00 H new ATOM 400 N LEU A 32 4.990 6.113 -6.815 1.00 0.00 N ATOM 401 CA LEU A 32 5.853 6.250 -5.613 1.00 0.00 C ATOM 402 C LEU A 32 7.206 6.841 -6.014 1.00 0.00 C ATOM 403 O LEU A 32 7.782 7.641 -5.303 1.00 0.00 O ATOM 404 CB LEU A 32 6.062 4.872 -5.003 1.00 0.00 C ATOM 405 CG LEU A 32 4.926 4.594 -4.027 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.709 3.094 -3.932 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.281 5.148 -2.645 1.00 0.00 C ATOM 0 H LEU A 32 5.159 5.275 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 32 5.376 6.911 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.084 4.112 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.022 4.828 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 32 4.016 5.077 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.897 2.887 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.452 2.701 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.622 2.616 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.465 4.946 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.191 4.669 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.440 6.224 -2.714 1.00 0.00 H new ATOM 419 N GLU A 33 7.715 6.448 -7.151 1.00 0.00 N ATOM 420 CA GLU A 33 9.032 6.978 -7.608 1.00 0.00 C ATOM 421 C GLU A 33 8.916 8.479 -7.880 1.00 0.00 C ATOM 422 O GLU A 33 9.885 9.209 -7.807 1.00 0.00 O ATOM 423 CB GLU A 33 9.449 6.265 -8.897 1.00 0.00 C ATOM 424 CG GLU A 33 9.364 4.750 -8.699 1.00 0.00 C ATOM 425 CD GLU A 33 9.889 4.043 -9.951 1.00 0.00 C ATOM 426 OE1 GLU A 33 10.784 4.584 -10.580 1.00 0.00 O ATOM 427 OE2 GLU A 33 9.390 2.974 -10.259 1.00 0.00 O ATOM 0 H GLU A 33 7.274 5.781 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 33 9.778 6.804 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.802 6.571 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.465 6.549 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.948 4.453 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.333 4.455 -8.507 1.00 0.00 H new ATOM 434 N GLU A 34 7.742 8.945 -8.205 1.00 0.00 N ATOM 435 CA GLU A 34 7.573 10.398 -8.492 1.00 0.00 C ATOM 436 C GLU A 34 7.215 11.145 -7.202 1.00 0.00 C ATOM 437 O GLU A 34 7.701 12.230 -6.949 1.00 0.00 O ATOM 438 CB GLU A 34 6.454 10.586 -9.519 1.00 0.00 C ATOM 439 CG GLU A 34 6.852 9.908 -10.832 1.00 0.00 C ATOM 440 CD GLU A 34 6.177 10.621 -12.005 1.00 0.00 C ATOM 441 OE1 GLU A 34 6.022 11.828 -11.928 1.00 0.00 O ATOM 442 OE2 GLU A 34 5.827 9.948 -12.960 1.00 0.00 O ATOM 0 H GLU A 34 6.894 8.384 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 34 8.506 10.798 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.524 10.159 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.272 11.648 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.935 9.934 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.559 8.858 -10.814 1.00 0.00 H new ATOM 449 N LYS A 35 6.372 10.575 -6.384 1.00 0.00 N ATOM 450 CA LYS A 35 5.987 11.256 -5.114 1.00 0.00 C ATOM 451 C LYS A 35 7.134 11.149 -4.105 1.00 0.00 C ATOM 452 O LYS A 35 7.105 11.753 -3.050 1.00 0.00 O ATOM 453 CB LYS A 35 4.737 10.584 -4.537 1.00 0.00 C ATOM 454 CG LYS A 35 3.917 11.611 -3.752 1.00 0.00 C ATOM 455 CD LYS A 35 2.442 11.205 -3.772 1.00 0.00 C ATOM 456 CE LYS A 35 1.632 12.172 -2.905 1.00 0.00 C ATOM 457 NZ LYS A 35 0.271 12.339 -3.489 1.00 0.00 N ATOM 0 H LYS A 35 5.933 9.667 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 35 5.779 12.307 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.135 10.161 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.024 9.758 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.275 11.670 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.039 12.602 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.065 11.215 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.330 10.186 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.558 11.790 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.136 13.137 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.281 12.996 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.351 12.721 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.209 11.417 -3.521 1.00 0.00 H new ATOM 471 N THR A 36 8.144 10.383 -4.419 1.00 0.00 N ATOM 472 CA THR A 36 9.292 10.233 -3.480 1.00 0.00 C ATOM 473 C THR A 36 10.581 10.636 -4.195 1.00 0.00 C ATOM 474 O THR A 36 11.372 11.391 -3.673 1.00 0.00 O ATOM 475 CB THR A 36 9.406 8.772 -3.037 1.00 0.00 C ATOM 476 OG1 THR A 36 10.010 8.014 -4.076 1.00 0.00 O ATOM 477 CG2 THR A 36 8.016 8.210 -2.734 1.00 0.00 C ATOM 0 H THR A 36 8.223 9.854 -5.287 1.00 0.00 H new ATOM 0 HA THR A 36 9.133 10.869 -2.609 1.00 0.00 H new ATOM 0 HB THR A 36 10.017 8.713 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.368 7.180 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.105 7.170 -2.419 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.554 8.792 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.397 8.267 -3.630 1.00 0.00 H new ATOM 485 N ASN A 37 10.772 10.113 -5.386 1.00 0.00 N ATOM 486 CA ASN A 37 11.992 10.407 -6.219 1.00 0.00 C ATOM 487 C ASN A 37 12.945 9.206 -6.183 1.00 0.00 C ATOM 488 O ASN A 37 14.148 9.356 -6.245 1.00 0.00 O ATOM 489 CB ASN A 37 12.717 11.680 -5.740 1.00 0.00 C ATOM 490 CG ASN A 37 13.740 11.352 -4.640 1.00 0.00 C ATOM 491 OD1 ASN A 37 13.537 10.337 -3.842 1.00 0.00 O flip ATOM 492 ND2 ASN A 37 14.738 12.032 -4.507 1.00 0.00 N flip ATOM 0 H ASN A 37 10.113 9.474 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 37 11.666 10.583 -7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.222 12.153 -6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.988 12.397 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.901 12.825 -5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.413 11.810 -3.775 1.00 0.00 H new ATOM 499 N GLU A 38 12.414 8.018 -6.093 1.00 0.00 N ATOM 500 CA GLU A 38 13.290 6.811 -6.063 1.00 0.00 C ATOM 501 C GLU A 38 12.782 5.793 -7.086 1.00 0.00 C ATOM 502 O GLU A 38 11.596 5.671 -7.314 1.00 0.00 O ATOM 503 CB GLU A 38 13.261 6.193 -4.666 1.00 0.00 C ATOM 504 CG GLU A 38 14.529 6.593 -3.909 1.00 0.00 C ATOM 505 CD GLU A 38 14.668 5.734 -2.651 1.00 0.00 C ATOM 506 OE1 GLU A 38 14.874 4.539 -2.792 1.00 0.00 O ATOM 507 OE2 GLU A 38 14.566 6.284 -1.567 1.00 0.00 O ATOM 0 H GLU A 38 11.413 7.830 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 38 14.313 7.095 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.378 6.532 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.194 5.107 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.402 6.464 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.486 7.648 -3.638 1.00 0.00 H new ATOM 514 N THR A 39 13.670 5.068 -7.712 1.00 0.00 N ATOM 515 CA THR A 39 13.227 4.068 -8.726 1.00 0.00 C ATOM 516 C THR A 39 12.632 2.845 -8.032 1.00 0.00 C ATOM 517 O THR A 39 12.015 2.007 -8.659 1.00 0.00 O ATOM 518 CB THR A 39 14.423 3.646 -9.584 1.00 0.00 C ATOM 519 OG1 THR A 39 14.944 4.784 -10.257 1.00 0.00 O ATOM 520 CG2 THR A 39 13.978 2.604 -10.612 1.00 0.00 C ATOM 0 H THR A 39 14.678 5.124 -7.566 1.00 0.00 H new ATOM 0 HA THR A 39 12.464 4.518 -9.362 1.00 0.00 H new ATOM 0 HB THR A 39 15.193 3.214 -8.945 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.711 4.517 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.832 2.306 -11.221 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.578 1.731 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.207 3.031 -11.253 1.00 0.00 H new ATOM 528 N TYR A 40 12.790 2.766 -6.744 1.00 0.00 N ATOM 529 CA TYR A 40 12.231 1.631 -5.966 1.00 0.00 C ATOM 530 C TYR A 40 12.329 0.329 -6.766 1.00 0.00 C ATOM 531 O TYR A 40 13.062 0.224 -7.730 1.00 0.00 O ATOM 532 CB TYR A 40 10.777 1.951 -5.652 1.00 0.00 C ATOM 533 CG TYR A 40 10.710 3.110 -4.683 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.500 3.111 -3.525 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.858 4.190 -4.946 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.435 4.190 -2.636 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.796 5.268 -4.058 1.00 0.00 C ATOM 538 CZ TYR A 40 10.583 5.269 -2.904 1.00 0.00 C ATOM 539 OH TYR A 40 10.520 6.334 -2.032 1.00 0.00 O ATOM 0 H TYR A 40 13.294 3.455 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 40 12.796 1.495 -5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.243 2.199 -6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.286 1.077 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.158 2.280 -3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.247 4.190 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.042 4.191 -1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.139 6.100 -4.264 1.00 0.00 H new ATOM 0 HH TYR A 40 11.344 6.860 -2.098 1.00 0.00 H new ATOM 549 N GLY A 43 11.604 -0.668 -6.358 1.00 0.00 N ATOM 550 CA GLY A 43 11.646 -1.973 -7.082 1.00 0.00 C ATOM 551 C GLY A 43 10.430 -2.812 -6.686 1.00 0.00 C ATOM 552 O GLY A 43 9.505 -2.323 -6.071 1.00 0.00 O ATOM 0 H GLY A 43 10.980 -0.640 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.650 -1.804 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.565 -2.507 -6.839 1.00 0.00 H new ATOM 556 N LYS A 44 10.427 -4.073 -7.028 1.00 0.00 N ATOM 557 CA LYS A 44 9.278 -4.946 -6.664 1.00 0.00 C ATOM 558 C LYS A 44 8.866 -4.642 -5.228 1.00 0.00 C ATOM 559 O LYS A 44 9.676 -4.682 -4.324 1.00 0.00 O ATOM 560 CB LYS A 44 9.706 -6.413 -6.760 1.00 0.00 C ATOM 561 CG LYS A 44 8.617 -7.222 -7.468 1.00 0.00 C ATOM 562 CD LYS A 44 8.681 -8.678 -7.002 1.00 0.00 C ATOM 563 CE LYS A 44 8.247 -9.602 -8.143 1.00 0.00 C ATOM 564 NZ LYS A 44 7.075 -10.414 -7.710 1.00 0.00 N ATOM 0 H LYS A 44 11.174 -4.536 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 44 8.444 -4.762 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.646 -6.493 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.882 -6.817 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.636 -6.801 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.753 -7.168 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.695 -8.925 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.033 -8.822 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.989 -9.013 -9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.071 -10.257 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.781 -11.041 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.336 -10.987 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.288 -9.782 -7.459 1.00 0.00 H new ATOM 578 N LEU A 45 7.620 -4.339 -4.998 1.00 0.00 N ATOM 579 CA LEU A 45 7.196 -4.042 -3.616 1.00 0.00 C ATOM 580 C LEU A 45 6.525 -5.284 -3.051 1.00 0.00 C ATOM 581 O LEU A 45 5.328 -5.341 -2.887 1.00 0.00 O ATOM 582 CB LEU A 45 6.254 -2.847 -3.643 1.00 0.00 C ATOM 583 CG LEU A 45 6.956 -1.736 -4.420 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.111 -0.457 -4.399 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.327 -1.484 -3.772 1.00 0.00 C ATOM 0 H LEU A 45 6.887 -4.286 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 45 8.042 -3.787 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.310 -3.112 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.019 -2.519 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 45 7.087 -2.034 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.623 0.327 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.142 -0.654 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.966 -0.133 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.845 -0.692 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.189 -1.183 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.920 -2.398 -3.809 1.00 0.00 H new ATOM 597 N GLU A 46 7.308 -6.293 -2.776 1.00 0.00 N ATOM 598 CA GLU A 46 6.741 -7.571 -2.249 1.00 0.00 C ATOM 599 C GLU A 46 5.881 -7.292 -1.024 1.00 0.00 C ATOM 600 O GLU A 46 6.342 -7.366 0.095 1.00 0.00 O ATOM 601 CB GLU A 46 7.879 -8.520 -1.867 1.00 0.00 C ATOM 602 CG GLU A 46 8.496 -9.112 -3.136 1.00 0.00 C ATOM 603 CD GLU A 46 10.008 -9.250 -2.951 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.469 -9.039 -1.842 1.00 0.00 O ATOM 605 OE2 GLU A 46 10.677 -9.565 -3.921 1.00 0.00 O ATOM 0 H GLU A 46 8.321 -6.288 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 46 6.126 -8.032 -3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.638 -7.984 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.502 -9.318 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.054 -10.086 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.280 -8.471 -3.991 1.00 0.00 H new ATOM 612 N ALA A 47 4.630 -6.983 -1.221 1.00 0.00 N ATOM 613 CA ALA A 47 3.754 -6.703 -0.058 1.00 0.00 C ATOM 614 C ALA A 47 3.994 -7.744 1.023 1.00 0.00 C ATOM 615 O ALA A 47 4.237 -8.905 0.759 1.00 0.00 O ATOM 616 CB ALA A 47 2.299 -6.722 -0.495 1.00 0.00 C ATOM 0 H ALA A 47 4.181 -6.913 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 47 3.987 -5.717 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.659 -6.516 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.139 -5.961 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.054 -7.703 -0.903 1.00 0.00 H new ATOM 622 N VAL A 48 3.946 -7.313 2.241 1.00 0.00 N ATOM 623 CA VAL A 48 4.187 -8.221 3.383 1.00 0.00 C ATOM 624 C VAL A 48 2.982 -8.157 4.305 1.00 0.00 C ATOM 625 O VAL A 48 2.513 -9.153 4.819 1.00 0.00 O ATOM 626 CB VAL A 48 5.445 -7.724 4.111 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.372 -8.052 5.607 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.677 -8.388 3.501 1.00 0.00 C ATOM 0 H VAL A 48 3.745 -6.347 2.500 1.00 0.00 H new ATOM 0 HA VAL A 48 4.332 -9.251 3.058 1.00 0.00 H new ATOM 0 HB VAL A 48 5.511 -6.642 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.273 -7.691 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.499 -7.567 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.292 -9.131 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.572 -8.037 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.598 -9.470 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.743 -8.132 2.444 1.00 0.00 H new ATOM 638 N GLN A 49 2.479 -6.982 4.508 1.00 0.00 N ATOM 639 CA GLN A 49 1.298 -6.827 5.392 1.00 0.00 C ATOM 640 C GLN A 49 0.463 -5.666 4.879 1.00 0.00 C ATOM 641 O GLN A 49 0.863 -4.959 3.980 1.00 0.00 O ATOM 642 CB GLN A 49 1.760 -6.554 6.824 1.00 0.00 C ATOM 643 CG GLN A 49 1.661 -7.845 7.640 1.00 0.00 C ATOM 644 CD GLN A 49 2.416 -7.682 8.960 1.00 0.00 C ATOM 645 OE1 GLN A 49 3.249 -6.806 9.094 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.159 -8.494 9.948 1.00 0.00 N ATOM 0 H GLN A 49 2.834 -6.117 4.100 1.00 0.00 H new ATOM 0 HA GLN A 49 0.701 -7.739 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.787 -6.188 6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.144 -5.776 7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.615 -8.083 7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.077 -8.678 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.460 -9.229 9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.657 -8.394 10.833 1.00 0.00 H new ATOM 655 N TYR A 50 -0.700 -5.464 5.418 1.00 0.00 N ATOM 656 CA TYR A 50 -1.528 -4.350 4.931 1.00 0.00 C ATOM 657 C TYR A 50 -2.738 -4.152 5.825 1.00 0.00 C ATOM 658 O TYR A 50 -3.403 -5.090 6.224 1.00 0.00 O ATOM 659 CB TYR A 50 -1.987 -4.644 3.526 1.00 0.00 C ATOM 660 CG TYR A 50 -3.079 -5.687 3.531 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.768 -7.025 3.791 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.404 -5.311 3.278 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.782 -7.991 3.795 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.418 -6.276 3.284 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.107 -7.616 3.544 1.00 0.00 C ATOM 666 OH TYR A 50 -6.106 -8.567 3.552 1.00 0.00 O ATOM 0 H TYR A 50 -1.106 -6.021 6.170 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.930 -3.439 4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.352 -3.730 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.145 -4.994 2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.746 -7.314 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.643 -4.277 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.542 -9.025 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.440 -5.987 3.088 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.967 -8.139 3.361 1.00 0.00 H new ATOM 676 N LYS A 51 -3.038 -2.934 6.121 1.00 0.00 N ATOM 677 CA LYS A 51 -4.230 -2.648 6.968 1.00 0.00 C ATOM 678 C LYS A 51 -5.323 -2.016 6.094 1.00 0.00 C ATOM 679 O LYS A 51 -5.131 -0.971 5.502 1.00 0.00 O ATOM 680 CB LYS A 51 -3.849 -1.700 8.107 1.00 0.00 C ATOM 681 CG LYS A 51 -3.435 -2.519 9.332 1.00 0.00 C ATOM 682 CD LYS A 51 -2.353 -1.766 10.109 1.00 0.00 C ATOM 683 CE LYS A 51 -2.963 -1.157 11.373 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.627 -2.009 12.549 1.00 0.00 N ATOM 0 H LYS A 51 -2.513 -2.114 5.817 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.603 -3.576 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.031 -1.051 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.692 -1.054 8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.299 -2.698 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.062 -3.495 9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.542 -2.444 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.922 -0.982 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.583 -0.147 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.045 -1.078 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.042 -1.595 13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.010 -2.965 12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.594 -2.063 12.655 1.00 0.00 H new ATOM 698 N THR A 52 -6.463 -2.653 5.999 1.00 0.00 N ATOM 699 CA THR A 52 -7.573 -2.107 5.158 1.00 0.00 C ATOM 700 C THR A 52 -8.175 -0.875 5.830 1.00 0.00 C ATOM 701 O THR A 52 -7.794 -0.494 6.920 1.00 0.00 O ATOM 702 CB THR A 52 -8.659 -3.175 4.996 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.914 -3.783 6.254 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.193 -4.238 3.999 1.00 0.00 C ATOM 0 H THR A 52 -6.674 -3.533 6.470 1.00 0.00 H new ATOM 0 HA THR A 52 -7.179 -1.828 4.181 1.00 0.00 H new ATOM 0 HB THR A 52 -9.572 -2.709 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.610 -4.466 6.152 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.968 -4.996 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.999 -3.771 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.279 -4.705 4.366 1.00 0.00 H new ATOM 712 N GLN A 53 -9.111 -0.244 5.178 1.00 0.00 N ATOM 713 CA GLN A 53 -9.743 0.970 5.756 1.00 0.00 C ATOM 714 C GLN A 53 -11.161 1.094 5.210 1.00 0.00 C ATOM 715 O GLN A 53 -11.433 0.700 4.096 1.00 0.00 O ATOM 716 CB GLN A 53 -8.949 2.194 5.317 1.00 0.00 C ATOM 717 CG GLN A 53 -8.085 2.713 6.463 1.00 0.00 C ATOM 718 CD GLN A 53 -8.947 2.898 7.713 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.084 1.991 8.510 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.538 4.042 7.920 1.00 0.00 N ATOM 0 H GLN A 53 -9.466 -0.521 4.263 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.760 0.899 6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.318 1.939 4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.631 2.977 4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.276 2.012 6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.624 3.660 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.423 4.804 7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.115 4.175 8.751 1.00 0.00 H new ATOM 729 N VAL A 54 -12.071 1.631 5.971 1.00 0.00 N ATOM 730 CA VAL A 54 -13.453 1.764 5.456 1.00 0.00 C ATOM 731 C VAL A 54 -13.966 3.197 5.653 1.00 0.00 C ATOM 732 O VAL A 54 -13.772 3.812 6.683 1.00 0.00 O ATOM 733 CB VAL A 54 -14.346 0.755 6.167 1.00 0.00 C ATOM 734 CG1 VAL A 54 -15.032 1.404 7.362 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.402 0.248 5.184 1.00 0.00 C ATOM 0 H VAL A 54 -11.917 1.979 6.917 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.468 1.558 4.386 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.737 -0.076 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.667 0.671 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.279 1.766 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.642 2.240 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.047 -0.475 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.003 1.086 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.911 -0.229 4.336 1.00 0.00 H new ATOM 745 N VAL A 55 -14.631 3.716 4.661 1.00 0.00 N ATOM 746 CA VAL A 55 -15.188 5.096 4.739 1.00 0.00 C ATOM 747 C VAL A 55 -16.189 5.242 3.590 1.00 0.00 C ATOM 748 O VAL A 55 -17.280 4.710 3.637 1.00 0.00 O ATOM 749 CB VAL A 55 -14.055 6.118 4.582 1.00 0.00 C ATOM 750 CG1 VAL A 55 -13.405 6.389 5.941 1.00 0.00 C ATOM 751 CG2 VAL A 55 -13.000 5.562 3.623 1.00 0.00 C ATOM 0 H VAL A 55 -14.816 3.233 3.782 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.674 5.270 5.699 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.464 7.047 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.601 7.116 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.152 6.784 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.998 5.460 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.194 6.286 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.598 4.631 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.456 5.371 2.651 1.00 0.00 H new ATOM 761 N ALA A 56 -15.805 5.907 2.537 1.00 0.00 N ATOM 762 CA ALA A 56 -16.703 6.028 1.362 1.00 0.00 C ATOM 763 C ALA A 56 -16.193 5.024 0.332 1.00 0.00 C ATOM 764 O ALA A 56 -16.308 5.205 -0.864 1.00 0.00 O ATOM 765 CB ALA A 56 -16.613 7.440 0.798 1.00 0.00 C ATOM 0 H ALA A 56 -14.903 6.373 2.442 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.742 5.833 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.272 7.530 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.915 8.157 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.587 7.645 0.494 1.00 0.00 H new ATOM 771 N GLY A 57 -15.592 3.980 0.825 1.00 0.00 N ATOM 772 CA GLY A 57 -15.005 2.929 -0.043 1.00 0.00 C ATOM 773 C GLY A 57 -14.040 2.137 0.817 1.00 0.00 C ATOM 774 O GLY A 57 -14.409 1.598 1.841 1.00 0.00 O ATOM 0 H GLY A 57 -15.481 3.808 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.784 2.282 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.489 3.374 -0.893 1.00 0.00 H new ATOM 778 N THR A 58 -12.805 2.078 0.442 1.00 0.00 N ATOM 779 CA THR A 58 -11.840 1.334 1.297 1.00 0.00 C ATOM 780 C THR A 58 -10.407 1.768 1.012 1.00 0.00 C ATOM 781 O THR A 58 -9.814 1.379 0.026 1.00 0.00 O ATOM 782 CB THR A 58 -11.962 -0.171 1.055 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.326 -0.556 1.154 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.137 -0.914 2.112 1.00 0.00 C ATOM 0 H THR A 58 -12.419 2.502 -0.402 1.00 0.00 H new ATOM 0 HA THR A 58 -12.080 1.560 2.336 1.00 0.00 H new ATOM 0 HB THR A 58 -11.591 -0.419 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.798 0.062 1.751 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.218 -1.988 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.092 -0.613 2.036 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.514 -0.670 3.105 1.00 0.00 H new ATOM 792 N ASN A 59 -9.830 2.539 1.890 1.00 0.00 N ATOM 793 CA ASN A 59 -8.440 2.952 1.699 1.00 0.00 C ATOM 794 C ASN A 59 -7.571 1.718 1.907 1.00 0.00 C ATOM 795 O ASN A 59 -8.075 0.645 2.166 1.00 0.00 O ATOM 796 CB ASN A 59 -8.116 4.016 2.738 1.00 0.00 C ATOM 797 CG ASN A 59 -9.163 5.132 2.673 1.00 0.00 C ATOM 798 OD1 ASN A 59 -9.985 5.306 3.674 1.00 0.00 O flip ATOM 799 ND2 ASN A 59 -9.236 5.853 1.698 1.00 0.00 N flip ATOM 0 H ASN A 59 -10.277 2.896 2.734 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.265 3.364 0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.102 3.574 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.122 4.425 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.595 5.719 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.938 6.592 1.662 1.00 0.00 H new ATOM 806 N TYR A 60 -6.286 1.849 1.817 1.00 0.00 N ATOM 807 CA TYR A 60 -5.409 0.664 2.023 1.00 0.00 C ATOM 808 C TYR A 60 -4.167 1.087 2.788 1.00 0.00 C ATOM 809 O TYR A 60 -3.715 2.204 2.685 1.00 0.00 O ATOM 810 CB TYR A 60 -4.929 0.085 0.686 1.00 0.00 C ATOM 811 CG TYR A 60 -6.082 -0.294 -0.206 1.00 0.00 C ATOM 812 CD1 TYR A 60 -7.228 -0.895 0.316 1.00 0.00 C ATOM 813 CD2 TYR A 60 -5.984 -0.047 -1.574 1.00 0.00 C ATOM 814 CE1 TYR A 60 -8.280 -1.244 -0.538 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.029 -0.393 -2.430 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.182 -0.993 -1.912 1.00 0.00 C ATOM 817 OH TYR A 60 -9.219 -1.340 -2.752 1.00 0.00 O ATOM 0 H TYR A 60 -5.800 2.722 1.610 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.989 -0.083 2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.301 0.817 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.309 -0.792 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.303 -1.090 1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.093 0.415 -1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.169 -1.708 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.949 -0.198 -3.489 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.067 -1.289 -2.263 1.00 0.00 H new ATOM 827 N TYR A 61 -3.590 0.163 3.489 1.00 0.00 N ATOM 828 CA TYR A 61 -2.330 0.418 4.234 1.00 0.00 C ATOM 829 C TYR A 61 -1.457 -0.774 3.899 1.00 0.00 C ATOM 830 O TYR A 61 -1.941 -1.882 3.844 1.00 0.00 O ATOM 831 CB TYR A 61 -2.596 0.470 5.744 1.00 0.00 C ATOM 832 CG TYR A 61 -3.527 1.614 6.085 1.00 0.00 C ATOM 833 CD1 TYR A 61 -3.558 2.767 5.294 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.360 1.517 7.209 1.00 0.00 C ATOM 835 CE1 TYR A 61 -4.422 3.820 5.626 1.00 0.00 C ATOM 836 CE2 TYR A 61 -5.220 2.569 7.538 1.00 0.00 C ATOM 837 CZ TYR A 61 -5.253 3.721 6.746 1.00 0.00 C ATOM 838 OH TYR A 61 -6.100 4.761 7.071 1.00 0.00 O ATOM 0 H TYR A 61 -3.948 -0.788 3.581 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.872 1.370 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.034 -0.472 6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.654 0.589 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.917 2.846 4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.337 0.628 7.822 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.446 4.710 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.860 2.492 8.405 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.608 4.530 7.876 1.00 0.00 H new ATOM 848 N ILE A 62 -0.211 -0.601 3.593 1.00 0.00 N ATOM 849 CA ILE A 62 0.551 -1.805 3.196 1.00 0.00 C ATOM 850 C ILE A 62 2.039 -1.664 3.467 1.00 0.00 C ATOM 851 O ILE A 62 2.678 -0.729 3.031 1.00 0.00 O ATOM 852 CB ILE A 62 0.378 -2.032 1.694 1.00 0.00 C ATOM 853 CG1 ILE A 62 -1.107 -2.012 1.292 1.00 0.00 C ATOM 854 CG2 ILE A 62 0.983 -3.389 1.341 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.229 -1.839 -0.224 1.00 0.00 C ATOM 0 H ILE A 62 0.298 0.283 3.598 1.00 0.00 H new ATOM 0 HA ILE A 62 0.165 -2.638 3.784 1.00 0.00 H new ATOM 0 HB ILE A 62 0.881 -1.230 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.590 -2.939 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.621 -1.198 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.870 -3.571 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.042 -3.394 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.470 -4.172 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.282 -1.825 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.762 -0.900 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.730 -2.668 -0.726 1.00 0.00 H new ATOM 867 N LYS A 63 2.612 -2.636 4.113 1.00 0.00 N ATOM 868 CA LYS A 63 4.073 -2.604 4.326 1.00 0.00 C ATOM 869 C LYS A 63 4.653 -3.534 3.266 1.00 0.00 C ATOM 870 O LYS A 63 4.545 -4.740 3.370 1.00 0.00 O ATOM 871 CB LYS A 63 4.446 -3.096 5.730 1.00 0.00 C ATOM 872 CG LYS A 63 3.264 -3.826 6.370 1.00 0.00 C ATOM 873 CD LYS A 63 3.647 -4.266 7.786 1.00 0.00 C ATOM 874 CE LYS A 63 5.002 -4.973 7.749 1.00 0.00 C ATOM 875 NZ LYS A 63 5.338 -5.476 9.111 1.00 0.00 N ATOM 0 H LYS A 63 2.130 -3.447 4.500 1.00 0.00 H new ATOM 0 HA LYS A 63 4.463 -1.589 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.306 -3.763 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.740 -2.251 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.393 -3.172 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.989 -4.693 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.694 -3.401 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.886 -4.935 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.973 -5.801 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.774 -4.285 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.226 -6.015 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.449 -4.671 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.573 -6.093 9.452 1.00 0.00 H new ATOM 889 N VAL A 64 5.204 -2.988 2.218 1.00 0.00 N ATOM 890 CA VAL A 64 5.713 -3.827 1.123 1.00 0.00 C ATOM 891 C VAL A 64 7.240 -3.799 1.082 1.00 0.00 C ATOM 892 O VAL A 64 7.854 -2.764 1.239 1.00 0.00 O ATOM 893 CB VAL A 64 5.180 -3.228 -0.171 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.692 -3.548 -0.325 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.369 -1.708 -0.150 1.00 0.00 C ATOM 0 H VAL A 64 5.320 -1.984 2.082 1.00 0.00 H new ATOM 0 HA VAL A 64 5.394 -4.860 1.262 1.00 0.00 H new ATOM 0 HB VAL A 64 5.729 -3.656 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.321 -3.115 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.553 -4.629 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.141 -3.129 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.987 -1.281 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.826 -1.285 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.429 -1.474 -0.053 1.00 0.00 H new ATOM 905 N ARG A 65 7.859 -4.918 0.828 1.00 0.00 N ATOM 906 CA ARG A 65 9.343 -4.929 0.729 1.00 0.00 C ATOM 907 C ARG A 65 9.716 -4.135 -0.505 1.00 0.00 C ATOM 908 O ARG A 65 9.220 -4.385 -1.584 1.00 0.00 O ATOM 909 CB ARG A 65 9.864 -6.358 0.586 1.00 0.00 C ATOM 910 CG ARG A 65 8.924 -7.329 1.302 1.00 0.00 C ATOM 911 CD ARG A 65 9.750 -8.331 2.110 1.00 0.00 C ATOM 912 NE ARG A 65 10.161 -9.462 1.232 1.00 0.00 N ATOM 913 CZ ARG A 65 11.129 -10.256 1.606 1.00 0.00 C ATOM 914 NH1 ARG A 65 10.903 -11.186 2.492 1.00 0.00 N ATOM 915 NH2 ARG A 65 12.322 -10.117 1.095 1.00 0.00 N ATOM 0 H ARG A 65 7.404 -5.820 0.686 1.00 0.00 H new ATOM 0 HA ARG A 65 9.782 -4.498 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.940 -6.623 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.867 -6.432 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.250 -6.781 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.303 -7.854 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.631 -7.841 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.166 -8.704 2.952 1.00 0.00 H new ATOM 0 HE ARG A 65 9.688 -9.616 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.971 -11.293 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.658 -11.806 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.499 -9.388 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.077 -10.737 1.387 1.00 0.00 H new ATOM 929 N ALA A 66 10.575 -3.172 -0.341 1.00 0.00 N ATOM 930 CA ALA A 66 10.993 -2.312 -1.480 1.00 0.00 C ATOM 931 C ALA A 66 12.111 -2.994 -2.252 1.00 0.00 C ATOM 932 O ALA A 66 13.105 -2.393 -2.608 1.00 0.00 O ATOM 933 CB ALA A 66 11.494 -0.985 -0.933 1.00 0.00 C ATOM 0 H ALA A 66 11.013 -2.940 0.550 1.00 0.00 H new ATOM 0 HA ALA A 66 10.147 -2.146 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.804 -0.345 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.695 -0.497 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.343 -1.161 -0.272 1.00 0.00 H new ATOM 939 N GLY A 67 11.945 -4.246 -2.503 1.00 0.00 N ATOM 940 CA GLY A 67 12.983 -5.011 -3.253 1.00 0.00 C ATOM 941 C GLY A 67 14.050 -5.509 -2.277 1.00 0.00 C ATOM 942 O GLY A 67 13.883 -6.521 -1.627 1.00 0.00 O ATOM 0 H GLY A 67 11.129 -4.789 -2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.526 -5.854 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.438 -4.378 -4.015 1.00 0.00 H new ATOM 946 N ASP A 68 15.147 -4.809 -2.175 1.00 0.00 N ATOM 947 CA ASP A 68 16.224 -5.236 -1.249 1.00 0.00 C ATOM 948 C ASP A 68 15.663 -5.356 0.172 1.00 0.00 C ATOM 949 O ASP A 68 14.475 -5.512 0.370 1.00 0.00 O ATOM 950 CB ASP A 68 17.349 -4.199 -1.265 1.00 0.00 C ATOM 951 CG ASP A 68 18.670 -4.879 -1.631 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.953 -5.923 -1.067 1.00 0.00 O ATOM 953 OD2 ASP A 68 19.377 -4.343 -2.469 1.00 0.00 O ATOM 0 H ASP A 68 15.341 -3.955 -2.698 1.00 0.00 H new ATOM 0 HA ASP A 68 16.613 -6.203 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.122 -3.412 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.432 -3.723 -0.288 1.00 0.00 H new ATOM 958 N ASN A 92 16.508 -5.274 1.163 1.00 0.00 N ATOM 959 CA ASN A 92 16.022 -5.373 2.570 1.00 0.00 C ATOM 960 C ASN A 92 15.262 -4.100 2.937 1.00 0.00 C ATOM 961 O ASN A 92 14.670 -4.002 3.993 1.00 0.00 O ATOM 962 CB ASN A 92 17.216 -5.542 3.513 1.00 0.00 C ATOM 963 CG ASN A 92 18.127 -4.317 3.406 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.808 -3.261 3.916 1.00 0.00 O ATOM 965 ND2 ASN A 92 19.258 -4.413 2.761 1.00 0.00 N ATOM 0 H ASN A 92 17.514 -5.143 1.060 1.00 0.00 H new ATOM 0 HA ASN A 92 15.359 -6.233 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 92 16.869 -5.662 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.771 -6.445 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 92 19.873 -3.602 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 92 19.527 -5.299 2.332 1.00 0.00 H new ATOM 972 N LYS A 93 15.271 -3.123 2.072 1.00 0.00 N ATOM 973 CA LYS A 93 14.547 -1.858 2.374 1.00 0.00 C ATOM 974 C LYS A 93 13.042 -2.122 2.335 1.00 0.00 C ATOM 975 O LYS A 93 12.595 -3.133 1.831 1.00 0.00 O ATOM 976 CB LYS A 93 14.922 -0.798 1.336 1.00 0.00 C ATOM 977 CG LYS A 93 16.420 -0.505 1.441 1.00 0.00 C ATOM 978 CD LYS A 93 16.830 0.499 0.362 1.00 0.00 C ATOM 979 CE LYS A 93 17.682 1.602 0.992 1.00 0.00 C ATOM 980 NZ LYS A 93 19.072 1.102 1.202 1.00 0.00 N ATOM 0 H LYS A 93 15.748 -3.147 1.171 1.00 0.00 H new ATOM 0 HA LYS A 93 14.824 -1.498 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.677 -1.149 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.348 0.113 1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.653 -0.107 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.989 -1.428 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.391 -0.005 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.944 0.930 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.694 2.480 0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.249 1.912 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.650 1.853 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.052 0.277 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.484 0.827 0.287 1.00 0.00 H new ATOM 994 N TYR A 94 12.258 -1.231 2.872 1.00 0.00 N ATOM 995 CA TYR A 94 10.784 -1.444 2.874 1.00 0.00 C ATOM 996 C TYR A 94 10.074 -0.142 2.505 1.00 0.00 C ATOM 997 O TYR A 94 10.683 0.907 2.435 1.00 0.00 O ATOM 998 CB TYR A 94 10.351 -1.894 4.268 1.00 0.00 C ATOM 999 CG TYR A 94 10.444 -3.397 4.348 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.699 -4.009 4.412 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.282 -4.180 4.354 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.798 -5.401 4.483 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.381 -5.574 4.423 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.639 -6.185 4.489 1.00 0.00 C ATOM 1005 OH TYR A 94 10.737 -7.560 4.563 1.00 0.00 O ATOM 0 H TYR A 94 12.573 -0.365 3.309 1.00 0.00 H new ATOM 0 HA TYR A 94 10.520 -2.208 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.987 -1.436 5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.330 -1.568 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.594 -3.405 4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.312 -3.708 4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.769 -5.872 4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.486 -6.179 4.425 1.00 0.00 H new ATOM 0 HH TYR A 94 9.949 -7.920 5.022 1.00 0.00 H new ATOM 1015 N MET A 95 8.789 -0.194 2.261 1.00 0.00 N ATOM 1016 CA MET A 95 8.063 1.049 1.892 1.00 0.00 C ATOM 1017 C MET A 95 6.583 0.909 2.258 1.00 0.00 C ATOM 1018 O MET A 95 5.861 0.120 1.680 1.00 0.00 O ATOM 1019 CB MET A 95 8.206 1.283 0.388 1.00 0.00 C ATOM 1020 CG MET A 95 7.313 2.448 -0.044 1.00 0.00 C ATOM 1021 SD MET A 95 7.053 2.365 -1.831 1.00 0.00 S ATOM 1022 CE MET A 95 8.455 3.398 -2.317 1.00 0.00 C ATOM 0 H MET A 95 8.219 -1.039 2.302 1.00 0.00 H new ATOM 0 HA MET A 95 8.483 1.896 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.246 1.499 0.142 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.930 0.380 -0.157 1.00 0.00 H new ATOM 0 HG2 MET A 95 6.357 2.402 0.477 1.00 0.00 H new ATOM 0 HG3 MET A 95 7.777 3.397 0.225 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.485 3.483 -3.403 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.345 4.390 -1.879 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.381 2.945 -1.962 1.00 0.00 H new ATOM 1032 N HIS A 96 6.124 1.681 3.207 1.00 0.00 N ATOM 1033 CA HIS A 96 4.686 1.605 3.598 1.00 0.00 C ATOM 1034 C HIS A 96 3.865 2.283 2.503 1.00 0.00 C ATOM 1035 O HIS A 96 4.375 3.097 1.761 1.00 0.00 O ATOM 1036 CB HIS A 96 4.469 2.340 4.922 1.00 0.00 C ATOM 1037 CG HIS A 96 4.458 1.363 6.059 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.078 0.055 6.122 1.00 0.00 N flip ATOM 1039 CD2 HIS A 96 4.874 1.700 7.340 1.00 0.00 C flip ATOM 1040 CE1 HIS A 96 4.260 -0.427 7.415 1.00 0.00 C flip ATOM 1041 NE2 HIS A 96 4.733 0.608 8.111 1.00 0.00 N flip ATOM 0 H HIS A 96 6.681 2.359 3.727 1.00 0.00 H new ATOM 0 HA HIS A 96 4.383 0.565 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.259 3.075 5.072 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.526 2.887 4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.243 2.664 7.659 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.061 -1.425 7.777 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.960 0.575 9.105 1.00 0.00 H new ATOM 1049 N LEU A 97 2.609 1.960 2.375 1.00 0.00 N ATOM 1050 CA LEU A 97 1.817 2.612 1.297 1.00 0.00 C ATOM 1051 C LEU A 97 0.350 2.766 1.689 1.00 0.00 C ATOM 1052 O LEU A 97 -0.258 1.885 2.262 1.00 0.00 O ATOM 1053 CB LEU A 97 1.903 1.773 0.026 1.00 0.00 C ATOM 1054 CG LEU A 97 1.392 2.607 -1.146 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.581 3.138 -1.944 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.515 1.739 -2.048 1.00 0.00 C ATOM 0 H LEU A 97 2.106 1.289 2.955 1.00 0.00 H new ATOM 0 HA LEU A 97 2.234 3.605 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.932 1.461 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.309 0.865 0.131 1.00 0.00 H new ATOM 0 HG LEU A 97 0.803 3.444 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.220 3.734 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.204 3.758 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.169 2.301 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.151 2.336 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.100 0.901 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.332 1.360 -1.476 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.222 3.887 1.346 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.657 4.134 1.648 1.00 0.00 C ATOM 1070 C LYS A 98 -2.389 4.408 0.327 1.00 0.00 C ATOM 1071 O LYS A 98 -2.222 5.445 -0.274 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.780 5.354 2.562 1.00 0.00 C ATOM 1073 CG LYS A 98 -3.252 5.730 2.713 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.358 7.140 3.296 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.825 7.572 3.336 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.941 8.972 2.839 1.00 0.00 N ATOM 0 H LYS A 98 0.251 4.651 0.863 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.093 3.268 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.347 5.135 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.220 6.192 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.751 5.686 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.756 5.016 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.935 7.161 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.779 7.838 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.429 6.905 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.209 7.503 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.298 9.583 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.006 9.311 2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.600 9.001 2.035 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.186 3.483 -0.144 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.896 3.706 -1.440 1.00 0.00 C ATOM 1092 C VAL A 99 -5.387 3.966 -1.176 1.00 0.00 C ATOM 1093 O VAL A 99 -5.905 3.621 -0.140 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.757 2.433 -2.304 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.977 2.281 -3.211 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.519 2.512 -3.189 1.00 0.00 C ATOM 0 H VAL A 99 -3.375 2.589 0.309 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.463 4.565 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.674 1.581 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.870 1.381 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.877 2.203 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.056 3.150 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.442 1.605 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.597 3.377 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.631 2.611 -2.565 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.100 4.527 -2.123 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.557 4.727 -1.899 1.00 0.00 C ATOM 1108 C PHE A 100 -8.323 4.052 -3.033 1.00 0.00 C ATOM 1109 O PHE A 100 -7.995 4.211 -4.198 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.906 6.213 -1.862 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.383 6.369 -1.609 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.042 5.499 -0.734 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.098 7.382 -2.261 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.417 5.640 -0.508 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.474 7.523 -2.037 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.133 6.653 -1.160 1.00 0.00 C ATOM 0 H PHE A 100 -5.741 4.848 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.832 4.289 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.336 6.713 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.635 6.686 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.490 4.718 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.589 8.054 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.925 4.969 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.026 8.303 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.193 6.763 -0.986 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.337 3.299 -2.704 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.129 2.621 -3.762 1.00 0.00 C ATOM 1128 C LYS A 101 -11.472 3.319 -3.890 1.00 0.00 C ATOM 1129 O LYS A 101 -12.184 3.521 -2.926 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.353 1.161 -3.405 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.937 0.427 -4.612 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.221 -0.292 -4.198 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.255 -1.679 -4.837 1.00 0.00 C ATOM 1134 NZ LYS A 101 -12.213 -2.718 -3.770 1.00 0.00 N ATOM 0 H LYS A 101 -9.649 3.126 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.584 2.670 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.412 0.700 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.031 1.083 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.146 1.134 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.214 -0.291 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.269 -0.378 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.091 0.286 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.159 -1.793 -5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.408 -1.801 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.236 -3.663 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.339 -2.612 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.035 -2.605 -3.143 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.569 3.034 -8.630 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.101 3.268 -7.236 1.00 0.00 C ATOM 1259 C LEU A 108 -6.099 4.394 -7.227 1.00 0.00 C ATOM 1260 O LEU A 108 -5.860 5.053 -8.219 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.442 2.004 -6.690 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.518 1.020 -6.235 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.611 0.934 -7.296 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.886 -0.361 -6.037 1.00 0.00 C ATOM 0 HA LEU A 108 -7.955 3.528 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.818 1.547 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.788 2.255 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.954 1.361 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.379 0.232 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.057 1.918 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.179 0.590 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.650 -1.067 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.453 -0.701 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.104 -0.298 -5.280 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.551 4.651 -6.091 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.603 5.782 -5.986 1.00 0.00 C ATOM 1278 C VAL A 109 -3.575 5.557 -4.881 1.00 0.00 C ATOM 1279 O VAL A 109 -3.746 4.733 -4.009 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.434 6.985 -5.621 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.055 6.718 -4.270 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.567 8.241 -5.563 1.00 0.00 C ATOM 0 H VAL A 109 -5.714 4.132 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.060 5.901 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.205 7.151 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.665 7.572 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.681 5.827 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.268 6.562 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.186 9.098 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.787 8.110 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.108 8.412 -6.537 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.524 6.328 -4.903 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.489 6.244 -3.877 1.00 0.00 C ATOM 1294 C LEU A 110 -1.737 7.420 -2.920 1.00 0.00 C ATOM 1295 O LEU A 110 -1.191 8.494 -3.072 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.160 6.373 -4.608 1.00 0.00 C ATOM 1297 CG LEU A 110 0.911 6.868 -3.670 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.958 5.948 -2.460 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.241 6.840 -4.409 1.00 0.00 C ATOM 0 H LEU A 110 -2.349 7.031 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.492 5.316 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.129 5.407 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.264 7.062 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 110 0.703 7.885 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.729 6.293 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.009 5.958 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.188 4.933 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.032 7.195 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.461 5.820 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.184 7.485 -5.286 1.00 0.00 H new ATOM 1311 N THR A 111 -2.622 7.243 -1.978 1.00 0.00 N ATOM 1312 CA THR A 111 -2.977 8.365 -1.052 1.00 0.00 C ATOM 1313 C THR A 111 -1.857 8.656 -0.043 1.00 0.00 C ATOM 1314 O THR A 111 -1.872 9.672 0.621 1.00 0.00 O ATOM 1315 CB THR A 111 -4.261 8.002 -0.304 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.278 6.606 -0.046 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.471 8.375 -1.162 1.00 0.00 C ATOM 0 H THR A 111 -3.118 6.369 -1.806 1.00 0.00 H new ATOM 0 HA THR A 111 -3.121 9.266 -1.649 1.00 0.00 H new ATOM 0 HB THR A 111 -4.300 8.547 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.359 6.265 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.387 8.117 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.458 9.446 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.432 7.828 -2.104 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.887 7.795 0.085 1.00 0.00 N ATOM 1326 CA GLY A 112 0.209 8.074 1.062 1.00 0.00 C ATOM 1327 C GLY A 112 1.273 6.986 0.979 1.00 0.00 C ATOM 1328 O GLY A 112 1.292 6.200 0.057 1.00 0.00 O ATOM 0 H GLY A 112 -0.803 6.921 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.655 9.046 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.197 8.120 2.073 1.00 0.00 H new ATOM 1332 N TYR A 113 2.166 6.945 1.933 1.00 0.00 N ATOM 1333 CA TYR A 113 3.240 5.935 1.914 1.00 0.00 C ATOM 1334 C TYR A 113 4.331 6.350 2.904 1.00 0.00 C ATOM 1335 O TYR A 113 4.734 7.494 2.942 1.00 0.00 O ATOM 1336 CB TYR A 113 3.865 5.905 0.527 1.00 0.00 C ATOM 1337 CG TYR A 113 4.225 7.316 0.129 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.449 7.857 0.533 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.334 8.089 -0.625 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.786 9.167 0.187 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.669 9.403 -0.971 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.896 9.942 -0.565 1.00 0.00 C ATOM 1343 OH TYR A 113 5.228 11.238 -0.903 1.00 0.00 O ATOM 0 H TYR A 113 2.189 7.581 2.730 1.00 0.00 H new ATOM 0 HA TYR A 113 2.829 4.960 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.754 5.274 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.168 5.475 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.136 7.260 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.389 7.672 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.733 9.582 0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 113 2.982 10.001 -1.551 1.00 0.00 H new ATOM 0 HH TYR A 113 5.929 11.228 -1.588 1.00 0.00 H new ATOM 1353 N GLN A 114 4.856 5.436 3.664 1.00 0.00 N ATOM 1354 CA GLN A 114 5.970 5.812 4.578 1.00 0.00 C ATOM 1355 C GLN A 114 7.241 5.358 3.875 1.00 0.00 C ATOM 1356 O GLN A 114 7.589 4.199 3.899 1.00 0.00 O ATOM 1357 CB GLN A 114 5.850 5.116 5.944 1.00 0.00 C ATOM 1358 CG GLN A 114 4.381 4.837 6.272 1.00 0.00 C ATOM 1359 CD GLN A 114 3.732 6.093 6.853 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.392 7.091 7.067 1.00 0.00 O ATOM 1361 NE2 GLN A 114 2.452 6.087 7.119 1.00 0.00 N ATOM 0 H GLN A 114 4.569 4.458 3.695 1.00 0.00 H new ATOM 0 HA GLN A 114 5.960 6.883 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.411 4.182 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.290 5.744 6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.851 4.526 5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.308 4.016 6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.898 5.250 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.008 6.920 7.506 1.00 0.00 H new ATOM 1370 N VAL A 115 7.904 6.241 3.192 1.00 0.00 N ATOM 1371 CA VAL A 115 9.101 5.829 2.441 1.00 0.00 C ATOM 1372 C VAL A 115 10.222 5.419 3.383 1.00 0.00 C ATOM 1373 O VAL A 115 10.212 5.719 4.562 1.00 0.00 O ATOM 1374 CB VAL A 115 9.547 6.987 1.570 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.234 8.026 2.436 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.513 6.477 0.518 1.00 0.00 C ATOM 0 H VAL A 115 7.664 7.230 3.125 1.00 0.00 H new ATOM 0 HA VAL A 115 8.858 4.966 1.822 1.00 0.00 H new ATOM 0 HB VAL A 115 8.684 7.437 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.557 8.861 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.538 8.385 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.101 7.579 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.837 7.306 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.380 6.031 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.017 5.726 -0.098 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.189 4.729 2.859 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.329 4.276 3.698 1.00 0.00 C ATOM 1388 C ASP A 115A 11.808 3.611 4.978 1.00 0.00 C ATOM 1389 O ASP A 115A 12.481 3.594 5.990 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.201 5.479 4.064 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.661 5.033 4.168 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.894 3.951 4.678 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.520 5.782 3.735 1.00 0.00 O ATOM 0 H ASP A 115A 11.241 4.456 1.877 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.920 3.552 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.100 6.259 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.871 5.907 5.011 1.00 0.00 H new ATOM 1398 N LYS A 116 10.621 3.054 4.952 1.00 0.00 N ATOM 1399 CA LYS A 116 10.092 2.396 6.161 1.00 0.00 C ATOM 1400 C LYS A 116 10.934 1.145 6.441 1.00 0.00 C ATOM 1401 O LYS A 116 12.000 0.977 5.885 1.00 0.00 O ATOM 1402 CB LYS A 116 8.611 2.050 5.908 1.00 0.00 C ATOM 1403 CG LYS A 116 8.452 0.678 5.236 1.00 0.00 C ATOM 1404 CD LYS A 116 7.123 0.058 5.671 1.00 0.00 C ATOM 1405 CE LYS A 116 7.252 -1.466 5.700 1.00 0.00 C ATOM 1406 NZ LYS A 116 6.909 -2.020 4.359 1.00 0.00 N ATOM 0 H LYS A 116 10.004 3.033 4.140 1.00 0.00 H new ATOM 0 HA LYS A 116 10.150 3.044 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.070 2.056 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.161 2.817 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.480 0.785 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.280 0.025 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.843 0.428 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.330 0.353 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.268 -1.750 5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.589 -1.883 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.552 -2.991 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.177 -1.429 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.758 -2.027 3.759 1.00 0.00 H new ATOM 1420 N ASN A 117 10.482 0.269 7.295 1.00 0.00 N ATOM 1421 CA ASN A 117 11.290 -0.953 7.588 1.00 0.00 C ATOM 1422 C ASN A 117 10.367 -2.121 7.944 1.00 0.00 C ATOM 1423 O ASN A 117 9.158 -2.000 7.925 1.00 0.00 O ATOM 1424 CB ASN A 117 12.237 -0.684 8.766 1.00 0.00 C ATOM 1425 CG ASN A 117 12.453 0.823 8.938 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.240 1.457 8.113 1.00 0.00 O flip ATOM 1427 ND2 ASN A 117 11.900 1.429 9.834 1.00 0.00 N flip ATOM 0 H ASN A 117 9.598 0.342 7.799 1.00 0.00 H new ATOM 0 HA ASN A 117 11.871 -1.207 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.820 -1.106 9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.193 -1.178 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 117 11.284 0.935 10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.051 2.432 9.940 1.00 0.00 H new ATOM 1434 N LYS A 118 10.933 -3.251 8.273 1.00 0.00 N ATOM 1435 CA LYS A 118 10.100 -4.432 8.637 1.00 0.00 C ATOM 1436 C LYS A 118 9.461 -4.196 10.005 1.00 0.00 C ATOM 1437 O LYS A 118 8.355 -4.624 10.268 1.00 0.00 O ATOM 1438 CB LYS A 118 10.985 -5.677 8.698 1.00 0.00 C ATOM 1439 CG LYS A 118 10.115 -6.933 8.621 1.00 0.00 C ATOM 1440 CD LYS A 118 10.723 -8.028 9.499 1.00 0.00 C ATOM 1441 CE LYS A 118 11.905 -8.671 8.771 1.00 0.00 C ATOM 1442 NZ LYS A 118 11.777 -10.155 8.832 1.00 0.00 N ATOM 0 H LYS A 118 11.941 -3.407 8.305 1.00 0.00 H new ATOM 0 HA LYS A 118 9.320 -4.575 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.700 -5.667 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 118 11.563 -5.679 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.101 -6.707 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 118 10.044 -7.277 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 118 11.053 -7.606 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.971 -8.782 9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.931 -8.340 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 118 12.843 -8.357 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.580 -10.593 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.773 -10.463 9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.889 -10.446 8.376 1.00 0.00 H new ATOM 1456 N ASP A 119 10.153 -3.520 10.880 1.00 0.00 N ATOM 1457 CA ASP A 119 9.591 -3.254 12.233 1.00 0.00 C ATOM 1458 C ASP A 119 8.577 -2.113 12.152 1.00 0.00 C ATOM 1459 O ASP A 119 7.813 -1.887 13.068 1.00 0.00 O ATOM 1460 CB ASP A 119 10.721 -2.859 13.186 1.00 0.00 C ATOM 1461 CG ASP A 119 10.473 -3.480 14.561 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.389 -3.293 15.087 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.372 -4.132 15.066 1.00 0.00 O ATOM 0 H ASP A 119 11.085 -3.140 10.716 1.00 0.00 H new ATOM 0 HA ASP A 119 9.098 -4.153 12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.679 -3.197 12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.776 -1.774 13.271 1.00 0.00 H new ATOM 1468 N ASP A 120 8.563 -1.385 11.069 1.00 0.00 N ATOM 1469 CA ASP A 120 7.595 -0.259 10.954 1.00 0.00 C ATOM 1470 C ASP A 120 6.193 -0.804 10.755 1.00 0.00 C ATOM 1471 O ASP A 120 5.825 -1.208 9.672 1.00 0.00 O ATOM 1472 CB ASP A 120 7.934 0.617 9.752 1.00 0.00 C ATOM 1473 CG ASP A 120 7.754 2.090 10.123 1.00 0.00 C ATOM 1474 OD1 ASP A 120 7.261 2.350 11.208 1.00 0.00 O ATOM 1475 OD2 ASP A 120 8.111 2.932 9.315 1.00 0.00 O ATOM 0 H ASP A 120 9.175 -1.520 10.265 1.00 0.00 H new ATOM 0 HA ASP A 120 7.651 0.329 11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.961 0.434 9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.290 0.362 8.910 1.00 0.00 H new ATOM 1480 N GLU A 121 5.394 -0.785 11.771 1.00 0.00 N ATOM 1481 CA GLU A 121 4.006 -1.260 11.602 1.00 0.00 C ATOM 1482 C GLU A 121 3.187 -0.059 11.146 1.00 0.00 C ATOM 1483 O GLU A 121 3.459 1.060 11.534 1.00 0.00 O ATOM 1484 CB GLU A 121 3.469 -1.787 12.934 1.00 0.00 C ATOM 1485 CG GLU A 121 2.839 -3.164 12.720 1.00 0.00 C ATOM 1486 CD GLU A 121 1.522 -3.247 13.491 1.00 0.00 C ATOM 1487 OE1 GLU A 121 1.290 -2.384 14.320 1.00 0.00 O ATOM 1488 OE2 GLU A 121 0.770 -4.173 13.239 1.00 0.00 O ATOM 0 H GLU A 121 5.639 -0.463 12.707 1.00 0.00 H new ATOM 0 HA GLU A 121 3.952 -2.071 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.277 -1.854 13.663 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.730 -1.096 13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.662 -3.334 11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.521 -3.944 13.058 1.00 0.00 H new ATOM 1495 N LEU A 122 2.200 -0.251 10.329 1.00 0.00 N ATOM 1496 CA LEU A 122 1.405 0.919 9.883 1.00 0.00 C ATOM 1497 C LEU A 122 0.650 1.472 11.087 1.00 0.00 C ATOM 1498 O LEU A 122 0.586 2.668 11.292 1.00 0.00 O ATOM 1499 CB LEU A 122 0.480 0.486 8.755 1.00 0.00 C ATOM 1500 CG LEU A 122 1.354 -0.279 7.770 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.110 -1.764 7.919 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.075 0.133 6.331 1.00 0.00 C ATOM 0 H LEU A 122 1.910 -1.154 9.953 1.00 0.00 H new ATOM 0 HA LEU A 122 2.040 1.715 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.327 -0.143 9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.016 1.349 8.277 1.00 0.00 H new ATOM 0 HG LEU A 122 2.394 -0.042 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.737 -2.308 7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.355 -2.073 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.061 -1.983 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.718 -0.435 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.031 -0.068 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.276 1.198 6.212 1.00 0.00 H new ATOM 1514 N THR A 123 0.130 0.605 11.927 1.00 0.00 N ATOM 1515 CA THR A 123 -0.565 1.067 13.179 1.00 0.00 C ATOM 1516 C THR A 123 -1.411 2.310 12.906 1.00 0.00 C ATOM 1517 O THR A 123 -1.730 3.079 13.791 1.00 0.00 O ATOM 1518 CB THR A 123 0.506 1.389 14.235 1.00 0.00 C ATOM 1519 OG1 THR A 123 0.193 2.606 14.897 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.873 1.510 13.554 1.00 0.00 C ATOM 0 H THR A 123 0.156 -0.407 11.800 1.00 0.00 H new ATOM 0 HA THR A 123 -1.230 0.280 13.535 1.00 0.00 H new ATOM 0 HB THR A 123 0.533 0.585 14.971 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.772 2.650 15.062 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.633 1.738 14.301 1.00 0.00 H new ATOM 0 HG22 THR A 123 2.119 0.569 13.062 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.841 2.309 12.813 1.00 0.00 H new ATOM 1528 N GLY A 124 -1.773 2.510 11.687 1.00 0.00 N ATOM 1529 CA GLY A 124 -2.590 3.700 11.331 1.00 0.00 C ATOM 1530 C GLY A 124 -1.832 4.514 10.288 1.00 0.00 C ATOM 1531 O GLY A 124 -0.748 5.004 10.538 1.00 0.00 O ATOM 0 H GLY A 124 -1.540 1.898 10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.559 3.391 10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -2.783 4.305 12.217 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.377 4.648 9.114 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.671 5.413 8.054 1.00 0.00 C ATOM 1537 C PHE A 125 -2.245 6.830 7.978 1.00 0.00 C ATOM 1538 O PHE A 125 -2.832 7.263 8.955 1.00 0.00 O ATOM 1539 CB PHE A 125 -1.878 4.702 6.720 1.00 0.00 C ATOM 1540 CG PHE A 125 -0.591 4.693 5.935 1.00 0.00 C ATOM 1541 CD1 PHE A 125 -0.024 5.895 5.499 1.00 0.00 C ATOM 1542 CD2 PHE A 125 0.034 3.474 5.641 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.167 5.877 4.767 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.227 3.458 4.910 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.789 4.663 4.473 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.092 7.456 6.942 1.00 0.00 O ATOM 0 H PHE A 125 -3.281 4.261 8.843 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.607 5.473 8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.216 3.680 6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.659 5.204 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -0.505 6.835 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.405 2.547 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.606 6.804 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.712 2.520 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.708 4.653 3.906 1.00 0.00 H new