USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 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 49 GLN : amide:sc= 0.234 K(o=-1.8,f=-4.8) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -145:sc= -2.02 (180deg=-5.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -149:sc=-0.000634 (180deg=-0.749) USER MOD Single : A 18 THR OG1 : rot 180:sc= -4.14! USER MOD Single : A 22 GLN : amide:sc= -9.96! K(o=-10!,f=-3.4) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -0.0498 (180deg=-1.28!) USER MOD Single : A 31 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.15) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 114:sc= 0.725 USER MOD Single : A 37 ASN : amide:sc= -10.1! C(o=-10!,f=-5.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 0:sc= -6.85! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.047 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 53 GLN : amide:sc= -1.39! C(o=-1.4!,f=-2.4!) USER MOD Single : A 58 THR OG1 : rot -30:sc= 0.311 USER MOD Single : A 59 ASN : amide:sc= -3.75! C(o=-3.7!,f=-6.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= -5.45! USER MOD Single : A 61 TYR OH : rot -85:sc= -0.0152 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 110:sc= -2.97! USER MOD Single : A 95 MET CE :methyl -157:sc= -4.2! (180deg=-4.95!) USER MOD Single : A 96 HIS : no HD1:sc= -16! C(o=-16!,f=-16!) USER MOD Single : A 98 LYS NZ :NH3+ -153:sc= -1.92 (180deg=-2.97!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -169:sc= -2.99! USER MOD Single : A 113 TYR OH : rot 30:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -13.9! C(o=-14!,f=-25!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.48) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.835! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.412 0.209 11.596 1.00 0.00 N ATOM 68 CA LEU A 11 -7.235 -0.639 11.270 1.00 0.00 C ATOM 69 C LEU A 11 -7.381 -2.023 11.884 1.00 0.00 C ATOM 70 O LEU A 11 -7.574 -2.181 13.072 1.00 0.00 O ATOM 71 CB LEU A 11 -5.970 0.024 11.800 1.00 0.00 C ATOM 72 CG LEU A 11 -5.584 1.119 10.825 1.00 0.00 C ATOM 73 CD1 LEU A 11 -5.726 2.482 11.497 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.137 0.932 10.375 1.00 0.00 C ATOM 0 HA LEU A 11 -7.171 -0.746 10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.142 0.439 12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.166 -0.706 11.894 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.243 1.066 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.448 3.266 10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.760 2.627 11.811 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.072 2.528 12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.869 1.723 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.478 0.976 11.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.030 -0.037 9.886 1.00 0.00 H new ATOM 86 N SER A 12 -7.276 -3.024 11.067 1.00 0.00 N ATOM 87 CA SER A 12 -7.389 -4.421 11.569 1.00 0.00 C ATOM 88 C SER A 12 -5.988 -5.018 11.694 1.00 0.00 C ATOM 89 O SER A 12 -5.015 -4.431 11.264 1.00 0.00 O ATOM 90 CB SER A 12 -8.213 -5.254 10.585 1.00 0.00 C ATOM 91 OG SER A 12 -9.581 -4.880 10.684 1.00 0.00 O ATOM 0 H SER A 12 -7.115 -2.938 10.063 1.00 0.00 H new ATOM 0 HA SER A 12 -7.881 -4.425 12.542 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.854 -5.097 9.568 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.097 -6.316 10.804 1.00 0.00 H new ATOM 0 HG SER A 12 -10.112 -5.411 10.054 1.00 0.00 H new ATOM 97 N GLU A 13 -5.872 -6.178 12.277 1.00 0.00 N ATOM 98 CA GLU A 13 -4.535 -6.803 12.419 1.00 0.00 C ATOM 99 C GLU A 13 -3.813 -6.738 11.075 1.00 0.00 C ATOM 100 O GLU A 13 -4.374 -6.326 10.078 1.00 0.00 O ATOM 101 CB GLU A 13 -4.684 -8.265 12.843 1.00 0.00 C ATOM 102 CG GLU A 13 -3.541 -8.649 13.787 1.00 0.00 C ATOM 103 CD GLU A 13 -3.514 -7.684 14.974 1.00 0.00 C ATOM 104 OE1 GLU A 13 -4.385 -7.793 15.820 1.00 0.00 O ATOM 105 OE2 GLU A 13 -2.621 -6.855 15.015 1.00 0.00 O ATOM 0 H GLU A 13 -6.648 -6.718 12.660 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.963 -6.269 13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.643 -8.414 13.339 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.676 -8.911 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.674 -9.672 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.590 -8.616 13.256 1.00 0.00 H new ATOM 112 N ALA A 14 -2.580 -7.147 11.031 1.00 0.00 N ATOM 113 CA ALA A 14 -1.840 -7.105 9.740 1.00 0.00 C ATOM 114 C ALA A 14 -2.326 -8.212 8.828 1.00 0.00 C ATOM 115 O ALA A 14 -1.879 -9.338 8.920 1.00 0.00 O ATOM 116 CB ALA A 14 -0.344 -7.330 9.952 1.00 0.00 C ATOM 0 H ALA A 14 -2.053 -7.507 11.827 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.015 -6.122 9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.169 -7.294 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.052 -6.552 10.605 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.184 -8.305 10.412 1.00 0.00 H new ATOM 122 N LYS A 15 -3.177 -7.911 7.903 1.00 0.00 N ATOM 123 CA LYS A 15 -3.581 -8.976 6.970 1.00 0.00 C ATOM 124 C LYS A 15 -2.331 -9.231 6.150 1.00 0.00 C ATOM 125 O LYS A 15 -1.707 -8.298 5.704 1.00 0.00 O ATOM 126 CB LYS A 15 -4.725 -8.498 6.071 1.00 0.00 C ATOM 127 CG LYS A 15 -5.965 -8.220 6.925 1.00 0.00 C ATOM 128 CD LYS A 15 -6.246 -9.425 7.825 1.00 0.00 C ATOM 129 CE LYS A 15 -5.812 -9.106 9.257 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.233 -10.212 10.164 1.00 0.00 N ATOM 0 H LYS A 15 -3.602 -6.996 7.754 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.943 -9.869 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.429 -7.595 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.951 -9.254 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.809 -7.328 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.824 -8.023 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.308 -9.670 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.709 -10.300 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.730 -8.978 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.257 -8.166 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.434 -9.828 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.089 -10.665 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.470 -10.916 10.231 1.00 0.00 H new ATOM 144 N PRO A 16 -1.949 -10.455 6.003 1.00 0.00 N ATOM 145 CA PRO A 16 -0.724 -10.751 5.268 1.00 0.00 C ATOM 146 C PRO A 16 -0.934 -10.408 3.794 1.00 0.00 C ATOM 147 O PRO A 16 -1.886 -10.840 3.174 1.00 0.00 O ATOM 148 CB PRO A 16 -0.503 -12.247 5.516 1.00 0.00 C ATOM 149 CG PRO A 16 -1.880 -12.821 5.931 1.00 0.00 C ATOM 150 CD PRO A 16 -2.684 -11.633 6.499 1.00 0.00 C ATOM 0 HA PRO A 16 0.148 -10.177 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.130 -12.740 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.238 -12.407 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.391 -13.265 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.766 -13.607 6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.715 -11.641 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.719 -11.656 7.588 1.00 0.00 H new ATOM 158 N ALA A 17 -0.081 -9.590 3.240 1.00 0.00 N ATOM 159 CA ALA A 17 -0.265 -9.172 1.825 1.00 0.00 C ATOM 160 C ALA A 17 -0.532 -10.369 0.920 1.00 0.00 C ATOM 161 O ALA A 17 -0.042 -11.461 1.123 1.00 0.00 O ATOM 162 CB ALA A 17 0.976 -8.441 1.326 1.00 0.00 C ATOM 0 H ALA A 17 0.735 -9.194 3.708 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.128 -8.508 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.829 -8.140 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.149 -7.557 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.840 -9.103 1.393 1.00 0.00 H new ATOM 168 N THR A 18 -1.293 -10.126 -0.102 1.00 0.00 N ATOM 169 CA THR A 18 -1.623 -11.173 -1.103 1.00 0.00 C ATOM 170 C THR A 18 -1.304 -10.546 -2.456 1.00 0.00 C ATOM 171 O THR A 18 -0.712 -9.492 -2.482 1.00 0.00 O ATOM 172 CB THR A 18 -3.116 -11.532 -0.999 1.00 0.00 C ATOM 173 OG1 THR A 18 -3.847 -10.868 -2.009 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.668 -11.088 0.347 1.00 0.00 C ATOM 0 H THR A 18 -1.714 -9.217 -0.292 1.00 0.00 H new ATOM 0 HA THR A 18 -1.061 -12.094 -0.951 1.00 0.00 H new ATOM 0 HB THR A 18 -3.213 -12.612 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.795 -11.104 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.725 -11.347 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.123 -11.589 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.552 -10.009 0.450 1.00 0.00 H new ATOM 182 N PRO A 19 -1.686 -11.147 -3.547 1.00 0.00 N ATOM 183 CA PRO A 19 -1.404 -10.536 -4.848 1.00 0.00 C ATOM 184 C PRO A 19 -2.253 -9.267 -5.022 1.00 0.00 C ATOM 185 O PRO A 19 -1.946 -8.406 -5.827 1.00 0.00 O ATOM 186 CB PRO A 19 -1.744 -11.636 -5.857 1.00 0.00 C ATOM 187 CG PRO A 19 -2.685 -12.620 -5.126 1.00 0.00 C ATOM 188 CD PRO A 19 -2.410 -12.442 -3.619 1.00 0.00 C ATOM 0 HA PRO A 19 -0.373 -10.206 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.228 -11.218 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.841 -12.143 -6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.728 -12.406 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.493 -13.647 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.335 -12.417 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.809 -13.260 -3.222 1.00 0.00 H new ATOM 196 N GLU A 20 -3.292 -9.114 -4.241 1.00 0.00 N ATOM 197 CA GLU A 20 -4.120 -7.879 -4.355 1.00 0.00 C ATOM 198 C GLU A 20 -3.446 -6.762 -3.565 1.00 0.00 C ATOM 199 O GLU A 20 -3.349 -5.636 -4.012 1.00 0.00 O ATOM 200 CB GLU A 20 -5.530 -8.135 -3.812 1.00 0.00 C ATOM 201 CG GLU A 20 -5.473 -8.378 -2.303 1.00 0.00 C ATOM 202 CD GLU A 20 -6.702 -9.176 -1.867 1.00 0.00 C ATOM 203 OE1 GLU A 20 -7.423 -9.638 -2.737 1.00 0.00 O ATOM 204 OE2 GLU A 20 -6.903 -9.313 -0.671 1.00 0.00 O ATOM 0 H GLU A 20 -3.599 -9.784 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.205 -7.589 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.172 -7.281 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.970 -8.998 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.564 -8.921 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.437 -7.427 -1.772 1.00 0.00 H new ATOM 211 N ILE A 21 -2.945 -7.077 -2.409 1.00 0.00 N ATOM 212 CA ILE A 21 -2.236 -6.058 -1.594 1.00 0.00 C ATOM 213 C ILE A 21 -1.012 -5.628 -2.375 1.00 0.00 C ATOM 214 O ILE A 21 -0.770 -4.459 -2.614 1.00 0.00 O ATOM 215 CB ILE A 21 -1.813 -6.718 -0.281 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.027 -7.431 0.316 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.300 -5.661 0.700 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.238 -6.510 0.235 1.00 0.00 C ATOM 0 H ILE A 21 -2.996 -8.005 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.865 -5.194 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.012 -7.433 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.222 -8.357 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.831 -7.703 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.002 -6.143 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.442 -5.148 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.091 -4.938 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.107 -7.013 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.038 -5.596 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.436 -6.261 -0.807 1.00 0.00 H new ATOM 230 N GLN A 22 -0.256 -6.587 -2.793 1.00 0.00 N ATOM 231 CA GLN A 22 0.958 -6.284 -3.591 1.00 0.00 C ATOM 232 C GLN A 22 0.521 -5.581 -4.880 1.00 0.00 C ATOM 233 O GLN A 22 1.303 -4.923 -5.528 1.00 0.00 O ATOM 234 CB GLN A 22 1.738 -7.585 -3.883 1.00 0.00 C ATOM 235 CG GLN A 22 2.230 -7.646 -5.342 1.00 0.00 C ATOM 236 CD GLN A 22 3.429 -6.706 -5.565 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.119 -6.830 -6.556 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.718 -5.770 -4.696 1.00 0.00 N ATOM 0 H GLN A 22 -0.423 -7.578 -2.618 1.00 0.00 H new ATOM 0 HA GLN A 22 1.629 -5.626 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.592 -7.655 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.099 -8.444 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.515 -8.668 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.418 -7.370 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.145 -5.656 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.516 -5.155 -4.856 1.00 0.00 H new ATOM 247 N GLU A 23 -0.727 -5.705 -5.257 1.00 0.00 N ATOM 248 CA GLU A 23 -1.184 -5.010 -6.492 1.00 0.00 C ATOM 249 C GLU A 23 -1.349 -3.519 -6.188 1.00 0.00 C ATOM 250 O GLU A 23 -1.067 -2.678 -7.011 1.00 0.00 O ATOM 251 CB GLU A 23 -2.520 -5.594 -6.962 1.00 0.00 C ATOM 252 CG GLU A 23 -2.536 -5.665 -8.490 1.00 0.00 C ATOM 253 CD GLU A 23 -1.331 -6.472 -8.975 1.00 0.00 C ATOM 254 OE1 GLU A 23 -1.387 -7.688 -8.899 1.00 0.00 O ATOM 255 OE2 GLU A 23 -0.372 -5.859 -9.415 1.00 0.00 O ATOM 0 H GLU A 23 -1.438 -6.250 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.446 -5.148 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.663 -6.589 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.344 -4.975 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.460 -6.129 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.508 -4.660 -8.912 1.00 0.00 H new ATOM 262 N ILE A 24 -1.776 -3.194 -5.001 1.00 0.00 N ATOM 263 CA ILE A 24 -1.938 -1.760 -4.610 1.00 0.00 C ATOM 264 C ILE A 24 -0.566 -1.104 -4.598 1.00 0.00 C ATOM 265 O ILE A 24 -0.336 -0.085 -5.216 1.00 0.00 O ATOM 266 CB ILE A 24 -2.523 -1.707 -3.202 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.001 -2.087 -3.241 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.378 -0.294 -2.655 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.313 -3.001 -2.057 1.00 0.00 C ATOM 0 H ILE A 24 -2.023 -3.866 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.594 -1.244 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.990 -2.409 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.621 -1.191 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.235 -2.592 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.794 -0.249 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.323 -0.022 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.913 0.403 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.367 -3.277 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.701 -3.901 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.093 -2.478 -1.126 1.00 0.00 H new ATOM 281 N VAL A 25 0.337 -1.702 -3.894 1.00 0.00 N ATOM 282 CA VAL A 25 1.713 -1.174 -3.800 1.00 0.00 C ATOM 283 C VAL A 25 2.335 -1.158 -5.186 1.00 0.00 C ATOM 284 O VAL A 25 2.986 -0.217 -5.592 1.00 0.00 O ATOM 285 CB VAL A 25 2.478 -2.130 -2.928 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.414 -3.488 -3.567 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.927 -1.720 -2.819 1.00 0.00 C ATOM 0 H VAL A 25 0.175 -2.559 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 25 1.727 -0.163 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 25 2.041 -2.134 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.962 -4.204 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.374 -3.802 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.860 -3.444 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.459 -2.428 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.379 -1.713 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.991 -0.722 -2.384 1.00 0.00 H new ATOM 297 N ASP A 26 2.113 -2.206 -5.915 1.00 0.00 N ATOM 298 CA ASP A 26 2.654 -2.295 -7.295 1.00 0.00 C ATOM 299 C ASP A 26 1.845 -1.348 -8.168 1.00 0.00 C ATOM 300 O ASP A 26 2.245 -0.980 -9.254 1.00 0.00 O ATOM 301 CB ASP A 26 2.510 -3.727 -7.815 1.00 0.00 C ATOM 302 CG ASP A 26 3.045 -3.807 -9.246 1.00 0.00 C ATOM 303 OD1 ASP A 26 4.213 -3.512 -9.437 1.00 0.00 O ATOM 304 OD2 ASP A 26 2.279 -4.162 -10.126 1.00 0.00 O ATOM 0 H ASP A 26 1.573 -3.017 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 26 3.710 -2.025 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.058 -4.416 -7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.464 -4.031 -7.789 1.00 0.00 H new ATOM 309 N LYS A 27 0.708 -0.941 -7.678 1.00 0.00 N ATOM 310 CA LYS A 27 -0.144 0.006 -8.454 1.00 0.00 C ATOM 311 C LYS A 27 0.252 1.436 -8.085 1.00 0.00 C ATOM 312 O LYS A 27 -0.145 2.390 -8.724 1.00 0.00 O ATOM 313 CB LYS A 27 -1.625 -0.217 -8.120 1.00 0.00 C ATOM 314 CG LYS A 27 -2.493 0.615 -9.066 1.00 0.00 C ATOM 315 CD LYS A 27 -2.964 -0.267 -10.226 1.00 0.00 C ATOM 316 CE LYS A 27 -4.343 0.198 -10.696 1.00 0.00 C ATOM 317 NZ LYS A 27 -4.945 -0.842 -11.579 1.00 0.00 N ATOM 0 H LYS A 27 0.330 -1.223 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 27 0.003 -0.163 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.875 -1.274 -8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.822 0.065 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.351 1.020 -8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.926 1.464 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.251 -0.214 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.009 -1.309 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.989 0.380 -9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.256 1.142 -11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.883 -0.526 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.331 -0.994 -12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.042 -1.733 -11.051 1.00 0.00 H new ATOM 331 N VAL A 28 1.035 1.587 -7.050 1.00 0.00 N ATOM 332 CA VAL A 28 1.464 2.950 -6.625 1.00 0.00 C ATOM 333 C VAL A 28 2.987 3.086 -6.773 1.00 0.00 C ATOM 334 O VAL A 28 3.537 4.162 -6.645 1.00 0.00 O ATOM 335 CB VAL A 28 1.055 3.182 -5.169 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.471 3.264 -5.077 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.553 2.025 -4.304 1.00 0.00 C ATOM 0 H VAL A 28 1.397 0.823 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 28 0.981 3.696 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 28 1.495 4.114 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.765 3.429 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.829 4.090 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.908 2.331 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.260 2.193 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.115 1.092 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.639 1.964 -4.369 1.00 0.00 H new ATOM 347 N LYS A 29 3.670 2.005 -7.054 1.00 0.00 N ATOM 348 CA LYS A 29 5.150 2.065 -7.226 1.00 0.00 C ATOM 349 C LYS A 29 5.540 3.160 -8.235 1.00 0.00 C ATOM 350 O LYS A 29 6.471 3.899 -7.988 1.00 0.00 O ATOM 351 CB LYS A 29 5.661 0.707 -7.722 1.00 0.00 C ATOM 352 CG LYS A 29 7.101 0.847 -8.227 1.00 0.00 C ATOM 353 CD LYS A 29 7.644 -0.529 -8.625 1.00 0.00 C ATOM 354 CE LYS A 29 7.987 -0.534 -10.116 1.00 0.00 C ATOM 355 NZ LYS A 29 8.865 0.630 -10.430 1.00 0.00 N ATOM 0 H LYS A 29 3.261 1.078 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 29 5.602 2.304 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.618 -0.025 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.020 0.337 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.133 1.522 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.728 1.286 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.531 -0.765 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.904 -1.300 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.490 -1.464 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.074 -0.485 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.454 0.407 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.277 1.462 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.477 0.833 -9.614 1.00 0.00 H new ATOM 369 N PRO A 30 4.837 3.245 -9.347 1.00 0.00 N ATOM 370 CA PRO A 30 5.139 4.260 -10.372 1.00 0.00 C ATOM 371 C PRO A 30 4.704 5.640 -9.885 1.00 0.00 C ATOM 372 O PRO A 30 5.295 6.645 -10.228 1.00 0.00 O ATOM 373 CB PRO A 30 4.347 3.795 -11.597 1.00 0.00 C ATOM 374 CG PRO A 30 3.228 2.871 -11.068 1.00 0.00 C ATOM 375 CD PRO A 30 3.688 2.372 -9.685 1.00 0.00 C ATOM 0 HA PRO A 30 6.201 4.353 -10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.927 4.646 -12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.991 3.263 -12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.284 3.410 -10.991 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.063 2.034 -11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.892 2.458 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.981 1.323 -9.718 1.00 0.00 H new ATOM 383 N GLN A 31 3.700 5.698 -9.055 1.00 0.00 N ATOM 384 CA GLN A 31 3.266 7.013 -8.512 1.00 0.00 C ATOM 385 C GLN A 31 4.203 7.380 -7.357 1.00 0.00 C ATOM 386 O GLN A 31 4.208 8.492 -6.871 1.00 0.00 O ATOM 387 CB GLN A 31 1.829 6.911 -7.997 1.00 0.00 C ATOM 388 CG GLN A 31 0.852 7.104 -9.159 1.00 0.00 C ATOM 389 CD GLN A 31 -0.192 5.985 -9.135 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.650 5.544 -10.171 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.589 5.505 -7.989 1.00 0.00 N ATOM 0 H GLN A 31 3.163 4.894 -8.731 1.00 0.00 H new ATOM 0 HA GLN A 31 3.304 7.776 -9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.667 5.939 -7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.652 7.666 -7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.363 8.075 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.390 7.094 -10.107 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.204 5.876 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.284 4.759 -7.962 1.00 0.00 H new ATOM 400 N LEU A 32 4.995 6.434 -6.918 1.00 0.00 N ATOM 401 CA LEU A 32 5.940 6.690 -5.797 1.00 0.00 C ATOM 402 C LEU A 32 7.307 7.099 -6.355 1.00 0.00 C ATOM 403 O LEU A 32 8.009 7.909 -5.784 1.00 0.00 O ATOM 404 CB LEU A 32 6.089 5.412 -4.983 1.00 0.00 C ATOM 405 CG LEU A 32 4.958 5.350 -3.965 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.652 3.897 -3.648 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.373 6.076 -2.684 1.00 0.00 C ATOM 0 H LEU A 32 5.025 5.487 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 32 5.557 7.493 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.057 4.541 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.054 5.396 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 32 4.071 5.832 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.843 3.846 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.352 3.381 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.541 3.419 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.560 6.029 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.260 5.599 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.595 7.118 -2.912 1.00 0.00 H new ATOM 419 N GLU A 33 7.690 6.533 -7.465 1.00 0.00 N ATOM 420 CA GLU A 33 9.011 6.867 -8.070 1.00 0.00 C ATOM 421 C GLU A 33 9.093 8.365 -8.369 1.00 0.00 C ATOM 422 O GLU A 33 10.081 9.010 -8.080 1.00 0.00 O ATOM 423 CB GLU A 33 9.179 6.084 -9.373 1.00 0.00 C ATOM 424 CG GLU A 33 9.883 4.758 -9.083 1.00 0.00 C ATOM 425 CD GLU A 33 10.098 4.000 -10.394 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.765 4.547 -11.433 1.00 0.00 O ATOM 427 OE2 GLU A 33 10.593 2.887 -10.337 1.00 0.00 O ATOM 0 H GLU A 33 7.141 5.848 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 33 9.801 6.601 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.205 5.900 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.759 6.667 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.840 4.941 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.285 4.158 -8.397 1.00 0.00 H new ATOM 434 N GLU A 34 8.072 8.925 -8.957 1.00 0.00 N ATOM 435 CA GLU A 34 8.114 10.379 -9.281 1.00 0.00 C ATOM 436 C GLU A 34 7.631 11.195 -8.082 1.00 0.00 C ATOM 437 O GLU A 34 8.289 12.117 -7.647 1.00 0.00 O ATOM 438 CB GLU A 34 7.219 10.661 -10.489 1.00 0.00 C ATOM 439 CG GLU A 34 7.588 9.707 -11.628 1.00 0.00 C ATOM 440 CD GLU A 34 7.852 10.511 -12.902 1.00 0.00 C ATOM 441 OE1 GLU A 34 8.562 11.499 -12.817 1.00 0.00 O ATOM 442 OE2 GLU A 34 7.342 10.123 -13.940 1.00 0.00 O ATOM 0 H GLU A 34 7.215 8.442 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 34 9.140 10.663 -9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.171 10.533 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.340 11.695 -10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.473 9.129 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.780 8.994 -11.796 1.00 0.00 H new ATOM 449 N LYS A 35 6.492 10.866 -7.538 1.00 0.00 N ATOM 450 CA LYS A 35 5.996 11.635 -6.364 1.00 0.00 C ATOM 451 C LYS A 35 7.121 11.730 -5.337 1.00 0.00 C ATOM 452 O LYS A 35 7.547 12.803 -4.959 1.00 0.00 O ATOM 453 CB LYS A 35 4.799 10.913 -5.744 1.00 0.00 C ATOM 454 CG LYS A 35 4.224 11.765 -4.613 1.00 0.00 C ATOM 455 CD LYS A 35 2.974 11.087 -4.052 1.00 0.00 C ATOM 456 CE LYS A 35 1.773 11.418 -4.939 1.00 0.00 C ATOM 457 NZ LYS A 35 1.153 12.692 -4.481 1.00 0.00 N ATOM 0 H LYS A 35 5.889 10.106 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 35 5.686 12.633 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.037 10.732 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.105 9.939 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.967 11.893 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.977 12.760 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.121 10.008 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.791 11.425 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.089 11.508 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.043 10.610 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.336 12.917 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.838 12.590 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.851 13.460 -4.543 1.00 0.00 H new ATOM 471 N THR A 36 7.609 10.609 -4.892 1.00 0.00 N ATOM 472 CA THR A 36 8.706 10.605 -3.902 1.00 0.00 C ATOM 473 C THR A 36 9.989 11.117 -4.559 1.00 0.00 C ATOM 474 O THR A 36 10.544 12.107 -4.135 1.00 0.00 O ATOM 475 CB THR A 36 8.919 9.169 -3.435 1.00 0.00 C ATOM 476 OG1 THR A 36 7.669 8.497 -3.389 1.00 0.00 O ATOM 477 CG2 THR A 36 9.544 9.176 -2.052 1.00 0.00 C ATOM 0 H THR A 36 7.287 9.685 -5.179 1.00 0.00 H new ATOM 0 HA THR A 36 8.455 11.248 -3.058 1.00 0.00 H new ATOM 0 HB THR A 36 9.582 8.653 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.653 7.790 -4.067 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.697 8.150 -1.717 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.503 9.693 -2.089 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.881 9.690 -1.356 1.00 0.00 H new ATOM 485 N ASN A 37 10.439 10.423 -5.586 1.00 0.00 N ATOM 486 CA ASN A 37 11.692 10.787 -6.343 1.00 0.00 C ATOM 487 C ASN A 37 12.690 9.633 -6.241 1.00 0.00 C ATOM 488 O ASN A 37 13.872 9.838 -6.052 1.00 0.00 O ATOM 489 CB ASN A 37 12.354 12.064 -5.810 1.00 0.00 C ATOM 490 CG ASN A 37 13.047 11.786 -4.468 1.00 0.00 C ATOM 491 OD1 ASN A 37 13.907 12.539 -4.055 1.00 0.00 O ATOM 492 ND2 ASN A 37 12.711 10.739 -3.763 1.00 0.00 N ATOM 0 H ASN A 37 9.972 9.589 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 37 11.405 10.972 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.081 12.433 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.604 12.845 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.170 10.557 -2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.990 10.104 -4.105 1.00 0.00 H new ATOM 499 N GLU A 38 12.223 8.420 -6.359 1.00 0.00 N ATOM 500 CA GLU A 38 13.146 7.255 -6.263 1.00 0.00 C ATOM 501 C GLU A 38 12.919 6.312 -7.437 1.00 0.00 C ATOM 502 O GLU A 38 12.272 6.642 -8.411 1.00 0.00 O ATOM 503 CB GLU A 38 12.879 6.493 -4.966 1.00 0.00 C ATOM 504 CG GLU A 38 13.102 7.415 -3.771 1.00 0.00 C ATOM 505 CD GLU A 38 14.498 8.036 -3.854 1.00 0.00 C ATOM 506 OE1 GLU A 38 15.410 7.340 -4.270 1.00 0.00 O ATOM 507 OE2 GLU A 38 14.632 9.195 -3.498 1.00 0.00 O ATOM 0 H GLU A 38 11.243 8.186 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 38 14.173 7.620 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.857 6.114 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.539 5.629 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.345 8.199 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.997 6.854 -2.842 1.00 0.00 H new ATOM 514 N THR A 39 13.460 5.135 -7.341 1.00 0.00 N ATOM 515 CA THR A 39 13.304 4.139 -8.433 1.00 0.00 C ATOM 516 C THR A 39 12.816 2.813 -7.849 1.00 0.00 C ATOM 517 O THR A 39 13.068 1.757 -8.393 1.00 0.00 O ATOM 518 CB THR A 39 14.656 3.917 -9.095 1.00 0.00 C ATOM 519 OG1 THR A 39 15.113 5.134 -9.669 1.00 0.00 O ATOM 520 CG2 THR A 39 14.515 2.852 -10.176 1.00 0.00 C ATOM 0 H THR A 39 14.010 4.816 -6.544 1.00 0.00 H new ATOM 0 HA THR A 39 12.582 4.506 -9.163 1.00 0.00 H new ATOM 0 HB THR A 39 15.380 3.584 -8.351 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.984 4.989 -10.093 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.481 2.689 -10.654 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.170 1.921 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.793 3.184 -10.922 1.00 0.00 H new ATOM 528 N TYR A 40 12.140 2.873 -6.735 1.00 0.00 N ATOM 529 CA TYR A 40 11.626 1.627 -6.066 1.00 0.00 C ATOM 530 C TYR A 40 11.348 0.531 -7.101 1.00 0.00 C ATOM 531 O TYR A 40 10.962 0.802 -8.221 1.00 0.00 O ATOM 532 CB TYR A 40 10.318 1.923 -5.325 1.00 0.00 C ATOM 533 CG TYR A 40 10.423 3.215 -4.550 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.467 3.410 -3.638 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.464 4.216 -4.742 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.551 4.609 -2.920 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.547 5.413 -4.025 1.00 0.00 C ATOM 538 CZ TYR A 40 10.590 5.611 -3.114 1.00 0.00 C ATOM 539 OH TYR A 40 10.671 6.794 -2.408 1.00 0.00 O ATOM 0 H TYR A 40 11.915 3.740 -6.248 1.00 0.00 H new ATOM 0 HA TYR A 40 12.390 1.290 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.497 1.987 -6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.086 1.103 -4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.206 2.637 -3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.659 4.063 -5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.356 4.762 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.806 6.185 -4.174 1.00 0.00 H new ATOM 0 HH TYR A 40 11.453 6.770 -1.818 1.00 0.00 H new ATOM 549 N GLY A 43 11.534 -0.706 -6.729 1.00 0.00 N ATOM 550 CA GLY A 43 11.278 -1.819 -7.685 1.00 0.00 C ATOM 551 C GLY A 43 10.150 -2.706 -7.153 1.00 0.00 C ATOM 552 O GLY A 43 9.134 -2.226 -6.689 1.00 0.00 O ATOM 0 H GLY A 43 11.852 -0.994 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.008 -1.418 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.184 -2.409 -7.822 1.00 0.00 H new ATOM 556 N LYS A 44 10.320 -3.997 -7.222 1.00 0.00 N ATOM 557 CA LYS A 44 9.264 -4.924 -6.730 1.00 0.00 C ATOM 558 C LYS A 44 8.910 -4.594 -5.284 1.00 0.00 C ATOM 559 O LYS A 44 9.764 -4.556 -4.420 1.00 0.00 O ATOM 560 CB LYS A 44 9.785 -6.359 -6.785 1.00 0.00 C ATOM 561 CG LYS A 44 8.643 -7.303 -7.172 1.00 0.00 C ATOM 562 CD LYS A 44 9.199 -8.710 -7.402 1.00 0.00 C ATOM 563 CE LYS A 44 9.026 -9.542 -6.130 1.00 0.00 C ATOM 564 NZ LYS A 44 10.009 -10.663 -6.132 1.00 0.00 N ATOM 0 H LYS A 44 11.151 -4.452 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 44 8.380 -4.816 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.595 -6.435 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.195 -6.645 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.890 -7.322 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.150 -6.943 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.680 -9.186 -8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.253 -8.656 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.174 -8.916 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.011 -9.935 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.892 -11.229 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.847 -11.265 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.975 -10.278 -6.165 1.00 0.00 H new ATOM 578 N LEU A 45 7.657 -4.380 -5.003 1.00 0.00 N ATOM 579 CA LEU A 45 7.264 -4.085 -3.612 1.00 0.00 C ATOM 580 C LEU A 45 6.543 -5.315 -3.065 1.00 0.00 C ATOM 581 O LEU A 45 5.337 -5.346 -2.947 1.00 0.00 O ATOM 582 CB LEU A 45 6.367 -2.856 -3.612 1.00 0.00 C ATOM 583 CG LEU A 45 7.067 -1.771 -4.432 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.277 -0.459 -4.357 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.484 -1.576 -3.871 1.00 0.00 C ATOM 0 H LEU A 45 6.894 -4.398 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 45 8.125 -3.871 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.394 -3.093 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.190 -2.511 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 45 7.123 -2.072 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.785 0.306 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.274 -0.615 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.210 -0.134 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.999 -0.805 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.423 -1.272 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.036 -2.513 -3.944 1.00 0.00 H new ATOM 597 N GLU A 46 7.297 -6.343 -2.766 1.00 0.00 N ATOM 598 CA GLU A 46 6.691 -7.616 -2.262 1.00 0.00 C ATOM 599 C GLU A 46 5.822 -7.346 -1.041 1.00 0.00 C ATOM 600 O GLU A 46 6.259 -7.472 0.085 1.00 0.00 O ATOM 601 CB GLU A 46 7.802 -8.599 -1.887 1.00 0.00 C ATOM 602 CG GLU A 46 7.558 -9.937 -2.589 1.00 0.00 C ATOM 603 CD GLU A 46 7.198 -11.003 -1.553 1.00 0.00 C ATOM 604 OE1 GLU A 46 8.106 -11.647 -1.054 1.00 0.00 O ATOM 605 OE2 GLU A 46 6.020 -11.157 -1.275 1.00 0.00 O ATOM 0 H GLU A 46 8.313 -6.356 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 46 6.070 -8.043 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.772 -8.196 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.826 -8.742 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.752 -9.836 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.449 -10.238 -3.140 1.00 0.00 H new ATOM 612 N ALA A 47 4.588 -6.994 -1.248 1.00 0.00 N ATOM 613 CA ALA A 47 3.699 -6.727 -0.092 1.00 0.00 C ATOM 614 C ALA A 47 3.850 -7.837 0.941 1.00 0.00 C ATOM 615 O ALA A 47 3.698 -9.010 0.660 1.00 0.00 O ATOM 616 CB ALA A 47 2.257 -6.641 -0.566 1.00 0.00 C ATOM 0 H ALA A 47 4.158 -6.880 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 47 3.977 -5.779 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.605 -6.445 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.160 -5.833 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.971 -7.584 -1.032 1.00 0.00 H new ATOM 622 N VAL A 48 4.162 -7.448 2.138 1.00 0.00 N ATOM 623 CA VAL A 48 4.351 -8.414 3.249 1.00 0.00 C ATOM 624 C VAL A 48 3.100 -8.405 4.113 1.00 0.00 C ATOM 625 O VAL A 48 2.591 -9.435 4.509 1.00 0.00 O ATOM 626 CB VAL A 48 5.566 -7.950 4.067 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.395 -8.287 5.554 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.825 -8.625 3.532 1.00 0.00 C ATOM 0 H VAL A 48 4.298 -6.472 2.401 1.00 0.00 H new ATOM 0 HA VAL A 48 4.519 -9.425 2.878 1.00 0.00 H new ATOM 0 HB VAL A 48 5.652 -6.868 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.270 -7.947 6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.506 -7.789 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.287 -9.365 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.688 -8.297 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.722 -9.707 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.966 -8.354 2.486 1.00 0.00 H new ATOM 638 N GLN A 49 2.609 -7.243 4.407 1.00 0.00 N ATOM 639 CA GLN A 49 1.388 -7.147 5.248 1.00 0.00 C ATOM 640 C GLN A 49 0.591 -5.934 4.804 1.00 0.00 C ATOM 641 O GLN A 49 1.047 -5.145 4.006 1.00 0.00 O ATOM 642 CB GLN A 49 1.782 -6.991 6.717 1.00 0.00 C ATOM 643 CG GLN A 49 2.906 -5.961 6.840 1.00 0.00 C ATOM 644 CD GLN A 49 3.519 -6.050 8.237 1.00 0.00 C ATOM 645 OE1 GLN A 49 4.392 -6.858 8.479 1.00 0.00 O ATOM 646 NE2 GLN A 49 3.093 -5.249 9.176 1.00 0.00 N ATOM 0 H GLN A 49 2.999 -6.351 4.102 1.00 0.00 H new ATOM 0 HA GLN A 49 0.789 -8.051 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.920 -6.675 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.108 -7.950 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.668 -6.145 6.083 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.517 -4.958 6.664 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.359 -4.570 8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.494 -5.302 10.112 1.00 0.00 H new ATOM 655 N TYR A 50 -0.597 -5.770 5.299 1.00 0.00 N ATOM 656 CA TYR A 50 -1.385 -4.595 4.882 1.00 0.00 C ATOM 657 C TYR A 50 -2.607 -4.417 5.770 1.00 0.00 C ATOM 658 O TYR A 50 -3.293 -5.359 6.116 1.00 0.00 O ATOM 659 CB TYR A 50 -1.834 -4.777 3.461 1.00 0.00 C ATOM 660 CG TYR A 50 -2.880 -5.862 3.380 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.518 -7.196 3.582 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.215 -5.532 3.110 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.486 -8.205 3.511 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.184 -6.540 3.038 1.00 0.00 C ATOM 665 CZ TYR A 50 -4.820 -7.877 3.239 1.00 0.00 C ATOM 666 OH TYR A 50 -5.774 -8.872 3.168 1.00 0.00 O ATOM 0 H TYR A 50 -1.050 -6.393 5.967 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.756 -3.709 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.240 -3.841 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.982 -5.036 2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.490 -7.449 3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.496 -4.500 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.204 -9.236 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.212 -6.286 2.827 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.648 -8.474 2.973 1.00 0.00 H new ATOM 676 N LYS A 51 -2.889 -3.202 6.117 1.00 0.00 N ATOM 677 CA LYS A 51 -4.082 -2.924 6.963 1.00 0.00 C ATOM 678 C LYS A 51 -5.140 -2.205 6.115 1.00 0.00 C ATOM 679 O LYS A 51 -4.879 -1.178 5.518 1.00 0.00 O ATOM 680 CB LYS A 51 -3.677 -2.052 8.154 1.00 0.00 C ATOM 681 CG LYS A 51 -3.255 -2.953 9.319 1.00 0.00 C ATOM 682 CD LYS A 51 -2.019 -2.366 10.004 1.00 0.00 C ATOM 683 CE LYS A 51 -2.144 -2.543 11.519 1.00 0.00 C ATOM 684 NZ LYS A 51 -1.331 -3.714 11.952 1.00 0.00 N ATOM 0 H LYS A 51 -2.345 -2.381 5.852 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.496 -3.859 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.856 -1.392 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.510 -1.416 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.071 -3.043 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.038 -3.957 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.119 -2.863 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.921 -1.309 9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.804 -1.642 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.188 -2.691 11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.049 -3.592 12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.895 -4.583 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.481 -3.786 11.357 1.00 0.00 H new ATOM 698 N THR A 52 -6.328 -2.749 6.045 1.00 0.00 N ATOM 699 CA THR A 52 -7.407 -2.115 5.224 1.00 0.00 C ATOM 700 C THR A 52 -7.982 -0.903 5.956 1.00 0.00 C ATOM 701 O THR A 52 -7.549 -0.543 7.033 1.00 0.00 O ATOM 702 CB THR A 52 -8.527 -3.131 4.986 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.834 -3.792 6.206 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.078 -4.157 3.944 1.00 0.00 C ATOM 0 H THR A 52 -6.599 -3.608 6.523 1.00 0.00 H new ATOM 0 HA THR A 52 -6.984 -1.794 4.272 1.00 0.00 H new ATOM 0 HB THR A 52 -9.414 -2.613 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.552 -4.441 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.877 -4.879 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.847 -3.648 3.008 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.190 -4.676 4.304 1.00 0.00 H new ATOM 712 N GLN A 53 -8.962 -0.273 5.369 1.00 0.00 N ATOM 713 CA GLN A 53 -9.588 0.920 6.004 1.00 0.00 C ATOM 714 C GLN A 53 -10.973 1.128 5.394 1.00 0.00 C ATOM 715 O GLN A 53 -11.213 0.772 4.257 1.00 0.00 O ATOM 716 CB GLN A 53 -8.730 2.149 5.719 1.00 0.00 C ATOM 717 CG GLN A 53 -7.938 2.550 6.962 1.00 0.00 C ATOM 718 CD GLN A 53 -8.880 2.650 8.165 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.085 1.686 8.874 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.465 3.788 8.425 1.00 0.00 N ATOM 0 H GLN A 53 -9.359 -0.537 4.467 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.669 0.770 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.046 1.939 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.364 2.977 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.157 1.816 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.442 3.506 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.293 4.598 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.094 3.867 9.224 1.00 0.00 H new ATOM 729 N VAL A 54 -11.894 1.686 6.130 1.00 0.00 N ATOM 730 CA VAL A 54 -13.251 1.886 5.563 1.00 0.00 C ATOM 731 C VAL A 54 -13.691 3.353 5.684 1.00 0.00 C ATOM 732 O VAL A 54 -13.363 4.046 6.627 1.00 0.00 O ATOM 733 CB VAL A 54 -14.228 0.962 6.290 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.946 1.716 7.402 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.256 0.438 5.285 1.00 0.00 C ATOM 0 H VAL A 54 -11.765 2.008 7.089 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.238 1.641 4.501 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.676 0.132 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.638 1.044 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.215 2.092 8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.500 2.552 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.958 -0.223 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.798 1.277 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.745 -0.114 4.496 1.00 0.00 H new ATOM 745 N VAL A 55 -14.453 3.810 4.728 1.00 0.00 N ATOM 746 CA VAL A 55 -14.962 5.211 4.744 1.00 0.00 C ATOM 747 C VAL A 55 -15.990 5.336 3.614 1.00 0.00 C ATOM 748 O VAL A 55 -17.096 4.842 3.713 1.00 0.00 O ATOM 749 CB VAL A 55 -13.804 6.187 4.510 1.00 0.00 C ATOM 750 CG1 VAL A 55 -13.121 6.507 5.841 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.789 5.550 3.559 1.00 0.00 C ATOM 0 H VAL A 55 -14.750 3.261 3.921 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.417 5.447 5.706 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.190 7.108 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.298 7.201 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.843 6.960 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.735 5.588 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.964 6.242 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.406 4.629 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.273 5.324 2.609 1.00 0.00 H new ATOM 761 N ALA A 56 -15.617 5.944 2.522 1.00 0.00 N ATOM 762 CA ALA A 56 -16.544 6.047 1.366 1.00 0.00 C ATOM 763 C ALA A 56 -16.040 5.055 0.321 1.00 0.00 C ATOM 764 O ALA A 56 -16.179 5.237 -0.871 1.00 0.00 O ATOM 765 CB ALA A 56 -16.499 7.463 0.803 1.00 0.00 C ATOM 0 H ALA A 56 -14.704 6.376 2.382 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.572 5.828 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.179 7.539 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.801 8.171 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.485 7.693 0.477 1.00 0.00 H new ATOM 771 N GLY A 57 -15.419 4.016 0.801 1.00 0.00 N ATOM 772 CA GLY A 57 -14.829 2.971 -0.076 1.00 0.00 C ATOM 773 C GLY A 57 -13.883 2.164 0.799 1.00 0.00 C ATOM 774 O GLY A 57 -14.295 1.517 1.740 1.00 0.00 O ATOM 0 H GLY A 57 -15.293 3.844 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.606 2.334 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.296 3.422 -0.913 1.00 0.00 H new ATOM 778 N THR A 58 -12.618 2.227 0.530 1.00 0.00 N ATOM 779 CA THR A 58 -11.654 1.485 1.400 1.00 0.00 C ATOM 780 C THR A 58 -10.217 1.932 1.131 1.00 0.00 C ATOM 781 O THR A 58 -9.664 1.685 0.079 1.00 0.00 O ATOM 782 CB THR A 58 -11.758 -0.020 1.150 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.112 -0.430 1.273 1.00 0.00 O ATOM 784 CG2 THR A 58 -10.897 -0.757 2.184 1.00 0.00 C ATOM 0 H THR A 58 -12.205 2.750 -0.242 1.00 0.00 H new ATOM 0 HA THR A 58 -11.910 1.705 2.436 1.00 0.00 H new ATOM 0 HB THR A 58 -11.406 -0.254 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.573 0.151 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.964 -1.832 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.859 -0.439 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.255 -0.525 3.187 1.00 0.00 H new ATOM 792 N ASN A 59 -9.591 2.560 2.095 1.00 0.00 N ATOM 793 CA ASN A 59 -8.196 2.983 1.925 1.00 0.00 C ATOM 794 C ASN A 59 -7.318 1.744 2.004 1.00 0.00 C ATOM 795 O ASN A 59 -7.797 0.628 1.956 1.00 0.00 O ATOM 796 CB ASN A 59 -7.844 3.925 3.067 1.00 0.00 C ATOM 797 CG ASN A 59 -8.496 5.289 2.856 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.333 5.904 1.822 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.232 5.794 3.810 1.00 0.00 N ATOM 0 H ASN A 59 -10.005 2.793 2.998 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.048 3.487 0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.177 3.499 4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.762 4.039 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.671 6.706 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.368 5.276 4.678 1.00 0.00 H new ATOM 806 N TYR A 60 -6.047 1.924 2.144 1.00 0.00 N ATOM 807 CA TYR A 60 -5.151 0.740 2.250 1.00 0.00 C ATOM 808 C TYR A 60 -3.882 1.095 3.006 1.00 0.00 C ATOM 809 O TYR A 60 -3.424 2.218 3.001 1.00 0.00 O ATOM 810 CB TYR A 60 -4.735 0.242 0.865 1.00 0.00 C ATOM 811 CG TYR A 60 -5.943 -0.140 0.057 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.569 0.820 -0.732 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.420 -1.455 0.078 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.676 0.478 -1.506 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.533 -1.803 -0.695 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.162 -0.837 -1.488 1.00 0.00 C ATOM 817 OH TYR A 60 -9.260 -1.179 -2.251 1.00 0.00 O ATOM 0 H TYR A 60 -5.584 2.832 2.190 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.708 -0.035 2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.174 1.019 0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.071 -0.617 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.196 1.833 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.931 -2.199 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.159 1.225 -2.119 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.906 -2.816 -0.680 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.464 -2.129 -2.123 1.00 0.00 H new ATOM 827 N TYR A 61 -3.301 0.108 3.611 1.00 0.00 N ATOM 828 CA TYR A 61 -2.024 0.275 4.347 1.00 0.00 C ATOM 829 C TYR A 61 -1.207 -0.953 3.978 1.00 0.00 C ATOM 830 O TYR A 61 -1.717 -2.050 4.002 1.00 0.00 O ATOM 831 CB TYR A 61 -2.287 0.294 5.860 1.00 0.00 C ATOM 832 CG TYR A 61 -3.178 1.456 6.233 1.00 0.00 C ATOM 833 CD1 TYR A 61 -3.053 2.686 5.578 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.125 1.300 7.254 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.876 3.760 5.944 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.947 2.372 7.618 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.822 3.602 6.963 1.00 0.00 C ATOM 838 OH TYR A 61 -5.632 4.660 7.323 1.00 0.00 O ATOM 0 H TYR A 61 -3.671 -0.842 3.627 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.517 1.206 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.755 -0.642 6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.342 0.367 6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.323 2.808 4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.220 0.351 7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.780 4.710 5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.678 2.250 8.404 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.163 5.225 7.972 1.00 0.00 H new ATOM 848 N ILE A 62 0.019 -0.825 3.571 1.00 0.00 N ATOM 849 CA ILE A 62 0.731 -2.063 3.165 1.00 0.00 C ATOM 850 C ILE A 62 2.234 -1.974 3.427 1.00 0.00 C ATOM 851 O ILE A 62 2.920 -1.134 2.890 1.00 0.00 O ATOM 852 CB ILE A 62 0.534 -2.299 1.666 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.954 -2.353 1.284 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.178 -3.634 1.311 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.136 -1.801 -0.135 1.00 0.00 C ATOM 0 H ILE A 62 0.544 0.047 3.502 1.00 0.00 H new ATOM 0 HA ILE A 62 0.316 -2.879 3.756 1.00 0.00 H new ATOM 0 HB ILE A 62 0.989 -1.472 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.317 -3.379 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.544 -1.770 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.052 -3.827 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.241 -3.600 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.703 -4.431 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.191 -1.839 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.788 -0.769 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.558 -2.403 -0.836 1.00 0.00 H new ATOM 867 N LYS A 63 2.768 -2.881 4.191 1.00 0.00 N ATOM 868 CA LYS A 63 4.236 -2.874 4.408 1.00 0.00 C ATOM 869 C LYS A 63 4.824 -3.787 3.346 1.00 0.00 C ATOM 870 O LYS A 63 4.828 -4.993 3.489 1.00 0.00 O ATOM 871 CB LYS A 63 4.561 -3.395 5.807 1.00 0.00 C ATOM 872 CG LYS A 63 6.024 -3.100 6.137 1.00 0.00 C ATOM 873 CD LYS A 63 6.435 -3.896 7.376 1.00 0.00 C ATOM 874 CE LYS A 63 7.044 -5.231 6.944 1.00 0.00 C ATOM 875 NZ LYS A 63 7.309 -6.071 8.147 1.00 0.00 N ATOM 0 H LYS A 63 2.256 -3.621 4.671 1.00 0.00 H new ATOM 0 HA LYS A 63 4.650 -1.868 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.910 -2.923 6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.375 -4.468 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.660 -3.366 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.160 -2.033 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.156 -3.328 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.569 -4.069 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.365 -5.750 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.971 -5.060 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.174 -6.628 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.431 -5.458 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.507 -6.714 8.305 1.00 0.00 H new ATOM 889 N VAL A 64 5.258 -3.216 2.252 1.00 0.00 N ATOM 890 CA VAL A 64 5.777 -4.017 1.135 1.00 0.00 C ATOM 891 C VAL A 64 7.303 -3.996 1.116 1.00 0.00 C ATOM 892 O VAL A 64 7.917 -2.970 1.316 1.00 0.00 O ATOM 893 CB VAL A 64 5.272 -3.366 -0.147 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.766 -3.586 -0.296 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.561 -1.863 -0.104 1.00 0.00 C ATOM 0 H VAL A 64 5.269 -2.208 2.096 1.00 0.00 H new ATOM 0 HA VAL A 64 5.446 -5.051 1.233 1.00 0.00 H new ATOM 0 HB VAL A 64 5.784 -3.818 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.419 -3.116 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.556 -4.655 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.248 -3.144 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.200 -1.397 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.054 -1.419 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.635 -1.701 -0.013 1.00 0.00 H new ATOM 905 N ARG A 65 7.924 -5.103 0.830 1.00 0.00 N ATOM 906 CA ARG A 65 9.405 -5.098 0.752 1.00 0.00 C ATOM 907 C ARG A 65 9.777 -4.281 -0.469 1.00 0.00 C ATOM 908 O ARG A 65 9.285 -4.514 -1.553 1.00 0.00 O ATOM 909 CB ARG A 65 9.956 -6.520 0.610 1.00 0.00 C ATOM 910 CG ARG A 65 9.090 -7.505 1.405 1.00 0.00 C ATOM 911 CD ARG A 65 9.942 -8.183 2.482 1.00 0.00 C ATOM 912 NE ARG A 65 9.903 -9.662 2.296 1.00 0.00 N ATOM 913 CZ ARG A 65 10.467 -10.444 3.177 1.00 0.00 C ATOM 914 NH1 ARG A 65 10.339 -10.190 4.450 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.160 -11.480 2.786 1.00 0.00 N ATOM 0 H ARG A 65 7.475 -6.001 0.649 1.00 0.00 H new ATOM 0 HA ARG A 65 9.829 -4.675 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.975 -6.807 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.985 -6.557 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.253 -6.980 1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.667 -8.255 0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.970 -7.826 2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.569 -7.921 3.472 1.00 0.00 H new ATOM 0 HE ARG A 65 9.437 -10.062 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.799 -9.381 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.779 -10.800 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.262 -11.680 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.600 -12.089 3.476 1.00 0.00 H new ATOM 929 N ALA A 66 10.622 -3.312 -0.284 1.00 0.00 N ATOM 930 CA ALA A 66 11.037 -2.424 -1.403 1.00 0.00 C ATOM 931 C ALA A 66 12.166 -3.077 -2.180 1.00 0.00 C ATOM 932 O ALA A 66 13.152 -2.457 -2.523 1.00 0.00 O ATOM 933 CB ALA A 66 11.523 -1.102 -0.828 1.00 0.00 C ATOM 0 H ALA A 66 11.053 -3.092 0.614 1.00 0.00 H new ATOM 0 HA ALA A 66 10.192 -2.254 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.830 -0.443 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.717 -0.632 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.371 -1.282 -0.167 1.00 0.00 H new ATOM 939 N GLY A 67 12.016 -4.325 -2.458 1.00 0.00 N ATOM 940 CA GLY A 67 13.063 -5.055 -3.225 1.00 0.00 C ATOM 941 C GLY A 67 13.955 -5.859 -2.274 1.00 0.00 C ATOM 942 O GLY A 67 13.493 -6.705 -1.535 1.00 0.00 O ATOM 0 H GLY A 67 11.208 -4.886 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.595 -5.723 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.668 -4.347 -3.791 1.00 0.00 H new ATOM 946 N ASP A 68 15.238 -5.609 -2.312 1.00 0.00 N ATOM 947 CA ASP A 68 16.191 -6.357 -1.446 1.00 0.00 C ATOM 948 C ASP A 68 15.647 -6.511 -0.018 1.00 0.00 C ATOM 949 O ASP A 68 14.822 -7.362 0.247 1.00 0.00 O ATOM 950 CB ASP A 68 17.533 -5.620 -1.416 1.00 0.00 C ATOM 951 CG ASP A 68 18.522 -6.390 -0.537 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.566 -6.121 0.653 1.00 0.00 O ATOM 953 OD2 ASP A 68 19.222 -7.236 -1.068 1.00 0.00 O ATOM 0 H ASP A 68 15.669 -4.909 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 68 16.324 -7.356 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.929 -5.523 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.396 -4.610 -1.029 1.00 0.00 H new ATOM 958 N ASN A 92 16.114 -5.717 0.914 1.00 0.00 N ATOM 959 CA ASN A 92 15.627 -5.861 2.316 1.00 0.00 C ATOM 960 C ASN A 92 14.969 -4.563 2.786 1.00 0.00 C ATOM 961 O ASN A 92 14.427 -4.494 3.872 1.00 0.00 O ATOM 962 CB ASN A 92 16.808 -6.189 3.233 1.00 0.00 C ATOM 963 CG ASN A 92 16.898 -7.704 3.425 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.706 -8.360 2.800 1.00 0.00 O ATOM 965 ND2 ASN A 92 16.097 -8.291 4.271 1.00 0.00 N ATOM 0 H ASN A 92 16.805 -4.982 0.764 1.00 0.00 H new ATOM 0 HA ASN A 92 14.892 -6.665 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.734 -5.811 2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.682 -5.696 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 92 16.150 -9.301 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.418 -7.740 4.796 1.00 0.00 H new ATOM 972 N LYS A 93 14.997 -3.536 1.985 1.00 0.00 N ATOM 973 CA LYS A 93 14.358 -2.260 2.408 1.00 0.00 C ATOM 974 C LYS A 93 12.844 -2.457 2.431 1.00 0.00 C ATOM 975 O LYS A 93 12.349 -3.524 2.126 1.00 0.00 O ATOM 976 CB LYS A 93 14.724 -1.145 1.424 1.00 0.00 C ATOM 977 CG LYS A 93 16.233 -0.901 1.474 1.00 0.00 C ATOM 978 CD LYS A 93 16.525 0.589 1.274 1.00 0.00 C ATOM 979 CE LYS A 93 17.695 1.003 2.171 1.00 0.00 C ATOM 980 NZ LYS A 93 17.968 2.458 1.999 1.00 0.00 N ATOM 0 H LYS A 93 15.431 -3.524 1.062 1.00 0.00 H new ATOM 0 HA LYS A 93 14.710 -1.979 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.422 -1.422 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.188 -0.230 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.633 -1.234 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.731 -1.486 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.766 0.787 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.641 1.180 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.461 0.788 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.583 0.424 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.763 2.737 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.210 2.651 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.122 3.003 2.262 1.00 0.00 H new ATOM 994 N TYR A 94 12.100 -1.451 2.795 1.00 0.00 N ATOM 995 CA TYR A 94 10.622 -1.607 2.836 1.00 0.00 C ATOM 996 C TYR A 94 9.951 -0.293 2.464 1.00 0.00 C ATOM 997 O TYR A 94 10.583 0.743 2.396 1.00 0.00 O ATOM 998 CB TYR A 94 10.189 -2.017 4.242 1.00 0.00 C ATOM 999 CG TYR A 94 10.413 -3.495 4.409 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.711 -3.982 4.576 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.329 -4.378 4.386 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.931 -5.354 4.724 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.546 -5.752 4.535 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.849 -6.241 4.704 1.00 0.00 C ATOM 1005 OH TYR A 94 11.065 -7.596 4.851 1.00 0.00 O ATOM 0 H TYR A 94 12.450 -0.532 3.065 1.00 0.00 H new ATOM 0 HA TYR A 94 10.326 -2.376 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.758 -1.463 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.138 -1.775 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.546 -3.297 4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.326 -4.000 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.935 -5.729 4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.710 -6.436 4.520 1.00 0.00 H new ATOM 0 HH TYR A 94 10.725 -7.889 5.722 1.00 0.00 H new ATOM 1015 N MET A 95 8.673 -0.327 2.226 1.00 0.00 N ATOM 1016 CA MET A 95 7.958 0.919 1.859 1.00 0.00 C ATOM 1017 C MET A 95 6.483 0.784 2.236 1.00 0.00 C ATOM 1018 O MET A 95 5.763 -0.034 1.691 1.00 0.00 O ATOM 1019 CB MET A 95 8.081 1.156 0.350 1.00 0.00 C ATOM 1020 CG MET A 95 9.242 2.116 0.070 1.00 0.00 C ATOM 1021 SD MET A 95 9.713 2.000 -1.674 1.00 0.00 S ATOM 1022 CE MET A 95 8.172 2.644 -2.370 1.00 0.00 C ATOM 0 H MET A 95 8.093 -1.165 2.270 1.00 0.00 H new ATOM 0 HA MET A 95 8.396 1.762 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.247 0.209 -0.164 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.151 1.571 -0.039 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.949 3.138 0.312 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.093 1.870 0.705 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.064 2.297 -3.398 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.329 2.290 -1.777 1.00 0.00 H new ATOM 0 HE3 MET A 95 8.194 3.734 -2.355 1.00 0.00 H new ATOM 1032 N HIS A 96 6.023 1.584 3.155 1.00 0.00 N ATOM 1033 CA HIS A 96 4.591 1.514 3.544 1.00 0.00 C ATOM 1034 C HIS A 96 3.784 2.137 2.414 1.00 0.00 C ATOM 1035 O HIS A 96 4.164 3.152 1.866 1.00 0.00 O ATOM 1036 CB HIS A 96 4.362 2.313 4.823 1.00 0.00 C ATOM 1037 CG HIS A 96 4.326 1.388 6.001 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.531 1.831 7.295 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.128 0.038 6.093 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.453 0.765 8.105 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.217 -0.360 7.424 1.00 0.00 N ATOM 0 H HIS A 96 6.576 2.282 3.652 1.00 0.00 H new ATOM 0 HA HIS A 96 4.292 0.480 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.157 3.048 4.951 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.425 2.866 4.754 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.932 -0.620 5.259 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.567 0.810 9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.123 -1.304 7.798 1.00 0.00 H new ATOM 1049 N LEU A 97 2.688 1.548 2.047 1.00 0.00 N ATOM 1050 CA LEU A 97 1.899 2.131 0.936 1.00 0.00 C ATOM 1051 C LEU A 97 0.463 2.379 1.375 1.00 0.00 C ATOM 1052 O LEU A 97 -0.243 1.481 1.789 1.00 0.00 O ATOM 1053 CB LEU A 97 1.902 1.170 -0.256 1.00 0.00 C ATOM 1054 CG LEU A 97 2.636 1.809 -1.437 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.152 3.241 -1.632 1.00 0.00 C ATOM 1056 CD2 LEU A 97 4.141 1.808 -1.161 1.00 0.00 C ATOM 0 H LEU A 97 2.307 0.698 2.462 1.00 0.00 H new ATOM 0 HA LEU A 97 2.352 3.080 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.387 0.234 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.878 0.927 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 97 2.431 1.237 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.678 3.691 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.081 3.239 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.351 3.818 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.665 2.263 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.345 2.378 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.486 0.782 -1.030 1.00 0.00 H new ATOM 1068 N LYS A 98 0.024 3.596 1.258 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.370 3.924 1.631 1.00 0.00 C ATOM 1070 C LYS A 98 -2.142 4.201 0.337 1.00 0.00 C ATOM 1071 O LYS A 98 -1.766 5.051 -0.436 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.385 5.169 2.522 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.546 5.076 3.510 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.237 6.436 3.621 1.00 0.00 C ATOM 1075 CE LYS A 98 -2.309 7.425 4.328 1.00 0.00 C ATOM 1076 NZ LYS A 98 -1.968 8.539 3.399 1.00 0.00 N ATOM 0 H LYS A 98 0.577 4.382 0.917 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.827 3.100 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.441 5.255 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.485 6.066 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.259 4.321 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.180 4.762 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.493 6.807 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.170 6.337 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.793 7.818 5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.401 6.918 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.043 8.938 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.927 8.178 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.695 9.280 3.464 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.191 3.478 0.068 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.932 3.713 -1.199 1.00 0.00 C ATOM 1092 C VAL A 99 -5.408 3.978 -0.885 1.00 0.00 C ATOM 1093 O VAL A 99 -5.879 3.692 0.198 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.808 2.445 -2.066 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.004 2.323 -3.006 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.541 2.504 -2.914 1.00 0.00 C ATOM 0 H VAL A 99 -3.565 2.740 0.665 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.522 4.574 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.771 1.586 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.901 1.422 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.922 2.264 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.045 3.195 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.467 1.602 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.579 3.377 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.670 2.575 -2.262 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.160 4.474 -1.839 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.612 4.685 -1.580 1.00 0.00 C ATOM 1108 C PHE A 100 -8.401 3.950 -2.661 1.00 0.00 C ATOM 1109 O PHE A 100 -8.054 3.997 -3.831 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.964 6.174 -1.605 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.400 6.362 -1.184 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.945 5.579 -0.160 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.188 7.324 -1.826 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.280 5.758 0.223 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.522 7.505 -1.443 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.069 6.722 -0.419 1.00 0.00 C ATOM 0 H PHE A 100 -5.835 4.737 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.863 4.300 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.303 6.725 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.812 6.577 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.336 4.837 0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.767 7.927 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.701 5.154 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.130 8.249 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.099 6.861 -0.124 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.449 3.260 -2.283 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.253 2.515 -3.293 1.00 0.00 C ATOM 1128 C LYS A 101 -11.535 3.265 -3.585 1.00 0.00 C ATOM 1129 O LYS A 101 -12.360 3.487 -2.722 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.638 1.141 -2.774 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.721 0.157 -3.943 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.792 -0.895 -3.643 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.740 -1.014 -4.835 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.932 -1.816 -4.441 1.00 0.00 N ATOM 0 H LYS A 101 -9.779 3.182 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.643 2.417 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.903 0.796 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.597 1.191 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.964 0.688 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.755 -0.324 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.324 -1.858 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.349 -0.617 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.049 -0.023 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.230 -1.488 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.579 -1.898 -5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.629 -2.765 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.422 -1.346 -3.653 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.335 2.682 -8.235 1.00 0.00 N ATOM 1258 CA LEU A 108 -6.927 3.050 -6.854 1.00 0.00 C ATOM 1259 C LEU A 108 -5.976 4.216 -6.908 1.00 0.00 C ATOM 1260 O LEU A 108 -5.647 4.736 -7.955 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.231 1.870 -6.184 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.280 0.969 -5.546 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.343 0.625 -6.585 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.608 -0.312 -5.050 1.00 0.00 C ATOM 0 HA LEU A 108 -7.814 3.319 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.650 1.310 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.531 2.226 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.748 1.480 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.097 -0.020 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.815 1.541 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.878 0.108 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.355 -0.961 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.145 -0.829 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.845 -0.061 -4.313 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.570 4.649 -5.771 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.670 5.820 -5.709 1.00 0.00 C ATOM 1278 C VAL A 109 -3.590 5.613 -4.660 1.00 0.00 C ATOM 1279 O VAL A 109 -3.716 4.799 -3.771 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.519 6.992 -5.284 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.099 6.655 -3.933 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.673 8.263 -5.184 1.00 0.00 C ATOM 0 H VAL A 109 -5.821 4.244 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.191 5.977 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.306 7.175 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.722 7.480 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.704 5.752 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.290 6.489 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.304 9.097 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.881 8.116 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.230 8.483 -6.155 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.545 6.380 -4.739 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.474 6.296 -3.760 1.00 0.00 C ATOM 1294 C LEU A 110 -1.709 7.438 -2.769 1.00 0.00 C ATOM 1295 O LEU A 110 -1.246 8.546 -2.952 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.175 6.487 -4.514 1.00 0.00 C ATOM 1297 CG LEU A 110 0.909 6.813 -3.533 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.105 5.606 -2.626 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.182 7.126 -4.305 1.00 0.00 C ATOM 0 H LEU A 110 -2.400 7.077 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.441 5.347 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.077 5.582 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.277 7.290 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 110 0.649 7.678 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.891 5.819 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.175 5.391 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.390 4.742 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.982 7.366 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.469 6.259 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.008 7.977 -4.963 1.00 0.00 H new ATOM 1311 N THR A 111 -2.482 7.188 -1.755 1.00 0.00 N ATOM 1312 CA THR A 111 -2.817 8.268 -0.780 1.00 0.00 C ATOM 1313 C THR A 111 -1.615 8.638 0.097 1.00 0.00 C ATOM 1314 O THR A 111 -1.494 9.762 0.540 1.00 0.00 O ATOM 1315 CB THR A 111 -3.976 7.798 0.099 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.726 6.470 0.540 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.268 7.835 -0.717 1.00 0.00 C ATOM 0 H THR A 111 -2.900 6.280 -1.555 1.00 0.00 H new ATOM 0 HA THR A 111 -3.100 9.160 -1.338 1.00 0.00 H new ATOM 0 HB THR A 111 -4.072 8.452 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.536 6.105 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.100 7.501 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.455 8.854 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.172 7.177 -1.580 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.731 7.721 0.362 1.00 0.00 N ATOM 1326 CA GLY A 112 0.444 8.063 1.218 1.00 0.00 C ATOM 1327 C GLY A 112 1.469 6.934 1.166 1.00 0.00 C ATOM 1328 O GLY A 112 1.433 6.098 0.289 1.00 0.00 O ATOM 0 H GLY A 112 -0.766 6.758 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.897 8.993 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.121 8.226 2.246 1.00 0.00 H new ATOM 1332 N TYR A 113 2.389 6.907 2.097 1.00 0.00 N ATOM 1333 CA TYR A 113 3.414 5.846 2.096 1.00 0.00 C ATOM 1334 C TYR A 113 4.545 6.216 3.055 1.00 0.00 C ATOM 1335 O TYR A 113 5.046 7.322 3.037 1.00 0.00 O ATOM 1336 CB TYR A 113 4.008 5.729 0.703 1.00 0.00 C ATOM 1337 CG TYR A 113 4.366 7.105 0.191 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.581 7.692 0.563 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.487 7.794 -0.653 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.918 8.966 0.093 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.824 9.070 -1.123 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.039 9.656 -0.750 1.00 0.00 C ATOM 1343 OH TYR A 113 5.370 10.912 -1.214 1.00 0.00 O ATOM 0 H TYR A 113 2.466 7.583 2.857 1.00 0.00 H new ATOM 0 HA TYR A 113 2.951 4.908 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.895 5.096 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.294 5.253 0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.259 7.161 1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.550 7.342 -0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.856 9.417 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.146 9.602 -1.774 1.00 0.00 H new ATOM 0 HH TYR A 113 6.344 10.986 -1.290 1.00 0.00 H new ATOM 1353 N GLN A 114 4.997 5.291 3.848 1.00 0.00 N ATOM 1354 CA GLN A 114 6.145 5.601 4.741 1.00 0.00 C ATOM 1355 C GLN A 114 7.387 5.122 4.008 1.00 0.00 C ATOM 1356 O GLN A 114 7.725 3.957 4.039 1.00 0.00 O ATOM 1357 CB GLN A 114 6.040 4.880 6.090 1.00 0.00 C ATOM 1358 CG GLN A 114 4.605 4.932 6.611 1.00 0.00 C ATOM 1359 CD GLN A 114 4.128 6.386 6.614 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.164 7.051 5.600 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.682 6.912 7.723 1.00 0.00 N ATOM 0 H GLN A 114 4.627 4.343 3.918 1.00 0.00 H new ATOM 0 HA GLN A 114 6.170 6.669 4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.357 3.843 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.713 5.344 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.954 4.324 5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.555 4.517 7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.651 6.354 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.364 7.881 7.736 1.00 0.00 H new ATOM 1370 N VAL A 115 8.046 5.992 3.308 1.00 0.00 N ATOM 1371 CA VAL A 115 9.224 5.563 2.538 1.00 0.00 C ATOM 1372 C VAL A 115 10.351 5.148 3.472 1.00 0.00 C ATOM 1373 O VAL A 115 10.387 5.505 4.634 1.00 0.00 O ATOM 1374 CB VAL A 115 9.671 6.710 1.659 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.362 7.757 2.513 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.632 6.188 0.609 1.00 0.00 C ATOM 0 H VAL A 115 7.815 6.983 3.239 1.00 0.00 H new ATOM 0 HA VAL A 115 8.963 4.702 1.922 1.00 0.00 H new ATOM 0 HB VAL A 115 8.808 7.159 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.685 8.585 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.668 8.126 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.229 7.313 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.957 7.011 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.499 5.743 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.132 5.434 0.001 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.268 4.393 2.956 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.412 3.930 3.785 1.00 0.00 C ATOM 1388 C ASP A 115A 11.920 3.481 5.169 1.00 0.00 C ATOM 1389 O ASP A 115A 12.652 3.544 6.137 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.411 5.078 3.947 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.801 4.513 4.246 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 15.005 3.335 4.002 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.638 5.268 4.713 1.00 0.00 O ATOM 0 H ASP A 115A 11.278 4.072 1.988 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.892 3.085 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.440 5.679 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.094 5.737 4.755 1.00 0.00 H new ATOM 1398 N LYS A 116 10.698 3.015 5.282 1.00 0.00 N ATOM 1399 CA LYS A 116 10.211 2.560 6.607 1.00 0.00 C ATOM 1400 C LYS A 116 10.714 1.127 6.825 1.00 0.00 C ATOM 1401 O LYS A 116 11.108 0.459 5.890 1.00 0.00 O ATOM 1402 CB LYS A 116 8.674 2.620 6.638 1.00 0.00 C ATOM 1403 CG LYS A 116 8.220 3.775 7.538 1.00 0.00 C ATOM 1404 CD LYS A 116 8.948 3.722 8.884 1.00 0.00 C ATOM 1405 CE LYS A 116 9.960 4.867 8.970 1.00 0.00 C ATOM 1406 NZ LYS A 116 9.742 5.621 10.237 1.00 0.00 N ATOM 0 H LYS A 116 10.028 2.934 4.517 1.00 0.00 H new ATOM 0 HA LYS A 116 10.585 3.202 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.285 2.758 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.271 1.677 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.420 4.727 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.143 3.718 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.229 3.797 9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.457 2.765 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.976 4.473 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.848 5.532 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.428 6.400 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.777 6.008 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.869 4.982 11.048 1.00 0.00 H new ATOM 1420 N ASN A 117 10.741 0.654 8.042 1.00 0.00 N ATOM 1421 CA ASN A 117 11.264 -0.728 8.280 1.00 0.00 C ATOM 1422 C ASN A 117 10.114 -1.724 8.458 1.00 0.00 C ATOM 1423 O ASN A 117 8.962 -1.418 8.226 1.00 0.00 O ATOM 1424 CB ASN A 117 12.162 -0.756 9.527 1.00 0.00 C ATOM 1425 CG ASN A 117 11.871 0.451 10.423 1.00 0.00 C ATOM 1426 OD1 ASN A 117 10.838 0.516 11.057 1.00 0.00 O ATOM 1427 ND2 ASN A 117 12.745 1.417 10.497 1.00 0.00 N ATOM 0 H ASN A 117 10.429 1.155 8.874 1.00 0.00 H new ATOM 0 HA ASN A 117 11.850 -1.017 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.994 -1.678 10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.210 -0.750 9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 117 12.560 2.228 11.088 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.613 1.362 9.964 1.00 0.00 H new ATOM 1434 N LYS A 118 10.439 -2.926 8.853 1.00 0.00 N ATOM 1435 CA LYS A 118 9.418 -3.972 9.037 1.00 0.00 C ATOM 1436 C LYS A 118 8.514 -3.641 10.228 1.00 0.00 C ATOM 1437 O LYS A 118 7.348 -3.340 10.071 1.00 0.00 O ATOM 1438 CB LYS A 118 10.151 -5.281 9.304 1.00 0.00 C ATOM 1439 CG LYS A 118 11.245 -5.494 8.252 1.00 0.00 C ATOM 1440 CD LYS A 118 12.417 -6.250 8.883 1.00 0.00 C ATOM 1441 CE LYS A 118 13.699 -5.952 8.105 1.00 0.00 C ATOM 1442 NZ LYS A 118 14.745 -6.948 8.474 1.00 0.00 N ATOM 0 H LYS A 118 11.393 -3.223 9.058 1.00 0.00 H new ATOM 0 HA LYS A 118 8.791 -4.044 8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 118 10.592 -5.263 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 118 9.447 -6.113 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 118 10.848 -6.056 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 118 11.584 -4.533 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 118 12.535 -5.953 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.217 -7.321 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.505 -5.992 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.047 -4.943 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 15.618 -6.747 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 14.937 -6.888 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 14.411 -7.905 8.240 1.00 0.00 H new ATOM 1456 N ASP A 119 9.042 -3.713 11.419 1.00 0.00 N ATOM 1457 CA ASP A 119 8.230 -3.427 12.627 1.00 0.00 C ATOM 1458 C ASP A 119 7.314 -2.224 12.379 1.00 0.00 C ATOM 1459 O ASP A 119 6.271 -2.095 12.989 1.00 0.00 O ATOM 1460 CB ASP A 119 9.145 -3.126 13.824 1.00 0.00 C ATOM 1461 CG ASP A 119 10.630 -3.251 13.459 1.00 0.00 C ATOM 1462 OD1 ASP A 119 11.093 -2.450 12.663 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.276 -4.143 13.985 1.00 0.00 O ATOM 0 H ASP A 119 10.014 -3.961 11.605 1.00 0.00 H new ATOM 0 HA ASP A 119 7.623 -4.305 12.847 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.945 -2.118 14.189 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.913 -3.812 14.639 1.00 0.00 H new ATOM 1468 N ASP A 120 7.694 -1.338 11.502 1.00 0.00 N ATOM 1469 CA ASP A 120 6.839 -0.144 11.239 1.00 0.00 C ATOM 1470 C ASP A 120 5.384 -0.555 11.041 1.00 0.00 C ATOM 1471 O ASP A 120 5.023 -1.128 10.030 1.00 0.00 O ATOM 1472 CB ASP A 120 7.306 0.570 9.975 1.00 0.00 C ATOM 1473 CG ASP A 120 6.815 2.016 10.010 1.00 0.00 C ATOM 1474 OD1 ASP A 120 7.069 2.682 11.001 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.191 2.432 9.050 1.00 0.00 O ATOM 0 H ASP A 120 8.555 -1.387 10.957 1.00 0.00 H new ATOM 0 HA ASP A 120 6.921 0.519 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.394 0.543 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.919 0.062 9.091 1.00 0.00 H new ATOM 1480 N GLU A 121 4.537 -0.232 11.974 1.00 0.00 N ATOM 1481 CA GLU A 121 3.099 -0.567 11.813 1.00 0.00 C ATOM 1482 C GLU A 121 2.454 0.547 10.987 1.00 0.00 C ATOM 1483 O GLU A 121 2.726 1.712 11.194 1.00 0.00 O ATOM 1484 CB GLU A 121 2.431 -0.648 13.189 1.00 0.00 C ATOM 1485 CG GLU A 121 1.071 -1.337 13.060 1.00 0.00 C ATOM 1486 CD GLU A 121 0.416 -1.442 14.439 1.00 0.00 C ATOM 1487 OE1 GLU A 121 0.989 -0.927 15.385 1.00 0.00 O ATOM 1488 OE2 GLU A 121 -0.645 -2.037 14.527 1.00 0.00 O ATOM 0 H GLU A 121 4.778 0.249 12.840 1.00 0.00 H new ATOM 0 HA GLU A 121 2.981 -1.529 11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.066 -1.201 13.881 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.305 0.353 13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.429 -0.773 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.195 -2.330 12.628 1.00 0.00 H new ATOM 1495 N LEU A 122 1.620 0.212 10.044 1.00 0.00 N ATOM 1496 CA LEU A 122 0.986 1.277 9.217 1.00 0.00 C ATOM 1497 C LEU A 122 0.048 2.086 10.098 1.00 0.00 C ATOM 1498 O LEU A 122 -0.100 3.280 9.938 1.00 0.00 O ATOM 1499 CB LEU A 122 0.248 0.632 8.057 1.00 0.00 C ATOM 1500 CG LEU A 122 1.260 -0.244 7.342 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.017 -1.700 7.690 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.172 -0.055 5.835 1.00 0.00 C ATOM 0 H LEU A 122 1.351 -0.744 9.811 1.00 0.00 H new ATOM 0 HA LEU A 122 1.738 1.951 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.595 0.040 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.155 1.389 7.384 1.00 0.00 H new ATOM 0 HG LEU A 122 2.258 0.048 7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.746 -2.324 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.118 -1.839 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.012 -1.985 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.907 -0.693 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.173 -0.323 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.373 0.987 5.587 1.00 0.00 H new ATOM 1514 N THR A 123 -0.545 1.454 11.063 1.00 0.00 N ATOM 1515 CA THR A 123 -1.424 2.200 11.998 1.00 0.00 C ATOM 1516 C THR A 123 -2.350 3.143 11.226 1.00 0.00 C ATOM 1517 O THR A 123 -2.486 3.069 10.022 1.00 0.00 O ATOM 1518 CB THR A 123 -0.539 3.019 12.967 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.798 4.409 12.813 1.00 0.00 O ATOM 1520 CG2 THR A 123 0.943 2.762 12.672 1.00 0.00 C ATOM 0 H THR A 123 -0.460 0.454 11.246 1.00 0.00 H new ATOM 0 HA THR A 123 -2.039 1.494 12.556 1.00 0.00 H new ATOM 0 HB THR A 123 -0.773 2.711 13.986 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.234 4.917 13.432 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.557 3.343 13.360 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.161 1.702 12.799 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.167 3.058 11.647 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.977 4.033 11.936 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.913 5.019 11.308 1.00 0.00 C ATOM 1530 C GLY A 124 -3.320 5.588 10.020 1.00 0.00 C ATOM 1531 O GLY A 124 -4.029 6.088 9.170 1.00 0.00 O ATOM 0 H GLY A 124 -2.882 4.126 12.947 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.866 4.536 11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.118 5.829 12.008 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.033 5.523 9.869 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.402 6.069 8.634 1.00 0.00 C ATOM 1537 C PHE A 125 -1.889 5.263 7.424 1.00 0.00 C ATOM 1538 O PHE A 125 -1.700 4.058 7.423 1.00 0.00 O ATOM 1539 CB PHE A 125 0.131 5.994 8.772 1.00 0.00 C ATOM 1540 CG PHE A 125 0.778 5.617 7.455 1.00 0.00 C ATOM 1541 CD1 PHE A 125 1.086 6.607 6.515 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.068 4.274 7.178 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.682 6.255 5.298 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.663 3.923 5.962 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.970 4.917 5.022 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.436 5.869 6.518 1.00 0.00 O ATOM 0 H PHE A 125 -1.386 5.116 10.545 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.683 7.112 8.491 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.517 6.956 9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.395 5.261 9.534 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.864 7.642 6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.832 3.510 7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.919 7.019 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.886 2.888 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.430 4.647 4.083 1.00 0.00 H new