USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 106 ASN : amide:sc= -1.59 K(o=-1.7,f=-3) USER MOD Set 1.2: A 108 SER OG : rot 106:sc= -0.0968 USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= -2.9! C(o=-2.3!,f=-1!) USER MOD Set 2.2: A 93 SER OG : rot -63:sc= 0.471 USER MOD Set 2.3: A 98 SER OG : rot -0:sc= 1.42 USER MOD Set 3.1: A 31 SER OG : rot 150:sc= 0.481 USER MOD Set 3.2: A 104 SER OG : rot 126:sc= 1.4 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -15.1! C(o=-24!,f=-15!) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -4.4! C(o=-5.5!,f=-4.4!) USER MOD Single : A 41 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.76! C(o=-2.4!,f=-1.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 74:sc= -1.9 USER MOD Single : A 66 ASN : amide:sc= -0.584 K(o=-0.58,f=-5.2!) USER MOD Single : A 68 THR OG1 : rot 88:sc= -2.6! USER MOD Single : A 71 THR OG1 : rot -170:sc= 0.977 USER MOD Single : A 80 SER OG : rot 170:sc= 0.49! USER MOD Single : A 85 SER OG : rot -91:sc= 0.85 USER MOD Single : A 88 TYR OH : rot -36:sc= -0.678 USER MOD Single : A 92 THR OG1 : rot -1:sc= -1.36! USER MOD Single : A 94 SER OG : rot 160:sc= -3.64! USER MOD Single : A 96 SER OG : rot -5:sc= 0.882 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 163:sc= -2.18! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 14 -6.839 19.874 -11.027 1.00 0.00 N ATOM 2 CA PRO A 14 -7.166 20.232 -9.627 1.00 0.00 C ATOM 3 C PRO A 14 -6.307 19.425 -8.650 1.00 0.00 C ATOM 4 O PRO A 14 -5.574 19.982 -7.855 1.00 0.00 O ATOM 5 CB PRO A 14 -8.654 19.898 -9.467 1.00 0.00 C ATOM 6 CG PRO A 14 -9.200 19.520 -10.876 1.00 0.00 C ATOM 7 CD PRO A 14 -8.002 19.454 -11.844 1.00 0.00 C ATOM 0 HA PRO A 14 -6.965 21.282 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.789 19.072 -8.769 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.197 20.751 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.716 18.560 -10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.925 20.260 -11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.866 18.447 -12.239 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.146 20.115 -12.699 1.00 0.00 H new ATOM 15 N THR A 15 -6.416 18.127 -8.738 1.00 0.00 N ATOM 16 CA THR A 15 -5.615 17.251 -7.841 1.00 0.00 C ATOM 17 C THR A 15 -4.830 16.289 -8.728 1.00 0.00 C ATOM 18 O THR A 15 -4.905 16.359 -9.939 1.00 0.00 O ATOM 19 CB THR A 15 -6.577 16.488 -6.908 1.00 0.00 C ATOM 20 OG1 THR A 15 -5.866 16.355 -5.684 1.00 0.00 O ATOM 21 CG2 THR A 15 -6.812 15.044 -7.371 1.00 0.00 C ATOM 0 H THR A 15 -7.026 17.637 -9.393 1.00 0.00 H new ATOM 0 HA THR A 15 -4.924 17.824 -7.223 1.00 0.00 H new ATOM 0 HB THR A 15 -7.529 17.017 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.421 15.876 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.496 14.548 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.244 15.049 -8.372 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.863 14.508 -7.388 1.00 0.00 H new ATOM 29 N LEU A 16 -4.093 15.409 -8.113 1.00 0.00 N ATOM 30 CA LEU A 16 -3.300 14.442 -8.912 1.00 0.00 C ATOM 31 C LEU A 16 -3.890 13.041 -8.761 1.00 0.00 C ATOM 32 O LEU A 16 -3.883 12.452 -7.694 1.00 0.00 O ATOM 33 CB LEU A 16 -1.869 14.462 -8.398 1.00 0.00 C ATOM 34 CG LEU A 16 -1.148 15.702 -8.914 1.00 0.00 C ATOM 35 CD1 LEU A 16 -1.556 16.893 -8.042 1.00 0.00 C ATOM 36 CD2 LEU A 16 0.356 15.470 -8.765 1.00 0.00 C ATOM 0 H LEU A 16 -4.007 15.319 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.322 14.715 -9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.865 14.456 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.344 13.564 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.401 15.896 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.051 17.792 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.635 17.036 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.273 16.700 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.897 16.344 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.596 15.305 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.649 14.595 -9.346 1.00 0.00 H new ATOM 48 N PRO A 17 -4.361 12.571 -9.887 1.00 0.00 N ATOM 49 CA PRO A 17 -5.805 12.370 -10.153 1.00 0.00 C ATOM 50 C PRO A 17 -6.288 11.032 -9.600 1.00 0.00 C ATOM 51 O PRO A 17 -6.680 10.148 -10.337 1.00 0.00 O ATOM 52 CB PRO A 17 -5.914 12.396 -11.680 1.00 0.00 C ATOM 53 CG PRO A 17 -4.486 12.097 -12.225 1.00 0.00 C ATOM 54 CD PRO A 17 -3.496 12.326 -11.062 1.00 0.00 C ATOM 0 HA PRO A 17 -6.422 13.131 -9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.628 11.651 -12.032 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.268 13.366 -12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.420 11.072 -12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.250 12.750 -13.065 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.854 11.458 -10.909 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.842 13.175 -11.258 1.00 0.00 H new ATOM 62 N GLU A 18 -6.247 10.919 -8.303 1.00 0.00 N ATOM 63 CA GLU A 18 -6.694 9.654 -7.661 1.00 0.00 C ATOM 64 C GLU A 18 -7.930 9.930 -6.804 1.00 0.00 C ATOM 65 O GLU A 18 -9.013 9.485 -7.124 1.00 0.00 O ATOM 66 CB GLU A 18 -5.548 9.134 -6.799 1.00 0.00 C ATOM 67 CG GLU A 18 -4.231 9.194 -7.589 1.00 0.00 C ATOM 68 CD GLU A 18 -4.187 8.043 -8.598 1.00 0.00 C ATOM 69 OE1 GLU A 18 -4.931 8.131 -9.560 1.00 0.00 O ATOM 70 OE2 GLU A 18 -3.407 7.139 -8.345 1.00 0.00 O ATOM 0 H GLU A 18 -5.925 11.644 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.957 8.908 -8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.465 9.731 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.750 8.109 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.149 10.149 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.383 9.127 -6.908 1.00 0.00 H new ATOM 77 N GLN A 19 -7.749 10.669 -5.740 1.00 0.00 N ATOM 78 CA GLN A 19 -8.918 10.970 -4.864 1.00 0.00 C ATOM 79 C GLN A 19 -8.848 12.371 -4.256 1.00 0.00 C ATOM 80 O GLN A 19 -8.087 12.637 -3.344 1.00 0.00 O ATOM 81 CB GLN A 19 -8.976 9.943 -3.735 1.00 0.00 C ATOM 82 CG GLN A 19 -9.182 8.557 -4.350 1.00 0.00 C ATOM 83 CD GLN A 19 -7.828 7.959 -4.739 1.00 0.00 C ATOM 84 OE1 GLN A 19 -6.751 8.681 -4.596 1.00 0.00 O flip ATOM 85 NE2 GLN A 19 -7.739 6.831 -5.182 1.00 0.00 N flip ATOM 0 H GLN A 19 -6.859 11.070 -5.444 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.813 10.922 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.054 9.966 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.791 10.178 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.688 7.904 -3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.824 8.630 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.577 6.261 -5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.827 6.455 -5.439 1.00 0.00 H new ATOM 94 N ALA A 20 -9.694 13.230 -4.752 1.00 0.00 N ATOM 95 CA ALA A 20 -9.712 14.617 -4.214 1.00 0.00 C ATOM 96 C ALA A 20 -10.489 14.608 -2.898 1.00 0.00 C ATOM 97 O ALA A 20 -10.223 15.398 -2.015 1.00 0.00 O ATOM 98 CB ALA A 20 -10.411 15.528 -5.223 1.00 0.00 C ATOM 0 H ALA A 20 -10.364 13.036 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.699 14.981 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.430 16.548 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.870 15.506 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.432 15.180 -5.381 1.00 0.00 H new ATOM 104 N GLN A 21 -11.426 13.699 -2.814 1.00 0.00 N ATOM 105 CA GLN A 21 -12.250 13.575 -1.578 1.00 0.00 C ATOM 106 C GLN A 21 -12.905 12.188 -1.511 1.00 0.00 C ATOM 107 O GLN A 21 -12.698 11.456 -0.563 1.00 0.00 O ATOM 108 CB GLN A 21 -13.323 14.674 -1.577 1.00 0.00 C ATOM 109 CG GLN A 21 -12.874 15.811 -0.652 1.00 0.00 C ATOM 110 CD GLN A 21 -13.976 16.875 -0.583 1.00 0.00 C ATOM 111 OE1 GLN A 21 -15.071 16.707 -1.273 1.00 0.00 O flip ATOM 112 NE2 GLN A 21 -13.847 17.872 0.100 1.00 0.00 N flip ATOM 0 H GLN A 21 -11.656 13.035 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 21 -11.611 13.692 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.477 15.050 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.277 14.268 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.665 15.423 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.949 16.253 -1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.995 18.012 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.591 18.569 0.131 1.00 0.00 H new ATOM 121 N PRO A 22 -13.677 11.860 -2.515 1.00 0.00 N ATOM 122 CA PRO A 22 -14.233 10.495 -2.662 1.00 0.00 C ATOM 123 C PRO A 22 -13.173 9.492 -3.132 1.00 0.00 C ATOM 124 O PRO A 22 -12.362 9.789 -3.987 1.00 0.00 O ATOM 125 CB PRO A 22 -15.332 10.635 -3.719 1.00 0.00 C ATOM 126 CG PRO A 22 -15.077 11.984 -4.448 1.00 0.00 C ATOM 127 CD PRO A 22 -14.129 12.812 -3.560 1.00 0.00 C ATOM 0 HA PRO A 22 -14.603 10.115 -1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -15.302 9.803 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.319 10.625 -3.256 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.633 11.813 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.014 12.516 -4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.288 13.202 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.641 13.669 -3.122 1.00 0.00 H new ATOM 135 N TRP A 23 -13.215 8.325 -2.550 1.00 0.00 N ATOM 136 CA TRP A 23 -12.244 7.257 -2.937 1.00 0.00 C ATOM 137 C TRP A 23 -12.992 6.126 -3.649 1.00 0.00 C ATOM 138 O TRP A 23 -13.986 6.360 -4.309 1.00 0.00 O ATOM 139 CB TRP A 23 -11.576 6.719 -1.664 1.00 0.00 C ATOM 140 CG TRP A 23 -10.062 6.636 -1.880 1.00 0.00 C ATOM 141 CD1 TRP A 23 -9.419 5.867 -2.807 1.00 0.00 C ATOM 142 CD2 TRP A 23 -9.151 7.367 -1.210 1.00 0.00 C ATOM 143 NE1 TRP A 23 -8.153 6.197 -2.634 1.00 0.00 N ATOM 144 CE2 TRP A 23 -7.890 7.092 -1.693 1.00 0.00 C ATOM 145 CE3 TRP A 23 -9.317 8.277 -0.184 1.00 0.00 C ATOM 146 CZ2 TRP A 23 -6.792 7.731 -1.151 1.00 0.00 C ATOM 147 CZ3 TRP A 23 -8.219 8.914 0.360 1.00 0.00 C ATOM 148 CH2 TRP A 23 -6.955 8.640 -0.125 1.00 0.00 C ATOM 0 H TRP A 23 -13.880 8.063 -1.822 1.00 0.00 H new ATOM 0 HA TRP A 23 -11.486 7.660 -3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -11.799 7.371 -0.820 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.974 5.734 -1.420 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -9.842 5.163 -3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.411 5.782 -3.198 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -10.306 8.490 0.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.803 7.519 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.348 9.625 1.163 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -6.095 9.137 0.298 1.00 0.00 H new ATOM 159 N GLY A 24 -12.502 4.924 -3.504 1.00 0.00 N ATOM 160 CA GLY A 24 -13.185 3.775 -4.166 1.00 0.00 C ATOM 161 C GLY A 24 -14.392 3.357 -3.325 1.00 0.00 C ATOM 162 O GLY A 24 -15.512 3.728 -3.618 1.00 0.00 O ATOM 0 H GLY A 24 -11.670 4.689 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.505 4.056 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.494 2.939 -4.274 1.00 0.00 H new ATOM 166 N VAL A 25 -14.137 2.595 -2.296 1.00 0.00 N ATOM 167 CA VAL A 25 -15.262 2.161 -1.417 1.00 0.00 C ATOM 168 C VAL A 25 -15.387 3.120 -0.225 1.00 0.00 C ATOM 169 O VAL A 25 -14.412 3.697 0.218 1.00 0.00 O ATOM 170 CB VAL A 25 -14.975 0.738 -0.911 1.00 0.00 C ATOM 171 CG1 VAL A 25 -14.490 -0.122 -2.084 1.00 0.00 C ATOM 172 CG2 VAL A 25 -13.880 0.783 0.161 1.00 0.00 C ATOM 0 H VAL A 25 -13.212 2.258 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.196 2.172 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.884 0.313 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.284 -1.133 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.261 -0.155 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.580 0.310 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.679 -0.227 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.970 1.205 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.212 1.403 0.994 1.00 0.00 H new ATOM 182 N PRO A 26 -16.595 3.272 0.255 1.00 0.00 N ATOM 183 CA PRO A 26 -16.986 4.443 1.074 1.00 0.00 C ATOM 184 C PRO A 26 -16.593 4.278 2.550 1.00 0.00 C ATOM 185 O PRO A 26 -17.250 4.804 3.426 1.00 0.00 O ATOM 186 CB PRO A 26 -18.511 4.500 0.933 1.00 0.00 C ATOM 187 CG PRO A 26 -18.966 3.086 0.461 1.00 0.00 C ATOM 188 CD PRO A 26 -17.710 2.338 -0.031 1.00 0.00 C ATOM 0 HA PRO A 26 -16.484 5.351 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -18.979 4.761 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -18.806 5.263 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -19.441 2.543 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -19.703 3.167 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.580 1.391 0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -17.774 2.108 -1.095 1.00 0.00 H new ATOM 196 N VAL A 27 -15.526 3.565 2.798 1.00 0.00 N ATOM 197 CA VAL A 27 -15.093 3.360 4.209 1.00 0.00 C ATOM 198 C VAL A 27 -13.586 3.199 4.262 1.00 0.00 C ATOM 199 O VAL A 27 -12.873 4.054 4.746 1.00 0.00 O ATOM 200 CB VAL A 27 -15.768 2.097 4.769 1.00 0.00 C ATOM 201 CG1 VAL A 27 -15.335 1.907 6.227 1.00 0.00 C ATOM 202 CG2 VAL A 27 -17.290 2.271 4.729 1.00 0.00 C ATOM 0 H VAL A 27 -14.941 3.120 2.091 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.382 4.224 4.808 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.478 1.233 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.809 1.013 6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.252 1.797 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.637 2.776 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.769 1.376 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.574 3.133 5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.611 2.428 3.699 1.00 0.00 H new ATOM 212 N GLU A 28 -13.140 2.088 3.754 1.00 0.00 N ATOM 213 CA GLU A 28 -11.682 1.837 3.742 1.00 0.00 C ATOM 214 C GLU A 28 -11.118 2.613 2.545 1.00 0.00 C ATOM 215 O GLU A 28 -10.841 3.795 2.608 1.00 0.00 O ATOM 216 CB GLU A 28 -11.483 0.324 3.576 1.00 0.00 C ATOM 217 CG GLU A 28 -12.060 -0.371 4.815 1.00 0.00 C ATOM 218 CD GLU A 28 -12.687 -1.703 4.397 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.913 -2.585 4.064 1.00 0.00 O ATOM 220 OE2 GLU A 28 -13.905 -1.760 4.431 1.00 0.00 O ATOM 0 H GLU A 28 -13.718 1.351 3.351 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.177 2.158 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.983 -0.029 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.424 0.089 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.274 -0.540 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.808 0.265 5.288 1.00 0.00 H new ATOM 227 N VAL A 29 -10.853 1.878 1.512 1.00 0.00 N ATOM 228 CA VAL A 29 -10.365 2.495 0.248 1.00 0.00 C ATOM 229 C VAL A 29 -10.541 1.496 -0.873 1.00 0.00 C ATOM 230 O VAL A 29 -11.418 1.616 -1.705 1.00 0.00 O ATOM 231 CB VAL A 29 -8.907 2.930 0.351 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.150 2.601 -0.936 1.00 0.00 C ATOM 233 CG2 VAL A 29 -8.897 4.447 0.476 1.00 0.00 C ATOM 0 H VAL A 29 -10.953 0.863 1.484 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.948 3.394 0.049 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.442 2.423 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.112 2.920 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.184 1.526 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.613 3.122 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.868 4.799 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.367 4.888 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.449 4.742 1.369 1.00 0.00 H new ATOM 243 N GLU A 30 -9.690 0.511 -0.791 1.00 0.00 N ATOM 244 CA GLU A 30 -9.685 -0.571 -1.808 1.00 0.00 C ATOM 245 C GLU A 30 -9.394 -1.904 -1.124 1.00 0.00 C ATOM 246 O GLU A 30 -8.284 -2.181 -0.713 1.00 0.00 O ATOM 247 CB GLU A 30 -8.591 -0.276 -2.833 1.00 0.00 C ATOM 248 CG GLU A 30 -8.881 -1.063 -4.117 1.00 0.00 C ATOM 249 CD GLU A 30 -7.771 -0.805 -5.144 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.748 -0.280 -4.734 1.00 0.00 O ATOM 251 OE2 GLU A 30 -8.010 -1.157 -6.288 1.00 0.00 O ATOM 0 H GLU A 30 -8.992 0.411 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.654 -0.623 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.554 0.792 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.616 -0.555 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.944 -2.128 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.846 -0.765 -4.527 1.00 0.00 H new ATOM 258 N SER A 31 -10.423 -2.685 -0.978 1.00 0.00 N ATOM 259 CA SER A 31 -10.237 -4.015 -0.338 1.00 0.00 C ATOM 260 C SER A 31 -10.266 -5.112 -1.406 1.00 0.00 C ATOM 261 O SER A 31 -11.298 -5.426 -1.966 1.00 0.00 O ATOM 262 CB SER A 31 -11.352 -4.210 0.681 1.00 0.00 C ATOM 263 OG SER A 31 -11.248 -3.030 1.468 1.00 0.00 O ATOM 0 H SER A 31 -11.375 -2.465 -1.270 1.00 0.00 H new ATOM 0 HA SER A 31 -9.273 -4.070 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.329 -4.297 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.206 -5.111 1.277 1.00 0.00 H new ATOM 0 HG SER A 31 -12.132 -2.791 1.818 1.00 0.00 H new ATOM 269 N LEU A 32 -9.108 -5.662 -1.655 1.00 0.00 N ATOM 270 CA LEU A 32 -8.989 -6.729 -2.693 1.00 0.00 C ATOM 271 C LEU A 32 -8.255 -7.986 -2.201 1.00 0.00 C ATOM 272 O LEU A 32 -7.435 -7.960 -1.300 1.00 0.00 O ATOM 273 CB LEU A 32 -8.233 -6.151 -3.895 1.00 0.00 C ATOM 274 CG LEU A 32 -9.042 -4.991 -4.491 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.200 -4.308 -5.571 1.00 0.00 C ATOM 276 CD2 LEU A 32 -10.314 -5.546 -5.145 1.00 0.00 C ATOM 0 H LEU A 32 -8.237 -5.418 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.000 -7.039 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.248 -5.802 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.076 -6.924 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.304 -4.282 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.764 -3.481 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.279 -3.928 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.956 -5.028 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.892 -4.726 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.041 -6.245 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.913 -6.062 -4.395 1.00 0.00 H new ATOM 288 N LEU A 33 -8.566 -9.072 -2.858 1.00 0.00 N ATOM 289 CA LEU A 33 -7.937 -10.374 -2.502 1.00 0.00 C ATOM 290 C LEU A 33 -7.115 -10.878 -3.693 1.00 0.00 C ATOM 291 O LEU A 33 -7.579 -10.872 -4.816 1.00 0.00 O ATOM 292 CB LEU A 33 -9.043 -11.387 -2.180 1.00 0.00 C ATOM 293 CG LEU A 33 -10.042 -10.766 -1.193 1.00 0.00 C ATOM 294 CD1 LEU A 33 -11.134 -10.022 -1.975 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.704 -11.889 -0.388 1.00 0.00 C ATOM 0 H LEU A 33 -9.232 -9.112 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.286 -10.251 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.557 -11.682 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.609 -12.291 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.521 -10.075 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.845 -9.580 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.679 -9.235 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.655 -10.722 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.416 -11.460 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.226 -12.564 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.941 -12.443 0.159 1.00 0.00 H new ATOM 307 N VAL A 34 -5.912 -11.307 -3.419 1.00 0.00 N ATOM 308 CA VAL A 34 -5.040 -11.804 -4.526 1.00 0.00 C ATOM 309 C VAL A 34 -4.473 -13.202 -4.219 1.00 0.00 C ATOM 310 O VAL A 34 -4.480 -13.660 -3.091 1.00 0.00 O ATOM 311 CB VAL A 34 -3.894 -10.786 -4.740 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.215 -11.054 -6.085 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.475 -9.364 -4.781 1.00 0.00 C ATOM 0 H VAL A 34 -5.497 -11.336 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.635 -11.897 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.177 -10.884 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.408 -10.337 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.808 -12.065 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.945 -10.952 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.669 -8.646 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.189 -9.286 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.980 -9.150 -3.839 1.00 0.00 H new ATOM 323 N HIS A 35 -3.969 -13.834 -5.247 1.00 0.00 N ATOM 324 CA HIS A 35 -3.400 -15.204 -5.097 1.00 0.00 C ATOM 325 C HIS A 35 -1.870 -15.127 -5.019 1.00 0.00 C ATOM 326 O HIS A 35 -1.273 -14.187 -5.503 1.00 0.00 O ATOM 327 CB HIS A 35 -3.801 -16.010 -6.339 1.00 0.00 C ATOM 328 CG HIS A 35 -4.333 -17.380 -5.922 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.006 -17.776 -4.781 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -4.234 -18.459 -6.627 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -5.281 -19.064 -4.843 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -4.788 -19.443 -5.996 1.00 0.00 N flip ATOM 0 H HIS A 35 -3.928 -13.454 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.775 -15.673 -4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.563 -15.471 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.941 -16.130 -6.998 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.253 -17.162 -4.005 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.761 -18.528 -7.595 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.795 -19.669 -4.111 1.00 0.00 H new ATOM 340 N PRO A 36 -1.278 -16.132 -4.429 1.00 0.00 N ATOM 341 CA PRO A 36 0.115 -16.049 -3.929 1.00 0.00 C ATOM 342 C PRO A 36 1.131 -16.020 -5.078 1.00 0.00 C ATOM 343 O PRO A 36 1.633 -17.044 -5.496 1.00 0.00 O ATOM 344 CB PRO A 36 0.299 -17.304 -3.068 1.00 0.00 C ATOM 345 CG PRO A 36 -0.919 -18.235 -3.348 1.00 0.00 C ATOM 346 CD PRO A 36 -1.937 -17.435 -4.183 1.00 0.00 C ATOM 0 HA PRO A 36 0.284 -15.131 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.233 -17.807 -3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.349 -17.042 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.602 -19.129 -3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.369 -18.568 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.170 -17.944 -5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.877 -17.308 -3.646 1.00 0.00 H new ATOM 354 N GLY A 37 1.402 -14.839 -5.566 1.00 0.00 N ATOM 355 CA GLY A 37 2.384 -14.701 -6.679 1.00 0.00 C ATOM 356 C GLY A 37 1.847 -13.795 -7.793 1.00 0.00 C ATOM 357 O GLY A 37 2.170 -13.984 -8.949 1.00 0.00 O ATOM 0 H GLY A 37 0.986 -13.966 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.317 -14.291 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.613 -15.685 -7.088 1.00 0.00 H new ATOM 361 N ASP A 38 1.038 -12.835 -7.428 1.00 0.00 N ATOM 362 CA ASP A 38 0.486 -11.918 -8.470 1.00 0.00 C ATOM 363 C ASP A 38 0.832 -10.453 -8.195 1.00 0.00 C ATOM 364 O ASP A 38 1.737 -10.135 -7.448 1.00 0.00 O ATOM 365 CB ASP A 38 -1.041 -12.050 -8.507 1.00 0.00 C ATOM 366 CG ASP A 38 -1.453 -13.521 -8.603 1.00 0.00 C ATOM 367 OD1 ASP A 38 -0.763 -14.241 -9.306 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.454 -13.827 -7.977 1.00 0.00 O ATOM 0 H ASP A 38 0.739 -12.647 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 38 0.933 -12.205 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.472 -11.604 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.438 -11.499 -9.360 1.00 0.00 H new ATOM 373 N LEU A 39 0.069 -9.594 -8.814 1.00 0.00 N ATOM 374 CA LEU A 39 0.298 -8.136 -8.644 1.00 0.00 C ATOM 375 C LEU A 39 -0.833 -7.508 -7.837 1.00 0.00 C ATOM 376 O LEU A 39 -1.993 -7.578 -8.194 1.00 0.00 O ATOM 377 CB LEU A 39 0.381 -7.474 -10.026 1.00 0.00 C ATOM 378 CG LEU A 39 -0.749 -8.000 -10.924 1.00 0.00 C ATOM 379 CD1 LEU A 39 -1.130 -6.903 -11.923 1.00 0.00 C ATOM 380 CD2 LEU A 39 -0.238 -9.211 -11.713 1.00 0.00 C ATOM 0 H LEU A 39 -0.704 -9.842 -9.431 1.00 0.00 H new ATOM 0 HA LEU A 39 1.233 -7.983 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.304 -6.391 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.348 -7.684 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.608 -8.281 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.932 -7.261 -12.569 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.467 -6.019 -11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.262 -6.647 -12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.034 -9.591 -12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.611 -8.913 -12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.073 -9.992 -11.019 1.00 0.00 H new ATOM 392 N LEU A 40 -0.437 -6.909 -6.752 1.00 0.00 N ATOM 393 CA LEU A 40 -1.431 -6.236 -5.863 1.00 0.00 C ATOM 394 C LEU A 40 -1.120 -4.738 -5.828 1.00 0.00 C ATOM 395 O LEU A 40 0.027 -4.349 -5.745 1.00 0.00 O ATOM 396 CB LEU A 40 -1.319 -6.833 -4.454 1.00 0.00 C ATOM 397 CG LEU A 40 -1.624 -5.746 -3.408 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.127 -5.448 -3.410 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.225 -6.259 -2.029 1.00 0.00 C ATOM 0 H LEU A 40 0.532 -6.854 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.444 -6.386 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.016 -7.664 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.318 -7.233 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.067 -4.840 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.346 -4.678 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.427 -5.098 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.678 -6.356 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.438 -5.495 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.792 -7.161 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.159 -6.489 -2.020 1.00 0.00 H new ATOM 411 N GLN A 41 -2.137 -3.925 -5.881 1.00 0.00 N ATOM 412 CA GLN A 41 -1.868 -2.459 -5.862 1.00 0.00 C ATOM 413 C GLN A 41 -2.822 -1.653 -4.980 1.00 0.00 C ATOM 414 O GLN A 41 -3.998 -1.939 -4.867 1.00 0.00 O ATOM 415 CB GLN A 41 -1.965 -1.942 -7.292 1.00 0.00 C ATOM 416 CG GLN A 41 -3.333 -2.331 -7.859 1.00 0.00 C ATOM 417 CD GLN A 41 -3.216 -2.388 -9.380 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.842 -3.196 -10.036 1.00 0.00 O ATOM 419 NE2 GLN A 41 -2.419 -1.546 -9.977 1.00 0.00 N ATOM 0 H GLN A 41 -3.118 -4.200 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.875 -2.325 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.841 -0.859 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.168 -2.366 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.648 -3.297 -7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.089 -1.604 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.892 -0.866 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.323 -1.567 -10.992 1.00 0.00 H new ATOM 428 N LEU A 42 -2.244 -0.651 -4.377 1.00 0.00 N ATOM 429 CA LEU A 42 -3.008 0.279 -3.497 1.00 0.00 C ATOM 430 C LEU A 42 -2.707 1.689 -4.006 1.00 0.00 C ATOM 431 O LEU A 42 -1.571 2.111 -3.958 1.00 0.00 O ATOM 432 CB LEU A 42 -2.517 0.135 -2.044 1.00 0.00 C ATOM 433 CG LEU A 42 -1.133 -0.535 -2.019 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.410 -0.128 -0.730 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.312 -2.055 -2.006 1.00 0.00 C ATOM 0 H LEU A 42 -1.251 -0.433 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.077 0.066 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.464 1.116 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.228 -0.458 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.560 -0.228 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.573 -0.597 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.296 0.956 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.993 -0.453 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.334 -2.536 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.876 -2.347 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.853 -2.365 -2.900 1.00 0.00 H new ATOM 447 N ARG A 43 -3.709 2.368 -4.501 1.00 0.00 N ATOM 448 CA ARG A 43 -3.472 3.742 -5.041 1.00 0.00 C ATOM 449 C ARG A 43 -4.032 4.846 -4.157 1.00 0.00 C ATOM 450 O ARG A 43 -5.228 5.017 -4.017 1.00 0.00 O ATOM 451 CB ARG A 43 -4.130 3.852 -6.416 1.00 0.00 C ATOM 452 CG ARG A 43 -3.565 2.769 -7.330 1.00 0.00 C ATOM 453 CD ARG A 43 -3.457 3.338 -8.745 1.00 0.00 C ATOM 454 NE ARG A 43 -4.833 3.632 -9.236 1.00 0.00 N ATOM 455 CZ ARG A 43 -5.190 4.869 -9.444 1.00 0.00 C ATOM 456 NH1 ARG A 43 -5.845 5.501 -8.508 1.00 0.00 N ATOM 457 NH2 ARG A 43 -4.879 5.436 -10.577 1.00 0.00 N ATOM 0 H ARG A 43 -4.672 2.036 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.392 3.879 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.211 3.741 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.946 4.838 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.586 2.447 -6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.212 1.892 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.852 4.245 -8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.963 2.625 -9.405 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.491 2.872 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.069 5.027 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.133 6.469 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.364 4.912 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.151 6.403 -10.755 1.00 0.00 H new ATOM 471 N CYS A 44 -3.120 5.609 -3.622 1.00 0.00 N ATOM 472 CA CYS A 44 -3.520 6.735 -2.742 1.00 0.00 C ATOM 473 C CYS A 44 -3.823 7.940 -3.626 1.00 0.00 C ATOM 474 O CYS A 44 -4.172 7.790 -4.779 1.00 0.00 O ATOM 475 CB CYS A 44 -2.361 7.075 -1.819 1.00 0.00 C ATOM 476 SG CYS A 44 -2.758 7.968 -0.298 1.00 0.00 S ATOM 0 H CYS A 44 -2.115 5.499 -3.758 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.394 6.467 -2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.862 6.145 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.642 7.669 -2.383 1.00 0.00 H new ATOM 481 N ARG A 45 -3.681 9.112 -3.072 1.00 0.00 N ATOM 482 CA ARG A 45 -3.971 10.330 -3.881 1.00 0.00 C ATOM 483 C ARG A 45 -2.853 11.366 -3.785 1.00 0.00 C ATOM 484 O ARG A 45 -2.111 11.389 -2.823 1.00 0.00 O ATOM 485 CB ARG A 45 -5.253 10.958 -3.335 1.00 0.00 C ATOM 486 CG ARG A 45 -4.870 11.831 -2.132 1.00 0.00 C ATOM 487 CD ARG A 45 -5.954 11.748 -1.068 1.00 0.00 C ATOM 488 NE ARG A 45 -5.484 12.542 0.103 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.015 13.704 0.365 1.00 0.00 C ATOM 490 NH1 ARG A 45 -6.936 14.195 -0.420 1.00 0.00 N ATOM 491 NH2 ARG A 45 -5.570 14.329 1.420 1.00 0.00 N ATOM 0 H ARG A 45 -3.382 9.279 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.066 10.035 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.742 11.558 -4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.961 10.185 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.917 11.500 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.738 12.865 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.896 12.143 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.134 10.712 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.744 12.175 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.241 13.670 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.350 15.104 -0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.841 13.905 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.951 15.241 1.671 1.00 0.00 H new ATOM 505 N LEU A 46 -2.736 12.189 -4.793 1.00 0.00 N ATOM 506 CA LEU A 46 -1.705 13.256 -4.718 1.00 0.00 C ATOM 507 C LEU A 46 -2.452 14.594 -4.639 1.00 0.00 C ATOM 508 O LEU A 46 -3.326 14.879 -5.433 1.00 0.00 O ATOM 509 CB LEU A 46 -0.832 13.165 -5.967 1.00 0.00 C ATOM 510 CG LEU A 46 0.177 12.030 -5.790 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.913 11.828 -7.119 1.00 0.00 C ATOM 512 CD2 LEU A 46 1.198 12.420 -4.714 1.00 0.00 C ATOM 0 H LEU A 46 -3.297 12.169 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.056 13.156 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.451 12.984 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.312 14.109 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.337 11.116 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.639 11.021 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.195 11.571 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.430 12.748 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.918 11.612 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.720 13.327 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.682 12.599 -3.771 1.00 0.00 H new ATOM 524 N ARG A 47 -2.118 15.389 -3.659 1.00 0.00 N ATOM 525 CA ARG A 47 -2.837 16.689 -3.514 1.00 0.00 C ATOM 526 C ARG A 47 -1.877 17.877 -3.542 1.00 0.00 C ATOM 527 O ARG A 47 -0.681 17.721 -3.686 1.00 0.00 O ATOM 528 CB ARG A 47 -3.578 16.676 -2.170 1.00 0.00 C ATOM 529 CG ARG A 47 -5.039 17.086 -2.385 1.00 0.00 C ATOM 530 CD ARG A 47 -5.751 17.061 -1.026 1.00 0.00 C ATOM 531 NE ARG A 47 -7.217 17.184 -1.262 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.960 17.907 -0.466 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.441 18.910 0.188 1.00 0.00 N ATOM 534 NH2 ARG A 47 -9.222 17.594 -0.352 1.00 0.00 N ATOM 0 H ARG A 47 -1.394 15.202 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.527 16.801 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.530 15.681 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.097 17.360 -1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.093 18.082 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.526 16.404 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.528 16.134 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.398 17.879 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.644 16.700 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.452 19.133 0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.025 19.471 0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.601 16.805 -0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.829 18.138 0.261 1.00 0.00 H new ATOM 548 N ASP A 48 -2.446 19.043 -3.399 1.00 0.00 N ATOM 549 CA ASP A 48 -1.614 20.278 -3.389 1.00 0.00 C ATOM 550 C ASP A 48 -1.264 20.589 -1.935 1.00 0.00 C ATOM 551 O ASP A 48 -0.879 21.689 -1.592 1.00 0.00 O ATOM 552 CB ASP A 48 -2.433 21.425 -3.985 1.00 0.00 C ATOM 553 CG ASP A 48 -2.915 21.022 -5.381 1.00 0.00 C ATOM 554 OD1 ASP A 48 -2.050 20.857 -6.225 1.00 0.00 O ATOM 555 OD2 ASP A 48 -4.121 20.900 -5.520 1.00 0.00 O ATOM 0 H ASP A 48 -3.449 19.193 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.704 20.148 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.285 21.652 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.827 22.329 -4.043 1.00 0.00 H new ATOM 560 N ASP A 49 -1.415 19.581 -1.118 1.00 0.00 N ATOM 561 CA ASP A 49 -1.110 19.730 0.331 1.00 0.00 C ATOM 562 C ASP A 49 -0.136 18.621 0.724 1.00 0.00 C ATOM 563 O ASP A 49 0.958 18.886 1.180 1.00 0.00 O ATOM 564 CB ASP A 49 -2.412 19.580 1.126 1.00 0.00 C ATOM 565 CG ASP A 49 -3.500 20.447 0.483 1.00 0.00 C ATOM 566 OD1 ASP A 49 -3.214 21.617 0.283 1.00 0.00 O ATOM 567 OD2 ASP A 49 -4.560 19.893 0.240 1.00 0.00 O ATOM 0 H ASP A 49 -1.739 18.655 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.670 20.705 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.724 18.536 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.256 19.881 2.162 1.00 0.00 H new ATOM 572 N VAL A 50 -0.565 17.403 0.519 1.00 0.00 N ATOM 573 CA VAL A 50 0.294 16.239 0.853 1.00 0.00 C ATOM 574 C VAL A 50 1.512 16.199 -0.066 1.00 0.00 C ATOM 575 O VAL A 50 1.433 16.463 -1.250 1.00 0.00 O ATOM 576 CB VAL A 50 -0.539 14.966 0.684 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.824 15.118 1.505 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.914 14.797 -0.791 1.00 0.00 C ATOM 0 H VAL A 50 -1.479 17.168 0.132 1.00 0.00 H new ATOM 0 HA VAL A 50 0.650 16.320 1.880 1.00 0.00 H new ATOM 0 HB VAL A 50 0.031 14.099 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.433 14.220 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.570 15.261 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.385 15.981 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.507 13.891 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.495 15.659 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.007 14.721 -1.391 1.00 0.00 H new ATOM 588 N GLN A 51 2.614 15.867 0.538 1.00 0.00 N ATOM 589 CA GLN A 51 3.900 15.782 -0.206 1.00 0.00 C ATOM 590 C GLN A 51 4.556 14.442 0.087 1.00 0.00 C ATOM 591 O GLN A 51 5.362 13.962 -0.687 1.00 0.00 O ATOM 592 CB GLN A 51 4.812 16.908 0.268 1.00 0.00 C ATOM 593 CG GLN A 51 4.062 18.217 0.069 1.00 0.00 C ATOM 594 CD GLN A 51 4.548 19.242 1.091 1.00 0.00 C ATOM 595 OE1 GLN A 51 3.655 19.787 1.867 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.719 19.551 1.191 1.00 0.00 N flip ATOM 0 H GLN A 51 2.681 15.647 1.532 1.00 0.00 H new ATOM 0 HA GLN A 51 3.723 15.873 -1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.075 16.772 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.744 16.910 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.223 18.591 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.990 18.055 0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.414 19.121 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.007 20.240 1.885 1.00 0.00 H new ATOM 605 N SER A 52 4.198 13.864 1.202 1.00 0.00 N ATOM 606 CA SER A 52 4.805 12.554 1.545 1.00 0.00 C ATOM 607 C SER A 52 3.666 11.565 1.699 1.00 0.00 C ATOM 608 O SER A 52 2.708 11.844 2.390 1.00 0.00 O ATOM 609 CB SER A 52 5.563 12.686 2.867 1.00 0.00 C ATOM 610 OG SER A 52 6.550 13.669 2.590 1.00 0.00 O ATOM 0 H SER A 52 3.527 14.235 1.874 1.00 0.00 H new ATOM 0 HA SER A 52 5.502 12.222 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.904 12.997 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.013 11.740 3.167 1.00 0.00 H new ATOM 0 HG SER A 52 7.092 13.824 3.392 1.00 0.00 H new ATOM 616 N ILE A 53 3.751 10.470 0.999 1.00 0.00 N ATOM 617 CA ILE A 53 2.677 9.459 1.127 1.00 0.00 C ATOM 618 C ILE A 53 3.296 8.211 1.739 1.00 0.00 C ATOM 619 O ILE A 53 4.110 7.541 1.133 1.00 0.00 O ATOM 620 CB ILE A 53 2.143 9.148 -0.254 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.692 10.451 -0.949 1.00 0.00 C ATOM 622 CG2 ILE A 53 0.952 8.193 -0.137 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.724 11.224 -0.052 1.00 0.00 C ATOM 0 H ILE A 53 4.506 10.237 0.354 1.00 0.00 H new ATOM 0 HA ILE A 53 1.860 9.818 1.753 1.00 0.00 H new ATOM 0 HB ILE A 53 2.930 8.681 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.560 11.069 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.210 10.217 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.567 7.968 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.272 7.269 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.168 8.660 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.415 12.140 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.152 10.609 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.219 11.475 0.886 1.00 0.00 H new ATOM 635 N ASN A 54 2.885 7.941 2.943 1.00 0.00 N ATOM 636 CA ASN A 54 3.421 6.755 3.659 1.00 0.00 C ATOM 637 C ASN A 54 2.405 5.639 3.496 1.00 0.00 C ATOM 638 O ASN A 54 1.220 5.895 3.523 1.00 0.00 O ATOM 639 CB ASN A 54 3.539 7.089 5.146 1.00 0.00 C ATOM 640 CG ASN A 54 3.325 8.585 5.358 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.421 8.946 6.225 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 3.951 9.424 4.740 1.00 0.00 N flip ATOM 0 H ASN A 54 2.201 8.491 3.463 1.00 0.00 H new ATOM 0 HA ASN A 54 4.396 6.467 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.802 6.523 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.521 6.797 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.657 9.137 4.063 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.770 10.415 4.899 1.00 0.00 H new ATOM 649 N TRP A 55 2.859 4.429 3.343 1.00 0.00 N ATOM 650 CA TRP A 55 1.877 3.325 3.196 1.00 0.00 C ATOM 651 C TRP A 55 1.899 2.496 4.474 1.00 0.00 C ATOM 652 O TRP A 55 2.847 1.781 4.724 1.00 0.00 O ATOM 653 CB TRP A 55 2.287 2.481 1.996 1.00 0.00 C ATOM 654 CG TRP A 55 1.962 3.280 0.733 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.838 4.024 0.003 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.745 3.355 0.167 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.079 4.499 -0.970 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.797 4.156 -0.953 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.441 2.763 0.550 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.351 4.373 -1.691 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.586 2.976 -0.191 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.543 3.785 -1.310 1.00 0.00 C ATOM 0 H TRP A 55 3.843 4.161 3.314 1.00 0.00 H new ATOM 0 HA TRP A 55 0.868 3.704 3.036 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.351 2.248 2.038 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.752 1.531 1.996 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.892 4.186 0.176 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.461 5.101 -1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.473 2.134 1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.317 5.003 -2.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.515 2.510 0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.440 3.958 -1.887 1.00 0.00 H new ATOM 673 N LEU A 56 0.834 2.547 5.229 1.00 0.00 N ATOM 674 CA LEU A 56 0.821 1.775 6.495 1.00 0.00 C ATOM 675 C LEU A 56 0.545 0.325 6.095 1.00 0.00 C ATOM 676 O LEU A 56 -0.577 -0.015 5.779 1.00 0.00 O ATOM 677 CB LEU A 56 -0.348 2.228 7.388 1.00 0.00 C ATOM 678 CG LEU A 56 -0.333 3.742 7.624 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.745 4.158 8.053 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.623 4.073 8.771 1.00 0.00 C ATOM 0 H LEU A 56 -0.011 3.081 5.025 1.00 0.00 H new ATOM 0 HA LEU A 56 1.759 1.909 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.292 1.942 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.295 1.711 8.346 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.017 4.259 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.770 5.233 8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.454 3.903 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.016 3.633 8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.632 5.150 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.291 3.568 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.628 3.737 8.516 1.00 0.00 H new ATOM 692 N ARG A 57 1.565 -0.486 6.148 1.00 0.00 N ATOM 693 CA ARG A 57 1.401 -1.911 5.744 1.00 0.00 C ATOM 694 C ARG A 57 0.760 -2.670 6.897 1.00 0.00 C ATOM 695 O ARG A 57 1.212 -2.560 8.017 1.00 0.00 O ATOM 696 CB ARG A 57 2.785 -2.503 5.462 1.00 0.00 C ATOM 697 CG ARG A 57 2.647 -3.991 5.110 1.00 0.00 C ATOM 698 CD ARG A 57 3.728 -4.784 5.854 1.00 0.00 C ATOM 699 NE ARG A 57 3.361 -4.836 7.299 1.00 0.00 N ATOM 700 CZ ARG A 57 4.189 -4.366 8.193 1.00 0.00 C ATOM 701 NH1 ARG A 57 3.791 -3.389 8.959 1.00 0.00 N ATOM 702 NH2 ARG A 57 5.379 -4.891 8.291 1.00 0.00 N ATOM 0 H ARG A 57 2.503 -0.225 6.453 1.00 0.00 H new ATOM 0 HA ARG A 57 0.776 -1.986 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.260 -1.967 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.427 -2.383 6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.657 -4.353 5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.749 -4.134 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.808 -5.792 5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.701 -4.311 5.726 1.00 0.00 H new ATOM 0 HE ARG A 57 2.468 -5.236 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.851 -3.008 8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.420 -3.005 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.651 -5.657 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.038 -4.536 8.984 1.00 0.00 H new ATOM 716 N ASP A 58 -0.294 -3.376 6.589 1.00 0.00 N ATOM 717 CA ASP A 58 -1.016 -4.165 7.626 1.00 0.00 C ATOM 718 C ASP A 58 -1.723 -3.217 8.592 1.00 0.00 C ATOM 719 O ASP A 58 -2.936 -3.208 8.662 1.00 0.00 O ATOM 720 CB ASP A 58 -0.029 -5.049 8.399 1.00 0.00 C ATOM 721 CG ASP A 58 -0.834 -6.033 9.259 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.043 -6.025 9.095 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.190 -6.734 10.022 1.00 0.00 O ATOM 0 H ASP A 58 -0.690 -3.440 5.651 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.754 -4.802 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.618 -5.590 7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.617 -4.436 9.027 1.00 0.00 H new ATOM 728 N GLY A 59 -0.936 -2.471 9.325 1.00 0.00 N ATOM 729 CA GLY A 59 -1.503 -1.487 10.290 1.00 0.00 C ATOM 730 C GLY A 59 -0.456 -0.452 10.745 1.00 0.00 C ATOM 731 O GLY A 59 -0.715 0.310 11.656 1.00 0.00 O ATOM 0 H GLY A 59 0.083 -2.503 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.345 -0.971 9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.891 -2.016 11.160 1.00 0.00 H new ATOM 735 N VAL A 60 0.698 -0.429 10.124 1.00 0.00 N ATOM 736 CA VAL A 60 1.733 0.563 10.553 1.00 0.00 C ATOM 737 C VAL A 60 2.552 1.098 9.367 1.00 0.00 C ATOM 738 O VAL A 60 2.780 0.399 8.398 1.00 0.00 O ATOM 739 CB VAL A 60 2.667 -0.119 11.562 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.337 -1.324 10.896 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.752 0.872 11.998 1.00 0.00 C ATOM 0 H VAL A 60 0.965 -1.041 9.353 1.00 0.00 H new ATOM 0 HA VAL A 60 1.227 1.417 11.004 1.00 0.00 H new ATOM 0 HB VAL A 60 2.091 -0.445 12.428 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.001 -1.811 11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.574 -2.031 10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.914 -0.989 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.417 0.391 12.715 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.326 1.190 11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.286 1.741 12.462 1.00 0.00 H new ATOM 751 N GLN A 61 2.992 2.324 9.485 1.00 0.00 N ATOM 752 CA GLN A 61 3.793 2.946 8.384 1.00 0.00 C ATOM 753 C GLN A 61 4.734 1.957 7.731 1.00 0.00 C ATOM 754 O GLN A 61 5.480 1.259 8.386 1.00 0.00 O ATOM 755 CB GLN A 61 4.644 4.078 8.930 1.00 0.00 C ATOM 756 CG GLN A 61 4.706 5.187 7.876 1.00 0.00 C ATOM 757 CD GLN A 61 6.165 5.612 7.690 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.743 6.279 8.525 1.00 0.00 O ATOM 759 NE2 GLN A 61 6.793 5.237 6.610 1.00 0.00 N ATOM 0 H GLN A 61 2.832 2.923 10.295 1.00 0.00 H new ATOM 0 HA GLN A 61 3.074 3.305 7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.218 4.460 9.858 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.647 3.720 9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.293 4.833 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.102 6.039 8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.310 4.677 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.767 5.504 6.468 1.00 0.00 H new ATOM 768 N LEU A 62 4.667 1.952 6.432 1.00 0.00 N ATOM 769 CA LEU A 62 5.530 1.036 5.654 1.00 0.00 C ATOM 770 C LEU A 62 5.652 1.503 4.208 1.00 0.00 C ATOM 771 O LEU A 62 5.200 2.559 3.804 1.00 0.00 O ATOM 772 CB LEU A 62 4.884 -0.351 5.636 1.00 0.00 C ATOM 773 CG LEU A 62 5.855 -1.440 6.160 1.00 0.00 C ATOM 774 CD1 LEU A 62 7.118 -1.500 5.293 1.00 0.00 C ATOM 775 CD2 LEU A 62 6.268 -1.133 7.601 1.00 0.00 C ATOM 0 H LEU A 62 4.050 2.545 5.877 1.00 0.00 H new ATOM 0 HA LEU A 62 6.516 1.016 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.983 -0.341 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.576 -0.596 4.620 1.00 0.00 H new ATOM 0 HG LEU A 62 5.337 -2.398 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.787 -2.270 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.843 -1.738 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.624 -0.535 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.950 -1.906 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.766 -0.164 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.383 -1.110 8.236 1.00 0.00 H new ATOM 787 N VAL A 63 6.276 0.612 3.499 1.00 0.00 N ATOM 788 CA VAL A 63 6.525 0.760 2.041 1.00 0.00 C ATOM 789 C VAL A 63 6.702 -0.634 1.427 1.00 0.00 C ATOM 790 O VAL A 63 6.094 -1.581 1.885 1.00 0.00 O ATOM 791 CB VAL A 63 7.771 1.618 1.829 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.659 2.916 2.635 1.00 0.00 C ATOM 793 CG2 VAL A 63 9.015 0.853 2.299 1.00 0.00 C ATOM 0 H VAL A 63 6.642 -0.256 3.891 1.00 0.00 H new ATOM 0 HA VAL A 63 5.683 1.253 1.554 1.00 0.00 H new ATOM 0 HB VAL A 63 7.856 1.851 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.552 3.521 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.781 3.473 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.564 2.679 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.901 1.469 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.917 0.615 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.112 -0.070 1.728 1.00 0.00 H new ATOM 803 N GLU A 64 7.507 -0.743 0.402 1.00 0.00 N ATOM 804 CA GLU A 64 7.695 -2.066 -0.238 1.00 0.00 C ATOM 805 C GLU A 64 7.878 -3.192 0.772 1.00 0.00 C ATOM 806 O GLU A 64 8.292 -3.006 1.900 1.00 0.00 O ATOM 807 CB GLU A 64 8.912 -2.002 -1.167 1.00 0.00 C ATOM 808 CG GLU A 64 10.140 -1.552 -0.373 1.00 0.00 C ATOM 809 CD GLU A 64 11.356 -1.559 -1.304 1.00 0.00 C ATOM 810 OE1 GLU A 64 11.328 -0.769 -2.234 1.00 0.00 O ATOM 811 OE2 GLU A 64 12.239 -2.355 -1.033 1.00 0.00 O ATOM 0 H GLU A 64 8.036 0.024 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 64 6.789 -2.291 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.093 -2.980 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.721 -1.308 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.982 -0.553 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.308 -2.218 0.473 1.00 0.00 H new ATOM 818 N SER A 65 7.556 -4.347 0.274 1.00 0.00 N ATOM 819 CA SER A 65 7.656 -5.593 1.089 1.00 0.00 C ATOM 820 C SER A 65 8.827 -6.456 0.609 1.00 0.00 C ATOM 821 O SER A 65 9.917 -6.377 1.141 1.00 0.00 O ATOM 822 CB SER A 65 6.347 -6.375 0.948 1.00 0.00 C ATOM 823 OG SER A 65 6.602 -7.587 1.645 1.00 0.00 O ATOM 0 H SER A 65 7.221 -4.488 -0.679 1.00 0.00 H new ATOM 0 HA SER A 65 7.829 -5.331 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.508 -5.832 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.101 -6.559 -0.098 1.00 0.00 H new ATOM 0 HG SER A 65 6.597 -7.417 2.610 1.00 0.00 H new ATOM 829 N ASN A 66 8.574 -7.261 -0.389 1.00 0.00 N ATOM 830 CA ASN A 66 9.658 -8.134 -0.925 1.00 0.00 C ATOM 831 C ASN A 66 10.070 -7.606 -2.299 1.00 0.00 C ATOM 832 O ASN A 66 11.151 -7.076 -2.464 1.00 0.00 O ATOM 833 CB ASN A 66 9.121 -9.562 -1.050 1.00 0.00 C ATOM 834 CG ASN A 66 10.284 -10.508 -1.361 1.00 0.00 C ATOM 835 OD1 ASN A 66 10.889 -10.447 -2.412 1.00 0.00 O ATOM 836 ND2 ASN A 66 10.628 -11.396 -0.469 1.00 0.00 N ATOM 0 H ASN A 66 7.670 -7.351 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 66 10.522 -8.132 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.630 -9.862 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.372 -9.614 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.401 -12.034 -0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.124 -11.452 0.416 1.00 0.00 H new ATOM 843 N ARG A 67 9.198 -7.767 -3.257 1.00 0.00 N ATOM 844 CA ARG A 67 9.497 -7.263 -4.625 1.00 0.00 C ATOM 845 C ARG A 67 8.346 -6.332 -5.016 1.00 0.00 C ATOM 846 O ARG A 67 7.487 -6.658 -5.815 1.00 0.00 O ATOM 847 CB ARG A 67 9.586 -8.459 -5.578 1.00 0.00 C ATOM 848 CG ARG A 67 10.902 -9.205 -5.304 1.00 0.00 C ATOM 849 CD ARG A 67 10.698 -10.699 -5.576 1.00 0.00 C ATOM 850 NE ARG A 67 10.312 -10.867 -7.005 1.00 0.00 N ATOM 851 CZ ARG A 67 9.045 -10.914 -7.310 1.00 0.00 C ATOM 852 NH1 ARG A 67 8.541 -9.976 -8.062 1.00 0.00 N ATOM 853 NH2 ARG A 67 8.311 -11.880 -6.832 1.00 0.00 N ATOM 0 H ARG A 67 8.293 -8.225 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 67 10.443 -6.722 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.736 -9.125 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.551 -8.121 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.696 -8.812 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.214 -9.050 -4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.613 -11.252 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.923 -11.101 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 67 11.025 -10.944 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.136 -9.220 -8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.552 -9.998 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.729 -12.587 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.319 -11.929 -7.063 1.00 0.00 H new ATOM 867 N THR A 68 8.309 -5.188 -4.390 1.00 0.00 N ATOM 868 CA THR A 68 7.214 -4.254 -4.721 1.00 0.00 C ATOM 869 C THR A 68 7.823 -2.879 -4.982 1.00 0.00 C ATOM 870 O THR A 68 8.879 -2.550 -4.480 1.00 0.00 O ATOM 871 CB THR A 68 6.248 -4.258 -3.531 1.00 0.00 C ATOM 872 OG1 THR A 68 6.965 -3.628 -2.484 1.00 0.00 O ATOM 873 CG2 THR A 68 6.061 -5.688 -3.009 1.00 0.00 C ATOM 0 H THR A 68 8.973 -4.871 -3.683 1.00 0.00 H new ATOM 0 HA THR A 68 6.663 -4.541 -5.617 1.00 0.00 H new ATOM 0 HB THR A 68 5.299 -3.804 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.826 -2.659 -2.529 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.373 -5.680 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.654 -6.315 -3.802 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.024 -6.087 -2.689 1.00 0.00 H new ATOM 881 N ARG A 69 7.126 -2.111 -5.767 1.00 0.00 N ATOM 882 CA ARG A 69 7.612 -0.758 -6.119 1.00 0.00 C ATOM 883 C ARG A 69 6.706 0.239 -5.413 1.00 0.00 C ATOM 884 O ARG A 69 5.541 0.380 -5.729 1.00 0.00 O ATOM 885 CB ARG A 69 7.520 -0.575 -7.636 1.00 0.00 C ATOM 886 CG ARG A 69 8.613 0.402 -8.066 1.00 0.00 C ATOM 887 CD ARG A 69 8.496 0.640 -9.575 1.00 0.00 C ATOM 888 NE ARG A 69 9.561 1.602 -9.978 1.00 0.00 N ATOM 889 CZ ARG A 69 9.224 2.744 -10.514 1.00 0.00 C ATOM 890 NH1 ARG A 69 9.113 3.794 -9.746 1.00 0.00 N ATOM 891 NH2 ARG A 69 9.012 2.799 -11.801 1.00 0.00 N ATOM 0 H ARG A 69 6.231 -2.369 -6.183 1.00 0.00 H new ATOM 0 HA ARG A 69 8.648 -0.612 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.645 -1.532 -8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.538 -0.193 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.511 1.344 -7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.596 -0.000 -7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.606 -0.299 -10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.511 1.037 -9.822 1.00 0.00 H new ATOM 0 HE ARG A 69 10.544 1.370 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.289 3.714 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.851 4.694 -10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.110 1.958 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.748 3.682 -12.237 1.00 0.00 H new ATOM 905 N ILE A 70 7.252 0.834 -4.395 1.00 0.00 N ATOM 906 CA ILE A 70 6.462 1.835 -3.636 1.00 0.00 C ATOM 907 C ILE A 70 6.628 3.214 -4.240 1.00 0.00 C ATOM 908 O ILE A 70 7.718 3.748 -4.279 1.00 0.00 O ATOM 909 CB ILE A 70 6.985 1.939 -2.224 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.523 1.802 -2.293 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.386 0.826 -1.377 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.155 2.235 -0.982 1.00 0.00 C ATOM 0 H ILE A 70 8.201 0.673 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 70 5.421 1.514 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 70 6.712 2.892 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.793 0.768 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.912 2.410 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.764 0.901 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.300 0.919 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.664 -0.141 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.238 2.132 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.901 3.276 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.780 1.608 -0.173 1.00 0.00 H new ATOM 924 N THR A 71 5.550 3.771 -4.707 1.00 0.00 N ATOM 925 CA THR A 71 5.675 5.136 -5.253 1.00 0.00 C ATOM 926 C THR A 71 4.961 6.080 -4.275 1.00 0.00 C ATOM 927 O THR A 71 3.940 5.741 -3.705 1.00 0.00 O ATOM 928 CB THR A 71 5.036 5.213 -6.637 1.00 0.00 C ATOM 929 OG1 THR A 71 3.707 5.618 -6.366 1.00 0.00 O ATOM 930 CG2 THR A 71 4.904 3.824 -7.273 1.00 0.00 C ATOM 0 H THR A 71 4.619 3.354 -4.733 1.00 0.00 H new ATOM 0 HA THR A 71 6.723 5.417 -5.361 1.00 0.00 H new ATOM 0 HB THR A 71 5.619 5.858 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.170 5.544 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.445 3.917 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.892 3.375 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.281 3.192 -6.640 1.00 0.00 H new ATOM 938 N GLY A 72 5.569 7.215 -4.064 1.00 0.00 N ATOM 939 CA GLY A 72 5.001 8.245 -3.147 1.00 0.00 C ATOM 940 C GLY A 72 3.510 8.530 -3.368 1.00 0.00 C ATOM 941 O GLY A 72 2.987 9.475 -2.816 1.00 0.00 O ATOM 0 H GLY A 72 6.454 7.477 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.148 7.919 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.559 9.173 -3.271 1.00 0.00 H new ATOM 945 N GLU A 73 2.860 7.769 -4.206 1.00 0.00 N ATOM 946 CA GLU A 73 1.403 7.988 -4.422 1.00 0.00 C ATOM 947 C GLU A 73 0.668 6.644 -4.498 1.00 0.00 C ATOM 948 O GLU A 73 -0.495 6.545 -4.160 1.00 0.00 O ATOM 949 CB GLU A 73 1.205 8.759 -5.729 1.00 0.00 C ATOM 950 CG GLU A 73 1.861 7.989 -6.879 1.00 0.00 C ATOM 951 CD GLU A 73 1.510 8.674 -8.203 1.00 0.00 C ATOM 952 OE1 GLU A 73 0.331 8.659 -8.522 1.00 0.00 O ATOM 953 OE2 GLU A 73 2.440 9.171 -8.817 1.00 0.00 O ATOM 0 H GLU A 73 3.273 7.009 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 73 0.996 8.559 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.142 8.894 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.642 9.754 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.942 7.961 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.514 6.956 -6.886 1.00 0.00 H new ATOM 960 N GLU A 74 1.352 5.625 -4.943 1.00 0.00 N ATOM 961 CA GLU A 74 0.697 4.295 -5.054 1.00 0.00 C ATOM 962 C GLU A 74 1.725 3.219 -4.740 1.00 0.00 C ATOM 963 O GLU A 74 2.906 3.383 -4.963 1.00 0.00 O ATOM 964 CB GLU A 74 0.192 4.105 -6.496 1.00 0.00 C ATOM 965 CG GLU A 74 -0.101 2.608 -6.743 1.00 0.00 C ATOM 966 CD GLU A 74 -0.546 2.385 -8.196 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.434 3.336 -8.954 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.969 1.272 -8.471 1.00 0.00 O ATOM 0 H GLU A 74 2.330 5.657 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.140 4.227 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.710 4.695 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.939 4.463 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.790 2.017 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.879 2.265 -6.061 1.00 0.00 H new ATOM 975 N VAL A 75 1.257 2.130 -4.216 1.00 0.00 N ATOM 976 CA VAL A 75 2.205 1.029 -3.911 1.00 0.00 C ATOM 977 C VAL A 75 1.829 -0.147 -4.788 1.00 0.00 C ATOM 978 O VAL A 75 0.694 -0.580 -4.775 1.00 0.00 O ATOM 979 CB VAL A 75 2.088 0.666 -2.440 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.730 -0.704 -2.191 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.846 1.720 -1.657 1.00 0.00 C ATOM 0 H VAL A 75 0.279 1.953 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 75 3.236 1.322 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 75 1.042 0.623 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.644 -0.960 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.221 -1.459 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.783 -0.669 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.786 1.495 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.890 1.724 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.407 2.700 -1.846 1.00 0.00 H new ATOM 991 N GLU A 76 2.776 -0.578 -5.573 1.00 0.00 N ATOM 992 CA GLU A 76 2.493 -1.735 -6.472 1.00 0.00 C ATOM 993 C GLU A 76 3.400 -2.916 -6.108 1.00 0.00 C ATOM 994 O GLU A 76 4.596 -2.841 -6.275 1.00 0.00 O ATOM 995 CB GLU A 76 2.760 -1.284 -7.914 1.00 0.00 C ATOM 996 CG GLU A 76 1.943 -0.005 -8.177 1.00 0.00 C ATOM 997 CD GLU A 76 2.359 0.636 -9.510 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.198 0.041 -10.163 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.809 1.687 -9.794 1.00 0.00 O ATOM 0 H GLU A 76 3.717 -0.189 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 76 1.458 -2.059 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.823 -1.093 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.476 -2.068 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.880 -0.244 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.095 0.704 -7.363 1.00 0.00 H new ATOM 1006 N VAL A 77 2.818 -3.987 -5.633 1.00 0.00 N ATOM 1007 CA VAL A 77 3.643 -5.172 -5.245 1.00 0.00 C ATOM 1008 C VAL A 77 3.499 -6.198 -6.372 1.00 0.00 C ATOM 1009 O VAL A 77 2.394 -6.585 -6.691 1.00 0.00 O ATOM 1010 CB VAL A 77 3.108 -5.733 -3.893 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.921 -4.577 -2.899 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.750 -6.399 -4.092 1.00 0.00 C ATOM 0 H VAL A 77 1.813 -4.093 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 77 4.695 -4.919 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 77 3.827 -6.460 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.547 -4.968 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.877 -4.081 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.206 -3.861 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.391 -6.785 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.039 -5.668 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.848 -7.220 -4.802 1.00 0.00 H new ATOM 1022 N ARG A 78 4.598 -6.647 -6.926 1.00 0.00 N ATOM 1023 CA ARG A 78 4.494 -7.610 -8.064 1.00 0.00 C ATOM 1024 C ARG A 78 4.782 -8.998 -7.527 1.00 0.00 C ATOM 1025 O ARG A 78 5.712 -9.660 -7.941 1.00 0.00 O ATOM 1026 CB ARG A 78 5.540 -7.241 -9.128 1.00 0.00 C ATOM 1027 CG ARG A 78 5.889 -5.758 -8.990 1.00 0.00 C ATOM 1028 CD ARG A 78 4.600 -4.943 -9.090 1.00 0.00 C ATOM 1029 NE ARG A 78 4.404 -4.540 -10.511 1.00 0.00 N ATOM 1030 CZ ARG A 78 3.962 -3.340 -10.760 1.00 0.00 C ATOM 1031 NH1 ARG A 78 2.750 -3.194 -11.222 1.00 0.00 N ATOM 1032 NH2 ARG A 78 4.733 -2.319 -10.511 1.00 0.00 N ATOM 0 H ARG A 78 5.546 -6.394 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 78 3.501 -7.577 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.435 -7.851 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.151 -7.445 -10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.381 -5.572 -8.035 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.587 -5.459 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.751 -5.533 -8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.659 -4.062 -8.451 1.00 0.00 H new ATOM 0 HE ARG A 78 4.611 -5.188 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.164 -4.013 -11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.389 -2.261 -11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.666 -2.466 -10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.403 -1.373 -10.700 1.00 0.00 H new ATOM 1046 N ASP A 79 3.984 -9.378 -6.572 1.00 0.00 N ATOM 1047 CA ASP A 79 4.189 -10.704 -5.949 1.00 0.00 C ATOM 1048 C ASP A 79 2.941 -11.166 -5.210 1.00 0.00 C ATOM 1049 O ASP A 79 2.545 -12.310 -5.304 1.00 0.00 O ATOM 1050 CB ASP A 79 5.368 -10.606 -4.969 1.00 0.00 C ATOM 1051 CG ASP A 79 5.367 -9.281 -4.185 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.343 -8.619 -4.196 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.409 -9.005 -3.611 1.00 0.00 O ATOM 0 H ASP A 79 3.207 -8.831 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 79 4.401 -11.434 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.326 -11.440 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.304 -10.699 -5.520 1.00 0.00 H new ATOM 1058 N SER A 80 2.316 -10.243 -4.527 1.00 0.00 N ATOM 1059 CA SER A 80 1.125 -10.615 -3.720 1.00 0.00 C ATOM 1060 C SER A 80 1.638 -11.735 -2.805 1.00 0.00 C ATOM 1061 O SER A 80 1.515 -12.912 -3.083 1.00 0.00 O ATOM 1062 CB SER A 80 -0.018 -11.062 -4.659 1.00 0.00 C ATOM 1063 OG SER A 80 0.017 -12.479 -4.662 1.00 0.00 O ATOM 0 H SER A 80 2.578 -9.258 -4.495 1.00 0.00 H new ATOM 0 HA SER A 80 0.705 -9.799 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.981 -10.695 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.124 -10.665 -5.664 1.00 0.00 H new ATOM 0 HG SER A 80 -0.782 -12.825 -5.112 1.00 0.00 H new ATOM 1069 N ILE A 81 2.241 -11.311 -1.730 1.00 0.00 N ATOM 1070 CA ILE A 81 2.843 -12.279 -0.774 1.00 0.00 C ATOM 1071 C ILE A 81 2.101 -12.238 0.561 1.00 0.00 C ATOM 1072 O ILE A 81 1.275 -11.377 0.784 1.00 0.00 O ATOM 1073 CB ILE A 81 4.319 -11.881 -0.574 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.502 -10.379 -0.897 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.181 -12.705 -1.538 1.00 0.00 C ATOM 1076 CD1 ILE A 81 5.927 -9.963 -0.521 1.00 0.00 C ATOM 0 H ILE A 81 2.343 -10.330 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 81 2.770 -13.294 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 81 4.615 -12.068 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.323 -10.196 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.776 -9.783 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.229 -12.436 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.050 -13.766 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.877 -12.500 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.068 -8.905 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.087 -10.134 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.642 -10.553 -1.094 1.00 0.00 H new ATOM 1088 N PRO A 82 2.430 -13.167 1.420 1.00 0.00 N ATOM 1089 CA PRO A 82 2.036 -13.100 2.843 1.00 0.00 C ATOM 1090 C PRO A 82 2.150 -11.665 3.359 1.00 0.00 C ATOM 1091 O PRO A 82 1.363 -11.225 4.173 1.00 0.00 O ATOM 1092 CB PRO A 82 3.004 -14.052 3.553 1.00 0.00 C ATOM 1093 CG PRO A 82 3.634 -14.955 2.448 1.00 0.00 C ATOM 1094 CD PRO A 82 3.279 -14.335 1.080 1.00 0.00 C ATOM 0 HA PRO A 82 0.999 -13.389 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.776 -13.495 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.480 -14.656 4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.715 -15.014 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.249 -15.972 2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.174 -14.032 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.746 -15.045 0.447 1.00 0.00 H new ATOM 1102 N ALA A 83 3.131 -10.962 2.865 1.00 0.00 N ATOM 1103 CA ALA A 83 3.306 -9.551 3.302 1.00 0.00 C ATOM 1104 C ALA A 83 1.986 -8.789 3.165 1.00 0.00 C ATOM 1105 O ALA A 83 1.584 -8.069 4.057 1.00 0.00 O ATOM 1106 CB ALA A 83 4.366 -8.892 2.422 1.00 0.00 C ATOM 0 H ALA A 83 3.812 -11.300 2.185 1.00 0.00 H new ATOM 0 HA ALA A 83 3.617 -9.530 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.504 -7.856 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.309 -9.430 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.043 -8.919 1.381 1.00 0.00 H new ATOM 1112 N ASP A 84 1.333 -8.986 2.050 1.00 0.00 N ATOM 1113 CA ASP A 84 0.043 -8.287 1.808 1.00 0.00 C ATOM 1114 C ASP A 84 -1.137 -8.983 2.505 1.00 0.00 C ATOM 1115 O ASP A 84 -2.218 -9.089 1.959 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.172 -8.248 0.296 1.00 0.00 C ATOM 1117 CG ASP A 84 1.119 -7.744 -0.357 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.386 -6.564 -0.204 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.769 -8.586 -0.954 1.00 0.00 O ATOM 0 H ASP A 84 1.640 -9.602 1.297 1.00 0.00 H new ATOM 0 HA ASP A 84 0.089 -7.282 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.425 -9.240 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.006 -7.591 0.047 1.00 0.00 H new ATOM 1124 N SER A 85 -0.868 -9.547 3.651 1.00 0.00 N ATOM 1125 CA SER A 85 -1.954 -10.193 4.440 1.00 0.00 C ATOM 1126 C SER A 85 -2.425 -9.220 5.534 1.00 0.00 C ATOM 1127 O SER A 85 -2.197 -9.461 6.703 1.00 0.00 O ATOM 1128 CB SER A 85 -1.407 -11.475 5.077 1.00 0.00 C ATOM 1129 OG SER A 85 -0.372 -11.016 5.935 1.00 0.00 O ATOM 0 H SER A 85 0.059 -9.588 4.075 1.00 0.00 H new ATOM 0 HA SER A 85 -2.797 -10.441 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.180 -12.006 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.025 -12.164 4.324 1.00 0.00 H new ATOM 0 HG SER A 85 0.477 -11.005 5.446 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.069 -8.145 5.161 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.509 -7.186 6.218 1.00 0.00 C ATOM 1137 C GLY A 86 -4.078 -5.892 5.626 1.00 0.00 C ATOM 1138 O GLY A 86 -4.520 -5.850 4.494 1.00 0.00 O ATOM 0 H GLY A 86 -3.304 -7.894 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.265 -7.660 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.664 -6.947 6.864 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.041 -4.839 6.398 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.605 -3.571 5.862 1.00 0.00 C ATOM 1144 C LEU A 87 -3.502 -2.617 5.407 1.00 0.00 C ATOM 1145 O LEU A 87 -2.565 -2.342 6.128 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.440 -2.898 6.958 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.509 -3.883 7.453 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.228 -3.264 8.653 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.533 -4.116 6.337 1.00 0.00 C ATOM 0 H LEU A 87 -3.659 -4.801 7.343 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.225 -3.806 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.799 -2.593 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.912 -1.995 6.570 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.042 -4.827 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.991 -3.953 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.508 -3.069 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.698 -2.328 8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.295 -4.815 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.003 -3.169 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.031 -4.530 5.463 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.635 -2.150 4.197 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.643 -1.188 3.659 1.00 0.00 C ATOM 1163 C TYR A 88 -3.364 0.137 3.572 1.00 0.00 C ATOM 1164 O TYR A 88 -4.070 0.420 2.628 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.207 -1.616 2.275 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.221 -2.758 2.449 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.663 -3.993 2.862 1.00 0.00 C ATOM 1168 CD2 TYR A 88 0.123 -2.558 2.231 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.774 -5.025 3.055 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.017 -3.584 2.429 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.578 -4.826 2.842 1.00 0.00 C ATOM 1172 OH TYR A 88 1.482 -5.848 3.040 1.00 0.00 O ATOM 0 H TYR A 88 -4.391 -2.396 3.558 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.756 -1.131 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.065 -1.935 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.744 -0.785 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.717 -4.154 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.477 -1.592 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.133 -5.993 3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.071 -3.417 2.260 1.00 0.00 H new ATOM 0 HH TYR A 88 1.197 -6.393 3.803 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.169 0.925 4.582 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.862 2.242 4.599 1.00 0.00 C ATOM 1184 C ALA A 89 -2.842 3.292 4.190 1.00 0.00 C ATOM 1185 O ALA A 89 -1.725 3.277 4.664 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.364 2.512 6.020 1.00 0.00 C ATOM 0 H ALA A 89 -2.572 0.725 5.385 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.713 2.261 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.875 3.475 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.057 1.725 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.518 2.529 6.707 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.203 4.196 3.325 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.161 5.184 2.949 1.00 0.00 C ATOM 1194 C CYS A 90 -2.332 6.433 3.776 1.00 0.00 C ATOM 1195 O CYS A 90 -3.440 6.824 4.076 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.284 5.573 1.488 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.494 7.136 1.037 1.00 0.00 S ATOM 0 H CYS A 90 -4.118 4.293 2.885 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.186 4.728 3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.853 4.778 0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.342 5.632 1.232 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.219 7.003 4.133 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.258 8.253 4.926 1.00 0.00 C ATOM 1204 C VAL A 91 -0.579 9.333 4.099 1.00 0.00 C ATOM 1205 O VAL A 91 0.619 9.318 3.900 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.498 8.051 6.229 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -0.560 9.345 7.048 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.161 6.933 7.026 1.00 0.00 C ATOM 0 H VAL A 91 -0.286 6.656 3.909 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.284 8.534 5.162 1.00 0.00 H new ATOM 0 HB VAL A 91 0.539 7.792 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.018 9.210 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.106 10.157 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.600 9.590 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.621 6.783 7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.194 7.204 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.142 6.011 6.445 1.00 0.00 H new ATOM 1218 N THR A 92 -1.395 10.217 3.611 1.00 0.00 N ATOM 1219 CA THR A 92 -0.878 11.343 2.792 1.00 0.00 C ATOM 1220 C THR A 92 -0.610 12.422 3.828 1.00 0.00 C ATOM 1221 O THR A 92 -1.459 12.677 4.656 1.00 0.00 O ATOM 1222 CB THR A 92 -1.965 11.780 1.793 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.019 12.298 2.592 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.596 10.563 1.113 1.00 0.00 C ATOM 0 H THR A 92 -2.406 10.209 3.745 1.00 0.00 H new ATOM 0 HA THR A 92 0.007 11.105 2.203 1.00 0.00 H new ATOM 0 HB THR A 92 -1.536 12.463 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.781 12.219 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.361 10.894 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.827 10.007 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.049 9.919 1.867 1.00 0.00 H new ATOM 1232 N SER A 93 0.573 12.967 3.833 1.00 0.00 N ATOM 1233 CA SER A 93 0.877 13.996 4.860 1.00 0.00 C ATOM 1234 C SER A 93 1.477 15.261 4.258 1.00 0.00 C ATOM 1235 O SER A 93 2.215 15.223 3.289 1.00 0.00 O ATOM 1236 CB SER A 93 1.866 13.397 5.871 1.00 0.00 C ATOM 1237 OG SER A 93 1.364 12.094 6.142 1.00 0.00 O ATOM 0 H SER A 93 1.329 12.749 3.183 1.00 0.00 H new ATOM 0 HA SER A 93 -0.059 14.280 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.875 13.355 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.916 13.998 6.779 1.00 0.00 H new ATOM 0 HG SER A 93 0.482 12.164 6.563 1.00 0.00 H new ATOM 1243 N SER A 94 1.058 16.332 4.879 1.00 0.00 N ATOM 1244 CA SER A 94 1.498 17.708 4.526 1.00 0.00 C ATOM 1245 C SER A 94 1.890 18.359 5.855 1.00 0.00 C ATOM 1246 O SER A 94 1.511 17.875 6.901 1.00 0.00 O ATOM 1247 CB SER A 94 0.311 18.478 3.939 1.00 0.00 C ATOM 1248 OG SER A 94 -0.437 17.491 3.244 1.00 0.00 O ATOM 0 H SER A 94 0.396 16.302 5.654 1.00 0.00 H new ATOM 0 HA SER A 94 2.314 17.705 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.283 18.950 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.643 19.271 3.269 1.00 0.00 H new ATOM 0 HG SER A 94 -1.355 17.809 3.112 1.00 0.00 H new ATOM 1254 N PRO A 95 2.566 19.473 5.786 1.00 0.00 N ATOM 1255 CA PRO A 95 3.513 19.893 6.844 1.00 0.00 C ATOM 1256 C PRO A 95 2.917 19.801 8.259 1.00 0.00 C ATOM 1257 O PRO A 95 3.647 19.709 9.226 1.00 0.00 O ATOM 1258 CB PRO A 95 3.874 21.342 6.494 1.00 0.00 C ATOM 1259 CG PRO A 95 3.340 21.613 5.056 1.00 0.00 C ATOM 1260 CD PRO A 95 2.400 20.449 4.684 1.00 0.00 C ATOM 0 HA PRO A 95 4.381 19.234 6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.426 22.034 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.953 21.492 6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.807 22.563 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.165 21.681 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.366 20.784 4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.670 20.012 3.723 1.00 0.00 H new ATOM 1268 N SER A 96 1.613 19.821 8.359 1.00 0.00 N ATOM 1269 CA SER A 96 0.984 19.747 9.716 1.00 0.00 C ATOM 1270 C SER A 96 -0.420 19.129 9.664 1.00 0.00 C ATOM 1271 O SER A 96 -1.279 19.465 10.455 1.00 0.00 O ATOM 1272 CB SER A 96 0.882 21.167 10.286 1.00 0.00 C ATOM 1273 OG SER A 96 2.221 21.511 10.613 1.00 0.00 O ATOM 0 H SER A 96 0.964 19.884 7.575 1.00 0.00 H new ATOM 0 HA SER A 96 1.606 19.112 10.346 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.460 21.859 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.238 21.198 11.165 1.00 0.00 H new ATOM 0 HG SER A 96 2.804 20.738 10.462 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.621 18.238 8.733 1.00 0.00 N ATOM 1280 CA GLY A 97 -1.957 17.585 8.610 1.00 0.00 C ATOM 1281 C GLY A 97 -1.834 16.278 7.826 1.00 0.00 C ATOM 1282 O GLY A 97 -0.941 16.130 7.016 1.00 0.00 O ATOM 0 H GLY A 97 0.077 17.934 8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.366 17.386 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.653 18.256 8.106 1.00 0.00 H new ATOM 1286 N SER A 98 -2.745 15.371 8.061 1.00 0.00 N ATOM 1287 CA SER A 98 -2.669 14.072 7.333 1.00 0.00 C ATOM 1288 C SER A 98 -4.053 13.547 6.927 1.00 0.00 C ATOM 1289 O SER A 98 -5.056 13.852 7.542 1.00 0.00 O ATOM 1290 CB SER A 98 -1.989 13.056 8.253 1.00 0.00 C ATOM 1291 OG SER A 98 -1.307 12.184 7.363 1.00 0.00 O ATOM 0 H SER A 98 -3.524 15.470 8.712 1.00 0.00 H new ATOM 0 HA SER A 98 -2.103 14.222 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.298 13.542 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.717 12.517 8.859 1.00 0.00 H new ATOM 0 HG SER A 98 -1.465 12.471 6.439 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.050 12.762 5.884 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.310 12.153 5.362 1.00 0.00 C ATOM 1299 C ASP A 99 -5.045 10.662 5.180 1.00 0.00 C ATOM 1300 O ASP A 99 -4.040 10.299 4.603 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.643 12.765 3.994 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.141 12.604 3.726 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.892 13.207 4.476 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.448 11.886 2.789 1.00 0.00 O ATOM 0 H ASP A 99 -3.211 12.512 5.361 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.139 12.330 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.369 13.820 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.066 12.273 3.211 1.00 0.00 H new ATOM 1309 N THR A 100 -5.928 9.826 5.649 1.00 0.00 N ATOM 1310 CA THR A 100 -5.652 8.373 5.484 1.00 0.00 C ATOM 1311 C THR A 100 -6.739 7.623 4.711 1.00 0.00 C ATOM 1312 O THR A 100 -7.916 7.913 4.785 1.00 0.00 O ATOM 1313 CB THR A 100 -5.485 7.750 6.864 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.483 8.538 7.492 1.00 0.00 O ATOM 1315 CG2 THR A 100 -4.854 6.359 6.757 1.00 0.00 C ATOM 0 H THR A 100 -6.797 10.072 6.122 1.00 0.00 H new ATOM 0 HA THR A 100 -4.742 8.284 4.891 1.00 0.00 H new ATOM 0 HB THR A 100 -6.447 7.697 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.318 8.197 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.744 5.932 7.754 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.494 5.714 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.874 6.439 6.286 1.00 0.00 H new ATOM 1323 N THR A 101 -6.248 6.662 3.984 1.00 0.00 N ATOM 1324 CA THR A 101 -7.097 5.779 3.130 1.00 0.00 C ATOM 1325 C THR A 101 -6.897 4.320 3.569 1.00 0.00 C ATOM 1326 O THR A 101 -5.886 4.016 4.170 1.00 0.00 O ATOM 1327 CB THR A 101 -6.602 5.943 1.690 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.060 4.671 1.365 1.00 0.00 O ATOM 1329 CG2 THR A 101 -5.392 6.870 1.629 1.00 0.00 C ATOM 0 H THR A 101 -5.253 6.442 3.944 1.00 0.00 H new ATOM 0 HA THR A 101 -8.152 6.038 3.215 1.00 0.00 H new ATOM 0 HB THR A 101 -7.406 6.316 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.964 4.595 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.061 6.969 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.665 7.851 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.584 6.454 2.230 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.816 3.439 3.255 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.588 2.021 3.679 1.00 0.00 C ATOM 1339 C TYR A 102 -7.757 0.997 2.548 1.00 0.00 C ATOM 1340 O TYR A 102 -8.848 0.674 2.124 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.558 1.656 4.797 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.772 2.864 5.699 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.745 3.776 5.379 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -8.020 3.046 6.835 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.984 4.866 6.183 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -8.248 4.141 7.648 1.00 0.00 C ATOM 1347 CZ TYR A 102 -9.233 5.058 7.328 1.00 0.00 C ATOM 1348 OH TYR A 102 -9.462 6.151 8.137 1.00 0.00 O ATOM 0 H TYR A 102 -8.679 3.627 2.745 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.550 1.974 4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.509 1.330 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.164 0.821 5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.332 3.636 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.251 2.333 7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.758 5.572 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.653 4.281 8.539 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.846 6.129 8.899 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.650 0.522 2.056 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.695 -0.511 0.993 1.00 0.00 C ATOM 1360 C PHE A 103 -6.613 -1.850 1.708 1.00 0.00 C ATOM 1361 O PHE A 103 -5.576 -2.195 2.236 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.457 -0.422 0.093 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.337 0.963 -0.526 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -4.853 2.020 0.216 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.713 1.164 -1.837 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -4.748 3.270 -0.347 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.614 2.418 -2.402 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.134 3.471 -1.651 1.00 0.00 C ATOM 0 H PHE A 103 -5.714 0.806 2.346 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.593 -0.384 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.562 -0.644 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.520 -1.173 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.555 1.865 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.086 0.337 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.362 4.094 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.911 2.575 -3.428 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.061 4.456 -2.089 1.00 0.00 H new ATOM 1378 N SER A 104 -7.684 -2.582 1.785 1.00 0.00 N ATOM 1379 CA SER A 104 -7.503 -3.892 2.465 1.00 0.00 C ATOM 1380 C SER A 104 -6.844 -4.793 1.424 1.00 0.00 C ATOM 1381 O SER A 104 -7.357 -4.967 0.339 1.00 0.00 O ATOM 1382 CB SER A 104 -8.863 -4.457 2.863 1.00 0.00 C ATOM 1383 OG SER A 104 -9.461 -3.412 3.614 1.00 0.00 O ATOM 0 H SER A 104 -8.615 -2.356 1.435 1.00 0.00 H new ATOM 0 HA SER A 104 -6.903 -3.810 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.461 -4.713 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.760 -5.366 3.455 1.00 0.00 H new ATOM 0 HG SER A 104 -10.340 -3.200 3.237 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.699 -5.327 1.746 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.025 -6.194 0.743 1.00 0.00 C ATOM 1391 C VAL A 105 -4.725 -7.527 1.410 1.00 0.00 C ATOM 1392 O VAL A 105 -4.058 -7.601 2.424 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.722 -5.523 0.257 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.858 -4.004 0.374 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.560 -5.993 1.119 1.00 0.00 C ATOM 0 H VAL A 105 -5.213 -5.206 2.634 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.665 -6.347 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.539 -5.794 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.939 -3.529 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.692 -3.665 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.040 -3.734 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.639 -5.520 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.744 -5.720 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.463 -7.076 1.040 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.303 -8.552 0.862 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.058 -9.898 1.445 1.00 0.00 C ATOM 1407 C ASN A 106 -4.573 -10.891 0.393 1.00 0.00 C ATOM 1408 O ASN A 106 -5.186 -11.095 -0.635 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.360 -10.386 2.097 1.00 0.00 C ATOM 1410 CG ASN A 106 -6.728 -11.777 1.572 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -6.061 -12.756 1.843 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -7.780 -11.905 0.812 1.00 0.00 N ATOM 0 H ASN A 106 -5.923 -8.522 0.052 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.268 -9.826 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.243 -10.418 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.167 -9.684 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.038 -12.823 0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.344 -11.088 0.581 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.423 -11.442 0.656 1.00 0.00 N ATOM 1420 CA VAL A 107 -2.874 -12.458 -0.283 1.00 0.00 C ATOM 1421 C VAL A 107 -3.006 -13.837 0.361 1.00 0.00 C ATOM 1422 O VAL A 107 -2.464 -14.083 1.420 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.412 -12.135 -0.545 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.730 -13.376 -1.134 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.356 -11.009 -1.577 1.00 0.00 C ATOM 0 H VAL A 107 -2.845 -11.237 1.471 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.418 -12.450 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.912 -11.839 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.320 -13.157 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.805 -14.202 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.220 -13.652 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.316 -10.757 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.841 -11.335 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.871 -10.132 -1.186 1.00 0.00 H new ATOM 1435 N SER A 108 -3.720 -14.708 -0.299 1.00 0.00 N ATOM 1436 CA SER A 108 -3.907 -16.071 0.285 1.00 0.00 C ATOM 1437 C SER A 108 -4.241 -17.117 -0.777 1.00 0.00 C ATOM 1438 O SER A 108 -4.254 -16.835 -1.959 1.00 0.00 O ATOM 1439 CB SER A 108 -5.055 -16.018 1.300 1.00 0.00 C ATOM 1440 OG SER A 108 -4.608 -15.090 2.278 1.00 0.00 O ATOM 0 H SER A 108 -4.174 -14.543 -1.198 1.00 0.00 H new ATOM 0 HA SER A 108 -2.969 -16.363 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.984 -15.690 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.246 -16.998 1.738 1.00 0.00 H new ATOM 0 HG SER A 108 -5.089 -14.243 2.169 1.00 0.00 H new TER 1446 SER A 108