USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 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 52 SER OG : rot 180:sc= 0.171 USER MOD Set 1.2: A 93 SER OG : rot 109:sc= 0.642 USER MOD Set 2.1: A 31 SER OG : rot -57:sc= 1.24 USER MOD Set 2.2: A 104 SER OG : rot -118:sc= 2.26 USER MOD Single : A 15 THR OG1 : rot -170:sc= 0.447 USER MOD Single : A 19 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.6!) USER MOD Single : A 21 GLN : amide:sc= 1.55 K(o=1.5,f=-3.9!) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.654 F(o=-1.8,f=-0.65) USER MOD Single : A 41 GLN :FLIP amide:sc= -7.01! C(o=-8.4!,f=-7!) USER MOD Single : A 51 GLN : amide:sc= -2.19! C(o=-2.2!,f=-5.8!) USER MOD Single : A 54 ASN : amide:sc= -0.0872 K(o=-0.087,f=-1.8) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.72! C(o=-8.1!,f=-3.7!) USER MOD Single : A 65 SER OG : rot 55:sc= 0.243 USER MOD Single : A 66 ASN : amide:sc= -2.84! C(o=-2.8!,f=-15!) USER MOD Single : A 68 THR OG1 : rot 19:sc= -0.479 USER MOD Single : A 71 THR OG1 : rot 110:sc= 1.1 USER MOD Single : A 80 SER OG : rot -102:sc= 0.158 USER MOD Single : A 85 SER OG : rot -95:sc= 1.06 USER MOD Single : A 88 TYR OH : rot 163:sc= 1.05 USER MOD Single : A 92 THR OG1 : rot 30:sc= 0.505! USER MOD Single : A 94 SER OG : rot 180:sc= 0.266 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 101 THR OG1 : rot 156:sc= -2.85! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.67 K(o=-2.7,f=-11!) USER MOD Single : A 108 SER OG : rot -52:sc= 0.637 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 14 -3.375 21.576 -6.376 1.00 0.00 N ATOM 2 CA PRO A 14 -3.607 20.168 -6.778 1.00 0.00 C ATOM 3 C PRO A 14 -4.194 19.333 -5.633 1.00 0.00 C ATOM 4 O PRO A 14 -3.475 18.678 -4.905 1.00 0.00 O ATOM 5 CB PRO A 14 -2.224 19.643 -7.185 1.00 0.00 C ATOM 6 CG PRO A 14 -1.181 20.691 -6.703 1.00 0.00 C ATOM 7 CD PRO A 14 -1.949 21.979 -6.351 1.00 0.00 C ATOM 0 HA PRO A 14 -4.334 20.100 -7.588 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.032 18.671 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.165 19.508 -8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.637 20.319 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.444 20.885 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.660 22.358 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.747 22.772 -7.072 1.00 0.00 H new ATOM 15 N THR A 15 -5.492 19.378 -5.503 1.00 0.00 N ATOM 16 CA THR A 15 -6.160 18.593 -4.423 1.00 0.00 C ATOM 17 C THR A 15 -6.996 17.474 -5.058 1.00 0.00 C ATOM 18 O THR A 15 -8.074 17.709 -5.567 1.00 0.00 O ATOM 19 CB THR A 15 -7.043 19.557 -3.601 1.00 0.00 C ATOM 20 OG1 THR A 15 -7.797 18.724 -2.730 1.00 0.00 O ATOM 21 CG2 THR A 15 -8.093 20.254 -4.477 1.00 0.00 C ATOM 0 H THR A 15 -6.118 19.923 -6.096 1.00 0.00 H new ATOM 0 HA THR A 15 -5.427 18.132 -3.761 1.00 0.00 H new ATOM 0 HB THR A 15 -6.410 20.302 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.492 19.256 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.694 20.924 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.593 20.829 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.739 19.505 -4.936 1.00 0.00 H new ATOM 29 N LEU A 16 -6.472 16.277 -5.028 1.00 0.00 N ATOM 30 CA LEU A 16 -7.204 15.131 -5.631 1.00 0.00 C ATOM 31 C LEU A 16 -7.314 14.021 -4.581 1.00 0.00 C ATOM 32 O LEU A 16 -6.357 13.318 -4.311 1.00 0.00 O ATOM 33 CB LEU A 16 -6.413 14.623 -6.842 1.00 0.00 C ATOM 34 CG LEU A 16 -6.151 15.794 -7.801 1.00 0.00 C ATOM 35 CD1 LEU A 16 -4.830 16.478 -7.418 1.00 0.00 C ATOM 36 CD2 LEU A 16 -6.026 15.246 -9.226 1.00 0.00 C ATOM 0 H LEU A 16 -5.570 16.046 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.201 15.435 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.469 14.185 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.970 13.837 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.970 16.511 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.641 17.310 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.897 16.851 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.014 15.759 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.840 16.068 -9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.198 14.538 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.951 14.741 -9.504 1.00 0.00 H new ATOM 48 N PRO A 17 -8.474 13.948 -3.980 1.00 0.00 N ATOM 49 CA PRO A 17 -8.755 12.980 -2.898 1.00 0.00 C ATOM 50 C PRO A 17 -8.975 11.569 -3.449 1.00 0.00 C ATOM 51 O PRO A 17 -8.602 10.595 -2.826 1.00 0.00 O ATOM 52 CB PRO A 17 -10.033 13.498 -2.230 1.00 0.00 C ATOM 53 CG PRO A 17 -10.638 14.574 -3.179 1.00 0.00 C ATOM 54 CD PRO A 17 -9.594 14.874 -4.273 1.00 0.00 C ATOM 0 HA PRO A 17 -7.919 12.905 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.740 12.685 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.811 13.927 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.565 14.214 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.882 15.480 -2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.002 14.701 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.269 15.914 -4.237 1.00 0.00 H new ATOM 62 N GLU A 18 -9.584 11.489 -4.602 1.00 0.00 N ATOM 63 CA GLU A 18 -9.837 10.144 -5.192 1.00 0.00 C ATOM 64 C GLU A 18 -9.001 9.912 -6.454 1.00 0.00 C ATOM 65 O GLU A 18 -9.492 9.416 -7.449 1.00 0.00 O ATOM 66 CB GLU A 18 -11.326 10.025 -5.531 1.00 0.00 C ATOM 67 CG GLU A 18 -11.719 11.160 -6.487 1.00 0.00 C ATOM 68 CD GLU A 18 -13.200 11.035 -6.866 1.00 0.00 C ATOM 69 OE1 GLU A 18 -13.834 10.137 -6.332 1.00 0.00 O ATOM 70 OE2 GLU A 18 -13.614 11.852 -7.671 1.00 0.00 O ATOM 0 H GLU A 18 -9.912 12.283 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.549 9.387 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.530 9.058 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.924 10.077 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.536 12.125 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.101 11.122 -7.384 1.00 0.00 H new ATOM 77 N GLN A 19 -7.750 10.274 -6.379 1.00 0.00 N ATOM 78 CA GLN A 19 -6.855 10.057 -7.552 1.00 0.00 C ATOM 79 C GLN A 19 -6.214 8.686 -7.340 1.00 0.00 C ATOM 80 O GLN A 19 -5.010 8.523 -7.386 1.00 0.00 O ATOM 81 CB GLN A 19 -5.782 11.151 -7.562 1.00 0.00 C ATOM 82 CG GLN A 19 -5.354 11.433 -9.009 1.00 0.00 C ATOM 83 CD GLN A 19 -4.663 10.197 -9.590 1.00 0.00 C ATOM 84 OE1 GLN A 19 -5.299 9.233 -9.968 1.00 0.00 O ATOM 85 NE2 GLN A 19 -3.360 10.185 -9.677 1.00 0.00 N ATOM 0 H GLN A 19 -7.312 10.706 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.391 10.096 -8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.170 12.060 -7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.921 10.837 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.224 11.693 -9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.678 12.288 -9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.820 10.991 -9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.882 9.370 -10.061 1.00 0.00 H new ATOM 94 N ALA A 20 -7.073 7.734 -7.105 1.00 0.00 N ATOM 95 CA ALA A 20 -6.613 6.344 -6.841 1.00 0.00 C ATOM 96 C ALA A 20 -7.236 5.344 -7.819 1.00 0.00 C ATOM 97 O ALA A 20 -7.382 5.616 -8.994 1.00 0.00 O ATOM 98 CB ALA A 20 -7.047 5.996 -5.422 1.00 0.00 C ATOM 0 H ALA A 20 -8.085 7.862 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.532 6.287 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.730 4.981 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.590 6.694 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.132 6.064 -5.346 1.00 0.00 H new ATOM 104 N GLN A 21 -7.586 4.201 -7.290 1.00 0.00 N ATOM 105 CA GLN A 21 -8.217 3.144 -8.128 1.00 0.00 C ATOM 106 C GLN A 21 -9.697 3.503 -8.303 1.00 0.00 C ATOM 107 O GLN A 21 -10.119 4.574 -7.914 1.00 0.00 O ATOM 108 CB GLN A 21 -8.076 1.809 -7.382 1.00 0.00 C ATOM 109 CG GLN A 21 -7.241 0.836 -8.223 1.00 0.00 C ATOM 110 CD GLN A 21 -6.182 0.192 -7.325 1.00 0.00 C ATOM 111 OE1 GLN A 21 -5.410 0.867 -6.675 1.00 0.00 O ATOM 112 NE2 GLN A 21 -6.094 -1.107 -7.262 1.00 0.00 N ATOM 0 H GLN A 21 -7.460 3.955 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.745 3.066 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.600 1.970 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.061 1.384 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.881 0.070 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.765 1.364 -9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.735 -1.688 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.384 -1.542 -6.673 1.00 0.00 H new ATOM 121 N PRO A 22 -10.444 2.614 -8.903 1.00 0.00 N ATOM 122 CA PRO A 22 -11.910 2.783 -9.028 1.00 0.00 C ATOM 123 C PRO A 22 -12.625 2.697 -7.672 1.00 0.00 C ATOM 124 O PRO A 22 -13.736 2.211 -7.592 1.00 0.00 O ATOM 125 CB PRO A 22 -12.359 1.645 -9.959 1.00 0.00 C ATOM 126 CG PRO A 22 -11.072 0.939 -10.473 1.00 0.00 C ATOM 127 CD PRO A 22 -9.909 1.413 -9.584 1.00 0.00 C ATOM 0 HA PRO A 22 -12.161 3.769 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.998 0.941 -9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.942 2.037 -10.792 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.180 -0.144 -10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.886 1.190 -11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -9.616 0.645 -8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -9.025 1.651 -10.176 1.00 0.00 H new ATOM 135 N TRP A 23 -11.985 3.171 -6.634 1.00 0.00 N ATOM 136 CA TRP A 23 -12.648 3.125 -5.299 1.00 0.00 C ATOM 137 C TRP A 23 -12.950 4.530 -4.791 1.00 0.00 C ATOM 138 O TRP A 23 -12.293 5.492 -5.133 1.00 0.00 O ATOM 139 CB TRP A 23 -11.738 2.433 -4.270 1.00 0.00 C ATOM 140 CG TRP A 23 -10.532 3.323 -3.933 1.00 0.00 C ATOM 141 CD1 TRP A 23 -9.296 3.146 -4.455 1.00 0.00 C ATOM 142 CD2 TRP A 23 -10.508 4.387 -3.100 1.00 0.00 C ATOM 143 NE1 TRP A 23 -8.590 4.119 -3.912 1.00 0.00 N ATOM 144 CE2 TRP A 23 -9.235 4.923 -3.081 1.00 0.00 C ATOM 145 CE3 TRP A 23 -11.503 4.960 -2.332 1.00 0.00 C ATOM 146 CZ2 TRP A 23 -8.958 6.033 -2.305 1.00 0.00 C ATOM 147 CZ3 TRP A 23 -11.228 6.070 -1.555 1.00 0.00 C ATOM 148 CH2 TRP A 23 -9.956 6.607 -1.543 1.00 0.00 C ATOM 0 H TRP A 23 -11.051 3.580 -6.651 1.00 0.00 H new ATOM 0 HA TRP A 23 -13.577 2.568 -5.418 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.303 2.217 -3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.393 1.478 -4.665 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -8.966 2.388 -5.151 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.600 4.245 -4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.498 4.540 -2.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.962 6.451 -2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -12.008 6.517 -0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.742 7.476 -0.938 1.00 0.00 H new ATOM 159 N GLY A 24 -13.966 4.587 -3.978 1.00 0.00 N ATOM 160 CA GLY A 24 -14.378 5.876 -3.369 1.00 0.00 C ATOM 161 C GLY A 24 -15.215 5.520 -2.144 1.00 0.00 C ATOM 162 O GLY A 24 -16.213 6.150 -1.857 1.00 0.00 O ATOM 0 H GLY A 24 -14.534 3.784 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.508 6.469 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.955 6.473 -4.075 1.00 0.00 H new ATOM 166 N VAL A 25 -14.771 4.507 -1.449 1.00 0.00 N ATOM 167 CA VAL A 25 -15.539 4.064 -0.246 1.00 0.00 C ATOM 168 C VAL A 25 -15.257 4.950 0.978 1.00 0.00 C ATOM 169 O VAL A 25 -14.120 5.227 1.308 1.00 0.00 O ATOM 170 CB VAL A 25 -15.162 2.607 0.057 1.00 0.00 C ATOM 171 CG1 VAL A 25 -13.703 2.539 0.514 1.00 0.00 C ATOM 172 CG2 VAL A 25 -16.057 2.084 1.183 1.00 0.00 C ATOM 0 H VAL A 25 -13.926 3.975 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.604 4.150 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.294 2.003 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.437 1.504 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.056 2.924 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.575 3.141 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.796 1.049 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.913 2.694 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.100 2.136 0.872 1.00 0.00 H new ATOM 182 N PRO A 26 -16.321 5.378 1.609 1.00 0.00 N ATOM 183 CA PRO A 26 -16.261 6.091 2.908 1.00 0.00 C ATOM 184 C PRO A 26 -16.197 5.108 4.084 1.00 0.00 C ATOM 185 O PRO A 26 -16.901 5.256 5.063 1.00 0.00 O ATOM 186 CB PRO A 26 -17.569 6.882 2.951 1.00 0.00 C ATOM 187 CG PRO A 26 -18.550 6.118 2.016 1.00 0.00 C ATOM 188 CD PRO A 26 -17.690 5.281 1.048 1.00 0.00 C ATOM 0 HA PRO A 26 -15.374 6.719 2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.960 6.939 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -17.419 7.906 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -19.214 5.476 2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -19.181 6.816 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.031 4.247 1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -17.734 5.675 0.033 1.00 0.00 H new ATOM 196 N VAL A 27 -15.349 4.125 3.958 1.00 0.00 N ATOM 197 CA VAL A 27 -15.212 3.117 5.048 1.00 0.00 C ATOM 198 C VAL A 27 -13.735 2.874 5.270 1.00 0.00 C ATOM 199 O VAL A 27 -13.197 3.074 6.340 1.00 0.00 O ATOM 200 CB VAL A 27 -15.897 1.815 4.620 1.00 0.00 C ATOM 201 CG1 VAL A 27 -15.814 0.807 5.772 1.00 0.00 C ATOM 202 CG2 VAL A 27 -17.373 2.102 4.325 1.00 0.00 C ATOM 0 H VAL A 27 -14.746 3.976 3.149 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.677 3.473 5.967 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.408 1.413 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.299 -0.123 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.768 0.612 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.315 1.215 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.869 1.181 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.854 2.493 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.448 2.837 3.524 1.00 0.00 H new ATOM 212 N GLU A 28 -13.130 2.439 4.208 1.00 0.00 N ATOM 213 CA GLU A 28 -11.678 2.170 4.235 1.00 0.00 C ATOM 214 C GLU A 28 -11.151 2.753 2.927 1.00 0.00 C ATOM 215 O GLU A 28 -10.773 3.906 2.850 1.00 0.00 O ATOM 216 CB GLU A 28 -11.484 0.647 4.315 1.00 0.00 C ATOM 217 CG GLU A 28 -11.642 0.230 5.787 1.00 0.00 C ATOM 218 CD GLU A 28 -11.333 -1.263 5.952 1.00 0.00 C ATOM 219 OE1 GLU A 28 -10.836 -1.829 4.993 1.00 0.00 O ATOM 220 OE2 GLU A 28 -11.607 -1.749 7.037 1.00 0.00 O ATOM 0 H GLU A 28 -13.586 2.257 3.314 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.151 2.609 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.218 0.135 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.499 0.367 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.971 0.819 6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.657 0.438 6.124 1.00 0.00 H new ATOM 227 N VAL A 29 -11.007 1.890 1.968 1.00 0.00 N ATOM 228 CA VAL A 29 -10.581 2.353 0.616 1.00 0.00 C ATOM 229 C VAL A 29 -10.833 1.307 -0.455 1.00 0.00 C ATOM 230 O VAL A 29 -11.703 1.433 -1.294 1.00 0.00 O ATOM 231 CB VAL A 29 -9.125 2.783 0.600 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.430 2.304 -0.671 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.109 4.315 0.564 1.00 0.00 C ATOM 0 H VAL A 29 -11.164 0.886 2.056 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.197 3.222 0.385 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.617 2.369 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.388 2.624 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.474 1.216 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.930 2.729 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.078 4.668 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.623 4.663 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.615 4.705 1.447 1.00 0.00 H new ATOM 243 N GLU A 30 -10.027 0.284 -0.376 1.00 0.00 N ATOM 244 CA GLU A 30 -10.127 -0.800 -1.388 1.00 0.00 C ATOM 245 C GLU A 30 -9.796 -2.174 -0.810 1.00 0.00 C ATOM 246 O GLU A 30 -8.657 -2.499 -0.543 1.00 0.00 O ATOM 247 CB GLU A 30 -9.155 -0.482 -2.526 1.00 0.00 C ATOM 248 CG GLU A 30 -9.358 -1.497 -3.657 1.00 0.00 C ATOM 249 CD GLU A 30 -8.407 -1.154 -4.808 1.00 0.00 C ATOM 250 OE1 GLU A 30 -7.214 -1.228 -4.564 1.00 0.00 O ATOM 251 OE2 GLU A 30 -8.930 -0.840 -5.865 1.00 0.00 O ATOM 0 H GLU A 30 -9.311 0.154 0.339 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.157 -0.842 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.325 0.530 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.127 -0.522 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.164 -2.507 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.392 -1.475 -4.003 1.00 0.00 H new ATOM 258 N SER A 31 -10.838 -2.924 -0.596 1.00 0.00 N ATOM 259 CA SER A 31 -10.668 -4.314 -0.081 1.00 0.00 C ATOM 260 C SER A 31 -10.581 -5.276 -1.274 1.00 0.00 C ATOM 261 O SER A 31 -11.570 -5.577 -1.911 1.00 0.00 O ATOM 262 CB SER A 31 -11.871 -4.700 0.779 1.00 0.00 C ATOM 263 OG SER A 31 -12.131 -3.538 1.552 1.00 0.00 O ATOM 0 H SER A 31 -11.804 -2.636 -0.755 1.00 0.00 H new ATOM 0 HA SER A 31 -9.761 -4.370 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.730 -4.971 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.649 -5.559 1.412 1.00 0.00 H new ATOM 0 HG SER A 31 -11.331 -3.301 2.066 1.00 0.00 H new ATOM 269 N LEU A 32 -9.386 -5.728 -1.542 1.00 0.00 N ATOM 270 CA LEU A 32 -9.182 -6.657 -2.692 1.00 0.00 C ATOM 271 C LEU A 32 -8.309 -7.868 -2.330 1.00 0.00 C ATOM 272 O LEU A 32 -7.357 -7.772 -1.580 1.00 0.00 O ATOM 273 CB LEU A 32 -8.513 -5.871 -3.826 1.00 0.00 C ATOM 274 CG LEU A 32 -8.290 -6.795 -5.031 1.00 0.00 C ATOM 275 CD1 LEU A 32 -9.647 -7.250 -5.579 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.559 -6.008 -6.124 1.00 0.00 C ATOM 0 H LEU A 32 -8.543 -5.495 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.155 -7.046 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.138 -5.026 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.561 -5.463 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.703 -7.662 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.492 -7.907 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.191 -7.788 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.225 -6.379 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.393 -6.652 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.163 -5.151 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.599 -5.660 -5.742 1.00 0.00 H new ATOM 288 N LEU A 33 -8.676 -9.001 -2.868 1.00 0.00 N ATOM 289 CA LEU A 33 -7.885 -10.235 -2.606 1.00 0.00 C ATOM 290 C LEU A 33 -7.160 -10.676 -3.880 1.00 0.00 C ATOM 291 O LEU A 33 -7.642 -10.484 -4.979 1.00 0.00 O ATOM 292 CB LEU A 33 -8.836 -11.345 -2.132 1.00 0.00 C ATOM 293 CG LEU A 33 -9.529 -12.017 -3.331 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.374 -13.183 -2.809 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.459 -11.015 -4.026 1.00 0.00 C ATOM 0 H LEU A 33 -9.486 -9.123 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.140 -10.035 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.279 -12.090 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.585 -10.926 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.777 -12.366 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.874 -13.673 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.730 -13.900 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.121 -12.807 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.946 -11.498 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.215 -10.671 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.878 -10.163 -4.379 1.00 0.00 H new ATOM 307 N VAL A 34 -6.003 -11.250 -3.693 1.00 0.00 N ATOM 308 CA VAL A 34 -5.213 -11.716 -4.876 1.00 0.00 C ATOM 309 C VAL A 34 -4.653 -13.125 -4.648 1.00 0.00 C ATOM 310 O VAL A 34 -4.541 -13.575 -3.527 1.00 0.00 O ATOM 311 CB VAL A 34 -4.063 -10.728 -5.114 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.450 -11.005 -6.488 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.624 -9.302 -5.111 1.00 0.00 C ATOM 0 H VAL A 34 -5.571 -11.417 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.866 -11.756 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.310 -10.839 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.631 -10.308 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.071 -12.026 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.211 -10.878 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.814 -8.592 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.366 -9.201 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.092 -9.097 -4.148 1.00 0.00 H new ATOM 323 N HIS A 35 -4.287 -13.791 -5.710 1.00 0.00 N ATOM 324 CA HIS A 35 -3.750 -15.175 -5.555 1.00 0.00 C ATOM 325 C HIS A 35 -2.279 -15.161 -5.128 1.00 0.00 C ATOM 326 O HIS A 35 -1.686 -14.111 -5.002 1.00 0.00 O ATOM 327 CB HIS A 35 -3.903 -15.900 -6.895 1.00 0.00 C ATOM 328 CG HIS A 35 -5.079 -16.879 -6.805 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.800 -17.330 -5.710 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -5.618 -17.484 -7.812 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -6.733 -18.177 -6.100 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -6.583 -18.242 -7.400 1.00 0.00 N flip ATOM 0 H HIS A 35 -4.335 -13.443 -6.667 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.308 -15.691 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.074 -15.179 -7.695 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.986 -16.436 -7.139 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.310 -17.374 -8.841 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.455 -18.697 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.157 -18.820 -8.013 1.00 0.00 H new ATOM 340 N PRO A 36 -1.760 -16.332 -4.855 1.00 0.00 N ATOM 341 CA PRO A 36 -0.353 -16.503 -4.427 1.00 0.00 C ATOM 342 C PRO A 36 0.613 -16.451 -5.615 1.00 0.00 C ATOM 343 O PRO A 36 0.666 -17.360 -6.421 1.00 0.00 O ATOM 344 CB PRO A 36 -0.314 -17.883 -3.762 1.00 0.00 C ATOM 345 CG PRO A 36 -1.640 -18.610 -4.138 1.00 0.00 C ATOM 346 CD PRO A 36 -2.550 -17.587 -4.847 1.00 0.00 C ATOM 0 HA PRO A 36 -0.040 -15.703 -3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.549 -18.453 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.221 -17.787 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.439 -19.460 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.128 -19.002 -3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.795 -17.908 -5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.493 -17.459 -4.316 1.00 0.00 H new ATOM 354 N GLY A 37 1.352 -15.378 -5.693 1.00 0.00 N ATOM 355 CA GLY A 37 2.333 -15.224 -6.804 1.00 0.00 C ATOM 356 C GLY A 37 1.802 -14.245 -7.852 1.00 0.00 C ATOM 357 O GLY A 37 2.009 -14.428 -9.036 1.00 0.00 O ATOM 0 H GLY A 37 1.318 -14.600 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.284 -14.865 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.524 -16.193 -7.266 1.00 0.00 H new ATOM 361 N ASP A 38 1.123 -13.229 -7.392 1.00 0.00 N ATOM 362 CA ASP A 38 0.561 -12.233 -8.355 1.00 0.00 C ATOM 363 C ASP A 38 1.013 -10.789 -8.094 1.00 0.00 C ATOM 364 O ASP A 38 1.867 -10.515 -7.272 1.00 0.00 O ATOM 365 CB ASP A 38 -0.964 -12.299 -8.268 1.00 0.00 C ATOM 366 CG ASP A 38 -1.433 -13.704 -8.660 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.169 -14.603 -7.878 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.029 -13.796 -9.721 1.00 0.00 O ATOM 0 H ASP A 38 0.934 -13.045 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 38 0.933 -12.496 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.293 -12.063 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.410 -11.556 -8.930 1.00 0.00 H new ATOM 373 N LEU A 39 0.412 -9.899 -8.838 1.00 0.00 N ATOM 374 CA LEU A 39 0.740 -8.455 -8.701 1.00 0.00 C ATOM 375 C LEU A 39 -0.454 -7.700 -8.112 1.00 0.00 C ATOM 376 O LEU A 39 -1.543 -7.702 -8.651 1.00 0.00 O ATOM 377 CB LEU A 39 1.087 -7.890 -10.086 1.00 0.00 C ATOM 378 CG LEU A 39 0.049 -8.365 -11.113 1.00 0.00 C ATOM 379 CD1 LEU A 39 -0.097 -7.294 -12.198 1.00 0.00 C ATOM 380 CD2 LEU A 39 0.556 -9.653 -11.775 1.00 0.00 C ATOM 0 H LEU A 39 -0.297 -10.115 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 39 1.592 -8.334 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.106 -6.801 -10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.083 -8.217 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.906 -8.542 -10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.832 -7.620 -12.934 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.427 -6.359 -11.745 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.864 -7.140 -12.689 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.175 -9.998 -12.506 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.504 -9.456 -12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.699 -10.421 -11.015 1.00 0.00 H new ATOM 392 N LEU A 40 -0.193 -7.068 -7.003 1.00 0.00 N ATOM 393 CA LEU A 40 -1.257 -6.289 -6.302 1.00 0.00 C ATOM 394 C LEU A 40 -0.851 -4.812 -6.219 1.00 0.00 C ATOM 395 O LEU A 40 0.267 -4.505 -5.863 1.00 0.00 O ATOM 396 CB LEU A 40 -1.413 -6.887 -4.896 1.00 0.00 C ATOM 397 CG LEU A 40 -1.847 -5.805 -3.897 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.269 -5.347 -4.231 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.841 -6.411 -2.493 1.00 0.00 C ATOM 0 H LEU A 40 0.719 -7.056 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.202 -6.345 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.151 -7.689 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.470 -7.329 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.166 -4.955 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.580 -4.579 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.292 -4.940 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.949 -6.196 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.147 -5.656 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.535 -7.251 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.837 -6.759 -2.251 1.00 0.00 H new ATOM 411 N GLN A 41 -1.751 -3.925 -6.552 1.00 0.00 N ATOM 412 CA GLN A 41 -1.393 -2.475 -6.492 1.00 0.00 C ATOM 413 C GLN A 41 -2.439 -1.640 -5.744 1.00 0.00 C ATOM 414 O GLN A 41 -3.628 -1.819 -5.914 1.00 0.00 O ATOM 415 CB GLN A 41 -1.264 -1.927 -7.921 1.00 0.00 C ATOM 416 CG GLN A 41 -0.252 -2.770 -8.709 1.00 0.00 C ATOM 417 CD GLN A 41 -0.876 -4.106 -9.134 1.00 0.00 C ATOM 418 OE1 GLN A 41 -2.156 -4.308 -8.974 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -0.195 -4.985 -9.624 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.701 -4.134 -6.858 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.451 -2.398 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.234 -1.948 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.942 -0.886 -7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.079 -2.221 -9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.631 -2.953 -8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.806 -4.841 -9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.625 -5.867 -9.904 1.00 0.00 H new ATOM 428 N LEU A 42 -1.945 -0.708 -4.972 1.00 0.00 N ATOM 429 CA LEU A 42 -2.838 0.192 -4.190 1.00 0.00 C ATOM 430 C LEU A 42 -2.491 1.648 -4.502 1.00 0.00 C ATOM 431 O LEU A 42 -1.458 2.142 -4.091 1.00 0.00 O ATOM 432 CB LEU A 42 -2.640 -0.055 -2.684 1.00 0.00 C ATOM 433 CG LEU A 42 -1.245 -0.639 -2.417 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.773 -0.177 -1.034 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.339 -2.165 -2.415 1.00 0.00 C ATOM 0 H LEU A 42 -0.948 -0.531 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.874 -0.012 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.761 0.880 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.404 -0.740 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.548 -0.306 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.217 -0.585 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.728 0.912 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.472 -0.528 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.353 -2.590 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.028 -2.486 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.703 -2.508 -3.383 1.00 0.00 H new ATOM 447 N ARG A 43 -3.329 2.262 -5.292 1.00 0.00 N ATOM 448 CA ARG A 43 -3.110 3.692 -5.640 1.00 0.00 C ATOM 449 C ARG A 43 -3.896 4.563 -4.665 1.00 0.00 C ATOM 450 O ARG A 43 -5.096 4.430 -4.508 1.00 0.00 O ATOM 451 CB ARG A 43 -3.601 3.939 -7.069 1.00 0.00 C ATOM 452 CG ARG A 43 -3.111 5.320 -7.526 1.00 0.00 C ATOM 453 CD ARG A 43 -1.637 5.218 -7.929 1.00 0.00 C ATOM 454 NE ARG A 43 -1.536 4.315 -9.111 1.00 0.00 N ATOM 455 CZ ARG A 43 -1.124 4.797 -10.252 1.00 0.00 C ATOM 456 NH1 ARG A 43 -0.023 5.497 -10.284 1.00 0.00 N ATOM 457 NH2 ARG A 43 -1.829 4.562 -11.325 1.00 0.00 N ATOM 0 H ARG A 43 -4.155 1.834 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.050 3.939 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.225 3.164 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.689 3.892 -7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.708 5.672 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.232 6.047 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.240 6.204 -8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.043 4.829 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.787 3.330 -9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.502 5.661 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.312 5.880 -11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.685 4.011 -11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.524 4.930 -12.226 1.00 0.00 H new ATOM 471 N CYS A 44 -3.158 5.434 -4.036 1.00 0.00 N ATOM 472 CA CYS A 44 -3.751 6.364 -3.035 1.00 0.00 C ATOM 473 C CYS A 44 -4.183 7.696 -3.660 1.00 0.00 C ATOM 474 O CYS A 44 -4.638 7.747 -4.785 1.00 0.00 O ATOM 475 CB CYS A 44 -2.699 6.642 -1.967 1.00 0.00 C ATOM 476 SG CYS A 44 -3.303 7.147 -0.339 1.00 0.00 S ATOM 0 H CYS A 44 -2.153 5.542 -4.175 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.641 5.893 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.096 5.742 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.034 7.422 -2.340 1.00 0.00 H new ATOM 481 N ARG A 45 -4.010 8.746 -2.902 1.00 0.00 N ATOM 482 CA ARG A 45 -4.418 10.097 -3.388 1.00 0.00 C ATOM 483 C ARG A 45 -3.274 11.103 -3.225 1.00 0.00 C ATOM 484 O ARG A 45 -2.180 10.740 -2.840 1.00 0.00 O ATOM 485 CB ARG A 45 -5.626 10.543 -2.562 1.00 0.00 C ATOM 486 CG ARG A 45 -5.245 10.496 -1.076 1.00 0.00 C ATOM 487 CD ARG A 45 -6.511 10.287 -0.240 1.00 0.00 C ATOM 488 NE ARG A 45 -7.403 11.464 -0.435 1.00 0.00 N ATOM 489 CZ ARG A 45 -7.481 12.366 0.504 1.00 0.00 C ATOM 490 NH1 ARG A 45 -8.538 12.398 1.268 1.00 0.00 N ATOM 491 NH2 ARG A 45 -6.492 13.203 0.653 1.00 0.00 N ATOM 0 H ARG A 45 -3.604 8.727 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.669 10.050 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.926 11.552 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.478 9.891 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.537 9.687 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.751 11.423 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.019 9.372 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.255 10.175 0.814 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.946 11.563 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.290 11.723 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.613 13.098 2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.678 13.144 0.041 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.533 13.916 1.381 1.00 0.00 H new ATOM 505 N LEU A 46 -3.546 12.347 -3.524 1.00 0.00 N ATOM 506 CA LEU A 46 -2.468 13.372 -3.384 1.00 0.00 C ATOM 507 C LEU A 46 -3.058 14.777 -3.230 1.00 0.00 C ATOM 508 O LEU A 46 -4.114 15.074 -3.752 1.00 0.00 O ATOM 509 CB LEU A 46 -1.573 13.332 -4.630 1.00 0.00 C ATOM 510 CG LEU A 46 -2.441 13.440 -5.892 1.00 0.00 C ATOM 511 CD1 LEU A 46 -1.654 14.193 -6.970 1.00 0.00 C ATOM 512 CD2 LEU A 46 -2.742 12.031 -6.412 1.00 0.00 C ATOM 0 H LEU A 46 -4.448 12.693 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.887 13.144 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.854 14.151 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.000 12.405 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.368 13.964 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.260 14.276 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.404 15.190 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.737 13.649 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.358 12.098 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.807 11.524 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.275 11.467 -5.647 1.00 0.00 H new ATOM 524 N ARG A 47 -2.360 15.646 -2.549 1.00 0.00 N ATOM 525 CA ARG A 47 -2.939 17.007 -2.392 1.00 0.00 C ATOM 526 C ARG A 47 -1.891 18.084 -2.632 1.00 0.00 C ATOM 527 O ARG A 47 -0.730 17.785 -2.819 1.00 0.00 O ATOM 528 CB ARG A 47 -3.514 17.144 -0.981 1.00 0.00 C ATOM 529 CG ARG A 47 -4.875 17.821 -1.125 1.00 0.00 C ATOM 530 CD ARG A 47 -5.481 18.078 0.249 1.00 0.00 C ATOM 531 NE ARG A 47 -6.631 18.998 0.037 1.00 0.00 N ATOM 532 CZ ARG A 47 -6.931 19.876 0.955 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.903 19.613 1.786 1.00 0.00 N ATOM 534 NH2 ARG A 47 -6.243 20.984 1.015 1.00 0.00 N ATOM 0 H ARG A 47 -1.453 15.483 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.728 17.139 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.616 16.167 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.852 17.736 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.766 18.762 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.542 17.191 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.809 17.146 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.746 18.523 0.920 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.181 18.943 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.414 18.733 1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.152 20.287 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.486 21.151 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.462 21.683 1.725 1.00 0.00 H new ATOM 548 N ASP A 48 -2.358 19.304 -2.581 1.00 0.00 N ATOM 549 CA ASP A 48 -1.488 20.494 -2.799 1.00 0.00 C ATOM 550 C ASP A 48 0.006 20.193 -2.682 1.00 0.00 C ATOM 551 O ASP A 48 0.778 20.587 -3.534 1.00 0.00 O ATOM 552 CB ASP A 48 -1.879 21.554 -1.765 1.00 0.00 C ATOM 553 CG ASP A 48 -3.370 21.871 -1.929 1.00 0.00 C ATOM 554 OD1 ASP A 48 -3.688 22.418 -2.971 1.00 0.00 O ATOM 555 OD2 ASP A 48 -4.106 21.545 -1.012 1.00 0.00 O ATOM 0 H ASP A 48 -3.335 19.529 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.645 20.839 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.678 21.191 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.283 22.456 -1.904 1.00 0.00 H new ATOM 560 N ASP A 49 0.395 19.509 -1.640 1.00 0.00 N ATOM 561 CA ASP A 49 1.847 19.215 -1.503 1.00 0.00 C ATOM 562 C ASP A 49 2.125 17.931 -0.715 1.00 0.00 C ATOM 563 O ASP A 49 2.927 17.934 0.197 1.00 0.00 O ATOM 564 CB ASP A 49 2.497 20.406 -0.795 1.00 0.00 C ATOM 565 CG ASP A 49 4.020 20.369 -0.979 1.00 0.00 C ATOM 566 OD1 ASP A 49 4.480 19.435 -1.614 1.00 0.00 O ATOM 567 OD2 ASP A 49 4.636 21.289 -0.468 1.00 0.00 O ATOM 0 H ASP A 49 -0.209 19.151 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 49 2.263 19.060 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.098 21.338 -1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.252 20.385 0.267 1.00 0.00 H new ATOM 572 N VAL A 50 1.454 16.863 -1.057 1.00 0.00 N ATOM 573 CA VAL A 50 1.726 15.590 -0.334 1.00 0.00 C ATOM 574 C VAL A 50 3.142 15.144 -0.672 1.00 0.00 C ATOM 575 O VAL A 50 3.527 15.043 -1.820 1.00 0.00 O ATOM 576 CB VAL A 50 0.735 14.513 -0.768 1.00 0.00 C ATOM 577 CG1 VAL A 50 -0.636 14.836 -0.166 1.00 0.00 C ATOM 578 CG2 VAL A 50 0.658 14.478 -2.300 1.00 0.00 C ATOM 0 H VAL A 50 0.745 16.817 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 50 1.620 15.745 0.740 1.00 0.00 H new ATOM 0 HB VAL A 50 1.059 13.534 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.355 14.074 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.561 14.853 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.969 15.811 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.049 13.709 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.326 15.448 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.643 14.252 -2.709 1.00 0.00 H new ATOM 588 N GLN A 51 3.878 14.901 0.369 1.00 0.00 N ATOM 589 CA GLN A 51 5.292 14.475 0.205 1.00 0.00 C ATOM 590 C GLN A 51 5.550 13.240 1.062 1.00 0.00 C ATOM 591 O GLN A 51 6.455 12.474 0.800 1.00 0.00 O ATOM 592 CB GLN A 51 6.183 15.626 0.665 1.00 0.00 C ATOM 593 CG GLN A 51 5.379 16.925 0.531 1.00 0.00 C ATOM 594 CD GLN A 51 6.219 18.099 1.045 1.00 0.00 C ATOM 595 OE1 GLN A 51 5.884 19.250 0.850 1.00 0.00 O ATOM 596 NE2 GLN A 51 7.311 17.852 1.716 1.00 0.00 N ATOM 0 H GLN A 51 3.560 14.979 1.335 1.00 0.00 H new ATOM 0 HA GLN A 51 5.504 14.228 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.497 15.476 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.088 15.673 0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.104 17.089 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.451 16.852 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.599 16.888 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.876 18.623 2.072 1.00 0.00 H new ATOM 605 N SER A 52 4.736 13.078 2.070 1.00 0.00 N ATOM 606 CA SER A 52 4.909 11.903 2.961 1.00 0.00 C ATOM 607 C SER A 52 3.727 10.954 2.779 1.00 0.00 C ATOM 608 O SER A 52 2.680 11.133 3.370 1.00 0.00 O ATOM 609 CB SER A 52 4.982 12.402 4.411 1.00 0.00 C ATOM 610 OG SER A 52 4.401 11.356 5.176 1.00 0.00 O ATOM 0 H SER A 52 3.967 13.703 2.311 1.00 0.00 H new ATOM 0 HA SER A 52 5.825 11.365 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.012 12.591 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.436 13.337 4.537 1.00 0.00 H new ATOM 0 HG SER A 52 4.411 11.600 6.125 1.00 0.00 H new ATOM 616 N ILE A 53 3.910 9.990 1.918 1.00 0.00 N ATOM 617 CA ILE A 53 2.825 9.003 1.694 1.00 0.00 C ATOM 618 C ILE A 53 3.309 7.653 2.210 1.00 0.00 C ATOM 619 O ILE A 53 3.966 6.899 1.520 1.00 0.00 O ATOM 620 CB ILE A 53 2.508 8.910 0.209 1.00 0.00 C ATOM 621 CG1 ILE A 53 2.335 10.317 -0.380 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.180 8.163 0.065 1.00 0.00 C ATOM 623 CD1 ILE A 53 3.691 10.838 -0.862 1.00 0.00 C ATOM 0 H ILE A 53 4.756 9.847 1.367 1.00 0.00 H new ATOM 0 HA ILE A 53 1.919 9.307 2.219 1.00 0.00 H new ATOM 0 HB ILE A 53 3.316 8.397 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.628 10.292 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.921 10.989 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.923 8.079 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.275 7.166 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.396 8.711 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.569 11.837 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.385 10.878 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.086 10.170 -1.627 1.00 0.00 H new ATOM 635 N ASN A 54 2.954 7.402 3.436 1.00 0.00 N ATOM 636 CA ASN A 54 3.361 6.125 4.087 1.00 0.00 C ATOM 637 C ASN A 54 2.277 5.094 3.850 1.00 0.00 C ATOM 638 O ASN A 54 1.114 5.419 3.956 1.00 0.00 O ATOM 639 CB ASN A 54 3.426 6.311 5.594 1.00 0.00 C ATOM 640 CG ASN A 54 4.420 7.392 5.988 1.00 0.00 C ATOM 641 OD1 ASN A 54 5.078 8.006 5.171 1.00 0.00 O ATOM 642 ND2 ASN A 54 4.539 7.642 7.261 1.00 0.00 N ATOM 0 H ASN A 54 2.398 8.027 4.019 1.00 0.00 H new ATOM 0 HA ASN A 54 4.326 5.820 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.437 6.572 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.708 5.369 6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.190 8.359 7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.982 7.120 7.937 1.00 0.00 H new ATOM 649 N TRP A 55 2.648 3.877 3.574 1.00 0.00 N ATOM 650 CA TRP A 55 1.590 2.859 3.378 1.00 0.00 C ATOM 651 C TRP A 55 1.608 1.998 4.631 1.00 0.00 C ATOM 652 O TRP A 55 2.478 1.167 4.795 1.00 0.00 O ATOM 653 CB TRP A 55 1.935 2.037 2.155 1.00 0.00 C ATOM 654 CG TRP A 55 1.648 2.882 0.916 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.559 3.635 0.242 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.467 2.934 0.273 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.863 4.082 -0.784 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.592 3.718 -0.853 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.748 2.353 0.581 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.492 3.916 -1.680 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.838 2.555 -0.245 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.709 3.335 -1.378 1.00 0.00 C ATOM 0 H TRP A 55 3.610 3.552 3.478 1.00 0.00 H new ATOM 0 HA TRP A 55 0.603 3.296 3.225 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.984 1.742 2.179 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.346 1.120 2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.594 3.820 0.487 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.285 4.682 -1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.846 1.742 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.391 4.526 -2.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.789 2.104 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.558 3.491 -2.027 1.00 0.00 H new ATOM 673 N LEU A 56 0.637 2.172 5.483 1.00 0.00 N ATOM 674 CA LEU A 56 0.664 1.370 6.729 1.00 0.00 C ATOM 675 C LEU A 56 0.154 -0.028 6.394 1.00 0.00 C ATOM 676 O LEU A 56 -1.017 -0.212 6.127 1.00 0.00 O ATOM 677 CB LEU A 56 -0.268 1.991 7.786 1.00 0.00 C ATOM 678 CG LEU A 56 -0.381 3.508 7.603 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.303 4.051 8.699 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.997 4.155 7.754 1.00 0.00 C ATOM 0 H LEU A 56 -0.149 2.814 5.375 1.00 0.00 H new ATOM 0 HA LEU A 56 1.679 1.340 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.257 1.539 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.111 1.770 8.784 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.776 3.734 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.400 5.131 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.286 3.588 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.880 3.821 9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.909 5.233 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.392 3.941 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.673 3.752 7.000 1.00 0.00 H new ATOM 692 N ARG A 57 1.049 -0.976 6.436 1.00 0.00 N ATOM 693 CA ARG A 57 0.659 -2.374 6.112 1.00 0.00 C ATOM 694 C ARG A 57 -0.024 -2.955 7.336 1.00 0.00 C ATOM 695 O ARG A 57 0.303 -2.596 8.448 1.00 0.00 O ATOM 696 CB ARG A 57 1.921 -3.189 5.809 1.00 0.00 C ATOM 697 CG ARG A 57 1.554 -4.680 5.705 1.00 0.00 C ATOM 698 CD ARG A 57 2.580 -5.508 6.484 1.00 0.00 C ATOM 699 NE ARG A 57 3.883 -5.448 5.762 1.00 0.00 N ATOM 700 CZ ARG A 57 4.394 -6.542 5.271 1.00 0.00 C ATOM 701 NH1 ARG A 57 5.279 -7.195 5.973 1.00 0.00 N ATOM 702 NH2 ARG A 57 4.004 -6.948 4.093 1.00 0.00 N ATOM 0 H ARG A 57 2.030 -0.842 6.680 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.005 -2.401 5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.372 -2.848 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.661 -3.039 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.554 -4.849 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.537 -4.990 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.690 -5.120 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.244 -6.541 6.573 1.00 0.00 H new ATOM 0 HE ARG A 57 4.370 -4.559 5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.560 -6.847 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.690 -8.053 5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.310 -6.411 3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.393 -7.802 3.693 1.00 0.00 H new ATOM 716 N ASP A 58 -1.016 -3.762 7.091 1.00 0.00 N ATOM 717 CA ASP A 58 -1.755 -4.399 8.216 1.00 0.00 C ATOM 718 C ASP A 58 -2.427 -3.304 9.038 1.00 0.00 C ATOM 719 O ASP A 58 -3.615 -3.085 8.901 1.00 0.00 O ATOM 720 CB ASP A 58 -0.764 -5.191 9.085 1.00 0.00 C ATOM 721 CG ASP A 58 -1.524 -5.961 10.174 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.740 -5.996 10.082 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.834 -6.479 11.037 1.00 0.00 O ATOM 0 H ASP A 58 -1.348 -4.009 6.159 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.515 -5.083 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.197 -5.885 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.045 -4.512 9.542 1.00 0.00 H new ATOM 728 N GLY A 59 -1.647 -2.656 9.866 1.00 0.00 N ATOM 729 CA GLY A 59 -2.179 -1.548 10.710 1.00 0.00 C ATOM 730 C GLY A 59 -1.039 -0.635 11.190 1.00 0.00 C ATOM 731 O GLY A 59 -1.202 0.118 12.129 1.00 0.00 O ATOM 0 H GLY A 59 -0.654 -2.851 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.903 -0.965 10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.708 -1.960 11.569 1.00 0.00 H new ATOM 735 N VAL A 60 0.093 -0.722 10.536 1.00 0.00 N ATOM 736 CA VAL A 60 1.257 0.124 10.936 1.00 0.00 C ATOM 737 C VAL A 60 2.035 0.577 9.693 1.00 0.00 C ATOM 738 O VAL A 60 2.026 -0.091 8.679 1.00 0.00 O ATOM 739 CB VAL A 60 2.169 -0.710 11.846 1.00 0.00 C ATOM 740 CG1 VAL A 60 2.742 -1.887 11.049 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.325 0.167 12.339 1.00 0.00 C ATOM 0 H VAL A 60 0.260 -1.342 9.743 1.00 0.00 H new ATOM 0 HA VAL A 60 0.907 1.011 11.464 1.00 0.00 H new ATOM 0 HB VAL A 60 1.596 -1.083 12.695 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.390 -2.481 11.693 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.926 -2.509 10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.318 -1.509 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.977 -0.420 12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.895 0.532 11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.927 1.014 12.897 1.00 0.00 H new ATOM 751 N GLN A 61 2.702 1.696 9.811 1.00 0.00 N ATOM 752 CA GLN A 61 3.485 2.236 8.656 1.00 0.00 C ATOM 753 C GLN A 61 4.239 1.144 7.893 1.00 0.00 C ATOM 754 O GLN A 61 4.752 0.208 8.474 1.00 0.00 O ATOM 755 CB GLN A 61 4.478 3.284 9.186 1.00 0.00 C ATOM 756 CG GLN A 61 5.718 2.587 9.772 1.00 0.00 C ATOM 757 CD GLN A 61 6.753 2.302 8.672 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.482 2.585 7.425 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.832 1.812 8.943 1.00 0.00 N flip ATOM 0 H GLN A 61 2.739 2.261 10.659 1.00 0.00 H new ATOM 0 HA GLN A 61 2.784 2.684 7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.775 3.955 8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.000 3.896 9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.164 3.215 10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.424 1.654 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.060 1.585 9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.509 1.628 8.203 1.00 0.00 H new ATOM 768 N LEU A 62 4.276 1.295 6.596 1.00 0.00 N ATOM 769 CA LEU A 62 4.996 0.294 5.763 1.00 0.00 C ATOM 770 C LEU A 62 5.356 0.863 4.385 1.00 0.00 C ATOM 771 O LEU A 62 4.588 1.560 3.746 1.00 0.00 O ATOM 772 CB LEU A 62 4.103 -0.941 5.586 1.00 0.00 C ATOM 773 CG LEU A 62 4.950 -2.227 5.533 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.143 -2.052 4.592 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.469 -2.544 6.940 1.00 0.00 C ATOM 0 H LEU A 62 3.842 2.062 6.082 1.00 0.00 H new ATOM 0 HA LEU A 62 5.924 0.028 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.392 -1.002 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.521 -0.846 4.669 1.00 0.00 H new ATOM 0 HG LEU A 62 4.326 -3.041 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.727 -2.972 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.784 -1.826 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.769 -1.233 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.069 -3.453 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.082 -1.716 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.625 -2.688 7.615 1.00 0.00 H new ATOM 787 N VAL A 63 6.596 0.645 4.055 1.00 0.00 N ATOM 788 CA VAL A 63 7.140 1.069 2.735 1.00 0.00 C ATOM 789 C VAL A 63 8.439 0.282 2.496 1.00 0.00 C ATOM 790 O VAL A 63 9.453 0.579 3.096 1.00 0.00 O ATOM 791 CB VAL A 63 7.346 2.591 2.767 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.935 3.007 4.119 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.308 3.021 1.657 1.00 0.00 C ATOM 0 H VAL A 63 7.273 0.179 4.660 1.00 0.00 H new ATOM 0 HA VAL A 63 6.464 0.855 1.907 1.00 0.00 H new ATOM 0 HB VAL A 63 6.380 3.073 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.079 4.087 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.251 2.719 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.894 2.511 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.444 4.102 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.270 2.529 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.895 2.739 0.688 1.00 0.00 H new ATOM 803 N GLU A 64 8.399 -0.705 1.637 1.00 0.00 N ATOM 804 CA GLU A 64 9.631 -1.510 1.405 1.00 0.00 C ATOM 805 C GLU A 64 10.488 -0.965 0.257 1.00 0.00 C ATOM 806 O GLU A 64 10.732 0.221 0.169 1.00 0.00 O ATOM 807 CB GLU A 64 9.194 -2.953 1.118 1.00 0.00 C ATOM 808 CG GLU A 64 8.659 -3.565 2.420 1.00 0.00 C ATOM 809 CD GLU A 64 8.548 -5.083 2.248 1.00 0.00 C ATOM 810 OE1 GLU A 64 9.512 -5.629 1.739 1.00 0.00 O ATOM 811 OE2 GLU A 64 7.513 -5.602 2.634 1.00 0.00 O ATOM 0 H GLU A 64 7.580 -0.983 1.096 1.00 0.00 H new ATOM 0 HA GLU A 64 10.260 -1.460 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.424 -2.970 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.035 -3.536 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.325 -3.328 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.685 -3.141 2.663 1.00 0.00 H new ATOM 818 N SER A 65 10.918 -1.861 -0.589 1.00 0.00 N ATOM 819 CA SER A 65 11.792 -1.492 -1.743 1.00 0.00 C ATOM 820 C SER A 65 12.487 -2.765 -2.237 1.00 0.00 C ATOM 821 O SER A 65 13.647 -3.005 -1.962 1.00 0.00 O ATOM 822 CB SER A 65 12.853 -0.478 -1.290 1.00 0.00 C ATOM 823 OG SER A 65 13.375 -1.041 -0.095 1.00 0.00 O ATOM 0 H SER A 65 10.696 -2.855 -0.529 1.00 0.00 H new ATOM 0 HA SER A 65 11.195 -1.046 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.630 -0.349 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.416 0.504 -1.111 1.00 0.00 H new ATOM 0 HG SER A 65 13.693 -1.951 -0.274 1.00 0.00 H new ATOM 829 N ASN A 66 11.739 -3.546 -2.966 1.00 0.00 N ATOM 830 CA ASN A 66 12.268 -4.838 -3.497 1.00 0.00 C ATOM 831 C ASN A 66 11.138 -5.529 -4.275 1.00 0.00 C ATOM 832 O ASN A 66 10.737 -5.064 -5.325 1.00 0.00 O ATOM 833 CB ASN A 66 12.690 -5.709 -2.304 1.00 0.00 C ATOM 834 CG ASN A 66 11.549 -5.698 -1.282 1.00 0.00 C ATOM 835 OD1 ASN A 66 10.409 -5.456 -1.627 1.00 0.00 O ATOM 836 ND2 ASN A 66 11.805 -5.954 -0.028 1.00 0.00 N ATOM 0 H ASN A 66 10.772 -3.343 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 66 13.123 -4.679 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.899 -6.728 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.606 -5.324 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.050 -5.950 0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.760 -6.158 0.266 1.00 0.00 H new ATOM 843 N ARG A 67 10.649 -6.621 -3.748 1.00 0.00 N ATOM 844 CA ARG A 67 9.526 -7.328 -4.430 1.00 0.00 C ATOM 845 C ARG A 67 8.380 -6.329 -4.613 1.00 0.00 C ATOM 846 O ARG A 67 7.525 -6.478 -5.465 1.00 0.00 O ATOM 847 CB ARG A 67 9.070 -8.493 -3.549 1.00 0.00 C ATOM 848 CG ARG A 67 10.242 -9.465 -3.381 1.00 0.00 C ATOM 849 CD ARG A 67 9.784 -10.647 -2.524 1.00 0.00 C ATOM 850 NE ARG A 67 10.937 -11.577 -2.362 1.00 0.00 N ATOM 851 CZ ARG A 67 10.835 -12.806 -2.790 1.00 0.00 C ATOM 852 NH1 ARG A 67 11.281 -13.097 -3.981 1.00 0.00 N ATOM 853 NH2 ARG A 67 10.291 -13.702 -2.012 1.00 0.00 N ATOM 0 H ARG A 67 10.975 -7.051 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 67 9.838 -7.715 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.740 -8.126 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.219 -9.001 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.584 -9.815 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.085 -8.961 -2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.436 -10.299 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.946 -11.159 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 67 11.799 -11.256 -1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.701 -12.370 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.210 -14.052 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.954 -13.437 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.203 -14.667 -2.330 1.00 0.00 H new ATOM 867 N THR A 68 8.356 -5.347 -3.755 1.00 0.00 N ATOM 868 CA THR A 68 7.307 -4.312 -3.882 1.00 0.00 C ATOM 869 C THR A 68 7.990 -2.974 -4.136 1.00 0.00 C ATOM 870 O THR A 68 9.097 -2.747 -3.693 1.00 0.00 O ATOM 871 CB THR A 68 6.508 -4.259 -2.582 1.00 0.00 C ATOM 872 OG1 THR A 68 5.425 -3.387 -2.875 1.00 0.00 O ATOM 873 CG2 THR A 68 7.288 -3.533 -1.487 1.00 0.00 C ATOM 0 H THR A 68 9.011 -5.221 -2.983 1.00 0.00 H new ATOM 0 HA THR A 68 6.630 -4.540 -4.705 1.00 0.00 H new ATOM 0 HB THR A 68 6.248 -5.266 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.313 -3.319 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.695 -3.510 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.225 -4.057 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.501 -2.513 -1.807 1.00 0.00 H new ATOM 881 N ARG A 69 7.318 -2.161 -4.894 1.00 0.00 N ATOM 882 CA ARG A 69 7.824 -0.806 -5.208 1.00 0.00 C ATOM 883 C ARG A 69 6.841 0.089 -4.476 1.00 0.00 C ATOM 884 O ARG A 69 5.708 0.238 -4.891 1.00 0.00 O ATOM 885 CB ARG A 69 7.749 -0.571 -6.721 1.00 0.00 C ATOM 886 CG ARG A 69 8.663 -1.577 -7.431 1.00 0.00 C ATOM 887 CD ARG A 69 10.114 -1.311 -7.016 1.00 0.00 C ATOM 888 NE ARG A 69 10.999 -2.195 -7.826 1.00 0.00 N ATOM 889 CZ ARG A 69 11.750 -3.078 -7.226 1.00 0.00 C ATOM 890 NH1 ARG A 69 12.413 -2.724 -6.159 1.00 0.00 N ATOM 891 NH2 ARG A 69 11.812 -4.287 -7.714 1.00 0.00 N ATOM 0 H ARG A 69 6.418 -2.386 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 69 8.860 -0.634 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.722 -0.685 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.055 0.448 -6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.377 -2.596 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.557 -1.484 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.370 -0.264 -7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.248 -1.510 -5.953 1.00 0.00 H new ATOM 0 HE ARG A 69 11.018 -2.111 -8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.340 -1.770 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.004 -3.402 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.279 -4.528 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.393 -4.991 -7.259 1.00 0.00 H new ATOM 905 N ILE A 70 7.261 0.569 -3.342 1.00 0.00 N ATOM 906 CA ILE A 70 6.350 1.438 -2.558 1.00 0.00 C ATOM 907 C ILE A 70 6.499 2.870 -3.039 1.00 0.00 C ATOM 908 O ILE A 70 7.256 3.652 -2.499 1.00 0.00 O ATOM 909 CB ILE A 70 6.695 1.334 -1.068 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.195 1.042 -0.857 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.904 0.165 -0.467 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.054 2.163 -1.448 1.00 0.00 C ATOM 0 H ILE A 70 8.179 0.401 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 70 5.317 1.119 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 70 6.446 2.282 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.404 0.940 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.455 0.093 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.137 0.075 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.836 0.347 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.176 -0.759 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.108 1.937 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.859 2.246 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.807 3.106 -0.960 1.00 0.00 H new ATOM 924 N THR A 71 5.739 3.192 -4.045 1.00 0.00 N ATOM 925 CA THR A 71 5.840 4.559 -4.593 1.00 0.00 C ATOM 926 C THR A 71 5.022 5.443 -3.654 1.00 0.00 C ATOM 927 O THR A 71 3.955 5.057 -3.218 1.00 0.00 O ATOM 928 CB THR A 71 5.289 4.510 -6.024 1.00 0.00 C ATOM 929 OG1 THR A 71 5.523 3.157 -6.395 1.00 0.00 O ATOM 930 CG2 THR A 71 6.215 5.257 -6.974 1.00 0.00 C ATOM 0 H THR A 71 5.065 2.577 -4.501 1.00 0.00 H new ATOM 0 HA THR A 71 6.853 4.958 -4.649 1.00 0.00 H new ATOM 0 HB THR A 71 4.270 4.896 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.668 2.683 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.811 5.213 -7.985 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.296 6.298 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.202 4.795 -6.958 1.00 0.00 H new ATOM 938 N GLY A 72 5.563 6.580 -3.313 1.00 0.00 N ATOM 939 CA GLY A 72 4.848 7.492 -2.375 1.00 0.00 C ATOM 940 C GLY A 72 3.362 7.145 -2.240 1.00 0.00 C ATOM 941 O GLY A 72 2.928 6.594 -1.248 1.00 0.00 O ATOM 0 H GLY A 72 6.468 6.917 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.320 7.442 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.948 8.519 -2.725 1.00 0.00 H new ATOM 945 N GLU A 73 2.637 7.420 -3.286 1.00 0.00 N ATOM 946 CA GLU A 73 1.166 7.168 -3.287 1.00 0.00 C ATOM 947 C GLU A 73 0.763 5.983 -4.164 1.00 0.00 C ATOM 948 O GLU A 73 -0.408 5.757 -4.384 1.00 0.00 O ATOM 949 CB GLU A 73 0.491 8.412 -3.846 1.00 0.00 C ATOM 950 CG GLU A 73 0.994 8.582 -5.285 1.00 0.00 C ATOM 951 CD GLU A 73 0.234 9.729 -5.955 1.00 0.00 C ATOM 952 OE1 GLU A 73 0.500 10.853 -5.562 1.00 0.00 O ATOM 953 OE2 GLU A 73 -0.569 9.413 -6.817 1.00 0.00 O ATOM 0 H GLU A 73 3.004 7.814 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 73 0.864 6.939 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.594 8.305 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.736 9.288 -3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.064 8.790 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.848 7.658 -5.845 1.00 0.00 H new ATOM 960 N GLU A 74 1.719 5.229 -4.625 1.00 0.00 N ATOM 961 CA GLU A 74 1.357 4.078 -5.494 1.00 0.00 C ATOM 962 C GLU A 74 2.182 2.879 -5.063 1.00 0.00 C ATOM 963 O GLU A 74 3.317 2.709 -5.461 1.00 0.00 O ATOM 964 CB GLU A 74 1.652 4.430 -6.955 1.00 0.00 C ATOM 965 CG GLU A 74 1.321 3.210 -7.826 1.00 0.00 C ATOM 966 CD GLU A 74 1.812 3.440 -9.261 1.00 0.00 C ATOM 967 OE1 GLU A 74 2.475 4.445 -9.466 1.00 0.00 O ATOM 968 OE2 GLU A 74 1.497 2.586 -10.072 1.00 0.00 O ATOM 0 H GLU A 74 2.715 5.355 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 74 0.296 3.846 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.058 5.289 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.699 4.707 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.791 2.318 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.245 3.033 -7.825 1.00 0.00 H new ATOM 975 N VAL A 75 1.589 2.062 -4.244 1.00 0.00 N ATOM 976 CA VAL A 75 2.352 0.873 -3.781 1.00 0.00 C ATOM 977 C VAL A 75 2.006 -0.307 -4.664 1.00 0.00 C ATOM 978 O VAL A 75 0.854 -0.652 -4.817 1.00 0.00 O ATOM 979 CB VAL A 75 1.985 0.573 -2.336 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.303 -0.894 -2.021 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.864 1.450 -1.466 1.00 0.00 C ATOM 0 H VAL A 75 0.640 2.158 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 75 3.423 1.066 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 75 0.926 0.759 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.040 -1.109 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.728 -1.541 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.367 -1.076 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.634 1.268 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.912 1.216 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.679 2.498 -1.701 1.00 0.00 H new ATOM 991 N GLU A 76 3.024 -0.846 -5.268 1.00 0.00 N ATOM 992 CA GLU A 76 2.814 -2.021 -6.156 1.00 0.00 C ATOM 993 C GLU A 76 3.645 -3.198 -5.648 1.00 0.00 C ATOM 994 O GLU A 76 4.851 -3.105 -5.572 1.00 0.00 O ATOM 995 CB GLU A 76 3.277 -1.644 -7.561 1.00 0.00 C ATOM 996 CG GLU A 76 2.664 -0.292 -7.950 1.00 0.00 C ATOM 997 CD GLU A 76 3.693 0.473 -8.782 1.00 0.00 C ATOM 998 OE1 GLU A 76 4.112 -0.125 -9.760 1.00 0.00 O ATOM 999 OE2 GLU A 76 4.018 1.574 -8.367 1.00 0.00 O ATOM 0 H GLU A 76 3.989 -0.526 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 76 1.762 -2.305 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.365 -1.586 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.976 -2.412 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.747 -0.440 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.397 0.276 -7.059 1.00 0.00 H new ATOM 1006 N VAL A 77 2.979 -4.267 -5.311 1.00 0.00 N ATOM 1007 CA VAL A 77 3.686 -5.484 -4.814 1.00 0.00 C ATOM 1008 C VAL A 77 3.593 -6.488 -5.966 1.00 0.00 C ATOM 1009 O VAL A 77 2.516 -6.952 -6.279 1.00 0.00 O ATOM 1010 CB VAL A 77 2.951 -6.014 -3.553 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.297 -5.121 -2.354 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.441 -5.919 -3.774 1.00 0.00 C ATOM 0 H VAL A 77 1.964 -4.352 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 77 4.722 -5.297 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 77 3.253 -7.045 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.783 -5.489 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.374 -5.140 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.980 -4.098 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.920 -6.290 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.164 -4.880 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.161 -6.520 -4.640 1.00 0.00 H new ATOM 1022 N ARG A 78 4.705 -6.805 -6.573 1.00 0.00 N ATOM 1023 CA ARG A 78 4.661 -7.744 -7.732 1.00 0.00 C ATOM 1024 C ARG A 78 4.983 -9.131 -7.199 1.00 0.00 C ATOM 1025 O ARG A 78 5.975 -9.739 -7.547 1.00 0.00 O ATOM 1026 CB ARG A 78 5.715 -7.319 -8.769 1.00 0.00 C ATOM 1027 CG ARG A 78 6.114 -5.853 -8.536 1.00 0.00 C ATOM 1028 CD ARG A 78 4.865 -4.968 -8.593 1.00 0.00 C ATOM 1029 NE ARG A 78 5.177 -3.768 -9.427 1.00 0.00 N ATOM 1030 CZ ARG A 78 4.910 -3.784 -10.705 1.00 0.00 C ATOM 1031 NH1 ARG A 78 5.006 -4.913 -11.354 1.00 0.00 N ATOM 1032 NH2 ARG A 78 4.562 -2.674 -11.302 1.00 0.00 N ATOM 0 H ARG A 78 5.631 -6.460 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 78 3.682 -7.737 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.593 -7.961 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.317 -7.441 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.603 -5.748 -7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.832 -5.536 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.028 -5.520 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.568 -4.666 -7.589 1.00 0.00 H new ATOM 0 HE ARG A 78 5.596 -2.942 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.285 -5.762 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.802 -4.946 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.501 -1.806 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.351 -2.676 -12.300 1.00 0.00 H new ATOM 1046 N ASP A 79 4.109 -9.591 -6.350 1.00 0.00 N ATOM 1047 CA ASP A 79 4.334 -10.912 -5.720 1.00 0.00 C ATOM 1048 C ASP A 79 3.020 -11.439 -5.164 1.00 0.00 C ATOM 1049 O ASP A 79 2.696 -12.599 -5.318 1.00 0.00 O ATOM 1050 CB ASP A 79 5.342 -10.723 -4.588 1.00 0.00 C ATOM 1051 CG ASP A 79 5.046 -9.410 -3.853 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.131 -9.430 -3.045 1.00 0.00 O ATOM 1053 OD2 ASP A 79 5.750 -8.458 -4.148 1.00 0.00 O ATOM 0 H ASP A 79 3.255 -9.110 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 79 4.715 -11.628 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.286 -11.561 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.356 -10.707 -4.988 1.00 0.00 H new ATOM 1058 N SER A 80 2.283 -10.545 -4.557 1.00 0.00 N ATOM 1059 CA SER A 80 0.992 -10.957 -3.946 1.00 0.00 C ATOM 1060 C SER A 80 1.250 -12.269 -3.205 1.00 0.00 C ATOM 1061 O SER A 80 1.101 -13.341 -3.754 1.00 0.00 O ATOM 1062 CB SER A 80 -0.038 -11.140 -5.055 1.00 0.00 C ATOM 1063 OG SER A 80 -1.207 -11.521 -4.351 1.00 0.00 O ATOM 0 H SER A 80 2.519 -9.557 -4.460 1.00 0.00 H new ATOM 0 HA SER A 80 0.607 -10.211 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.190 -10.220 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.270 -11.905 -5.768 1.00 0.00 H new ATOM 0 HG SER A 80 -1.333 -12.490 -4.427 1.00 0.00 H new ATOM 1069 N ILE A 81 1.676 -12.108 -1.983 1.00 0.00 N ATOM 1070 CA ILE A 81 2.023 -13.267 -1.109 1.00 0.00 C ATOM 1071 C ILE A 81 1.492 -12.967 0.293 1.00 0.00 C ATOM 1072 O ILE A 81 0.956 -11.904 0.516 1.00 0.00 O ATOM 1073 CB ILE A 81 3.557 -13.392 -1.081 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.175 -11.990 -1.195 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.003 -14.235 -2.281 1.00 0.00 C ATOM 1076 CD1 ILE A 81 5.678 -12.082 -0.919 1.00 0.00 C ATOM 0 H ILE A 81 1.802 -11.197 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 81 1.588 -14.197 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 81 3.879 -13.863 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.000 -11.581 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.703 -11.312 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.089 -14.332 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.550 -15.224 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.688 -13.749 -3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.124 -11.090 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.840 -12.474 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.142 -12.747 -1.647 1.00 0.00 H new ATOM 1088 N PRO A 82 1.684 -13.871 1.218 1.00 0.00 N ATOM 1089 CA PRO A 82 1.504 -13.580 2.661 1.00 0.00 C ATOM 1090 C PRO A 82 1.747 -12.109 3.045 1.00 0.00 C ATOM 1091 O PRO A 82 1.044 -11.564 3.873 1.00 0.00 O ATOM 1092 CB PRO A 82 2.488 -14.536 3.342 1.00 0.00 C ATOM 1093 CG PRO A 82 2.780 -15.677 2.309 1.00 0.00 C ATOM 1094 CD PRO A 82 2.166 -15.246 0.955 1.00 0.00 C ATOM 0 HA PRO A 82 0.471 -13.731 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.406 -14.017 3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.063 -14.942 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.853 -15.839 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.346 -16.619 2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.905 -15.266 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.352 -15.906 0.655 1.00 0.00 H new ATOM 1102 N ALA A 83 2.722 -11.490 2.438 1.00 0.00 N ATOM 1103 CA ALA A 83 3.012 -10.062 2.775 1.00 0.00 C ATOM 1104 C ALA A 83 1.781 -9.149 2.630 1.00 0.00 C ATOM 1105 O ALA A 83 1.710 -8.095 3.228 1.00 0.00 O ATOM 1106 CB ALA A 83 4.113 -9.565 1.836 1.00 0.00 C ATOM 0 H ALA A 83 3.327 -11.904 1.729 1.00 0.00 H new ATOM 0 HA ALA A 83 3.319 -10.021 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.342 -8.524 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.008 -10.172 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.774 -9.645 0.803 1.00 0.00 H new ATOM 1112 N ASP A 84 0.854 -9.536 1.799 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.356 -8.697 1.599 1.00 0.00 C ATOM 1114 C ASP A 84 -1.551 -9.176 2.439 1.00 0.00 C ATOM 1115 O ASP A 84 -2.675 -9.179 1.978 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.680 -8.739 0.108 1.00 0.00 C ATOM 1117 CG ASP A 84 0.617 -8.436 -0.648 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.931 -7.261 -0.741 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.230 -9.407 -1.062 1.00 0.00 O ATOM 0 H ASP A 84 0.883 -10.396 1.251 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.158 -7.678 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.069 -9.717 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.449 -8.007 -0.139 1.00 0.00 H new ATOM 1124 N SER A 85 -1.269 -9.683 3.609 1.00 0.00 N ATOM 1125 CA SER A 85 -2.380 -10.112 4.514 1.00 0.00 C ATOM 1126 C SER A 85 -2.677 -9.025 5.561 1.00 0.00 C ATOM 1127 O SER A 85 -2.282 -9.158 6.703 1.00 0.00 O ATOM 1128 CB SER A 85 -1.971 -11.400 5.228 1.00 0.00 C ATOM 1129 OG SER A 85 -0.744 -11.052 5.850 1.00 0.00 O ATOM 0 H SER A 85 -0.327 -9.819 3.977 1.00 0.00 H new ATOM 0 HA SER A 85 -3.277 -10.278 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.719 -11.710 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.847 -12.226 4.528 1.00 0.00 H new ATOM 0 HG SER A 85 0.002 -11.317 5.272 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.356 -7.975 5.182 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.647 -6.916 6.196 1.00 0.00 C ATOM 1137 C GLY A 86 -4.156 -5.627 5.543 1.00 0.00 C ATOM 1138 O GLY A 86 -4.466 -5.592 4.368 1.00 0.00 O ATOM 0 H GLY A 86 -3.714 -7.805 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.391 -7.284 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.744 -6.702 6.767 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.246 -4.573 6.312 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.744 -3.319 5.690 1.00 0.00 C ATOM 1144 C LEU A 87 -3.576 -2.427 5.279 1.00 0.00 C ATOM 1145 O LEU A 87 -2.684 -2.150 6.056 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.637 -2.576 6.692 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.073 -3.105 6.573 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.129 -4.544 7.097 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.993 -2.232 7.432 1.00 0.00 C ATOM 0 H LEU A 87 -4.007 -4.527 7.302 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.320 -3.569 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.266 -2.721 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.613 -1.504 6.494 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.390 -3.079 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.148 -4.922 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.460 -5.172 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.819 -4.563 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.017 -2.598 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.669 -2.275 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.949 -1.201 7.080 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.605 -2.033 4.037 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.560 -1.131 3.497 1.00 0.00 C ATOM 1163 C TYR A 88 -3.215 0.233 3.405 1.00 0.00 C ATOM 1164 O TYR A 88 -3.638 0.681 2.360 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.154 -1.589 2.111 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.056 -2.631 2.263 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.249 -2.234 2.442 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.354 -3.972 2.214 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.246 -3.171 2.565 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.362 -4.919 2.327 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.956 -4.522 2.502 1.00 0.00 C ATOM 1172 OH TYR A 88 1.994 -5.429 2.581 1.00 0.00 O ATOM 0 H TYR A 88 -4.323 -2.305 3.365 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.668 -1.120 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.009 -2.011 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.799 -0.745 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.490 -1.182 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.379 -4.286 2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.266 -2.850 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.609 -5.969 2.280 1.00 0.00 H new ATOM 0 HH TYR A 88 1.638 -6.315 2.800 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.286 0.860 4.539 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.934 2.198 4.567 1.00 0.00 C ATOM 1184 C ALA A 89 -2.842 3.203 4.233 1.00 0.00 C ATOM 1185 O ALA A 89 -1.765 3.130 4.782 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.475 2.452 5.972 1.00 0.00 C ATOM 0 H ALA A 89 -2.933 0.516 5.432 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.761 2.273 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.953 3.431 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.204 1.683 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.654 2.424 6.689 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.107 4.141 3.370 1.00 0.00 N ATOM 1193 CA CYS A 90 -1.991 5.069 3.049 1.00 0.00 C ATOM 1194 C CYS A 90 -2.217 6.405 3.717 1.00 0.00 C ATOM 1195 O CYS A 90 -3.319 6.912 3.731 1.00 0.00 O ATOM 1196 CB CYS A 90 -1.907 5.256 1.541 1.00 0.00 C ATOM 1197 SG CYS A 90 -3.465 5.386 0.633 1.00 0.00 S ATOM 0 H CYS A 90 -3.996 4.302 2.896 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.056 4.646 3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.326 6.157 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.345 4.418 1.128 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.157 6.893 4.292 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.214 8.211 4.972 1.00 0.00 C ATOM 1204 C VAL A 91 -0.485 9.220 4.089 1.00 0.00 C ATOM 1205 O VAL A 91 0.727 9.202 4.010 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.495 8.138 6.320 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -0.841 9.392 7.130 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -0.964 6.904 7.091 1.00 0.00 C ATOM 0 H VAL A 91 -0.248 6.431 4.320 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.252 8.500 5.136 1.00 0.00 H new ATOM 0 HB VAL A 91 0.581 8.075 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.335 9.353 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.516 10.278 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.919 9.438 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.449 6.857 8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.039 6.967 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.739 6.007 6.514 1.00 0.00 H new ATOM 1218 N THR A 92 -1.245 10.069 3.459 1.00 0.00 N ATOM 1219 CA THR A 92 -0.642 11.101 2.570 1.00 0.00 C ATOM 1220 C THR A 92 -0.461 12.317 3.469 1.00 0.00 C ATOM 1221 O THR A 92 -1.364 12.638 4.215 1.00 0.00 O ATOM 1222 CB THR A 92 -1.625 11.430 1.445 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.837 11.739 2.117 1.00 0.00 O ATOM 1224 CG2 THR A 92 -1.950 10.180 0.622 1.00 0.00 C ATOM 0 H THR A 92 -2.263 10.094 3.521 1.00 0.00 H new ATOM 0 HA THR A 92 0.294 10.778 2.115 1.00 0.00 H new ATOM 0 HB THR A 92 -1.219 12.210 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.635 12.120 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.651 10.439 -0.172 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.034 9.785 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.397 9.425 1.268 1.00 0.00 H new ATOM 1232 N SER A 93 0.666 12.972 3.395 1.00 0.00 N ATOM 1233 CA SER A 93 0.849 14.143 4.299 1.00 0.00 C ATOM 1234 C SER A 93 1.561 15.285 3.586 1.00 0.00 C ATOM 1235 O SER A 93 2.505 15.068 2.851 1.00 0.00 O ATOM 1236 CB SER A 93 1.682 13.722 5.517 1.00 0.00 C ATOM 1237 OG SER A 93 1.567 12.307 5.562 1.00 0.00 O ATOM 0 H SER A 93 1.444 12.758 2.771 1.00 0.00 H new ATOM 0 HA SER A 93 -0.137 14.487 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.722 14.031 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.305 14.179 6.432 1.00 0.00 H new ATOM 0 HG SER A 93 2.420 11.901 5.301 1.00 0.00 H new ATOM 1243 N SER A 94 1.060 16.465 3.832 1.00 0.00 N ATOM 1244 CA SER A 94 1.642 17.691 3.225 1.00 0.00 C ATOM 1245 C SER A 94 1.766 18.753 4.321 1.00 0.00 C ATOM 1246 O SER A 94 1.014 18.747 5.277 1.00 0.00 O ATOM 1247 CB SER A 94 0.687 18.209 2.159 1.00 0.00 C ATOM 1248 OG SER A 94 -0.318 18.850 2.931 1.00 0.00 O ATOM 0 H SER A 94 0.258 16.631 4.439 1.00 0.00 H new ATOM 0 HA SER A 94 2.615 17.474 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.178 18.903 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.279 17.400 1.553 1.00 0.00 H new ATOM 0 HG SER A 94 -0.997 19.228 2.334 1.00 0.00 H new ATOM 1254 N PRO A 95 2.681 19.664 4.114 1.00 0.00 N ATOM 1255 CA PRO A 95 2.933 20.776 5.057 1.00 0.00 C ATOM 1256 C PRO A 95 1.648 21.474 5.521 1.00 0.00 C ATOM 1257 O PRO A 95 1.701 22.358 6.354 1.00 0.00 O ATOM 1258 CB PRO A 95 3.837 21.747 4.289 1.00 0.00 C ATOM 1259 CG PRO A 95 4.315 21.011 3.002 1.00 0.00 C ATOM 1260 CD PRO A 95 3.534 19.687 2.903 1.00 0.00 C ATOM 0 HA PRO A 95 3.392 20.406 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.294 22.657 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.689 22.045 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.137 21.627 2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.387 20.820 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.933 19.648 1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.208 18.831 2.876 1.00 0.00 H new ATOM 1268 N SER A 96 0.523 21.077 4.987 1.00 0.00 N ATOM 1269 CA SER A 96 -0.747 21.723 5.414 1.00 0.00 C ATOM 1270 C SER A 96 -1.591 20.747 6.237 1.00 0.00 C ATOM 1271 O SER A 96 -2.145 21.116 7.254 1.00 0.00 O ATOM 1272 CB SER A 96 -1.527 22.136 4.163 1.00 0.00 C ATOM 1273 OG SER A 96 -0.717 23.146 3.584 1.00 0.00 O ATOM 0 H SER A 96 0.431 20.344 4.284 1.00 0.00 H new ATOM 0 HA SER A 96 -0.522 22.594 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.668 21.296 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.519 22.512 4.415 1.00 0.00 H new ATOM 0 HG SER A 96 -1.141 23.475 2.764 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.673 19.522 5.789 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.505 18.545 6.557 1.00 0.00 C ATOM 1281 C GLY A 97 -2.162 17.086 6.246 1.00 0.00 C ATOM 1282 O GLY A 97 -1.220 16.799 5.535 1.00 0.00 O ATOM 0 H GLY A 97 -1.216 19.161 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.371 18.723 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.558 18.720 6.334 1.00 0.00 H new ATOM 1286 N SER A 98 -2.948 16.203 6.806 1.00 0.00 N ATOM 1287 CA SER A 98 -2.729 14.744 6.578 1.00 0.00 C ATOM 1288 C SER A 98 -4.059 14.061 6.233 1.00 0.00 C ATOM 1289 O SER A 98 -5.100 14.427 6.742 1.00 0.00 O ATOM 1290 CB SER A 98 -2.159 14.129 7.859 1.00 0.00 C ATOM 1291 OG SER A 98 -0.956 14.853 8.072 1.00 0.00 O ATOM 0 H SER A 98 -3.735 16.431 7.414 1.00 0.00 H new ATOM 0 HA SER A 98 -2.035 14.603 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.847 14.240 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.969 13.062 7.741 1.00 0.00 H new ATOM 0 HG SER A 98 -0.516 14.525 8.884 1.00 0.00 H new ATOM 1297 N ASP A 99 -3.988 13.079 5.375 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.223 12.348 4.962 1.00 0.00 C ATOM 1299 C ASP A 99 -4.914 10.855 4.856 1.00 0.00 C ATOM 1300 O ASP A 99 -3.889 10.481 4.323 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.666 12.869 3.591 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.474 14.160 3.764 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -5.886 15.116 4.242 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.636 14.108 3.394 1.00 0.00 O ATOM 0 H ASP A 99 -3.126 12.750 4.941 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.013 12.505 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.795 13.056 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.269 12.117 3.083 1.00 0.00 H new ATOM 1309 N THR A 100 -5.796 10.025 5.340 1.00 0.00 N ATOM 1310 CA THR A 100 -5.493 8.568 5.260 1.00 0.00 C ATOM 1311 C THR A 100 -6.614 7.743 4.617 1.00 0.00 C ATOM 1312 O THR A 100 -7.790 7.980 4.811 1.00 0.00 O ATOM 1313 CB THR A 100 -5.219 8.060 6.672 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.289 8.993 7.202 1.00 0.00 O ATOM 1315 CG2 THR A 100 -4.439 6.741 6.636 1.00 0.00 C ATOM 0 H THR A 100 -6.684 10.279 5.773 1.00 0.00 H new ATOM 0 HA THR A 100 -4.623 8.445 4.615 1.00 0.00 H new ATOM 0 HB THR A 100 -6.154 7.937 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.057 8.739 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.256 6.399 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.019 5.990 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.487 6.895 6.128 1.00 0.00 H new ATOM 1323 N THR A 101 -6.164 6.782 3.859 1.00 0.00 N ATOM 1324 CA THR A 101 -7.073 5.844 3.130 1.00 0.00 C ATOM 1325 C THR A 101 -6.826 4.405 3.598 1.00 0.00 C ATOM 1326 O THR A 101 -5.797 4.133 4.183 1.00 0.00 O ATOM 1327 CB THR A 101 -6.735 5.945 1.651 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.386 6.388 1.652 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.516 7.083 0.988 1.00 0.00 C ATOM 0 H THR A 101 -5.172 6.600 3.708 1.00 0.00 H new ATOM 0 HA THR A 101 -8.115 6.102 3.319 1.00 0.00 H new ATOM 0 HB THR A 101 -6.942 5.006 1.138 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.954 6.123 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.257 7.134 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.585 6.899 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.263 8.027 1.470 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.739 3.507 3.320 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.515 2.097 3.776 1.00 0.00 C ATOM 1339 C TYR A 102 -7.623 1.045 2.662 1.00 0.00 C ATOM 1340 O TYR A 102 -8.694 0.565 2.344 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.547 1.767 4.839 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.536 2.852 5.908 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -7.706 2.750 7.001 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -9.365 3.945 5.785 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.707 3.734 7.967 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -9.372 4.929 6.750 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.540 4.831 7.848 1.00 0.00 C ATOM 1348 OH TYR A 102 -8.540 5.817 8.813 1.00 0.00 O ATOM 0 H TYR A 102 -8.606 3.679 2.812 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.492 2.053 4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.537 1.694 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.327 0.798 5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.052 1.897 7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.014 4.032 4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.053 3.647 8.822 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.030 5.779 6.647 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.185 6.513 8.569 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.516 0.710 2.064 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.564 -0.332 1.003 1.00 0.00 C ATOM 1360 C PHE A 103 -6.486 -1.679 1.695 1.00 0.00 C ATOM 1361 O PHE A 103 -5.430 -2.110 2.103 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.361 -0.195 0.072 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.519 1.088 -0.729 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.165 2.300 -0.172 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.068 1.046 -1.993 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.366 3.467 -0.876 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.268 2.213 -2.699 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.921 3.424 -2.137 1.00 0.00 C ATOM 0 H PHE A 103 -5.595 1.104 2.259 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.477 -0.229 0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.436 -0.171 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.298 -1.054 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.730 2.334 0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.342 0.097 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.089 4.415 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.696 2.179 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.084 4.340 -2.686 1.00 0.00 H new ATOM 1378 N SER A 104 -7.602 -2.325 1.835 1.00 0.00 N ATOM 1379 CA SER A 104 -7.536 -3.648 2.508 1.00 0.00 C ATOM 1380 C SER A 104 -7.021 -4.638 1.469 1.00 0.00 C ATOM 1381 O SER A 104 -7.658 -4.897 0.470 1.00 0.00 O ATOM 1382 CB SER A 104 -8.939 -4.043 2.976 1.00 0.00 C ATOM 1383 OG SER A 104 -9.726 -2.902 2.668 1.00 0.00 O ATOM 0 H SER A 104 -8.523 -2.014 1.528 1.00 0.00 H new ATOM 0 HA SER A 104 -6.881 -3.630 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.300 -4.931 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.958 -4.267 4.043 1.00 0.00 H new ATOM 0 HG SER A 104 -10.097 -2.528 3.494 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.852 -5.160 1.713 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.287 -6.120 0.728 1.00 0.00 C ATOM 1391 C VAL A 105 -5.079 -7.456 1.425 1.00 0.00 C ATOM 1392 O VAL A 105 -4.504 -7.545 2.492 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.952 -5.588 0.177 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.918 -4.062 0.303 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.789 -6.203 0.956 1.00 0.00 C ATOM 0 H VAL A 105 -5.275 -4.969 2.532 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.973 -6.244 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.858 -5.863 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.972 -3.686 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.742 -3.632 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.015 -3.781 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.846 -5.823 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.876 -5.937 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.815 -7.288 0.852 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.594 -8.467 0.798 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.462 -9.826 1.388 1.00 0.00 C ATOM 1407 C ASN A 106 -5.044 -10.881 0.364 1.00 0.00 C ATOM 1408 O ASN A 106 -5.648 -11.057 -0.676 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.797 -10.219 2.052 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.978 -10.071 1.090 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.996 -9.228 0.218 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -9.002 -10.866 1.246 1.00 0.00 N ATOM 0 H ASN A 106 -6.096 -8.417 -0.088 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.666 -9.789 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.740 -11.250 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.963 -9.595 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.814 -10.777 0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.990 -11.576 1.978 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.946 -11.518 0.657 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.491 -12.596 -0.263 1.00 0.00 C ATOM 1421 C VAL A 107 -4.301 -13.858 0.057 1.00 0.00 C ATOM 1422 O VAL A 107 -4.505 -14.198 1.206 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.996 -12.842 -0.039 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.772 -13.345 1.387 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.518 -13.906 -1.032 1.00 0.00 C ATOM 0 H VAL A 107 -3.357 -11.346 1.472 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.643 -12.318 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.441 -11.916 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.708 -13.521 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.128 -12.598 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.320 -14.276 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.454 -14.091 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.073 -14.830 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.686 -13.555 -2.050 1.00 0.00 H new ATOM 1435 N SER A 108 -4.691 -14.569 -0.965 1.00 0.00 N ATOM 1436 CA SER A 108 -5.512 -15.791 -0.737 1.00 0.00 C ATOM 1437 C SER A 108 -4.655 -16.968 -0.278 1.00 0.00 C ATOM 1438 O SER A 108 -4.796 -18.088 -0.727 1.00 0.00 O ATOM 1439 CB SER A 108 -6.209 -16.143 -2.049 1.00 0.00 C ATOM 1440 OG SER A 108 -7.099 -17.190 -1.692 1.00 0.00 O ATOM 0 H SER A 108 -4.479 -14.359 -1.940 1.00 0.00 H new ATOM 0 HA SER A 108 -6.238 -15.590 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.744 -15.287 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.495 -16.466 -2.807 1.00 0.00 H new ATOM 0 HG SER A 108 -6.605 -17.892 -1.220 1.00 0.00 H new TER 1446 SER A 108