USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=26 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 94 SER OG : rot -62:sc= 1.02 USER MOD Set 1.2: A 96 SER OG : rot -65:sc= 0.0239 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0.351 USER MOD Set 2.2: A 66 ASN :FLIP amide:sc= -0.263 F(o=-2.8!,f=0.089) USER MOD Set 3.1: A 52 SER OG : rot 42:sc= -0.805 USER MOD Set 3.2: A 54 ASN :FLIP amide:sc= -0.92 F(o=-3.1!,f=-0.81) USER MOD Set 3.3: A 93 SER OG : rot 76:sc= 0.914 USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0.924 USER MOD Set 4.2: A 104 SER OG : rot 116:sc= 1.12 USER MOD Single : A 15 THR OG1 : rot -104:sc= -0.273! USER MOD Single : A 19 GLN :FLIP amide:sc= -9.67! C(o=-11!,f=-9.7!) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.36 F(o=-7.2!,f=-1.4) USER MOD Single : A 35 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-5.5!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0324 F(o=-1.2!,f=-0.032) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.47 F(o=-3.3!,f=-1.5) USER MOD Single : A 61 GLN :FLIP amide:sc= -4.44! C(o=-8.5!,f=-4.4!) USER MOD Single : A 68 THR OG1 : rot -57:sc= 0.866 USER MOD Single : A 71 THR OG1 : rot -76:sc= 1.66 USER MOD Single : A 80 SER OG : rot 180:sc= 0.722! USER MOD Single : A 85 SER OG : rot -104:sc= 1.46 USER MOD Single : A 88 TYR OH : rot 53:sc= 0.532 USER MOD Single : A 92 THR OG1 : rot 2:sc= 0.626 USER MOD Single : A 98 SER OG : rot 48:sc= 0.419 USER MOD Single : A 100 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 101 THR OG1 : rot -126:sc= -2.9! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.25) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 14 -1.762 19.710 -9.942 1.00 0.00 N ATOM 2 CA PRO A 14 -3.026 20.046 -9.247 1.00 0.00 C ATOM 3 C PRO A 14 -3.381 18.979 -8.207 1.00 0.00 C ATOM 4 O PRO A 14 -3.409 19.242 -7.020 1.00 0.00 O ATOM 5 CB PRO A 14 -4.078 20.077 -10.359 1.00 0.00 C ATOM 6 CG PRO A 14 -3.468 19.304 -11.565 1.00 0.00 C ATOM 7 CD PRO A 14 -1.946 19.214 -11.327 1.00 0.00 C ATOM 0 HA PRO A 14 -2.958 20.990 -8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.006 19.611 -10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.318 21.103 -10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.904 18.308 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.681 19.821 -12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.586 18.191 -11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.395 19.822 -12.044 1.00 0.00 H new ATOM 15 N THR A 15 -3.594 17.783 -8.689 1.00 0.00 N ATOM 16 CA THR A 15 -3.966 16.669 -7.786 1.00 0.00 C ATOM 17 C THR A 15 -3.284 15.455 -8.383 1.00 0.00 C ATOM 18 O THR A 15 -3.136 15.356 -9.585 1.00 0.00 O ATOM 19 CB THR A 15 -5.485 16.498 -7.797 1.00 0.00 C ATOM 20 OG1 THR A 15 -5.740 15.479 -6.841 1.00 0.00 O ATOM 21 CG2 THR A 15 -5.963 15.897 -9.124 1.00 0.00 C ATOM 0 H THR A 15 -3.524 17.534 -9.676 1.00 0.00 H new ATOM 0 HA THR A 15 -3.667 16.834 -6.751 1.00 0.00 H new ATOM 0 HB THR A 15 -5.969 17.458 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.944 14.640 -7.304 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.047 15.787 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.681 16.556 -9.945 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.501 14.920 -9.268 1.00 0.00 H new ATOM 29 N LEU A 16 -2.903 14.543 -7.542 1.00 0.00 N ATOM 30 CA LEU A 16 -2.194 13.361 -8.068 1.00 0.00 C ATOM 31 C LEU A 16 -2.887 12.079 -7.658 1.00 0.00 C ATOM 32 O LEU A 16 -3.383 11.923 -6.556 1.00 0.00 O ATOM 33 CB LEU A 16 -0.786 13.372 -7.505 1.00 0.00 C ATOM 34 CG LEU A 16 0.186 13.906 -8.561 1.00 0.00 C ATOM 35 CD1 LEU A 16 -0.081 15.400 -8.765 1.00 0.00 C ATOM 36 CD2 LEU A 16 1.615 13.729 -8.044 1.00 0.00 C ATOM 0 H LEU A 16 -3.049 14.565 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.183 13.403 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.746 13.995 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.496 12.365 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 16 0.055 13.369 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.605 15.793 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.108 15.543 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.069 15.928 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.320 14.105 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.737 14.284 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.808 12.672 -7.863 1.00 0.00 H new ATOM 48 N PRO A 17 -2.708 11.157 -8.558 1.00 0.00 N ATOM 49 CA PRO A 17 -3.753 10.562 -9.411 1.00 0.00 C ATOM 50 C PRO A 17 -5.167 10.693 -8.861 1.00 0.00 C ATOM 51 O PRO A 17 -6.110 10.817 -9.617 1.00 0.00 O ATOM 52 CB PRO A 17 -3.263 9.125 -9.572 1.00 0.00 C ATOM 53 CG PRO A 17 -1.701 9.212 -9.423 1.00 0.00 C ATOM 54 CD PRO A 17 -1.377 10.599 -8.819 1.00 0.00 C ATOM 0 HA PRO A 17 -3.869 11.078 -10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.697 8.472 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.545 8.718 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.331 8.415 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.215 9.090 -10.391 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.787 10.515 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.807 11.219 -9.511 1.00 0.00 H new ATOM 62 N GLU A 18 -5.302 10.662 -7.565 1.00 0.00 N ATOM 63 CA GLU A 18 -6.667 10.822 -7.007 1.00 0.00 C ATOM 64 C GLU A 18 -6.829 12.245 -6.470 1.00 0.00 C ATOM 65 O GLU A 18 -6.799 13.190 -7.232 1.00 0.00 O ATOM 66 CB GLU A 18 -6.891 9.779 -5.911 1.00 0.00 C ATOM 67 CG GLU A 18 -6.808 8.380 -6.544 1.00 0.00 C ATOM 68 CD GLU A 18 -7.785 8.277 -7.726 1.00 0.00 C ATOM 69 OE1 GLU A 18 -8.742 9.032 -7.717 1.00 0.00 O ATOM 70 OE2 GLU A 18 -7.504 7.449 -8.577 1.00 0.00 O ATOM 0 H GLU A 18 -4.550 10.537 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.416 10.664 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.140 9.885 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.864 9.925 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.791 8.186 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.045 7.620 -5.799 1.00 0.00 H new ATOM 77 N GLN A 19 -6.971 12.382 -5.181 1.00 0.00 N ATOM 78 CA GLN A 19 -7.164 13.748 -4.615 1.00 0.00 C ATOM 79 C GLN A 19 -6.651 13.815 -3.176 1.00 0.00 C ATOM 80 O GLN A 19 -5.477 14.011 -2.930 1.00 0.00 O ATOM 81 CB GLN A 19 -8.670 14.094 -4.619 1.00 0.00 C ATOM 82 CG GLN A 19 -9.249 14.013 -6.040 1.00 0.00 C ATOM 83 CD GLN A 19 -9.523 12.547 -6.384 1.00 0.00 C ATOM 84 OE1 GLN A 19 -9.121 12.077 -7.533 1.00 0.00 O flip ATOM 85 NE2 GLN A 19 -10.091 11.808 -5.604 1.00 0.00 N flip ATOM 0 H GLN A 19 -6.962 11.620 -4.503 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.606 14.457 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.206 13.407 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.818 15.097 -4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.169 14.593 -6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.549 14.443 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.409 12.165 -4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.249 10.831 -5.850 1.00 0.00 H new ATOM 94 N ALA A 20 -7.565 13.652 -2.259 1.00 0.00 N ATOM 95 CA ALA A 20 -7.203 13.702 -0.814 1.00 0.00 C ATOM 96 C ALA A 20 -8.294 13.015 0.010 1.00 0.00 C ATOM 97 O ALA A 20 -8.018 12.205 0.872 1.00 0.00 O ATOM 98 CB ALA A 20 -7.085 15.168 -0.392 1.00 0.00 C ATOM 0 H ALA A 20 -8.553 13.485 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.256 13.189 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.820 15.222 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.312 15.656 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.038 15.671 -0.553 1.00 0.00 H new ATOM 104 N GLN A 21 -9.520 13.361 -0.284 1.00 0.00 N ATOM 105 CA GLN A 21 -10.659 12.748 0.460 1.00 0.00 C ATOM 106 C GLN A 21 -11.644 12.027 -0.479 1.00 0.00 C ATOM 107 O GLN A 21 -11.736 10.816 -0.439 1.00 0.00 O ATOM 108 CB GLN A 21 -11.380 13.849 1.254 1.00 0.00 C ATOM 109 CG GLN A 21 -10.643 14.073 2.578 1.00 0.00 C ATOM 110 CD GLN A 21 -9.440 14.987 2.333 1.00 0.00 C ATOM 111 OE1 GLN A 21 -8.238 14.507 2.495 1.00 0.00 O flip ATOM 112 NE2 GLN A 21 -9.583 16.145 1.992 1.00 0.00 N flip ATOM 0 H GLN A 21 -9.781 14.037 -1.002 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.263 11.992 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.407 14.773 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.414 13.561 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.314 14.522 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.313 13.120 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.520 16.527 1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.766 16.735 1.834 1.00 0.00 H new ATOM 121 N PRO A 22 -12.357 12.765 -1.295 1.00 0.00 N ATOM 122 CA PRO A 22 -13.317 12.168 -2.258 1.00 0.00 C ATOM 123 C PRO A 22 -12.624 11.233 -3.255 1.00 0.00 C ATOM 124 O PRO A 22 -12.287 11.628 -4.354 1.00 0.00 O ATOM 125 CB PRO A 22 -13.954 13.365 -2.979 1.00 0.00 C ATOM 126 CG PRO A 22 -13.122 14.618 -2.594 1.00 0.00 C ATOM 127 CD PRO A 22 -12.300 14.247 -1.348 1.00 0.00 C ATOM 0 HA PRO A 22 -14.056 11.550 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.947 13.214 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.995 13.486 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -12.467 14.913 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.775 15.466 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.273 14.602 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.721 14.693 -0.447 1.00 0.00 H new ATOM 135 N TRP A 23 -12.432 10.009 -2.843 1.00 0.00 N ATOM 136 CA TRP A 23 -11.767 9.016 -3.737 1.00 0.00 C ATOM 137 C TRP A 23 -12.716 7.831 -3.955 1.00 0.00 C ATOM 138 O TRP A 23 -13.502 7.828 -4.883 1.00 0.00 O ATOM 139 CB TRP A 23 -10.476 8.567 -3.041 1.00 0.00 C ATOM 140 CG TRP A 23 -9.667 7.541 -3.858 1.00 0.00 C ATOM 141 CD1 TRP A 23 -8.551 6.937 -3.363 1.00 0.00 C ATOM 142 CD2 TRP A 23 -9.877 7.111 -5.129 1.00 0.00 C ATOM 143 NE1 TRP A 23 -8.146 6.185 -4.362 1.00 0.00 N ATOM 144 CE2 TRP A 23 -8.880 6.211 -5.463 1.00 0.00 C ATOM 145 CE3 TRP A 23 -10.847 7.406 -6.075 1.00 0.00 C ATOM 146 CZ2 TRP A 23 -8.854 5.606 -6.703 1.00 0.00 C ATOM 147 CZ3 TRP A 23 -10.823 6.803 -7.318 1.00 0.00 C ATOM 148 CH2 TRP A 23 -9.829 5.901 -7.633 1.00 0.00 C ATOM 0 H TRP A 23 -12.706 9.653 -1.927 1.00 0.00 H new ATOM 0 HA TRP A 23 -11.529 9.444 -4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -9.853 9.440 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -10.726 8.134 -2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -8.106 7.049 -2.385 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.307 5.609 -4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -11.628 8.113 -5.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.071 4.902 -6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -11.586 7.039 -8.045 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.814 5.428 -8.604 1.00 0.00 H new ATOM 159 N GLY A 24 -12.641 6.862 -3.085 1.00 0.00 N ATOM 160 CA GLY A 24 -13.536 5.679 -3.226 1.00 0.00 C ATOM 161 C GLY A 24 -14.576 5.698 -2.107 1.00 0.00 C ATOM 162 O GLY A 24 -15.766 5.697 -2.352 1.00 0.00 O ATOM 0 H GLY A 24 -12.004 6.837 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.030 5.696 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.953 4.759 -3.181 1.00 0.00 H new ATOM 166 N VAL A 25 -14.088 5.712 -0.897 1.00 0.00 N ATOM 167 CA VAL A 25 -15.009 5.738 0.276 1.00 0.00 C ATOM 168 C VAL A 25 -14.485 6.724 1.327 1.00 0.00 C ATOM 169 O VAL A 25 -13.315 7.052 1.348 1.00 0.00 O ATOM 170 CB VAL A 25 -15.078 4.327 0.868 1.00 0.00 C ATOM 171 CG1 VAL A 25 -16.032 3.483 0.020 1.00 0.00 C ATOM 172 CG2 VAL A 25 -13.684 3.693 0.804 1.00 0.00 C ATOM 0 H VAL A 25 -13.094 5.707 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.003 6.059 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.426 4.373 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.090 2.475 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.023 3.936 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.663 3.436 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.722 2.688 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.355 3.641 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.982 4.299 1.377 1.00 0.00 H new ATOM 182 N PRO A 26 -15.396 7.195 2.140 1.00 0.00 N ATOM 183 CA PRO A 26 -15.117 7.568 3.547 1.00 0.00 C ATOM 184 C PRO A 26 -15.224 6.344 4.464 1.00 0.00 C ATOM 185 O PRO A 26 -15.751 6.419 5.556 1.00 0.00 O ATOM 186 CB PRO A 26 -16.210 8.584 3.882 1.00 0.00 C ATOM 187 CG PRO A 26 -17.368 8.317 2.874 1.00 0.00 C ATOM 188 CD PRO A 26 -16.777 7.504 1.702 1.00 0.00 C ATOM 0 HA PRO A 26 -14.112 7.967 3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.552 8.464 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.837 9.604 3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.177 7.766 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.790 9.256 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.350 6.595 1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -16.783 8.078 0.775 1.00 0.00 H new ATOM 196 N VAL A 27 -14.713 5.242 3.988 1.00 0.00 N ATOM 197 CA VAL A 27 -14.760 3.984 4.789 1.00 0.00 C ATOM 198 C VAL A 27 -13.369 3.405 4.824 1.00 0.00 C ATOM 199 O VAL A 27 -12.786 3.176 5.865 1.00 0.00 O ATOM 200 CB VAL A 27 -15.723 2.997 4.119 1.00 0.00 C ATOM 201 CG1 VAL A 27 -15.885 1.769 5.020 1.00 0.00 C ATOM 202 CG2 VAL A 27 -17.090 3.668 3.953 1.00 0.00 C ATOM 0 H VAL A 27 -14.263 5.157 3.076 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.108 4.181 5.803 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.331 2.700 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.569 1.061 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.915 1.294 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.287 2.077 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.781 2.973 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.477 3.952 4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.986 4.558 3.332 1.00 0.00 H new ATOM 212 N GLU A 28 -12.882 3.197 3.642 1.00 0.00 N ATOM 213 CA GLU A 28 -11.524 2.643 3.495 1.00 0.00 C ATOM 214 C GLU A 28 -11.008 3.156 2.158 1.00 0.00 C ATOM 215 O GLU A 28 -10.747 4.328 1.978 1.00 0.00 O ATOM 216 CB GLU A 28 -11.637 1.108 3.487 1.00 0.00 C ATOM 217 CG GLU A 28 -11.926 0.612 4.907 1.00 0.00 C ATOM 218 CD GLU A 28 -11.750 -0.908 4.944 1.00 0.00 C ATOM 219 OE1 GLU A 28 -12.532 -1.560 4.272 1.00 0.00 O ATOM 220 OE2 GLU A 28 -10.840 -1.328 5.639 1.00 0.00 O ATOM 0 H GLU A 28 -13.371 3.389 2.768 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.850 2.935 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.433 0.794 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.712 0.666 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.250 1.088 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.940 0.882 5.202 1.00 0.00 H new ATOM 227 N VAL A 29 -10.838 2.214 1.284 1.00 0.00 N ATOM 228 CA VAL A 29 -10.386 2.516 -0.106 1.00 0.00 C ATOM 229 C VAL A 29 -10.669 1.353 -1.032 1.00 0.00 C ATOM 230 O VAL A 29 -11.646 1.321 -1.755 1.00 0.00 O ATOM 231 CB VAL A 29 -8.889 2.828 -0.198 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.424 2.568 -1.636 1.00 0.00 C ATOM 233 CG2 VAL A 29 -8.678 4.310 0.027 1.00 0.00 C ATOM 0 H VAL A 29 -10.995 1.224 1.473 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.948 3.401 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.354 2.221 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.359 2.786 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.602 1.524 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.980 3.210 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.614 4.540 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.218 4.874 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.050 4.585 1.014 1.00 0.00 H new ATOM 243 N GLU A 30 -9.765 0.418 -0.962 1.00 0.00 N ATOM 244 CA GLU A 30 -9.893 -0.769 -1.854 1.00 0.00 C ATOM 245 C GLU A 30 -9.595 -2.097 -1.165 1.00 0.00 C ATOM 246 O GLU A 30 -8.500 -2.350 -0.704 1.00 0.00 O ATOM 247 CB GLU A 30 -8.928 -0.588 -3.032 1.00 0.00 C ATOM 248 CG GLU A 30 -8.972 -1.833 -3.932 1.00 0.00 C ATOM 249 CD GLU A 30 -10.346 -1.935 -4.600 1.00 0.00 C ATOM 250 OE1 GLU A 30 -11.247 -2.402 -3.923 1.00 0.00 O ATOM 251 OE2 GLU A 30 -10.414 -1.539 -5.752 1.00 0.00 O ATOM 0 H GLU A 30 -8.957 0.421 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.933 -0.819 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.201 0.298 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.915 -0.429 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.191 -1.774 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.776 -2.728 -3.342 1.00 0.00 H new ATOM 258 N SER A 31 -10.608 -2.915 -1.125 1.00 0.00 N ATOM 259 CA SER A 31 -10.447 -4.267 -0.520 1.00 0.00 C ATOM 260 C SER A 31 -10.254 -5.289 -1.653 1.00 0.00 C ATOM 261 O SER A 31 -11.164 -5.568 -2.407 1.00 0.00 O ATOM 262 CB SER A 31 -11.701 -4.603 0.285 1.00 0.00 C ATOM 263 OG SER A 31 -11.889 -3.459 1.108 1.00 0.00 O ATOM 0 H SER A 31 -11.540 -2.707 -1.484 1.00 0.00 H new ATOM 0 HA SER A 31 -9.582 -4.292 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.560 -4.775 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.565 -5.506 0.880 1.00 0.00 H new ATOM 0 HG SER A 31 -12.684 -3.585 1.667 1.00 0.00 H new ATOM 269 N LEU A 32 -9.061 -5.817 -1.734 1.00 0.00 N ATOM 270 CA LEU A 32 -8.742 -6.801 -2.812 1.00 0.00 C ATOM 271 C LEU A 32 -8.196 -8.145 -2.296 1.00 0.00 C ATOM 272 O LEU A 32 -7.453 -8.223 -1.334 1.00 0.00 O ATOM 273 CB LEU A 32 -7.700 -6.161 -3.740 1.00 0.00 C ATOM 274 CG LEU A 32 -7.359 -7.134 -4.879 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.598 -7.339 -5.758 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.247 -6.518 -5.733 1.00 0.00 C ATOM 0 H LEU A 32 -8.291 -5.609 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.675 -7.032 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.087 -5.228 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.800 -5.914 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.037 -8.090 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.360 -8.029 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.407 -7.752 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.909 -6.382 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.994 -7.198 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.589 -5.569 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.365 -6.348 -5.115 1.00 0.00 H new ATOM 288 N LEU A 33 -8.569 -9.173 -3.014 1.00 0.00 N ATOM 289 CA LEU A 33 -8.127 -10.553 -2.661 1.00 0.00 C ATOM 290 C LEU A 33 -7.135 -11.064 -3.709 1.00 0.00 C ATOM 291 O LEU A 33 -7.372 -10.967 -4.898 1.00 0.00 O ATOM 292 CB LEU A 33 -9.355 -11.480 -2.629 1.00 0.00 C ATOM 293 CG LEU A 33 -10.133 -11.368 -3.953 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.830 -12.705 -4.224 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.212 -10.287 -3.823 1.00 0.00 C ATOM 0 H LEU A 33 -9.167 -9.113 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.643 -10.541 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.039 -12.511 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.002 -11.212 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.446 -11.115 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.386 -12.642 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.084 -13.496 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.517 -12.929 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.763 -10.208 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.899 -10.554 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.743 -9.330 -3.596 1.00 0.00 H new ATOM 307 N VAL A 34 -6.030 -11.579 -3.244 1.00 0.00 N ATOM 308 CA VAL A 34 -5.007 -12.097 -4.202 1.00 0.00 C ATOM 309 C VAL A 34 -4.434 -13.449 -3.751 1.00 0.00 C ATOM 310 O VAL A 34 -4.620 -13.869 -2.627 1.00 0.00 O ATOM 311 CB VAL A 34 -3.872 -11.061 -4.301 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.860 -10.473 -5.717 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.123 -9.918 -3.308 1.00 0.00 C ATOM 0 H VAL A 34 -5.791 -11.664 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.481 -12.252 -5.171 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.922 -11.546 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.060 -9.738 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.695 -11.271 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.817 -9.992 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.317 -9.188 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.072 -9.436 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.158 -10.318 -2.295 1.00 0.00 H new ATOM 323 N HIS A 35 -3.749 -14.119 -4.641 1.00 0.00 N ATOM 324 CA HIS A 35 -3.151 -15.436 -4.271 1.00 0.00 C ATOM 325 C HIS A 35 -1.688 -15.485 -4.727 1.00 0.00 C ATOM 326 O HIS A 35 -1.254 -14.683 -5.531 1.00 0.00 O ATOM 327 CB HIS A 35 -3.941 -16.549 -4.968 1.00 0.00 C ATOM 328 CG HIS A 35 -5.297 -15.992 -5.399 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.458 -15.010 -6.223 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.581 -16.360 -5.042 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.723 -14.778 -6.378 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.458 -15.594 -5.662 1.00 0.00 N ATOM 0 H HIS A 35 -3.579 -13.815 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.192 -15.570 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.391 -16.917 -5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.077 -17.395 -4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.829 -17.157 -4.357 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.123 -14.006 -7.019 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.475 -15.629 -5.599 1.00 0.00 H new ATOM 340 N PRO A 36 -0.973 -16.446 -4.206 1.00 0.00 N ATOM 341 CA PRO A 36 0.489 -16.333 -4.000 1.00 0.00 C ATOM 342 C PRO A 36 1.257 -16.164 -5.318 1.00 0.00 C ATOM 343 O PRO A 36 1.739 -17.122 -5.889 1.00 0.00 O ATOM 344 CB PRO A 36 0.893 -17.633 -3.291 1.00 0.00 C ATOM 345 CG PRO A 36 -0.356 -18.562 -3.278 1.00 0.00 C ATOM 346 CD PRO A 36 -1.557 -17.738 -3.774 1.00 0.00 C ATOM 0 HA PRO A 36 0.733 -15.446 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.723 -18.112 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.230 -17.428 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.195 -19.428 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.541 -18.940 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.067 -18.237 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.293 -17.595 -2.983 1.00 0.00 H new ATOM 354 N GLY A 37 1.345 -14.942 -5.770 1.00 0.00 N ATOM 355 CA GLY A 37 2.085 -14.669 -7.036 1.00 0.00 C ATOM 356 C GLY A 37 1.344 -13.674 -7.936 1.00 0.00 C ATOM 357 O GLY A 37 1.427 -13.764 -9.145 1.00 0.00 O ATOM 0 H GLY A 37 0.938 -14.123 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.074 -14.276 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.234 -15.604 -7.576 1.00 0.00 H new ATOM 361 N ASP A 38 0.638 -12.746 -7.343 1.00 0.00 N ATOM 362 CA ASP A 38 -0.094 -11.753 -8.186 1.00 0.00 C ATOM 363 C ASP A 38 0.386 -10.309 -7.989 1.00 0.00 C ATOM 364 O ASP A 38 1.248 -10.014 -7.181 1.00 0.00 O ATOM 365 CB ASP A 38 -1.585 -11.797 -7.831 1.00 0.00 C ATOM 366 CG ASP A 38 -2.190 -13.153 -8.205 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.773 -13.682 -9.222 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.053 -13.569 -7.449 1.00 0.00 O ATOM 0 H ASP A 38 0.537 -12.633 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 38 0.096 -12.031 -9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.715 -11.617 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.113 -11.000 -8.356 1.00 0.00 H new ATOM 373 N LEU A 39 -0.219 -9.448 -8.764 1.00 0.00 N ATOM 374 CA LEU A 39 0.097 -7.997 -8.697 1.00 0.00 C ATOM 375 C LEU A 39 -1.051 -7.281 -7.981 1.00 0.00 C ATOM 376 O LEU A 39 -2.162 -7.202 -8.467 1.00 0.00 O ATOM 377 CB LEU A 39 0.253 -7.448 -10.122 1.00 0.00 C ATOM 378 CG LEU A 39 -0.867 -8.000 -11.015 1.00 0.00 C ATOM 379 CD1 LEU A 39 -1.202 -6.953 -12.083 1.00 0.00 C ATOM 380 CD2 LEU A 39 -0.363 -9.264 -11.722 1.00 0.00 C ATOM 0 H LEU A 39 -0.930 -9.697 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 39 1.026 -7.834 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.217 -6.359 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.225 -7.729 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.746 -8.229 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.997 -7.331 -12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.532 -6.033 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.315 -6.749 -12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.152 -9.664 -12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.506 -9.018 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.084 -10.010 -10.978 1.00 0.00 H new ATOM 392 N LEU A 40 -0.725 -6.779 -6.825 1.00 0.00 N ATOM 393 CA LEU A 40 -1.726 -6.055 -5.989 1.00 0.00 C ATOM 394 C LEU A 40 -1.298 -4.588 -5.891 1.00 0.00 C ATOM 395 O LEU A 40 -0.139 -4.305 -5.674 1.00 0.00 O ATOM 396 CB LEU A 40 -1.739 -6.731 -4.606 1.00 0.00 C ATOM 397 CG LEU A 40 -1.916 -5.689 -3.494 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.324 -5.092 -3.574 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.760 -6.389 -2.143 1.00 0.00 C ATOM 0 H LEU A 40 0.207 -6.840 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.728 -6.091 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.548 -7.460 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.808 -7.277 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.174 -4.899 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.451 -4.352 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.462 -4.615 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.063 -5.884 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.883 -5.662 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.517 -7.167 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.769 -6.837 -2.078 1.00 0.00 H new ATOM 411 N GLN A 41 -2.225 -3.683 -6.052 1.00 0.00 N ATOM 412 CA GLN A 41 -1.840 -2.242 -5.989 1.00 0.00 C ATOM 413 C GLN A 41 -2.599 -1.459 -4.915 1.00 0.00 C ATOM 414 O GLN A 41 -3.570 -1.927 -4.357 1.00 0.00 O ATOM 415 CB GLN A 41 -2.130 -1.619 -7.350 1.00 0.00 C ATOM 416 CG GLN A 41 -3.650 -1.593 -7.559 1.00 0.00 C ATOM 417 CD GLN A 41 -3.947 -1.159 -8.993 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.170 -1.584 -9.950 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -4.890 -0.439 -9.257 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.213 -3.872 -6.221 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.783 -2.192 -5.728 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.724 -0.609 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.649 -2.195 -8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.073 -2.579 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.115 -0.905 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.500 -0.104 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.071 -0.170 -10.224 1.00 0.00 H new ATOM 428 N LEU A 42 -2.128 -0.260 -4.687 1.00 0.00 N ATOM 429 CA LEU A 42 -2.760 0.639 -3.677 1.00 0.00 C ATOM 430 C LEU A 42 -2.586 2.084 -4.165 1.00 0.00 C ATOM 431 O LEU A 42 -1.519 2.635 -3.996 1.00 0.00 O ATOM 432 CB LEU A 42 -2.039 0.522 -2.314 1.00 0.00 C ATOM 433 CG LEU A 42 -1.598 -0.917 -2.016 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.597 -0.882 -0.844 1.00 0.00 C ATOM 435 CD2 LEU A 42 -2.816 -1.723 -1.564 1.00 0.00 C ATOM 0 H LEU A 42 -1.320 0.139 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.808 0.364 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.167 1.176 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.703 0.869 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.150 -1.364 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.270 -1.896 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.266 -0.276 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.078 -0.449 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.515 -2.748 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.237 -1.273 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.566 -1.723 -2.355 1.00 0.00 H new ATOM 447 N ARG A 43 -3.579 2.650 -4.799 1.00 0.00 N ATOM 448 CA ARG A 43 -3.424 4.064 -5.267 1.00 0.00 C ATOM 449 C ARG A 43 -4.106 5.021 -4.295 1.00 0.00 C ATOM 450 O ARG A 43 -5.316 5.083 -4.203 1.00 0.00 O ATOM 451 CB ARG A 43 -4.050 4.213 -6.656 1.00 0.00 C ATOM 452 CG ARG A 43 -3.770 5.636 -7.163 1.00 0.00 C ATOM 453 CD ARG A 43 -2.313 5.730 -7.618 1.00 0.00 C ATOM 454 NE ARG A 43 -2.159 4.928 -8.864 1.00 0.00 N ATOM 455 CZ ARG A 43 -1.745 5.514 -9.954 1.00 0.00 C ATOM 456 NH1 ARG A 43 -2.627 5.961 -10.805 1.00 0.00 N ATOM 457 NH2 ARG A 43 -0.461 5.635 -10.156 1.00 0.00 N ATOM 0 H ARG A 43 -4.474 2.208 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.362 4.307 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.631 3.477 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.124 4.031 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.438 5.878 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.964 6.361 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.038 6.769 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.648 5.355 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.375 3.931 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.623 5.850 -10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.321 6.422 -11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.200 5.274 -9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.119 6.090 -11.002 1.00 0.00 H new ATOM 471 N CYS A 44 -3.281 5.824 -3.676 1.00 0.00 N ATOM 472 CA CYS A 44 -3.778 6.786 -2.656 1.00 0.00 C ATOM 473 C CYS A 44 -4.356 8.049 -3.295 1.00 0.00 C ATOM 474 O CYS A 44 -4.773 8.053 -4.436 1.00 0.00 O ATOM 475 CB CYS A 44 -2.592 7.167 -1.763 1.00 0.00 C ATOM 476 SG CYS A 44 -2.940 7.950 -0.170 1.00 0.00 S ATOM 0 H CYS A 44 -2.274 5.852 -3.837 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.579 6.317 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.016 6.262 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.949 7.839 -2.331 1.00 0.00 H new ATOM 481 N ARG A 45 -4.353 9.090 -2.512 1.00 0.00 N ATOM 482 CA ARG A 45 -4.895 10.397 -2.982 1.00 0.00 C ATOM 483 C ARG A 45 -3.960 11.511 -2.527 1.00 0.00 C ATOM 484 O ARG A 45 -3.824 11.742 -1.342 1.00 0.00 O ATOM 485 CB ARG A 45 -6.279 10.639 -2.347 1.00 0.00 C ATOM 486 CG ARG A 45 -6.857 9.331 -1.788 1.00 0.00 C ATOM 487 CD ARG A 45 -7.878 9.679 -0.694 1.00 0.00 C ATOM 488 NE ARG A 45 -8.347 8.411 -0.064 1.00 0.00 N ATOM 489 CZ ARG A 45 -9.494 8.378 0.560 1.00 0.00 C ATOM 490 NH1 ARG A 45 -9.701 9.193 1.560 1.00 0.00 N ATOM 491 NH2 ARG A 45 -10.393 7.517 0.166 1.00 0.00 N ATOM 0 H ARG A 45 -3.995 9.093 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.979 10.385 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.194 11.375 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.959 11.054 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.334 8.757 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.061 8.709 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.425 10.329 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.720 10.224 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.772 7.570 -0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.971 9.846 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.593 9.177 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.192 6.890 -0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.297 7.472 0.637 1.00 0.00 H new ATOM 505 N LEU A 46 -3.328 12.192 -3.447 1.00 0.00 N ATOM 506 CA LEU A 46 -2.419 13.274 -2.977 1.00 0.00 C ATOM 507 C LEU A 46 -2.669 14.575 -3.741 1.00 0.00 C ATOM 508 O LEU A 46 -3.261 14.588 -4.799 1.00 0.00 O ATOM 509 CB LEU A 46 -0.973 12.786 -3.137 1.00 0.00 C ATOM 510 CG LEU A 46 -0.447 13.092 -4.533 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.303 14.431 -4.505 1.00 0.00 C ATOM 512 CD2 LEU A 46 0.536 11.987 -4.930 1.00 0.00 C ATOM 0 H LEU A 46 -3.396 12.056 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.611 13.495 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.339 13.266 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.925 11.713 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.272 13.145 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.682 14.656 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.377 15.222 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.136 14.367 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.925 12.187 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.361 11.961 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.023 11.025 -4.927 1.00 0.00 H new ATOM 524 N ARG A 47 -2.209 15.660 -3.183 1.00 0.00 N ATOM 525 CA ARG A 47 -2.437 16.960 -3.872 1.00 0.00 C ATOM 526 C ARG A 47 -1.249 17.889 -3.640 1.00 0.00 C ATOM 527 O ARG A 47 -0.223 17.473 -3.139 1.00 0.00 O ATOM 528 CB ARG A 47 -3.710 17.583 -3.287 1.00 0.00 C ATOM 529 CG ARG A 47 -4.446 18.350 -4.387 1.00 0.00 C ATOM 530 CD ARG A 47 -5.948 18.313 -4.093 1.00 0.00 C ATOM 531 NE ARG A 47 -6.651 17.901 -5.341 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.632 18.631 -5.795 1.00 0.00 C ATOM 533 NH1 ARG A 47 -8.859 18.255 -5.557 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.355 19.710 -6.474 1.00 0.00 N ATOM 0 H ARG A 47 -1.697 15.705 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.546 16.807 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.354 16.806 -2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.457 18.254 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.095 19.381 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.241 17.904 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.161 17.612 -3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.296 19.292 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.367 17.055 -5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.037 17.404 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.640 18.813 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.384 19.971 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.110 20.292 -6.836 1.00 0.00 H new ATOM 548 N ASP A 48 -1.401 19.118 -4.053 1.00 0.00 N ATOM 549 CA ASP A 48 -0.301 20.098 -3.832 1.00 0.00 C ATOM 550 C ASP A 48 -0.163 20.415 -2.334 1.00 0.00 C ATOM 551 O ASP A 48 0.207 21.509 -1.957 1.00 0.00 O ATOM 552 CB ASP A 48 -0.627 21.383 -4.609 1.00 0.00 C ATOM 553 CG ASP A 48 -1.981 21.955 -4.160 1.00 0.00 C ATOM 554 OD1 ASP A 48 -2.589 21.345 -3.296 1.00 0.00 O ATOM 555 OD2 ASP A 48 -2.330 22.983 -4.718 1.00 0.00 O ATOM 0 H ASP A 48 -2.227 19.482 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 48 0.641 19.677 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.158 22.122 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.651 21.172 -5.678 1.00 0.00 H new ATOM 560 N ASP A 49 -0.471 19.442 -1.518 1.00 0.00 N ATOM 561 CA ASP A 49 -0.371 19.631 -0.044 1.00 0.00 C ATOM 562 C ASP A 49 0.468 18.493 0.540 1.00 0.00 C ATOM 563 O ASP A 49 1.554 18.717 1.034 1.00 0.00 O ATOM 564 CB ASP A 49 -1.781 19.597 0.550 1.00 0.00 C ATOM 565 CG ASP A 49 -2.656 20.617 -0.187 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.310 21.783 -0.106 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.616 20.168 -0.790 1.00 0.00 O ATOM 0 H ASP A 49 -0.789 18.519 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 49 0.099 20.586 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.206 18.598 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.747 19.829 1.614 1.00 0.00 H new ATOM 572 N VAL A 50 -0.037 17.291 0.434 1.00 0.00 N ATOM 573 CA VAL A 50 0.721 16.132 0.973 1.00 0.00 C ATOM 574 C VAL A 50 1.886 15.801 0.045 1.00 0.00 C ATOM 575 O VAL A 50 1.809 15.946 -1.159 1.00 0.00 O ATOM 576 CB VAL A 50 -0.221 14.930 1.089 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.242 15.212 2.195 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.971 14.748 -0.232 1.00 0.00 C ATOM 0 H VAL A 50 -0.933 17.067 0.001 1.00 0.00 H new ATOM 0 HA VAL A 50 1.119 16.376 1.958 1.00 0.00 H new ATOM 0 HB VAL A 50 0.352 14.031 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.920 14.364 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.721 15.367 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.812 16.106 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.643 13.893 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.550 15.646 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.255 14.575 -1.036 1.00 0.00 H new ATOM 588 N GLN A 51 2.939 15.360 0.667 1.00 0.00 N ATOM 589 CA GLN A 51 4.178 15.007 -0.080 1.00 0.00 C ATOM 590 C GLN A 51 4.740 13.675 0.418 1.00 0.00 C ATOM 591 O GLN A 51 5.512 13.034 -0.265 1.00 0.00 O ATOM 592 CB GLN A 51 5.216 16.106 0.166 1.00 0.00 C ATOM 593 CG GLN A 51 4.565 17.469 -0.083 1.00 0.00 C ATOM 594 CD GLN A 51 5.187 18.500 0.858 1.00 0.00 C ATOM 595 OE1 GLN A 51 4.385 19.210 1.600 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 6.389 18.667 0.926 1.00 0.00 N flip ATOM 0 H GLN A 51 2.997 15.226 1.677 1.00 0.00 H new ATOM 0 HA GLN A 51 3.949 14.917 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.591 16.048 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.072 15.971 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.710 17.771 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.490 17.408 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.015 18.110 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.772 19.364 1.565 1.00 0.00 H new ATOM 605 N SER A 52 4.336 13.284 1.599 1.00 0.00 N ATOM 606 CA SER A 52 4.858 12.007 2.155 1.00 0.00 C ATOM 607 C SER A 52 3.724 11.008 2.313 1.00 0.00 C ATOM 608 O SER A 52 2.973 11.092 3.264 1.00 0.00 O ATOM 609 CB SER A 52 5.466 12.284 3.532 1.00 0.00 C ATOM 610 OG SER A 52 4.533 13.170 4.137 1.00 0.00 O ATOM 0 H SER A 52 3.677 13.787 2.193 1.00 0.00 H new ATOM 0 HA SER A 52 5.609 11.597 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.582 11.368 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.454 12.737 3.450 1.00 0.00 H new ATOM 0 HG SER A 52 3.621 12.867 3.943 1.00 0.00 H new ATOM 616 N ILE A 53 3.614 10.102 1.378 1.00 0.00 N ATOM 617 CA ILE A 53 2.533 9.093 1.496 1.00 0.00 C ATOM 618 C ILE A 53 3.121 7.781 1.992 1.00 0.00 C ATOM 619 O ILE A 53 3.872 7.109 1.312 1.00 0.00 O ATOM 620 CB ILE A 53 1.891 8.891 0.140 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.434 10.271 -0.355 1.00 0.00 C ATOM 622 CG2 ILE A 53 0.681 7.959 0.303 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.248 10.129 -1.308 1.00 0.00 C ATOM 0 H ILE A 53 4.213 10.020 0.557 1.00 0.00 H new ATOM 0 HA ILE A 53 1.779 9.438 2.204 1.00 0.00 H new ATOM 0 HB ILE A 53 2.585 8.445 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.154 10.895 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.258 10.774 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.208 7.804 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.011 7.000 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.036 8.410 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.064 11.116 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.541 9.524 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.580 9.646 -0.789 1.00 0.00 H new ATOM 635 N ASN A 54 2.739 7.470 3.194 1.00 0.00 N ATOM 636 CA ASN A 54 3.215 6.219 3.843 1.00 0.00 C ATOM 637 C ASN A 54 2.134 5.166 3.655 1.00 0.00 C ATOM 638 O ASN A 54 0.972 5.459 3.842 1.00 0.00 O ATOM 639 CB ASN A 54 3.359 6.467 5.338 1.00 0.00 C ATOM 640 CG ASN A 54 3.318 7.964 5.603 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.344 8.409 6.344 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 4.134 8.731 5.130 1.00 0.00 N flip ATOM 0 H ASN A 54 2.109 8.035 3.763 1.00 0.00 H new ATOM 0 HA ASN A 54 4.166 5.903 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.556 5.967 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.298 6.047 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.894 8.374 4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.059 9.732 5.312 1.00 0.00 H new ATOM 649 N TRP A 55 2.513 3.968 3.313 1.00 0.00 N ATOM 650 CA TRP A 55 1.467 2.931 3.142 1.00 0.00 C ATOM 651 C TRP A 55 1.540 2.041 4.372 1.00 0.00 C ATOM 652 O TRP A 55 2.403 1.194 4.480 1.00 0.00 O ATOM 653 CB TRP A 55 1.776 2.158 1.873 1.00 0.00 C ATOM 654 CG TRP A 55 1.551 3.109 0.696 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.489 3.912 0.118 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.382 3.267 0.054 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.811 4.498 -0.851 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.529 4.181 -0.966 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.840 2.673 0.286 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.553 4.506 -1.757 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.923 2.998 -0.503 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.783 3.919 -1.523 1.00 0.00 C ATOM 0 H TRP A 55 3.474 3.669 3.149 1.00 0.00 H new ATOM 0 HA TRP A 55 0.463 3.346 3.049 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.804 1.796 1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.131 1.283 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.528 4.037 0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.254 5.165 -1.483 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.949 1.954 1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.440 5.219 -2.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.881 2.532 -0.324 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.633 4.180 -2.137 1.00 0.00 H new ATOM 673 N LEU A 56 0.603 2.214 5.262 1.00 0.00 N ATOM 674 CA LEU A 56 0.658 1.412 6.504 1.00 0.00 C ATOM 675 C LEU A 56 0.114 0.025 6.185 1.00 0.00 C ATOM 676 O LEU A 56 -1.076 -0.135 6.003 1.00 0.00 O ATOM 677 CB LEU A 56 -0.223 2.068 7.574 1.00 0.00 C ATOM 678 CG LEU A 56 0.276 3.492 7.853 1.00 0.00 C ATOM 679 CD1 LEU A 56 -0.530 4.482 7.020 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.068 3.810 9.337 1.00 0.00 C ATOM 0 H LEU A 56 -0.180 2.862 5.183 1.00 0.00 H new ATOM 0 HA LEU A 56 1.681 1.349 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.260 2.095 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.199 1.478 8.490 1.00 0.00 H new ATOM 0 HG LEU A 56 1.333 3.568 7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.177 5.495 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.405 4.253 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.585 4.407 7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.420 4.820 9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.992 3.738 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.628 3.098 9.944 1.00 0.00 H new ATOM 692 N ARG A 57 0.990 -0.941 6.139 1.00 0.00 N ATOM 693 CA ARG A 57 0.530 -2.320 5.815 1.00 0.00 C ATOM 694 C ARG A 57 -0.080 -2.928 7.065 1.00 0.00 C ATOM 695 O ARG A 57 0.339 -2.629 8.163 1.00 0.00 O ATOM 696 CB ARG A 57 1.738 -3.151 5.375 1.00 0.00 C ATOM 697 CG ARG A 57 1.399 -4.651 5.449 1.00 0.00 C ATOM 698 CD ARG A 57 2.005 -5.222 6.736 1.00 0.00 C ATOM 699 NE ARG A 57 1.647 -6.667 6.844 1.00 0.00 N ATOM 700 CZ ARG A 57 1.545 -7.207 8.032 1.00 0.00 C ATOM 701 NH1 ARG A 57 2.012 -6.546 9.055 1.00 0.00 N ATOM 702 NH2 ARG A 57 0.989 -8.379 8.182 1.00 0.00 N ATOM 0 H ARG A 57 1.990 -0.838 6.309 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.210 -2.301 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.023 -2.884 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.593 -2.931 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.319 -4.796 5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.797 -5.173 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.088 -5.103 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.631 -4.676 7.602 1.00 0.00 H new ATOM 0 HE ARG A 57 1.484 -7.225 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.443 -5.632 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.946 -6.943 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.630 -8.881 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.914 -8.793 9.111 1.00 0.00 H new ATOM 716 N ASP A 58 -1.115 -3.691 6.859 1.00 0.00 N ATOM 717 CA ASP A 58 -1.804 -4.349 8.003 1.00 0.00 C ATOM 718 C ASP A 58 -2.410 -3.267 8.891 1.00 0.00 C ATOM 719 O ASP A 58 -3.602 -3.032 8.844 1.00 0.00 O ATOM 720 CB ASP A 58 -0.787 -5.185 8.792 1.00 0.00 C ATOM 721 CG ASP A 58 -1.502 -5.995 9.882 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.721 -5.937 9.909 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.777 -6.633 10.628 1.00 0.00 O ATOM 0 H ASP A 58 -1.516 -3.889 5.942 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.595 -5.008 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.256 -5.857 8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.040 -4.532 9.244 1.00 0.00 H new ATOM 728 N GLY A 59 -1.563 -2.650 9.674 1.00 0.00 N ATOM 729 CA GLY A 59 -2.014 -1.552 10.575 1.00 0.00 C ATOM 730 C GLY A 59 -0.818 -0.686 11.002 1.00 0.00 C ATOM 731 O GLY A 59 -0.907 0.064 11.955 1.00 0.00 O ATOM 0 H GLY A 59 -0.567 -2.864 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.754 -0.935 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.500 -1.972 11.456 1.00 0.00 H new ATOM 735 N VAL A 60 0.275 -0.805 10.290 1.00 0.00 N ATOM 736 CA VAL A 60 1.485 -0.005 10.643 1.00 0.00 C ATOM 737 C VAL A 60 2.193 0.511 9.382 1.00 0.00 C ATOM 738 O VAL A 60 2.166 -0.118 8.343 1.00 0.00 O ATOM 739 CB VAL A 60 2.446 -0.901 11.436 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.676 -0.083 11.843 1.00 0.00 C ATOM 741 CG2 VAL A 60 1.741 -1.391 12.705 1.00 0.00 C ATOM 0 H VAL A 60 0.380 -1.419 9.483 1.00 0.00 H new ATOM 0 HA VAL A 60 1.181 0.856 11.238 1.00 0.00 H new ATOM 0 HB VAL A 60 2.748 -1.750 10.822 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.363 -0.714 12.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.177 0.290 10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.365 0.758 12.462 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.418 -2.029 13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.451 -0.535 13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.852 -1.959 12.431 1.00 0.00 H new ATOM 751 N GLN A 61 2.824 1.645 9.529 1.00 0.00 N ATOM 752 CA GLN A 61 3.559 2.278 8.390 1.00 0.00 C ATOM 753 C GLN A 61 4.397 1.285 7.581 1.00 0.00 C ATOM 754 O GLN A 61 5.161 0.515 8.128 1.00 0.00 O ATOM 755 CB GLN A 61 4.463 3.371 8.976 1.00 0.00 C ATOM 756 CG GLN A 61 5.219 4.071 7.844 1.00 0.00 C ATOM 757 CD GLN A 61 6.501 3.290 7.553 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.604 2.657 6.418 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.412 3.241 8.356 1.00 0.00 N flip ATOM 0 H GLN A 61 2.863 2.169 10.403 1.00 0.00 H new ATOM 0 HA GLN A 61 2.827 2.686 7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.864 4.095 9.529 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.168 2.934 9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.597 4.123 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.457 5.096 8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.335 3.735 9.245 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.253 2.706 8.141 1.00 0.00 H new ATOM 768 N LEU A 62 4.222 1.334 6.286 1.00 0.00 N ATOM 769 CA LEU A 62 5.007 0.421 5.406 1.00 0.00 C ATOM 770 C LEU A 62 5.289 1.021 4.022 1.00 0.00 C ATOM 771 O LEU A 62 4.486 1.721 3.434 1.00 0.00 O ATOM 772 CB LEU A 62 4.251 -0.897 5.213 1.00 0.00 C ATOM 773 CG LEU A 62 5.264 -1.942 4.710 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.105 -2.430 5.894 1.00 0.00 C ATOM 775 CD2 LEU A 62 4.524 -3.138 4.107 1.00 0.00 C ATOM 0 H LEU A 62 3.576 1.960 5.804 1.00 0.00 H new ATOM 0 HA LEU A 62 5.962 0.258 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.800 -1.221 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.440 -0.772 4.495 1.00 0.00 H new ATOM 0 HG LEU A 62 5.902 -1.489 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.826 -3.171 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.636 -1.586 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.453 -2.880 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.247 -3.873 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.887 -3.592 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.910 -2.802 3.271 1.00 0.00 H new ATOM 787 N VAL A 63 6.508 0.806 3.621 1.00 0.00 N ATOM 788 CA VAL A 63 6.997 1.256 2.287 1.00 0.00 C ATOM 789 C VAL A 63 8.283 0.478 1.996 1.00 0.00 C ATOM 790 O VAL A 63 9.352 0.872 2.418 1.00 0.00 O ATOM 791 CB VAL A 63 7.196 2.780 2.318 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.031 3.178 3.538 1.00 0.00 C ATOM 793 CG2 VAL A 63 7.923 3.241 1.053 1.00 0.00 C ATOM 0 H VAL A 63 7.210 0.321 4.180 1.00 0.00 H new ATOM 0 HA VAL A 63 6.287 1.055 1.484 1.00 0.00 H new ATOM 0 HB VAL A 63 6.216 3.253 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.166 4.260 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.518 2.866 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.005 2.692 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.059 4.322 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.897 2.754 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.332 2.975 0.176 1.00 0.00 H new ATOM 803 N GLU A 64 8.166 -0.616 1.292 1.00 0.00 N ATOM 804 CA GLU A 64 9.389 -1.422 1.028 1.00 0.00 C ATOM 805 C GLU A 64 10.003 -1.123 -0.339 1.00 0.00 C ATOM 806 O GLU A 64 9.997 -0.002 -0.805 1.00 0.00 O ATOM 807 CB GLU A 64 9.005 -2.904 1.128 1.00 0.00 C ATOM 808 CG GLU A 64 8.237 -3.131 2.441 1.00 0.00 C ATOM 809 CD GLU A 64 9.008 -2.502 3.609 1.00 0.00 C ATOM 810 OE1 GLU A 64 10.082 -3.011 3.885 1.00 0.00 O ATOM 811 OE2 GLU A 64 8.476 -1.547 4.152 1.00 0.00 O ATOM 0 H GLU A 64 7.298 -0.979 0.897 1.00 0.00 H new ATOM 0 HA GLU A 64 10.148 -1.163 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.389 -3.192 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.898 -3.528 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.242 -2.692 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.103 -4.199 2.615 1.00 0.00 H new ATOM 818 N SER A 65 10.547 -2.148 -0.934 1.00 0.00 N ATOM 819 CA SER A 65 11.193 -1.985 -2.269 1.00 0.00 C ATOM 820 C SER A 65 11.119 -3.295 -3.062 1.00 0.00 C ATOM 821 O SER A 65 10.350 -4.181 -2.748 1.00 0.00 O ATOM 822 CB SER A 65 12.664 -1.587 -2.054 1.00 0.00 C ATOM 823 OG SER A 65 13.066 -1.022 -3.296 1.00 0.00 O ATOM 0 H SER A 65 10.573 -3.094 -0.553 1.00 0.00 H new ATOM 0 HA SER A 65 10.673 -1.213 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.766 -0.869 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.275 -2.452 -1.795 1.00 0.00 H new ATOM 0 HG SER A 65 14.002 -0.739 -3.239 1.00 0.00 H new ATOM 829 N ASN A 66 11.932 -3.375 -4.078 1.00 0.00 N ATOM 830 CA ASN A 66 11.961 -4.590 -4.946 1.00 0.00 C ATOM 831 C ASN A 66 10.550 -5.157 -5.175 1.00 0.00 C ATOM 832 O ASN A 66 9.718 -4.514 -5.783 1.00 0.00 O ATOM 833 CB ASN A 66 12.840 -5.648 -4.265 1.00 0.00 C ATOM 834 CG ASN A 66 14.265 -5.107 -4.107 1.00 0.00 C ATOM 835 OD1 ASN A 66 14.549 -3.914 -4.556 1.00 0.00 O flip ATOM 836 ND2 ASN A 66 15.135 -5.766 -3.573 1.00 0.00 N flip ATOM 0 H ASN A 66 12.587 -2.641 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 66 12.366 -4.318 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.427 -5.905 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.851 -6.563 -4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.923 -6.699 -3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.077 -5.386 -3.479 1.00 0.00 H new ATOM 843 N ARG A 67 10.326 -6.350 -4.692 1.00 0.00 N ATOM 844 CA ARG A 67 8.989 -7.001 -4.855 1.00 0.00 C ATOM 845 C ARG A 67 7.840 -5.995 -4.739 1.00 0.00 C ATOM 846 O ARG A 67 6.845 -6.099 -5.431 1.00 0.00 O ATOM 847 CB ARG A 67 8.833 -8.067 -3.767 1.00 0.00 C ATOM 848 CG ARG A 67 9.887 -9.157 -3.990 1.00 0.00 C ATOM 849 CD ARG A 67 9.728 -10.225 -2.904 1.00 0.00 C ATOM 850 NE ARG A 67 9.972 -9.585 -1.579 1.00 0.00 N ATOM 851 CZ ARG A 67 10.968 -9.997 -0.843 1.00 0.00 C ATOM 852 NH1 ARG A 67 10.762 -10.959 0.015 1.00 0.00 N ATOM 853 NH2 ARG A 67 12.136 -9.434 -0.990 1.00 0.00 N ATOM 0 H ARG A 67 11.016 -6.907 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 67 8.943 -7.441 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.955 -7.620 -2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.832 -8.497 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.767 -9.602 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.888 -8.727 -3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.728 -10.656 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.432 -11.041 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 67 9.366 -8.833 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.835 -11.375 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.528 -11.294 0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.259 -8.685 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.926 -9.743 -0.423 1.00 0.00 H new ATOM 867 N THR A 68 8.010 -5.047 -3.857 1.00 0.00 N ATOM 868 CA THR A 68 6.964 -4.014 -3.654 1.00 0.00 C ATOM 869 C THR A 68 7.518 -2.654 -4.086 1.00 0.00 C ATOM 870 O THR A 68 8.477 -2.153 -3.533 1.00 0.00 O ATOM 871 CB THR A 68 6.569 -3.983 -2.159 1.00 0.00 C ATOM 872 OG1 THR A 68 6.901 -2.684 -1.692 1.00 0.00 O ATOM 873 CG2 THR A 68 7.461 -4.910 -1.331 1.00 0.00 C ATOM 0 H THR A 68 8.836 -4.947 -3.266 1.00 0.00 H new ATOM 0 HA THR A 68 6.081 -4.245 -4.250 1.00 0.00 H new ATOM 0 HB THR A 68 5.520 -4.266 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.854 -2.514 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.159 -4.867 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.361 -5.932 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.500 -4.592 -1.422 1.00 0.00 H new ATOM 881 N ARG A 69 6.889 -2.100 -5.083 1.00 0.00 N ATOM 882 CA ARG A 69 7.306 -0.767 -5.587 1.00 0.00 C ATOM 883 C ARG A 69 6.343 0.202 -4.921 1.00 0.00 C ATOM 884 O ARG A 69 5.235 0.399 -5.377 1.00 0.00 O ATOM 885 CB ARG A 69 7.132 -0.721 -7.107 1.00 0.00 C ATOM 886 CG ARG A 69 8.293 -1.479 -7.744 1.00 0.00 C ATOM 887 CD ARG A 69 8.104 -1.487 -9.263 1.00 0.00 C ATOM 888 NE ARG A 69 9.232 -2.252 -9.866 1.00 0.00 N ATOM 889 CZ ARG A 69 10.038 -1.653 -10.699 1.00 0.00 C ATOM 890 NH1 ARG A 69 9.801 -1.740 -11.979 1.00 0.00 N ATOM 891 NH2 ARG A 69 11.055 -0.988 -10.224 1.00 0.00 N ATOM 0 H ARG A 69 6.098 -2.518 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 69 8.348 -0.534 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.182 -1.171 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.115 0.311 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.240 -1.006 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.331 -2.500 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.150 -1.945 -9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.085 -0.468 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 69 9.373 -3.234 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.996 -2.270 -12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.420 -1.278 -12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.209 -0.943 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.696 -0.513 -10.860 1.00 0.00 H new ATOM 905 N ILE A 70 6.763 0.719 -3.802 1.00 0.00 N ATOM 906 CA ILE A 70 5.879 1.654 -3.063 1.00 0.00 C ATOM 907 C ILE A 70 6.132 3.095 -3.480 1.00 0.00 C ATOM 908 O ILE A 70 6.932 3.783 -2.880 1.00 0.00 O ATOM 909 CB ILE A 70 6.164 1.529 -1.567 1.00 0.00 C ATOM 910 CG1 ILE A 70 7.651 1.185 -1.314 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.344 0.374 -0.989 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.588 2.211 -1.959 1.00 0.00 C ATOM 0 H ILE A 70 7.670 0.536 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 70 4.844 1.397 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 70 5.910 2.481 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.838 1.146 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.868 0.194 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.546 0.283 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.283 0.569 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.619 -0.554 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.623 1.935 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.419 2.231 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.389 3.198 -1.542 1.00 0.00 H new ATOM 924 N THR A 71 5.428 3.572 -4.467 1.00 0.00 N ATOM 925 CA THR A 71 5.722 4.974 -4.834 1.00 0.00 C ATOM 926 C THR A 71 4.903 5.904 -3.931 1.00 0.00 C ATOM 927 O THR A 71 3.812 5.572 -3.511 1.00 0.00 O ATOM 928 CB THR A 71 5.377 5.229 -6.297 1.00 0.00 C ATOM 929 OG1 THR A 71 3.990 5.504 -6.254 1.00 0.00 O ATOM 930 CG2 THR A 71 5.493 3.945 -7.128 1.00 0.00 C ATOM 0 H THR A 71 4.708 3.087 -5.003 1.00 0.00 H new ATOM 0 HA THR A 71 6.786 5.167 -4.698 1.00 0.00 H new ATOM 0 HB THR A 71 6.021 5.998 -6.723 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.494 4.667 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.241 4.160 -8.166 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.514 3.567 -7.073 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.807 3.194 -6.736 1.00 0.00 H new ATOM 938 N GLY A 72 5.486 7.032 -3.629 1.00 0.00 N ATOM 939 CA GLY A 72 4.820 8.047 -2.760 1.00 0.00 C ATOM 940 C GLY A 72 3.336 8.285 -3.077 1.00 0.00 C ATOM 941 O GLY A 72 2.718 9.134 -2.467 1.00 0.00 O ATOM 0 H GLY A 72 6.415 7.299 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.910 7.731 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.354 8.993 -2.853 1.00 0.00 H new ATOM 945 N GLU A 73 2.793 7.588 -4.037 1.00 0.00 N ATOM 946 CA GLU A 73 1.348 7.787 -4.346 1.00 0.00 C ATOM 947 C GLU A 73 0.655 6.466 -4.701 1.00 0.00 C ATOM 948 O GLU A 73 -0.532 6.310 -4.497 1.00 0.00 O ATOM 949 CB GLU A 73 1.236 8.752 -5.530 1.00 0.00 C ATOM 950 CG GLU A 73 1.981 8.157 -6.730 1.00 0.00 C ATOM 951 CD GLU A 73 1.819 9.092 -7.932 1.00 0.00 C ATOM 952 OE1 GLU A 73 2.260 10.222 -7.801 1.00 0.00 O ATOM 953 OE2 GLU A 73 1.264 8.620 -8.911 1.00 0.00 O ATOM 0 H GLU A 73 3.278 6.900 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 73 0.856 8.192 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.189 8.919 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.659 9.722 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.037 8.030 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.586 7.169 -6.966 1.00 0.00 H new ATOM 960 N GLU A 74 1.413 5.517 -5.180 1.00 0.00 N ATOM 961 CA GLU A 74 0.798 4.229 -5.593 1.00 0.00 C ATOM 962 C GLU A 74 1.723 3.094 -5.182 1.00 0.00 C ATOM 963 O GLU A 74 2.889 3.092 -5.517 1.00 0.00 O ATOM 964 CB GLU A 74 0.647 4.239 -7.120 1.00 0.00 C ATOM 965 CG GLU A 74 -0.273 3.091 -7.557 1.00 0.00 C ATOM 966 CD GLU A 74 0.403 1.750 -7.260 1.00 0.00 C ATOM 967 OE1 GLU A 74 1.463 1.538 -7.825 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.188 1.017 -6.484 1.00 0.00 O ATOM 0 H GLU A 74 2.424 5.579 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.176 4.095 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.235 5.193 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.624 4.135 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.225 3.154 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.491 3.172 -8.622 1.00 0.00 H new ATOM 975 N VAL A 75 1.187 2.168 -4.447 1.00 0.00 N ATOM 976 CA VAL A 75 2.025 1.024 -4.007 1.00 0.00 C ATOM 977 C VAL A 75 1.674 -0.234 -4.778 1.00 0.00 C ATOM 978 O VAL A 75 0.561 -0.719 -4.720 1.00 0.00 O ATOM 979 CB VAL A 75 1.781 0.798 -2.534 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.325 -0.580 -2.126 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.521 1.888 -1.788 1.00 0.00 C ATOM 0 H VAL A 75 0.216 2.151 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 75 3.074 1.253 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 75 0.716 0.827 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.148 -0.741 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.818 -1.356 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.396 -0.622 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.371 1.762 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.585 1.826 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.140 2.862 -2.095 1.00 0.00 H new ATOM 991 N GLU A 76 2.646 -0.724 -5.494 1.00 0.00 N ATOM 992 CA GLU A 76 2.386 -1.965 -6.280 1.00 0.00 C ATOM 993 C GLU A 76 3.263 -3.141 -5.829 1.00 0.00 C ATOM 994 O GLU A 76 4.473 -3.072 -5.872 1.00 0.00 O ATOM 995 CB GLU A 76 2.644 -1.669 -7.758 1.00 0.00 C ATOM 996 CG GLU A 76 1.738 -2.581 -8.596 1.00 0.00 C ATOM 997 CD GLU A 76 1.729 -2.096 -10.048 1.00 0.00 C ATOM 998 OE1 GLU A 76 1.453 -0.921 -10.225 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.990 -2.932 -10.897 1.00 0.00 O ATOM 0 H GLU A 76 3.585 -0.334 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 76 1.349 -2.259 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.436 -0.622 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.691 -1.845 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.095 -3.610 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.725 -2.575 -8.193 1.00 0.00 H new ATOM 1006 N VAL A 77 2.616 -4.193 -5.405 1.00 0.00 N ATOM 1007 CA VAL A 77 3.345 -5.420 -4.961 1.00 0.00 C ATOM 1008 C VAL A 77 3.142 -6.407 -6.107 1.00 0.00 C ATOM 1009 O VAL A 77 2.029 -6.819 -6.361 1.00 0.00 O ATOM 1010 CB VAL A 77 2.717 -5.959 -3.647 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.447 -5.334 -2.460 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.247 -5.548 -3.576 1.00 0.00 C ATOM 0 H VAL A 77 1.600 -4.257 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 77 4.400 -5.242 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 77 2.801 -7.045 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.015 -5.705 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.503 -5.601 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.345 -4.250 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.807 -5.927 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.172 -4.461 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.712 -5.963 -4.430 1.00 0.00 H new ATOM 1022 N ARG A 78 4.211 -6.769 -6.762 1.00 0.00 N ATOM 1023 CA ARG A 78 4.073 -7.678 -7.940 1.00 0.00 C ATOM 1024 C ARG A 78 4.347 -9.126 -7.556 1.00 0.00 C ATOM 1025 O ARG A 78 5.129 -9.808 -8.188 1.00 0.00 O ATOM 1026 CB ARG A 78 5.074 -7.254 -9.031 1.00 0.00 C ATOM 1027 CG ARG A 78 5.667 -5.878 -8.709 1.00 0.00 C ATOM 1028 CD ARG A 78 4.539 -4.847 -8.638 1.00 0.00 C ATOM 1029 NE ARG A 78 5.100 -3.528 -9.043 1.00 0.00 N ATOM 1030 CZ ARG A 78 4.797 -3.027 -10.210 1.00 0.00 C ATOM 1031 NH1 ARG A 78 4.703 -3.828 -11.236 1.00 0.00 N ATOM 1032 NH2 ARG A 78 4.601 -1.741 -10.312 1.00 0.00 N ATOM 0 H ARG A 78 5.163 -6.480 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 78 3.050 -7.603 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.873 -7.992 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.575 -7.224 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.204 -5.913 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.389 -5.592 -9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.719 -5.132 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.132 -4.795 -7.628 1.00 0.00 H new ATOM 0 HE ARG A 78 5.718 -3.018 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.865 -4.828 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.467 -3.454 -12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.685 -1.145 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.363 -1.331 -11.215 1.00 0.00 H new ATOM 1046 N ASP A 79 3.687 -9.571 -6.524 1.00 0.00 N ATOM 1047 CA ASP A 79 3.922 -10.971 -6.094 1.00 0.00 C ATOM 1048 C ASP A 79 2.785 -11.464 -5.209 1.00 0.00 C ATOM 1049 O ASP A 79 2.403 -12.614 -5.276 1.00 0.00 O ATOM 1050 CB ASP A 79 5.243 -11.031 -5.320 1.00 0.00 C ATOM 1051 CG ASP A 79 5.933 -12.365 -5.618 1.00 0.00 C ATOM 1052 OD1 ASP A 79 6.288 -12.542 -6.773 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.065 -13.130 -4.677 1.00 0.00 O ATOM 0 H ASP A 79 3.012 -9.040 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 79 3.969 -11.613 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.887 -10.201 -5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.058 -10.933 -4.250 1.00 0.00 H new ATOM 1058 N SER A 80 2.242 -10.572 -4.422 1.00 0.00 N ATOM 1059 CA SER A 80 1.156 -10.980 -3.484 1.00 0.00 C ATOM 1060 C SER A 80 1.709 -12.138 -2.641 1.00 0.00 C ATOM 1061 O SER A 80 1.684 -13.290 -3.028 1.00 0.00 O ATOM 1062 CB SER A 80 -0.099 -11.382 -4.290 1.00 0.00 C ATOM 1063 OG SER A 80 -0.041 -12.793 -4.424 1.00 0.00 O ATOM 0 H SER A 80 2.501 -9.586 -4.388 1.00 0.00 H new ATOM 0 HA SER A 80 0.853 -10.167 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.009 -11.076 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.108 -10.897 -5.266 1.00 0.00 H new ATOM 0 HG SER A 80 -0.823 -13.106 -4.924 1.00 0.00 H new ATOM 1069 N ILE A 81 2.216 -11.782 -1.494 1.00 0.00 N ATOM 1070 CA ILE A 81 2.822 -12.800 -0.592 1.00 0.00 C ATOM 1071 C ILE A 81 2.377 -12.441 0.817 1.00 0.00 C ATOM 1072 O ILE A 81 2.009 -11.309 1.044 1.00 0.00 O ATOM 1073 CB ILE A 81 4.350 -12.694 -0.713 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.758 -11.210 -0.669 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.773 -13.290 -2.058 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.283 -11.118 -0.564 1.00 0.00 C ATOM 0 H ILE A 81 2.237 -10.825 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 81 2.519 -13.817 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 81 4.831 -13.230 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.410 -10.697 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.291 -10.716 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.856 -13.223 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.468 -14.335 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.297 -12.736 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.583 -10.071 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.616 -11.619 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.737 -11.599 -1.430 1.00 0.00 H new ATOM 1088 N PRO A 82 2.416 -13.380 1.726 1.00 0.00 N ATOM 1089 CA PRO A 82 1.770 -13.213 3.047 1.00 0.00 C ATOM 1090 C PRO A 82 1.842 -11.757 3.522 1.00 0.00 C ATOM 1091 O PRO A 82 0.922 -11.250 4.132 1.00 0.00 O ATOM 1092 CB PRO A 82 2.537 -14.171 3.961 1.00 0.00 C ATOM 1093 CG PRO A 82 3.232 -15.208 3.024 1.00 0.00 C ATOM 1094 CD PRO A 82 3.179 -14.643 1.585 1.00 0.00 C ATOM 0 HA PRO A 82 0.704 -13.441 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.273 -13.633 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.862 -14.668 4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.264 -15.373 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.726 -16.172 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.179 -14.464 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.685 -15.334 0.902 1.00 0.00 H new ATOM 1102 N ALA A 83 2.943 -11.120 3.221 1.00 0.00 N ATOM 1103 CA ALA A 83 3.119 -9.692 3.616 1.00 0.00 C ATOM 1104 C ALA A 83 1.820 -8.890 3.462 1.00 0.00 C ATOM 1105 O ALA A 83 1.467 -8.119 4.332 1.00 0.00 O ATOM 1106 CB ALA A 83 4.200 -9.076 2.726 1.00 0.00 C ATOM 0 H ALA A 83 3.730 -11.529 2.717 1.00 0.00 H new ATOM 0 HA ALA A 83 3.405 -9.657 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.344 -8.031 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.136 -9.619 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.892 -9.139 1.682 1.00 0.00 H new ATOM 1112 N ASP A 84 1.145 -9.126 2.370 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.127 -8.412 2.072 1.00 0.00 C ATOM 1114 C ASP A 84 -1.303 -9.049 2.817 1.00 0.00 C ATOM 1115 O ASP A 84 -2.366 -9.278 2.274 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.331 -8.480 0.560 1.00 0.00 C ATOM 1117 CG ASP A 84 1.020 -8.151 -0.077 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.447 -7.036 0.165 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.561 -9.052 -0.694 1.00 0.00 O ATOM 0 H ASP A 84 1.429 -9.798 1.658 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.075 -7.376 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.671 -9.471 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.094 -7.771 0.239 1.00 0.00 H new ATOM 1124 N SER A 85 -1.006 -9.432 4.024 1.00 0.00 N ATOM 1125 CA SER A 85 -2.030 -10.025 4.929 1.00 0.00 C ATOM 1126 C SER A 85 -2.570 -8.963 5.901 1.00 0.00 C ATOM 1127 O SER A 85 -2.289 -9.030 7.082 1.00 0.00 O ATOM 1128 CB SER A 85 -1.359 -11.136 5.730 1.00 0.00 C ATOM 1129 OG SER A 85 -0.208 -10.491 6.259 1.00 0.00 O ATOM 0 H SER A 85 -0.074 -9.358 4.432 1.00 0.00 H new ATOM 0 HA SER A 85 -2.862 -10.411 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.009 -11.515 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.093 -11.985 5.100 1.00 0.00 H new ATOM 0 HG SER A 85 0.584 -10.769 5.753 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.323 -8.004 5.430 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.830 -6.982 6.396 1.00 0.00 C ATOM 1137 C GLY A 86 -4.368 -5.732 5.694 1.00 0.00 C ATOM 1138 O GLY A 86 -4.713 -5.759 4.529 1.00 0.00 O ATOM 0 H GLY A 86 -3.602 -7.883 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.620 -7.422 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.026 -6.697 7.074 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.439 -4.641 6.409 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.970 -3.418 5.750 1.00 0.00 C ATOM 1144 C LEU A 87 -3.843 -2.475 5.340 1.00 0.00 C ATOM 1145 O LEU A 87 -2.972 -2.150 6.122 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.908 -2.694 6.724 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.289 -3.364 6.691 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.222 -4.704 7.431 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.295 -2.456 7.403 1.00 0.00 C ATOM 0 H LEU A 87 -4.163 -4.545 7.386 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.508 -3.716 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.499 -2.728 7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.995 -1.643 6.450 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.594 -3.529 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.202 -5.181 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.492 -5.352 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.925 -4.534 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.281 -2.921 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.982 -2.306 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.340 -1.493 6.894 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.886 -2.074 4.100 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.873 -1.123 3.582 1.00 0.00 C ATOM 1163 C TYR A 88 -3.562 0.224 3.564 1.00 0.00 C ATOM 1164 O TYR A 88 -4.237 0.581 2.623 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.495 -1.487 2.160 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.336 -2.469 2.207 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.588 -3.818 2.261 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -0.034 -2.021 2.183 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.553 -4.722 2.280 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.009 -2.920 2.210 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.759 -4.278 2.253 1.00 0.00 C ATOM 1172 OH TYR A 88 1.813 -5.169 2.253 1.00 0.00 O ATOM 0 H TYR A 88 -4.587 -2.369 3.420 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.970 -1.132 4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.346 -1.930 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.213 -0.594 1.602 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.608 -4.171 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.170 -0.961 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.763 -5.781 2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.028 -2.561 2.197 1.00 0.00 H new ATOM 0 HH TYR A 88 1.691 -5.820 1.531 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.405 0.938 4.633 1.00 0.00 N ATOM 1183 CA ALA A 89 -4.068 2.268 4.677 1.00 0.00 C ATOM 1184 C ALA A 89 -3.021 3.271 4.224 1.00 0.00 C ATOM 1185 O ALA A 89 -1.898 3.230 4.684 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.497 2.563 6.113 1.00 0.00 C ATOM 0 H ALA A 89 -2.865 0.674 5.457 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.953 2.311 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.984 3.537 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.193 1.795 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.620 2.568 6.761 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.371 4.155 3.336 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.324 5.106 2.890 1.00 0.00 C ATOM 1194 C CYS A 90 -2.491 6.382 3.682 1.00 0.00 C ATOM 1195 O CYS A 90 -3.582 6.905 3.773 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.501 5.384 1.400 1.00 0.00 C ATOM 1197 SG CYS A 90 -3.841 6.490 0.894 1.00 0.00 S ATOM 0 H CYS A 90 -4.295 4.259 2.916 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.328 4.694 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.566 5.799 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -2.650 4.428 0.898 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.414 6.799 4.283 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.455 8.054 5.073 1.00 0.00 C ATOM 1204 C VAL A 91 -0.657 9.082 4.291 1.00 0.00 C ATOM 1205 O VAL A 91 0.545 8.985 4.145 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.826 7.843 6.447 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -0.571 9.209 7.094 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.820 7.085 7.328 1.00 0.00 C ATOM 0 H VAL A 91 -0.511 6.326 4.261 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.483 8.381 5.230 1.00 0.00 H new ATOM 0 HB VAL A 91 0.106 7.287 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.121 9.068 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.105 9.789 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.515 9.743 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.384 6.926 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.737 7.666 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.048 6.121 6.873 1.00 0.00 H new ATOM 1218 N THR A 92 -1.393 10.028 3.795 1.00 0.00 N ATOM 1219 CA THR A 92 -0.790 11.125 2.995 1.00 0.00 C ATOM 1220 C THR A 92 -0.477 12.204 4.015 1.00 0.00 C ATOM 1221 O THR A 92 -1.327 12.516 4.826 1.00 0.00 O ATOM 1222 CB THR A 92 -1.829 11.626 1.994 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.867 12.150 2.807 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.484 10.449 1.272 1.00 0.00 C ATOM 0 H THR A 92 -2.404 10.090 3.911 1.00 0.00 H new ATOM 0 HA THR A 92 0.096 10.822 2.436 1.00 0.00 H new ATOM 0 HB THR A 92 -1.376 12.314 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.617 12.067 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.222 10.823 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.723 9.880 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.975 9.803 2.000 1.00 0.00 H new ATOM 1232 N SER A 93 0.711 12.740 3.972 1.00 0.00 N ATOM 1233 CA SER A 93 1.055 13.774 4.984 1.00 0.00 C ATOM 1234 C SER A 93 1.654 15.022 4.344 1.00 0.00 C ATOM 1235 O SER A 93 2.453 14.936 3.431 1.00 0.00 O ATOM 1236 CB SER A 93 2.075 13.184 5.973 1.00 0.00 C ATOM 1237 OG SER A 93 1.978 11.775 5.810 1.00 0.00 O ATOM 0 H SER A 93 1.442 12.514 3.297 1.00 0.00 H new ATOM 0 HA SER A 93 0.136 14.064 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.083 13.537 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.847 13.479 6.997 1.00 0.00 H new ATOM 0 HG SER A 93 2.434 11.509 4.984 1.00 0.00 H new ATOM 1243 N SER A 94 1.168 16.140 4.814 1.00 0.00 N ATOM 1244 CA SER A 94 1.652 17.468 4.356 1.00 0.00 C ATOM 1245 C SER A 94 1.971 18.260 5.626 1.00 0.00 C ATOM 1246 O SER A 94 1.325 18.076 6.640 1.00 0.00 O ATOM 1247 CB SER A 94 0.527 18.190 3.633 1.00 0.00 C ATOM 1248 OG SER A 94 -0.292 18.626 4.709 1.00 0.00 O ATOM 0 H SER A 94 0.432 16.184 5.519 1.00 0.00 H new ATOM 0 HA SER A 94 2.511 17.369 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.896 19.025 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.011 17.528 2.954 1.00 0.00 H new ATOM 0 HG SER A 94 -0.630 17.848 5.199 1.00 0.00 H new ATOM 1254 N PRO A 95 2.915 19.156 5.515 1.00 0.00 N ATOM 1255 CA PRO A 95 3.361 19.981 6.659 1.00 0.00 C ATOM 1256 C PRO A 95 2.193 20.660 7.384 1.00 0.00 C ATOM 1257 O PRO A 95 2.403 21.398 8.326 1.00 0.00 O ATOM 1258 CB PRO A 95 4.310 21.022 6.051 1.00 0.00 C ATOM 1259 CG PRO A 95 4.555 20.615 4.568 1.00 0.00 C ATOM 1260 CD PRO A 95 3.605 19.446 4.238 1.00 0.00 C ATOM 0 HA PRO A 95 3.846 19.367 7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.874 22.019 6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.250 21.053 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.367 21.459 3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.593 20.317 4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.896 19.720 3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.156 18.577 3.878 1.00 0.00 H new ATOM 1268 N SER A 96 0.988 20.404 6.943 1.00 0.00 N ATOM 1269 CA SER A 96 -0.181 21.032 7.614 1.00 0.00 C ATOM 1270 C SER A 96 -1.040 19.961 8.295 1.00 0.00 C ATOM 1271 O SER A 96 -1.459 20.128 9.423 1.00 0.00 O ATOM 1272 CB SER A 96 -1.009 21.763 6.549 1.00 0.00 C ATOM 1273 OG SER A 96 -1.810 20.750 5.952 1.00 0.00 O ATOM 0 H SER A 96 0.768 19.794 6.156 1.00 0.00 H new ATOM 0 HA SER A 96 0.160 21.733 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.626 22.544 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.367 22.246 5.812 1.00 0.00 H new ATOM 0 HG SER A 96 -1.234 20.111 5.483 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.284 18.884 7.595 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.135 17.811 8.194 1.00 0.00 C ATOM 1281 C GLY A 97 -1.933 16.474 7.480 1.00 0.00 C ATOM 1282 O GLY A 97 -1.084 16.361 6.621 1.00 0.00 O ATOM 0 H GLY A 97 -0.939 18.701 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.893 17.701 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.184 18.101 8.135 1.00 0.00 H new ATOM 1286 N SER A 98 -2.734 15.508 7.851 1.00 0.00 N ATOM 1287 CA SER A 98 -2.629 14.164 7.213 1.00 0.00 C ATOM 1288 C SER A 98 -4.023 13.584 6.926 1.00 0.00 C ATOM 1289 O SER A 98 -5.001 13.972 7.533 1.00 0.00 O ATOM 1290 CB SER A 98 -1.876 13.235 8.168 1.00 0.00 C ATOM 1291 OG SER A 98 -1.778 12.016 7.446 1.00 0.00 O ATOM 0 H SER A 98 -3.455 15.593 8.567 1.00 0.00 H new ATOM 0 HA SER A 98 -2.097 14.255 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.892 13.631 8.419 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.415 13.102 9.106 1.00 0.00 H new ATOM 0 HG SER A 98 -1.460 12.199 6.537 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.070 12.664 5.999 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.369 12.021 5.634 1.00 0.00 C ATOM 1299 C ASP A 99 -5.110 10.538 5.392 1.00 0.00 C ATOM 1300 O ASP A 99 -4.085 10.183 4.847 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.908 12.655 4.346 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.369 12.228 4.160 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -8.182 12.795 4.872 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.596 11.366 3.325 1.00 0.00 O ATOM 0 H ASP A 99 -3.261 12.328 5.476 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.097 12.158 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.836 13.741 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.310 12.339 3.491 1.00 0.00 H new ATOM 1309 N THR A 100 -6.044 9.708 5.768 1.00 0.00 N ATOM 1310 CA THR A 100 -5.808 8.252 5.573 1.00 0.00 C ATOM 1311 C THR A 100 -6.916 7.537 4.796 1.00 0.00 C ATOM 1312 O THR A 100 -8.095 7.766 4.980 1.00 0.00 O ATOM 1313 CB THR A 100 -5.673 7.611 6.945 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.661 8.368 7.591 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.091 6.199 6.832 1.00 0.00 C ATOM 0 H THR A 100 -6.936 9.965 6.190 1.00 0.00 H new ATOM 0 HA THR A 100 -4.903 8.150 4.974 1.00 0.00 H new ATOM 0 HB THR A 100 -6.640 7.579 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.514 8.015 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.004 5.761 7.826 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.749 5.582 6.220 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.105 6.248 6.369 1.00 0.00 H new ATOM 1323 N THR A 101 -6.451 6.673 3.937 1.00 0.00 N ATOM 1324 CA THR A 101 -7.348 5.842 3.081 1.00 0.00 C ATOM 1325 C THR A 101 -7.120 4.369 3.452 1.00 0.00 C ATOM 1326 O THR A 101 -6.130 4.065 4.086 1.00 0.00 O ATOM 1327 CB THR A 101 -6.930 6.067 1.632 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.879 5.133 1.439 1.00 0.00 O ATOM 1329 CG2 THR A 101 -6.264 7.424 1.466 1.00 0.00 C ATOM 0 H THR A 101 -5.456 6.503 3.788 1.00 0.00 H new ATOM 0 HA THR A 101 -8.397 6.103 3.220 1.00 0.00 H new ATOM 0 HB THR A 101 -7.787 5.985 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.087 5.598 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.974 7.562 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.962 8.210 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.378 7.474 2.099 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.991 3.476 3.050 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.744 2.051 3.428 1.00 0.00 C ATOM 1339 C TYR A 102 -7.941 1.017 2.316 1.00 0.00 C ATOM 1340 O TYR A 102 -9.034 0.758 1.853 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.663 1.664 4.577 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.465 2.631 5.735 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.062 3.871 5.719 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.689 2.263 6.809 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -8.891 4.741 6.775 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.512 3.131 7.868 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.112 4.376 7.856 1.00 0.00 C ATOM 1348 OH TYR A 102 -7.934 5.247 8.913 1.00 0.00 O ATOM 0 H TYR A 102 -8.829 3.660 2.499 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.687 2.023 3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.702 1.683 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.449 0.645 4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.668 4.164 4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.217 1.292 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.367 5.710 6.757 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.902 2.836 8.709 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.359 4.829 9.588 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.845 0.449 1.907 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.877 -0.623 0.885 1.00 0.00 C ATOM 1360 C PHE A 103 -6.795 -1.931 1.658 1.00 0.00 C ATOM 1361 O PHE A 103 -5.751 -2.275 2.167 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.634 -0.549 0.006 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.549 0.810 -0.668 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.224 1.933 0.065 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.766 0.917 -2.026 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.115 3.155 -0.554 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.658 2.143 -2.648 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.334 3.261 -1.907 1.00 0.00 C ATOM 0 H PHE A 103 -5.913 0.688 2.245 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.768 -0.535 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.742 -0.721 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.665 -1.336 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.055 1.851 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.021 0.040 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.857 4.032 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.826 2.228 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.252 4.223 -2.392 1.00 0.00 H new ATOM 1378 N SER A 104 -7.875 -2.642 1.778 1.00 0.00 N ATOM 1379 CA SER A 104 -7.737 -3.923 2.521 1.00 0.00 C ATOM 1380 C SER A 104 -7.098 -4.885 1.524 1.00 0.00 C ATOM 1381 O SER A 104 -7.624 -5.107 0.455 1.00 0.00 O ATOM 1382 CB SER A 104 -9.121 -4.436 2.927 1.00 0.00 C ATOM 1383 OG SER A 104 -9.903 -3.259 3.068 1.00 0.00 O ATOM 0 H SER A 104 -8.801 -2.413 1.417 1.00 0.00 H new ATOM 0 HA SER A 104 -7.145 -3.816 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.536 -5.102 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.079 -5.000 3.859 1.00 0.00 H new ATOM 0 HG SER A 104 -10.624 -3.264 2.404 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.956 -5.419 1.854 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.316 -6.340 0.880 1.00 0.00 C ATOM 1391 C VAL A 105 -4.994 -7.643 1.593 1.00 0.00 C ATOM 1392 O VAL A 105 -4.358 -7.673 2.629 1.00 0.00 O ATOM 1393 CB VAL A 105 -4.037 -5.696 0.316 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -4.127 -4.175 0.463 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.816 -6.216 1.070 1.00 0.00 C ATOM 0 H VAL A 105 -5.452 -5.264 2.727 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.989 -6.539 0.046 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.938 -5.954 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.222 -3.717 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.993 -3.807 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.230 -3.917 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.915 -5.756 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.907 -5.966 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.752 -7.298 0.957 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.496 -8.699 1.030 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.242 -10.022 1.657 1.00 0.00 C ATOM 1407 C ASN A 106 -4.814 -11.055 0.624 1.00 0.00 C ATOM 1408 O ASN A 106 -5.491 -11.307 -0.352 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.516 -10.471 2.377 1.00 0.00 C ATOM 1410 CG ASN A 106 -6.831 -11.921 2.004 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -6.204 -12.847 2.479 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -7.781 -12.159 1.144 1.00 0.00 N ATOM 0 H ASN A 106 -6.060 -8.708 0.180 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.424 -9.930 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.387 -10.382 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.349 -9.824 2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.995 -13.119 0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.311 -11.385 0.742 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.647 -11.593 0.836 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.174 -12.633 -0.115 1.00 0.00 C ATOM 1421 C VAL A 107 -3.118 -14.015 0.539 1.00 0.00 C ATOM 1422 O VAL A 107 -2.560 -14.198 1.603 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.791 -12.249 -0.631 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.798 -12.233 0.530 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.358 -13.311 -1.643 1.00 0.00 C ATOM 0 H VAL A 107 -3.016 -11.366 1.604 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.883 -12.688 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.819 -11.262 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.190 -11.959 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.121 -11.506 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.753 -13.223 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.370 -13.063 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.322 -14.285 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.073 -13.343 -2.465 1.00 0.00 H new ATOM 1435 N SER A 108 -3.728 -14.952 -0.132 1.00 0.00 N ATOM 1436 CA SER A 108 -3.744 -16.354 0.367 1.00 0.00 C ATOM 1437 C SER A 108 -4.006 -17.310 -0.797 1.00 0.00 C ATOM 1438 O SER A 108 -4.477 -16.909 -1.843 1.00 0.00 O ATOM 1439 CB SER A 108 -4.854 -16.510 1.408 1.00 0.00 C ATOM 1440 OG SER A 108 -4.851 -17.903 1.686 1.00 0.00 O ATOM 0 H SER A 108 -4.220 -14.804 -1.013 1.00 0.00 H new ATOM 0 HA SER A 108 -2.780 -16.588 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.651 -15.921 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.818 -16.180 1.020 1.00 0.00 H new ATOM 0 HG SER A 108 -5.539 -18.105 2.354 1.00 0.00 H new TER 1446 SER A 108