USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 59 GLN : amide:sc= -0.1 K(o=-2.6,f=-4.7) USER MOD Set 1.2: A 62 ASN :FLIP amide:sc= -1.11 F(o=-3.5,f=-2.6) USER MOD Set 1.3: A 68 ASN : amide:sc= -1.4 K(o=-2.6,f=-5.2) USER MOD Set 2.1: A 64 CYS SG : rot 180:sc= 0.201 USER MOD Set 2.2: A 65 ASN : amide:sc= -0.0799 X(o=0.12,f=-0.11) USER MOD Set 3.1: A 21 MET CE :methyl 180:sc= -1.16 (180deg=-1.11) USER MOD Set 3.2: A 25 MET CE :methyl -139:sc= -3.36 (180deg=-5.84!) USER MOD Single : A 16 GLN : amide:sc= -0.717 X(o=-0.72,f=-1.1) USER MOD Single : A 18 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.051) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 90:sc= -5.35! USER MOD Single : A 36 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-6.8!) USER MOD Single : A 37 ASN : amide:sc= -0.688 K(o=-0.69,f=-3.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.81) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -74:sc= 0.083 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 57:sc= -6.88! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -23:sc= 1.18 USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= -0.872 (180deg=-2.55!) USER MOD Single : A 63 SER OG : rot 48:sc= -2.27 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 70:sc= 0 USER MOD Single : A 83 SER OG : rot 80:sc= 0.552 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.221 USER MOD Single : A 92 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.55) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0536) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 14 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 14 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 14 1.677 -1.204 -2.103 1.00 0.00 C ATOM 4 O GLU A 14 1.207 -2.214 -1.582 1.00 0.00 O ATOM 5 CB GLU A 14 3.580 0.012 -0.980 1.00 0.00 C ATOM 6 CG GLU A 14 4.050 -1.336 -0.428 1.00 0.00 C ATOM 7 CD GLU A 14 3.703 -1.472 1.056 1.00 0.00 C ATOM 8 OE1 GLU A 14 3.533 -0.458 1.748 1.00 0.00 O ATOM 9 OE2 GLU A 14 3.610 -2.685 1.485 1.00 0.00 O ATOM 0 HA GLU A 14 1.827 0.909 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.114 0.237 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.822 0.804 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.584 -2.145 -0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.127 -1.433 -0.564 1.00 0.00 H new ATOM 17 N ASP A 15 1.881 -1.056 -3.404 1.00 0.00 N ATOM 18 CA ASP A 15 1.550 -2.118 -4.338 1.00 0.00 C ATOM 19 C ASP A 15 2.841 -2.769 -4.840 1.00 0.00 C ATOM 20 O ASP A 15 3.848 -2.091 -5.033 1.00 0.00 O ATOM 21 CB ASP A 15 0.795 -1.570 -5.551 1.00 0.00 C ATOM 22 CG ASP A 15 -0.024 -2.605 -6.324 1.00 0.00 C ATOM 23 OD1 ASP A 15 -0.411 -2.379 -7.481 1.00 0.00 O ATOM 24 OD2 ASP A 15 -0.267 -3.698 -5.683 1.00 0.00 O ATOM 0 H ASP A 15 2.271 -0.217 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 15 0.921 -2.841 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.127 -0.777 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.514 -1.115 -6.232 1.00 0.00 H new ATOM 30 N GLN A 16 2.768 -4.078 -5.037 1.00 0.00 N ATOM 31 CA GLN A 16 3.917 -4.828 -5.513 1.00 0.00 C ATOM 32 C GLN A 16 4.168 -4.534 -6.994 1.00 0.00 C ATOM 33 O GLN A 16 5.287 -4.207 -7.385 1.00 0.00 O ATOM 34 CB GLN A 16 3.729 -6.328 -5.276 1.00 0.00 C ATOM 35 CG GLN A 16 4.171 -6.720 -3.865 1.00 0.00 C ATOM 36 CD GLN A 16 3.816 -5.626 -2.855 1.00 0.00 C ATOM 37 OE1 GLN A 16 2.662 -5.395 -2.532 1.00 0.00 O ATOM 38 NE2 GLN A 16 4.868 -4.967 -2.378 1.00 0.00 N ATOM 0 H GLN A 16 1.931 -4.638 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 16 4.793 -4.511 -4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.682 -6.594 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.305 -6.891 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.692 -7.655 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.247 -6.896 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.808 -5.211 -2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.735 -4.217 -1.699 1.00 0.00 H new ATOM 47 N GLU A 17 3.106 -4.660 -7.777 1.00 0.00 N ATOM 48 CA GLU A 17 3.197 -4.412 -9.205 1.00 0.00 C ATOM 49 C GLU A 17 3.853 -3.055 -9.468 1.00 0.00 C ATOM 50 O GLU A 17 4.584 -2.893 -10.444 1.00 0.00 O ATOM 51 CB GLU A 17 1.818 -4.491 -9.864 1.00 0.00 C ATOM 52 CG GLU A 17 1.357 -5.943 -9.998 1.00 0.00 C ATOM 53 CD GLU A 17 2.408 -6.789 -10.720 1.00 0.00 C ATOM 54 OE1 GLU A 17 2.543 -7.988 -10.434 1.00 0.00 O ATOM 55 OE2 GLU A 17 3.099 -6.157 -11.607 1.00 0.00 O ATOM 0 H GLU A 17 2.179 -4.930 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 17 3.821 -5.187 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.095 -3.929 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.854 -4.025 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.166 -6.360 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.416 -5.980 -10.547 1.00 0.00 H new ATOM 63 N GLN A 18 3.569 -2.114 -8.579 1.00 0.00 N ATOM 64 CA GLN A 18 4.123 -0.777 -8.703 1.00 0.00 C ATOM 65 C GLN A 18 5.631 -0.801 -8.444 1.00 0.00 C ATOM 66 O GLN A 18 6.375 -0.005 -9.017 1.00 0.00 O ATOM 67 CB GLN A 18 3.420 0.197 -7.755 1.00 0.00 C ATOM 68 CG GLN A 18 1.955 0.387 -8.152 1.00 0.00 C ATOM 69 CD GLN A 18 1.819 1.429 -9.265 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.204 2.578 -9.125 1.00 0.00 O ATOM 71 NE2 GLN A 18 1.251 0.965 -10.374 1.00 0.00 N ATOM 0 H GLN A 18 2.963 -2.251 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 18 3.954 -0.428 -9.722 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.478 -0.179 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.932 1.159 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.539 -0.563 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.377 0.700 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.951 -0.009 -10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.115 1.583 -11.174 1.00 0.00 H new ATOM 80 N TRP A 19 6.037 -1.721 -7.582 1.00 0.00 N ATOM 81 CA TRP A 19 7.443 -1.859 -7.242 1.00 0.00 C ATOM 82 C TRP A 19 8.195 -2.290 -8.503 1.00 0.00 C ATOM 83 O TRP A 19 9.294 -1.807 -8.770 1.00 0.00 O ATOM 84 CB TRP A 19 7.631 -2.828 -6.073 1.00 0.00 C ATOM 85 CG TRP A 19 9.093 -3.058 -5.685 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.927 -2.209 -5.070 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.864 -4.257 -5.911 1.00 0.00 C ATOM 88 NE1 TRP A 19 11.175 -2.769 -4.885 1.00 0.00 N ATOM 89 CE2 TRP A 19 11.135 -4.055 -5.413 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.500 -5.472 -6.518 1.00 0.00 C ATOM 91 CZ2 TRP A 19 12.144 -5.024 -5.469 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.520 -6.430 -6.566 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.804 -6.242 -6.069 1.00 0.00 C ATOM 0 H TRP A 19 5.417 -2.378 -7.109 1.00 0.00 H new ATOM 0 HA TRP A 19 7.853 -0.908 -6.901 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.092 -2.445 -5.207 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.179 -3.786 -6.332 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.657 -1.211 -4.758 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.978 -2.322 -4.443 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.512 -5.652 -6.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 13.131 -4.842 -5.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.293 -7.382 -7.022 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.536 -7.032 -6.145 1.00 0.00 H new ATOM 104 N ALA A 20 7.572 -3.194 -9.244 1.00 0.00 N ATOM 105 CA ALA A 20 8.169 -3.696 -10.471 1.00 0.00 C ATOM 106 C ALA A 20 8.499 -2.518 -11.390 1.00 0.00 C ATOM 107 O ALA A 20 9.600 -2.442 -11.935 1.00 0.00 O ATOM 108 CB ALA A 20 7.219 -4.700 -11.127 1.00 0.00 C ATOM 0 H ALA A 20 6.660 -3.592 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 20 9.101 -4.220 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.666 -5.077 -12.047 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.039 -5.531 -10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.274 -4.209 -11.358 1.00 0.00 H new ATOM 114 N MET A 21 7.527 -1.630 -11.534 1.00 0.00 N ATOM 115 CA MET A 21 7.701 -0.460 -12.378 1.00 0.00 C ATOM 116 C MET A 21 8.993 0.282 -12.028 1.00 0.00 C ATOM 117 O MET A 21 9.627 0.876 -12.898 1.00 0.00 O ATOM 118 CB MET A 21 6.507 0.480 -12.201 1.00 0.00 C ATOM 119 CG MET A 21 5.205 -0.200 -12.627 1.00 0.00 C ATOM 120 SD MET A 21 3.829 0.912 -12.391 1.00 0.00 S ATOM 121 CE MET A 21 3.912 1.835 -13.917 1.00 0.00 C ATOM 0 H MET A 21 6.616 -1.697 -11.080 1.00 0.00 H new ATOM 0 HA MET A 21 7.764 -0.790 -13.415 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.435 0.790 -11.158 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.660 1.383 -12.792 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.267 -0.498 -13.674 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.053 -1.109 -12.045 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.116 2.580 -13.936 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.878 2.335 -13.988 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.792 1.155 -14.760 1.00 0.00 H new ATOM 131 N GLN A 22 9.343 0.222 -10.752 1.00 0.00 N ATOM 132 CA GLN A 22 10.548 0.881 -10.275 1.00 0.00 C ATOM 133 C GLN A 22 11.685 0.701 -11.282 1.00 0.00 C ATOM 134 O GLN A 22 12.069 1.648 -11.966 1.00 0.00 O ATOM 135 CB GLN A 22 10.949 0.358 -8.895 1.00 0.00 C ATOM 136 CG GLN A 22 11.881 1.343 -8.185 1.00 0.00 C ATOM 137 CD GLN A 22 12.459 0.728 -6.909 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.601 0.303 -6.856 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.608 0.704 -5.886 1.00 0.00 N ATOM 0 H GLN A 22 8.814 -0.272 -10.034 1.00 0.00 H new ATOM 0 HA GLN A 22 10.342 1.947 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.057 0.196 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.444 -0.607 -8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.692 1.629 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.335 2.253 -7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.665 1.077 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.899 0.313 -4.990 1.00 0.00 H new ATOM 148 N THR A 23 12.192 -0.522 -11.341 1.00 0.00 N ATOM 149 CA THR A 23 13.278 -0.838 -12.253 1.00 0.00 C ATOM 150 C THR A 23 12.759 -0.925 -13.690 1.00 0.00 C ATOM 151 O THR A 23 13.251 -0.226 -14.575 1.00 0.00 O ATOM 152 CB THR A 23 13.942 -2.128 -11.768 1.00 0.00 C ATOM 153 OG1 THR A 23 14.709 -1.721 -10.638 1.00 0.00 O ATOM 154 CG2 THR A 23 14.985 -2.657 -12.755 1.00 0.00 C ATOM 0 H THR A 23 11.871 -1.305 -10.772 1.00 0.00 H new ATOM 0 HA THR A 23 14.031 -0.050 -12.260 1.00 0.00 H new ATOM 0 HB THR A 23 13.179 -2.889 -11.604 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.172 -2.498 -10.260 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.426 -3.573 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.507 -2.865 -13.712 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.766 -1.910 -12.894 1.00 0.00 H new ATOM 162 N LEU A 24 11.772 -1.789 -13.878 1.00 0.00 N ATOM 163 CA LEU A 24 11.182 -1.976 -15.192 1.00 0.00 C ATOM 164 C LEU A 24 11.103 -0.626 -15.908 1.00 0.00 C ATOM 165 O LEU A 24 11.753 -0.425 -16.933 1.00 0.00 O ATOM 166 CB LEU A 24 9.833 -2.690 -15.077 1.00 0.00 C ATOM 167 CG LEU A 24 9.034 -2.828 -16.374 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.950 -3.899 -16.239 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.456 -1.479 -16.808 1.00 0.00 C ATOM 0 H LEU A 24 11.366 -2.367 -13.142 1.00 0.00 H new ATOM 0 HA LEU A 24 11.810 -2.625 -15.802 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.006 -3.687 -14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.221 -2.153 -14.352 1.00 0.00 H new ATOM 0 HG LEU A 24 9.714 -3.155 -17.161 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.397 -3.977 -17.175 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.413 -4.859 -16.010 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.266 -3.626 -15.435 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.893 -1.605 -17.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.795 -1.099 -16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.268 -0.771 -16.972 1.00 0.00 H new ATOM 181 N MET A 25 10.302 0.263 -15.340 1.00 0.00 N ATOM 182 CA MET A 25 10.130 1.588 -15.912 1.00 0.00 C ATOM 183 C MET A 25 11.380 2.444 -15.697 1.00 0.00 C ATOM 184 O MET A 25 11.680 3.324 -16.502 1.00 0.00 O ATOM 185 CB MET A 25 8.926 2.272 -15.262 1.00 0.00 C ATOM 186 CG MET A 25 9.356 3.519 -14.487 1.00 0.00 C ATOM 187 SD MET A 25 7.971 4.178 -13.573 1.00 0.00 S ATOM 188 CE MET A 25 6.903 4.648 -14.924 1.00 0.00 C ATOM 0 H MET A 25 9.765 0.092 -14.490 1.00 0.00 H new ATOM 0 HA MET A 25 9.964 1.482 -16.984 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.202 2.548 -16.029 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.427 1.575 -14.589 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.168 3.270 -13.804 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.739 4.272 -15.176 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.440 5.610 -14.704 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.489 4.728 -15.840 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.127 3.893 -15.054 1.00 0.00 H new ATOM 198 N GLY A 26 12.077 2.155 -14.608 1.00 0.00 N ATOM 199 CA GLY A 26 13.288 2.887 -14.278 1.00 0.00 C ATOM 200 C GLY A 26 14.394 2.604 -15.296 1.00 0.00 C ATOM 201 O GLY A 26 15.438 3.254 -15.280 1.00 0.00 O ATOM 0 H GLY A 26 11.826 1.424 -13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.076 3.956 -14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.626 2.606 -13.281 1.00 0.00 H new ATOM 205 N SER A 27 14.127 1.634 -16.158 1.00 0.00 N ATOM 206 CA SER A 27 15.087 1.257 -17.182 1.00 0.00 C ATOM 207 C SER A 27 15.287 2.415 -18.162 1.00 0.00 C ATOM 208 O SER A 27 16.177 2.367 -19.010 1.00 0.00 O ATOM 209 CB SER A 27 14.633 0.002 -17.928 1.00 0.00 C ATOM 210 OG SER A 27 14.054 0.312 -19.192 1.00 0.00 O ATOM 0 H SER A 27 13.260 1.098 -16.169 1.00 0.00 H new ATOM 0 HA SER A 27 16.036 1.033 -16.695 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.485 -0.662 -18.073 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.908 -0.539 -17.320 1.00 0.00 H new ATOM 0 HG SER A 27 14.753 0.320 -19.879 1.00 0.00 H new ATOM 216 N GLY A 28 14.445 3.426 -18.014 1.00 0.00 N ATOM 217 CA GLY A 28 14.518 4.593 -18.876 1.00 0.00 C ATOM 218 C GLY A 28 13.493 4.504 -20.009 1.00 0.00 C ATOM 219 O GLY A 28 13.515 5.312 -20.936 1.00 0.00 O ATOM 0 H GLY A 28 13.708 3.462 -17.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.340 5.494 -18.290 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.521 4.678 -19.294 1.00 0.00 H new ATOM 223 N VAL A 29 12.620 3.514 -19.896 1.00 0.00 N ATOM 224 CA VAL A 29 11.588 3.308 -20.899 1.00 0.00 C ATOM 225 C VAL A 29 10.520 4.394 -20.756 1.00 0.00 C ATOM 226 O VAL A 29 10.101 4.991 -21.747 1.00 0.00 O ATOM 227 CB VAL A 29 11.021 1.892 -20.783 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.797 1.716 -21.685 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.090 0.845 -21.099 1.00 0.00 C ATOM 0 H VAL A 29 12.606 2.846 -19.126 1.00 0.00 H new ATOM 0 HA VAL A 29 12.007 3.394 -21.902 1.00 0.00 H new ATOM 0 HB VAL A 29 10.702 1.743 -19.752 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.413 0.701 -21.584 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.024 2.427 -21.392 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.081 1.895 -22.722 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.660 -0.153 -21.009 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.455 0.993 -22.116 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.918 0.948 -20.398 1.00 0.00 H new ATOM 239 N LEU A 30 10.111 4.617 -19.516 1.00 0.00 N ATOM 240 CA LEU A 30 9.099 5.620 -19.231 1.00 0.00 C ATOM 241 C LEU A 30 9.768 6.854 -18.621 1.00 0.00 C ATOM 242 O LEU A 30 10.982 6.871 -18.420 1.00 0.00 O ATOM 243 CB LEU A 30 7.989 5.029 -18.360 1.00 0.00 C ATOM 244 CG LEU A 30 7.014 4.085 -19.066 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.183 3.296 -18.052 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.134 4.846 -20.060 1.00 0.00 C ATOM 0 H LEU A 30 10.462 4.120 -18.697 1.00 0.00 H new ATOM 0 HA LEU A 30 8.612 5.942 -20.152 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.451 4.490 -17.533 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.419 5.850 -17.926 1.00 0.00 H new ATOM 0 HG LEU A 30 7.595 3.362 -19.639 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.498 2.633 -18.580 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.846 2.705 -17.420 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.612 3.988 -17.432 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.451 4.151 -20.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.561 5.607 -19.530 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.763 5.323 -20.811 1.00 0.00 H new ATOM 258 N ALA A 31 8.948 7.856 -18.343 1.00 0.00 N ATOM 259 CA ALA A 31 9.445 9.091 -17.760 1.00 0.00 C ATOM 260 C ALA A 31 8.690 9.375 -16.459 1.00 0.00 C ATOM 261 O ALA A 31 7.462 9.315 -16.424 1.00 0.00 O ATOM 262 CB ALA A 31 9.307 10.227 -18.775 1.00 0.00 C ATOM 0 H ALA A 31 7.942 7.838 -18.511 1.00 0.00 H new ATOM 0 HA ALA A 31 10.503 9.001 -17.514 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.680 11.153 -18.337 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.885 9.989 -19.668 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.258 10.349 -19.044 1.00 0.00 H new ATOM 268 N ARG A 32 9.457 9.680 -15.422 1.00 0.00 N ATOM 269 CA ARG A 32 8.876 9.974 -14.123 1.00 0.00 C ATOM 270 C ARG A 32 9.356 11.338 -13.624 1.00 0.00 C ATOM 271 O ARG A 32 10.446 11.784 -13.979 1.00 0.00 O ATOM 272 CB ARG A 32 9.250 8.902 -13.097 1.00 0.00 C ATOM 273 CG ARG A 32 10.764 8.687 -13.056 1.00 0.00 C ATOM 274 CD ARG A 32 11.135 7.593 -12.054 1.00 0.00 C ATOM 275 NE ARG A 32 12.552 7.736 -11.649 1.00 0.00 N ATOM 276 CZ ARG A 32 13.015 8.727 -10.874 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.177 9.667 -10.416 1.00 0.00 N ATOM 278 NH2 ARG A 32 14.316 8.777 -10.558 1.00 0.00 N ATOM 0 H ARG A 32 10.475 9.730 -15.455 1.00 0.00 H new ATOM 0 HA ARG A 32 7.792 9.987 -14.239 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.894 9.198 -12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.753 7.965 -13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.123 8.413 -14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.260 9.618 -12.783 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.490 7.657 -11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.973 6.611 -12.499 1.00 0.00 H new ATOM 0 HE ARG A 32 13.217 7.037 -11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.187 9.629 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.529 10.421 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.953 8.061 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.669 9.531 -9.968 1.00 0.00 H new ATOM 292 N CYS A 33 8.519 11.962 -12.809 1.00 0.00 N ATOM 293 CA CYS A 33 8.844 13.267 -12.257 1.00 0.00 C ATOM 294 C CYS A 33 9.587 13.058 -10.935 1.00 0.00 C ATOM 295 O CYS A 33 9.209 12.203 -10.136 1.00 0.00 O ATOM 296 CB CYS A 33 7.596 14.133 -12.080 1.00 0.00 C ATOM 297 SG CYS A 33 8.078 15.837 -11.617 1.00 0.00 S ATOM 0 H CYS A 33 7.616 11.588 -12.517 1.00 0.00 H new ATOM 0 HA CYS A 33 9.486 13.809 -12.951 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.019 14.148 -13.005 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.953 13.706 -11.310 1.00 0.00 H new ATOM 302 N ARG A 34 10.629 13.853 -10.747 1.00 0.00 N ATOM 303 CA ARG A 34 11.428 13.766 -9.536 1.00 0.00 C ATOM 304 C ARG A 34 10.565 14.066 -8.309 1.00 0.00 C ATOM 305 O ARG A 34 10.887 13.640 -7.201 1.00 0.00 O ATOM 306 CB ARG A 34 12.601 14.747 -9.579 1.00 0.00 C ATOM 307 CG ARG A 34 13.590 14.468 -8.445 1.00 0.00 C ATOM 308 CD ARG A 34 14.470 15.690 -8.172 1.00 0.00 C ATOM 309 NE ARG A 34 15.348 15.432 -7.009 1.00 0.00 N ATOM 310 CZ ARG A 34 16.461 16.127 -6.739 1.00 0.00 C ATOM 311 NH1 ARG A 34 16.839 17.127 -7.547 1.00 0.00 N ATOM 312 NH2 ARG A 34 17.196 15.823 -5.660 1.00 0.00 N ATOM 0 H ARG A 34 10.939 14.561 -11.413 1.00 0.00 H new ATOM 0 HA ARG A 34 11.820 12.751 -9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.111 14.668 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.229 15.768 -9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.045 14.198 -7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.217 13.615 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.074 15.917 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.846 16.563 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 34 15.089 14.678 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.279 17.359 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.686 17.656 -7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.908 15.062 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.043 16.352 -5.455 1.00 0.00 H new ATOM 326 N ILE A 35 9.486 14.797 -8.548 1.00 0.00 N ATOM 327 CA ILE A 35 8.575 15.160 -7.476 1.00 0.00 C ATOM 328 C ILE A 35 7.481 14.096 -7.361 1.00 0.00 C ATOM 329 O ILE A 35 6.821 13.988 -6.329 1.00 0.00 O ATOM 330 CB ILE A 35 8.036 16.576 -7.686 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.171 17.602 -7.674 1.00 0.00 C ATOM 332 CG2 ILE A 35 6.952 16.908 -6.659 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.665 18.984 -8.092 1.00 0.00 C ATOM 0 H ILE A 35 9.222 15.148 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 35 9.100 15.183 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 35 7.571 16.622 -8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.606 17.657 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.963 17.281 -8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.586 17.920 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.128 16.202 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.369 16.839 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.491 19.695 -8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.253 18.931 -9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.890 19.312 -7.400 1.00 0.00 H new ATOM 345 N HIS A 36 7.323 13.337 -8.436 1.00 0.00 N ATOM 346 CA HIS A 36 6.321 12.286 -8.468 1.00 0.00 C ATOM 347 C HIS A 36 6.986 10.952 -8.815 1.00 0.00 C ATOM 348 O HIS A 36 7.335 10.710 -9.970 1.00 0.00 O ATOM 349 CB HIS A 36 5.185 12.648 -9.427 1.00 0.00 C ATOM 350 CG HIS A 36 4.938 14.133 -9.554 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.939 14.988 -8.466 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.684 14.903 -10.650 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.695 16.216 -8.900 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.537 16.161 -10.253 1.00 0.00 N ATOM 0 H HIS A 36 7.872 13.429 -9.291 1.00 0.00 H new ATOM 0 HA HIS A 36 5.868 12.181 -7.482 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.412 12.242 -10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.269 12.165 -9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.614 14.550 -11.668 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.632 17.104 -8.289 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.338 16.956 -10.860 1.00 0.00 H new ATOM 362 N ASN A 37 7.143 10.122 -7.794 1.00 0.00 N ATOM 363 CA ASN A 37 7.760 8.820 -7.977 1.00 0.00 C ATOM 364 C ASN A 37 6.668 7.762 -8.145 1.00 0.00 C ATOM 365 O ASN A 37 6.957 6.613 -8.478 1.00 0.00 O ATOM 366 CB ASN A 37 8.606 8.436 -6.761 1.00 0.00 C ATOM 367 CG ASN A 37 9.606 9.543 -6.418 1.00 0.00 C ATOM 368 OD1 ASN A 37 9.272 10.713 -6.336 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.848 9.108 -6.223 1.00 0.00 N ATOM 0 H ASN A 37 6.853 10.326 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 37 8.398 8.870 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.957 8.250 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.140 7.508 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.589 9.769 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.059 8.114 -6.307 1.00 0.00 H new ATOM 376 N ASP A 38 5.436 8.186 -7.908 1.00 0.00 N ATOM 377 CA ASP A 38 4.299 7.289 -8.029 1.00 0.00 C ATOM 378 C ASP A 38 3.513 7.638 -9.295 1.00 0.00 C ATOM 379 O ASP A 38 2.358 7.240 -9.442 1.00 0.00 O ATOM 380 CB ASP A 38 3.356 7.431 -6.833 1.00 0.00 C ATOM 381 CG ASP A 38 2.242 6.385 -6.761 1.00 0.00 C ATOM 382 OD1 ASP A 38 2.413 5.238 -7.201 1.00 0.00 O ATOM 383 OD2 ASP A 38 1.145 6.793 -6.218 1.00 0.00 O ATOM 0 H ASP A 38 5.200 9.139 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 38 4.678 6.268 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.944 7.377 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.902 8.422 -6.863 1.00 0.00 H new ATOM 389 N VAL A 39 4.170 8.377 -10.176 1.00 0.00 N ATOM 390 CA VAL A 39 3.547 8.783 -11.425 1.00 0.00 C ATOM 391 C VAL A 39 4.294 8.141 -12.595 1.00 0.00 C ATOM 392 O VAL A 39 5.499 7.907 -12.513 1.00 0.00 O ATOM 393 CB VAL A 39 3.498 10.310 -11.512 1.00 0.00 C ATOM 394 CG1 VAL A 39 4.722 10.857 -12.250 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.202 10.780 -12.177 1.00 0.00 C ATOM 0 H VAL A 39 5.127 8.705 -10.050 1.00 0.00 H new ATOM 0 HA VAL A 39 2.515 8.435 -11.469 1.00 0.00 H new ATOM 0 HB VAL A 39 3.516 10.704 -10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.662 11.944 -12.298 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.628 10.566 -11.718 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.749 10.450 -13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.192 11.869 -12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.141 10.371 -13.185 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.348 10.436 -11.594 1.00 0.00 H new ATOM 405 N ILE A 40 3.548 7.875 -13.657 1.00 0.00 N ATOM 406 CA ILE A 40 4.125 7.265 -14.843 1.00 0.00 C ATOM 407 C ILE A 40 3.802 8.128 -16.064 1.00 0.00 C ATOM 408 O ILE A 40 2.640 8.443 -16.316 1.00 0.00 O ATOM 409 CB ILE A 40 3.663 5.812 -14.977 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.615 5.385 -16.445 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.321 5.597 -14.274 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.094 3.953 -16.583 1.00 0.00 C ATOM 0 H ILE A 40 2.549 8.071 -13.721 1.00 0.00 H new ATOM 0 HA ILE A 40 5.211 7.224 -14.760 1.00 0.00 H new ATOM 0 HB ILE A 40 4.394 5.174 -14.480 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.972 6.065 -17.004 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.611 5.457 -16.881 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.015 4.557 -14.384 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.423 5.835 -13.215 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.568 6.246 -14.721 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.070 3.675 -17.637 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.752 3.273 -16.043 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.088 3.890 -16.168 1.00 0.00 H new ATOM 424 N LEU A 41 4.851 8.486 -16.790 1.00 0.00 N ATOM 425 CA LEU A 41 4.694 9.307 -17.979 1.00 0.00 C ATOM 426 C LEU A 41 5.166 8.520 -19.203 1.00 0.00 C ATOM 427 O LEU A 41 6.131 7.761 -19.123 1.00 0.00 O ATOM 428 CB LEU A 41 5.404 10.650 -17.800 1.00 0.00 C ATOM 429 CG LEU A 41 5.333 11.265 -16.401 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.503 12.222 -16.163 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.981 11.944 -16.168 1.00 0.00 C ATOM 0 H LEU A 41 5.813 8.223 -16.578 1.00 0.00 H new ATOM 0 HA LEU A 41 3.643 9.547 -18.140 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.453 10.522 -18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.979 11.360 -18.509 1.00 0.00 H new ATOM 0 HG LEU A 41 5.420 10.461 -15.670 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.429 12.645 -15.161 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.443 11.678 -16.258 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.472 13.025 -16.900 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.957 12.373 -15.166 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.839 12.735 -16.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.183 11.209 -16.267 1.00 0.00 H new ATOM 443 N ASP A 42 4.464 8.728 -20.307 1.00 0.00 N ATOM 444 CA ASP A 42 4.800 8.047 -21.546 1.00 0.00 C ATOM 445 C ASP A 42 5.957 8.780 -22.229 1.00 0.00 C ATOM 446 O ASP A 42 5.951 10.007 -22.320 1.00 0.00 O ATOM 447 CB ASP A 42 3.611 8.039 -22.510 1.00 0.00 C ATOM 448 CG ASP A 42 2.624 6.888 -22.309 1.00 0.00 C ATOM 449 OD1 ASP A 42 2.190 6.608 -21.181 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.296 6.257 -23.385 1.00 0.00 O ATOM 0 H ASP A 42 3.664 9.358 -20.370 1.00 0.00 H new ATOM 0 HA ASP A 42 5.075 7.021 -21.303 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.073 8.981 -22.407 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.991 7.998 -23.531 1.00 0.00 H new ATOM 456 N SER A 43 6.921 7.998 -22.690 1.00 0.00 N ATOM 457 CA SER A 43 8.082 8.557 -23.362 1.00 0.00 C ATOM 458 C SER A 43 8.051 8.197 -24.848 1.00 0.00 C ATOM 459 O SER A 43 8.339 9.036 -25.700 1.00 0.00 O ATOM 460 CB SER A 43 9.380 8.061 -22.722 1.00 0.00 C ATOM 461 OG SER A 43 10.441 9.001 -22.870 1.00 0.00 O ATOM 0 H SER A 43 6.922 6.981 -22.612 1.00 0.00 H new ATOM 0 HA SER A 43 8.048 9.641 -23.258 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.211 7.868 -21.662 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.669 7.113 -23.176 1.00 0.00 H new ATOM 0 HG SER A 43 11.252 8.649 -22.447 1.00 0.00 H new ATOM 467 N GLY A 44 7.700 6.947 -25.114 1.00 0.00 N ATOM 468 CA GLY A 44 7.628 6.465 -26.483 1.00 0.00 C ATOM 469 C GLY A 44 8.943 5.806 -26.902 1.00 0.00 C ATOM 470 O GLY A 44 9.304 5.825 -28.078 1.00 0.00 O ATOM 0 H GLY A 44 7.462 6.254 -24.405 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.812 5.749 -26.578 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.403 7.295 -27.153 1.00 0.00 H new ATOM 474 N ASN A 45 9.623 5.238 -25.917 1.00 0.00 N ATOM 475 CA ASN A 45 10.891 4.574 -26.169 1.00 0.00 C ATOM 476 C ASN A 45 10.648 3.075 -26.356 1.00 0.00 C ATOM 477 O ASN A 45 9.524 2.600 -26.199 1.00 0.00 O ATOM 478 CB ASN A 45 11.851 4.754 -24.991 1.00 0.00 C ATOM 479 CG ASN A 45 13.307 4.708 -25.459 1.00 0.00 C ATOM 480 OD1 ASN A 45 13.728 5.444 -26.336 1.00 0.00 O ATOM 481 ND2 ASN A 45 14.050 3.805 -24.826 1.00 0.00 N ATOM 0 H ASN A 45 9.320 5.224 -24.943 1.00 0.00 H new ATOM 0 HA ASN A 45 11.331 5.015 -27.063 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.653 5.706 -24.498 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.678 3.971 -24.253 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.036 3.697 -25.066 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.634 3.220 -24.101 1.00 0.00 H new ATOM 488 N ASP A 46 11.720 2.371 -26.689 1.00 0.00 N ATOM 489 CA ASP A 46 11.638 0.936 -26.899 1.00 0.00 C ATOM 490 C ASP A 46 10.930 0.290 -25.706 1.00 0.00 C ATOM 491 O ASP A 46 11.521 0.136 -24.638 1.00 0.00 O ATOM 492 CB ASP A 46 13.031 0.315 -27.014 1.00 0.00 C ATOM 493 CG ASP A 46 13.789 0.661 -28.298 1.00 0.00 C ATOM 494 OD1 ASP A 46 13.720 1.796 -28.794 1.00 0.00 O ATOM 495 OD2 ASP A 46 14.482 -0.305 -28.799 1.00 0.00 O ATOM 0 H ASP A 46 12.650 2.768 -26.819 1.00 0.00 H new ATOM 0 HA ASP A 46 11.088 0.762 -27.824 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.627 0.636 -26.160 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.936 -0.769 -26.947 1.00 0.00 H new ATOM 501 N ALA A 47 9.674 -0.070 -25.927 1.00 0.00 N ATOM 502 CA ALA A 47 8.880 -0.696 -24.884 1.00 0.00 C ATOM 503 C ALA A 47 9.303 -2.159 -24.735 1.00 0.00 C ATOM 504 O ALA A 47 9.213 -2.727 -23.648 1.00 0.00 O ATOM 505 CB ALA A 47 7.394 -0.549 -25.217 1.00 0.00 C ATOM 0 H ALA A 47 9.187 0.060 -26.814 1.00 0.00 H new ATOM 0 HA ALA A 47 9.050 -0.205 -23.926 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.798 -1.019 -24.435 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.139 0.509 -25.282 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.185 -1.032 -26.172 1.00 0.00 H new ATOM 511 N SER A 48 9.754 -2.727 -25.843 1.00 0.00 N ATOM 512 CA SER A 48 10.191 -4.113 -25.850 1.00 0.00 C ATOM 513 C SER A 48 11.208 -4.346 -24.731 1.00 0.00 C ATOM 514 O SER A 48 11.110 -5.324 -23.991 1.00 0.00 O ATOM 515 CB SER A 48 10.794 -4.494 -27.203 1.00 0.00 C ATOM 516 OG SER A 48 9.828 -4.449 -28.250 1.00 0.00 O ATOM 0 H SER A 48 9.826 -2.253 -26.743 1.00 0.00 H new ATOM 0 HA SER A 48 9.321 -4.747 -25.680 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.615 -3.816 -27.438 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.216 -5.497 -27.142 1.00 0.00 H new ATOM 0 HG SER A 48 10.253 -4.697 -29.098 1.00 0.00 H new ATOM 522 N SER A 49 12.162 -3.431 -24.642 1.00 0.00 N ATOM 523 CA SER A 49 13.197 -3.524 -23.626 1.00 0.00 C ATOM 524 C SER A 49 12.567 -3.475 -22.232 1.00 0.00 C ATOM 525 O SER A 49 12.938 -4.250 -21.352 1.00 0.00 O ATOM 526 CB SER A 49 14.226 -2.404 -23.783 1.00 0.00 C ATOM 527 OG SER A 49 13.863 -1.238 -23.048 1.00 0.00 O ATOM 0 H SER A 49 12.240 -2.621 -25.257 1.00 0.00 H new ATOM 0 HA SER A 49 13.715 -4.475 -23.751 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.200 -2.757 -23.445 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.328 -2.150 -24.838 1.00 0.00 H new ATOM 0 HG SER A 49 13.123 -0.783 -23.501 1.00 0.00 H new ATOM 533 N ALA A 50 11.625 -2.557 -22.075 1.00 0.00 N ATOM 534 CA ALA A 50 10.941 -2.396 -20.804 1.00 0.00 C ATOM 535 C ALA A 50 10.280 -3.720 -20.415 1.00 0.00 C ATOM 536 O ALA A 50 10.451 -4.198 -19.295 1.00 0.00 O ATOM 537 CB ALA A 50 9.933 -1.250 -20.908 1.00 0.00 C ATOM 0 H ALA A 50 11.319 -1.917 -22.808 1.00 0.00 H new ATOM 0 HA ALA A 50 11.649 -2.137 -20.017 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.420 -1.129 -19.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.456 -0.327 -21.158 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.204 -1.476 -21.686 1.00 0.00 H new ATOM 543 N TYR A 51 9.538 -4.275 -21.362 1.00 0.00 N ATOM 544 CA TYR A 51 8.850 -5.534 -21.132 1.00 0.00 C ATOM 545 C TYR A 51 9.825 -6.611 -20.651 1.00 0.00 C ATOM 546 O TYR A 51 9.544 -7.321 -19.686 1.00 0.00 O ATOM 547 CB TYR A 51 8.274 -5.953 -22.486 1.00 0.00 C ATOM 548 CG TYR A 51 6.956 -5.262 -22.843 1.00 0.00 C ATOM 549 CD1 TYR A 51 5.818 -5.526 -22.108 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.906 -4.374 -23.898 1.00 0.00 C ATOM 551 CE1 TYR A 51 4.578 -4.875 -22.443 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.666 -3.724 -24.234 1.00 0.00 C ATOM 553 CZ TYR A 51 4.563 -4.006 -23.490 1.00 0.00 C ATOM 554 OH TYR A 51 3.392 -3.392 -23.806 1.00 0.00 O ATOM 0 H TYR A 51 9.398 -3.876 -22.290 1.00 0.00 H new ATOM 0 HA TYR A 51 8.081 -5.418 -20.368 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.007 -5.738 -23.263 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.118 -7.032 -22.485 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.858 -6.221 -21.282 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.797 -4.167 -24.472 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.680 -5.072 -21.876 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.613 -3.028 -25.058 1.00 0.00 H new ATOM 0 HH TYR A 51 3.531 -2.799 -24.573 1.00 0.00 H new ATOM 564 N LYS A 52 10.949 -6.699 -21.346 1.00 0.00 N ATOM 565 CA LYS A 52 11.967 -7.678 -21.001 1.00 0.00 C ATOM 566 C LYS A 52 12.468 -7.408 -19.581 1.00 0.00 C ATOM 567 O LYS A 52 12.531 -8.320 -18.758 1.00 0.00 O ATOM 568 CB LYS A 52 13.078 -7.688 -22.053 1.00 0.00 C ATOM 569 CG LYS A 52 12.756 -8.671 -23.181 1.00 0.00 C ATOM 570 CD LYS A 52 14.017 -9.037 -23.966 1.00 0.00 C ATOM 571 CE LYS A 52 13.660 -9.655 -25.320 1.00 0.00 C ATOM 572 NZ LYS A 52 14.864 -10.230 -25.960 1.00 0.00 N ATOM 0 H LYS A 52 11.178 -6.109 -22.146 1.00 0.00 H new ATOM 0 HA LYS A 52 11.546 -8.683 -21.005 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.204 -6.686 -22.464 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.024 -7.962 -21.586 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.308 -9.573 -22.765 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.020 -8.230 -23.853 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.626 -8.146 -24.118 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.618 -9.740 -23.389 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.907 -10.431 -25.185 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.223 -8.896 -25.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.605 -10.645 -26.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.571 -9.481 -26.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.264 -10.968 -25.347 1.00 0.00 H new ATOM 586 N LEU A 53 12.811 -6.152 -19.337 1.00 0.00 N ATOM 587 CA LEU A 53 13.304 -5.750 -18.031 1.00 0.00 C ATOM 588 C LEU A 53 12.255 -6.087 -16.969 1.00 0.00 C ATOM 589 O LEU A 53 12.598 -6.458 -15.848 1.00 0.00 O ATOM 590 CB LEU A 53 13.716 -4.277 -18.043 1.00 0.00 C ATOM 591 CG LEU A 53 14.729 -3.873 -19.116 1.00 0.00 C ATOM 592 CD1 LEU A 53 14.456 -2.455 -19.621 1.00 0.00 C ATOM 593 CD2 LEU A 53 16.162 -4.033 -18.605 1.00 0.00 C ATOM 0 H LEU A 53 12.757 -5.399 -20.023 1.00 0.00 H new ATOM 0 HA LEU A 53 14.206 -6.306 -17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.819 -3.670 -18.171 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.132 -4.029 -17.067 1.00 0.00 H new ATOM 0 HG LEU A 53 14.613 -4.546 -19.966 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.190 -2.192 -20.383 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.455 -2.408 -20.050 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.528 -1.753 -18.790 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.862 -3.739 -19.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.309 -3.400 -17.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.337 -5.074 -18.333 1.00 0.00 H new ATOM 605 N GLY A 54 10.997 -5.945 -17.361 1.00 0.00 N ATOM 606 CA GLY A 54 9.895 -6.229 -16.457 1.00 0.00 C ATOM 607 C GLY A 54 9.858 -7.713 -16.086 1.00 0.00 C ATOM 608 O GLY A 54 9.741 -8.061 -14.912 1.00 0.00 O ATOM 0 H GLY A 54 10.717 -5.637 -18.292 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.997 -5.627 -15.554 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.953 -5.944 -16.926 1.00 0.00 H new ATOM 612 N THR A 55 9.961 -8.548 -17.110 1.00 0.00 N ATOM 613 CA THR A 55 9.941 -9.987 -16.907 1.00 0.00 C ATOM 614 C THR A 55 11.194 -10.436 -16.152 1.00 0.00 C ATOM 615 O THR A 55 11.143 -11.378 -15.362 1.00 0.00 O ATOM 616 CB THR A 55 9.783 -10.655 -18.274 1.00 0.00 C ATOM 617 OG1 THR A 55 8.373 -10.761 -18.448 1.00 0.00 O ATOM 618 CG2 THR A 55 10.269 -12.106 -18.276 1.00 0.00 C ATOM 0 H THR A 55 10.059 -8.256 -18.082 1.00 0.00 H new ATOM 0 HA THR A 55 9.099 -10.287 -16.284 1.00 0.00 H new ATOM 0 HB THR A 55 10.335 -10.086 -19.022 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.967 -9.872 -18.377 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.135 -12.533 -19.270 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.325 -12.136 -18.008 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.694 -12.683 -17.552 1.00 0.00 H new ATOM 626 N TYR A 56 12.290 -9.741 -16.422 1.00 0.00 N ATOM 627 CA TYR A 56 13.553 -10.057 -15.778 1.00 0.00 C ATOM 628 C TYR A 56 13.460 -9.864 -14.263 1.00 0.00 C ATOM 629 O TYR A 56 13.803 -10.763 -13.496 1.00 0.00 O ATOM 630 CB TYR A 56 14.574 -9.068 -16.344 1.00 0.00 C ATOM 631 CG TYR A 56 15.998 -9.278 -15.825 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.367 -10.498 -15.296 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.913 -8.247 -15.885 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.707 -10.695 -14.807 1.00 0.00 C ATOM 635 CE2 TYR A 56 18.253 -8.444 -15.397 1.00 0.00 C ATOM 636 CZ TYR A 56 18.584 -9.658 -14.882 1.00 0.00 C ATOM 637 OH TYR A 56 19.850 -9.844 -14.420 1.00 0.00 O ATOM 0 H TYR A 56 12.329 -8.961 -17.078 1.00 0.00 H new ATOM 0 HA TYR A 56 13.829 -11.095 -15.963 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.579 -9.149 -17.431 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.256 -8.054 -16.101 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.651 -11.305 -15.249 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.624 -7.292 -16.298 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.009 -11.645 -14.390 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.979 -7.645 -15.439 1.00 0.00 H new ATOM 0 HH TYR A 56 20.366 -9.019 -14.538 1.00 0.00 H new ATOM 647 N LEU A 57 12.995 -8.685 -13.876 1.00 0.00 N ATOM 648 CA LEU A 57 12.852 -8.362 -12.467 1.00 0.00 C ATOM 649 C LEU A 57 11.717 -9.196 -11.869 1.00 0.00 C ATOM 650 O LEU A 57 11.884 -9.821 -10.823 1.00 0.00 O ATOM 651 CB LEU A 57 12.674 -6.855 -12.278 1.00 0.00 C ATOM 652 CG LEU A 57 12.367 -6.389 -10.853 1.00 0.00 C ATOM 653 CD1 LEU A 57 13.066 -5.062 -10.548 1.00 0.00 C ATOM 654 CD2 LEU A 57 10.858 -6.310 -10.615 1.00 0.00 C ATOM 0 H LEU A 57 12.712 -7.941 -14.515 1.00 0.00 H new ATOM 0 HA LEU A 57 13.760 -8.623 -11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.583 -6.357 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.868 -6.520 -12.930 1.00 0.00 H new ATOM 0 HG LEU A 57 12.764 -7.129 -10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.832 -4.753 -9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.144 -5.187 -10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.721 -4.300 -11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.668 -5.976 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.416 -5.603 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.414 -7.294 -10.764 1.00 0.00 H new ATOM 666 N TYR A 58 10.586 -9.178 -12.560 1.00 0.00 N ATOM 667 CA TYR A 58 9.423 -9.924 -12.111 1.00 0.00 C ATOM 668 C TYR A 58 9.817 -11.329 -11.651 1.00 0.00 C ATOM 669 O TYR A 58 9.462 -11.749 -10.551 1.00 0.00 O ATOM 670 CB TYR A 58 8.500 -10.038 -13.326 1.00 0.00 C ATOM 671 CG TYR A 58 7.467 -8.914 -13.429 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.798 -8.485 -12.301 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.203 -8.330 -14.652 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.826 -7.427 -12.399 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.231 -7.273 -14.750 1.00 0.00 C ATOM 676 CZ TYR A 58 5.590 -6.873 -13.618 1.00 0.00 C ATOM 677 OH TYR A 58 4.672 -5.875 -13.711 1.00 0.00 O ATOM 0 H TYR A 58 10.451 -8.658 -13.427 1.00 0.00 H new ATOM 0 HA TYR A 58 8.946 -9.421 -11.270 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.107 -10.044 -14.231 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.979 -10.994 -13.285 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.003 -8.943 -11.345 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.726 -8.666 -15.535 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.296 -7.081 -11.524 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.015 -6.808 -15.700 1.00 0.00 H new ATOM 0 HH TYR A 58 4.044 -5.937 -12.961 1.00 0.00 H new ATOM 687 N GLN A 59 10.546 -12.018 -12.517 1.00 0.00 N ATOM 688 CA GLN A 59 10.992 -13.367 -12.214 1.00 0.00 C ATOM 689 C GLN A 59 11.909 -13.885 -13.324 1.00 0.00 C ATOM 690 O GLN A 59 11.739 -13.532 -14.490 1.00 0.00 O ATOM 691 CB GLN A 59 9.801 -14.304 -12.005 1.00 0.00 C ATOM 692 CG GLN A 59 10.199 -15.516 -11.159 1.00 0.00 C ATOM 693 CD GLN A 59 8.977 -16.371 -10.817 1.00 0.00 C ATOM 694 OE1 GLN A 59 7.858 -16.085 -11.210 1.00 0.00 O ATOM 695 NE2 GLN A 59 9.253 -17.432 -10.064 1.00 0.00 N ATOM 0 H GLN A 59 10.839 -11.667 -13.429 1.00 0.00 H new ATOM 0 HA GLN A 59 11.559 -13.341 -11.284 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.991 -13.764 -11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.423 -14.639 -12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.929 -16.118 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.681 -15.181 -10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.213 -17.613 -9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.505 -18.065 -9.781 1.00 0.00 H new ATOM 704 N LYS A 60 12.861 -14.714 -12.923 1.00 0.00 N ATOM 705 CA LYS A 60 13.805 -15.284 -13.869 1.00 0.00 C ATOM 706 C LYS A 60 13.037 -15.905 -15.037 1.00 0.00 C ATOM 707 O LYS A 60 11.808 -15.861 -15.070 1.00 0.00 O ATOM 708 CB LYS A 60 14.748 -16.261 -13.163 1.00 0.00 C ATOM 709 CG LYS A 60 16.200 -16.017 -13.577 1.00 0.00 C ATOM 710 CD LYS A 60 16.990 -17.327 -13.605 1.00 0.00 C ATOM 711 CE LYS A 60 17.078 -17.944 -12.207 1.00 0.00 C ATOM 712 NZ LYS A 60 15.862 -18.734 -11.911 1.00 0.00 N ATOM 0 H LYS A 60 12.999 -15.005 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 60 14.444 -14.506 -14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.650 -16.150 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.464 -17.285 -13.405 1.00 0.00 H new ATOM 0 HG2 LYS A 60 16.228 -15.551 -14.562 1.00 0.00 H new ATOM 0 HG3 LYS A 60 16.668 -15.321 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.512 -18.030 -14.287 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.993 -17.143 -13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.959 -18.583 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.197 -17.157 -11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.117 -19.562 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.184 -18.144 -11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.429 -19.052 -12.802 1.00 0.00 H new ATOM 726 N ASP A 61 13.793 -16.470 -15.967 1.00 0.00 N ATOM 727 CA ASP A 61 13.199 -17.100 -17.134 1.00 0.00 C ATOM 728 C ASP A 61 12.140 -18.106 -16.681 1.00 0.00 C ATOM 729 O ASP A 61 12.468 -19.228 -16.296 1.00 0.00 O ATOM 730 CB ASP A 61 14.252 -17.856 -17.948 1.00 0.00 C ATOM 731 CG ASP A 61 13.717 -18.571 -19.190 1.00 0.00 C ATOM 732 OD1 ASP A 61 14.028 -19.747 -19.433 1.00 0.00 O ATOM 733 OD2 ASP A 61 12.939 -17.862 -19.935 1.00 0.00 O ATOM 0 H ASP A 61 14.812 -16.505 -15.936 1.00 0.00 H new ATOM 0 HA ASP A 61 12.759 -16.318 -17.752 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.025 -17.152 -18.257 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.730 -18.592 -17.301 1.00 0.00 H new ATOM 739 N ASN A 62 10.890 -17.669 -16.742 1.00 0.00 N ATOM 740 CA ASN A 62 9.780 -18.518 -16.343 1.00 0.00 C ATOM 741 C ASN A 62 9.171 -19.171 -17.585 1.00 0.00 C ATOM 742 O ASN A 62 8.048 -19.671 -17.540 1.00 0.00 O ATOM 743 CB ASN A 62 8.686 -17.704 -15.651 1.00 0.00 C ATOM 744 CG ASN A 62 8.132 -18.451 -14.435 1.00 0.00 C ATOM 745 OD1 ASN A 62 8.045 -19.767 -14.603 1.00 0.00 O flip ATOM 746 ND2 ASN A 62 7.805 -17.870 -13.413 1.00 0.00 N flip ATOM 0 H ASN A 62 10.622 -16.738 -17.062 1.00 0.00 H new ATOM 0 HA ASN A 62 10.161 -19.270 -15.652 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.088 -16.740 -15.338 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.879 -17.500 -16.355 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.898 -16.856 -13.351 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.439 -18.398 -12.621 1.00 0.00 H new ATOM 753 N SER A 63 9.938 -19.144 -18.665 1.00 0.00 N ATOM 754 CA SER A 63 9.487 -19.727 -19.917 1.00 0.00 C ATOM 755 C SER A 63 9.026 -21.168 -19.688 1.00 0.00 C ATOM 756 O SER A 63 9.847 -22.080 -19.602 1.00 0.00 O ATOM 757 CB SER A 63 10.593 -19.685 -20.974 1.00 0.00 C ATOM 758 OG SER A 63 11.840 -20.144 -20.460 1.00 0.00 O ATOM 0 H SER A 63 10.869 -18.728 -18.699 1.00 0.00 H new ATOM 0 HA SER A 63 8.647 -19.138 -20.285 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.304 -20.300 -21.826 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.705 -18.665 -21.341 1.00 0.00 H new ATOM 0 HG SER A 63 11.704 -20.984 -19.974 1.00 0.00 H new ATOM 764 N CYS A 64 7.714 -21.328 -19.597 1.00 0.00 N ATOM 765 CA CYS A 64 7.134 -22.642 -19.379 1.00 0.00 C ATOM 766 C CYS A 64 5.853 -22.746 -20.210 1.00 0.00 C ATOM 767 O CYS A 64 5.525 -21.833 -20.967 1.00 0.00 O ATOM 768 CB CYS A 64 6.874 -22.907 -17.895 1.00 0.00 C ATOM 769 SG CYS A 64 7.161 -24.674 -17.515 1.00 0.00 S ATOM 0 H CYS A 64 7.036 -20.569 -19.670 1.00 0.00 H new ATOM 0 HA CYS A 64 7.838 -23.410 -19.700 1.00 0.00 H new ATOM 0 HB2 CYS A 64 7.529 -22.284 -17.286 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.849 -22.634 -17.642 1.00 0.00 H new ATOM 0 HG CYS A 64 6.940 -24.888 -16.252 1.00 0.00 H new ATOM 775 N ASN A 65 5.164 -23.865 -20.041 1.00 0.00 N ATOM 776 CA ASN A 65 3.927 -24.099 -20.765 1.00 0.00 C ATOM 777 C ASN A 65 2.941 -22.969 -20.462 1.00 0.00 C ATOM 778 O ASN A 65 3.300 -21.984 -19.820 1.00 0.00 O ATOM 779 CB ASN A 65 3.280 -25.418 -20.338 1.00 0.00 C ATOM 780 CG ASN A 65 4.263 -26.582 -20.480 1.00 0.00 C ATOM 781 OD1 ASN A 65 4.997 -26.924 -19.566 1.00 0.00 O ATOM 782 ND2 ASN A 65 4.238 -27.170 -21.672 1.00 0.00 N ATOM 0 H ASN A 65 5.440 -24.620 -19.413 1.00 0.00 H new ATOM 0 HA ASN A 65 4.162 -24.140 -21.829 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.945 -25.345 -19.303 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.396 -25.607 -20.947 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.857 -27.957 -21.866 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.599 -26.834 -22.393 1.00 0.00 H new ATOM 789 N LEU A 66 1.718 -23.150 -20.938 1.00 0.00 N ATOM 790 CA LEU A 66 0.678 -22.158 -20.726 1.00 0.00 C ATOM 791 C LEU A 66 0.656 -21.757 -19.250 1.00 0.00 C ATOM 792 O LEU A 66 0.212 -20.662 -18.907 1.00 0.00 O ATOM 793 CB LEU A 66 -0.666 -22.672 -21.244 1.00 0.00 C ATOM 794 CG LEU A 66 -1.718 -21.605 -21.553 1.00 0.00 C ATOM 795 CD1 LEU A 66 -2.771 -22.138 -22.527 1.00 0.00 C ATOM 796 CD2 LEU A 66 -2.348 -21.067 -20.267 1.00 0.00 C ATOM 0 H LEU A 66 1.424 -23.969 -21.470 1.00 0.00 H new ATOM 0 HA LEU A 66 0.890 -21.255 -21.299 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.486 -23.250 -22.150 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.079 -23.358 -20.505 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.221 -20.768 -22.043 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.507 -21.359 -22.729 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.289 -22.433 -23.459 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.269 -23.002 -22.087 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.092 -20.310 -20.515 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.827 -21.884 -19.727 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.574 -20.623 -19.641 1.00 0.00 H new ATOM 808 N PHE A 67 1.139 -22.665 -18.415 1.00 0.00 N ATOM 809 CA PHE A 67 1.180 -22.420 -16.984 1.00 0.00 C ATOM 810 C PHE A 67 1.537 -20.962 -16.687 1.00 0.00 C ATOM 811 O PHE A 67 0.732 -20.225 -16.120 1.00 0.00 O ATOM 812 CB PHE A 67 2.268 -23.327 -16.405 1.00 0.00 C ATOM 813 CG PHE A 67 2.228 -23.453 -14.881 1.00 0.00 C ATOM 814 CD1 PHE A 67 2.521 -22.378 -14.102 1.00 0.00 C ATOM 815 CD2 PHE A 67 1.898 -24.641 -14.306 1.00 0.00 C ATOM 816 CE1 PHE A 67 2.483 -22.495 -12.687 1.00 0.00 C ATOM 817 CE2 PHE A 67 1.860 -24.758 -12.891 1.00 0.00 C ATOM 818 CZ PHE A 67 2.154 -23.683 -12.112 1.00 0.00 C ATOM 0 H PHE A 67 1.506 -23.572 -18.703 1.00 0.00 H new ATOM 0 HA PHE A 67 0.204 -22.624 -16.544 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.170 -24.320 -16.844 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.244 -22.942 -16.702 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.783 -21.435 -14.559 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.665 -25.495 -14.925 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.715 -21.641 -12.068 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.598 -25.701 -12.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.126 -23.772 -11.036 1.00 0.00 H new ATOM 828 N ASN A 68 2.745 -20.589 -17.085 1.00 0.00 N ATOM 829 CA ASN A 68 3.218 -19.232 -16.869 1.00 0.00 C ATOM 830 C ASN A 68 2.910 -18.386 -18.106 1.00 0.00 C ATOM 831 O ASN A 68 3.300 -18.740 -19.217 1.00 0.00 O ATOM 832 CB ASN A 68 4.731 -19.206 -16.643 1.00 0.00 C ATOM 833 CG ASN A 68 5.072 -19.483 -15.178 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.291 -18.583 -14.384 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.104 -20.775 -14.865 1.00 0.00 N ATOM 0 H ASN A 68 3.410 -21.203 -17.556 1.00 0.00 H new ATOM 0 HA ASN A 68 2.715 -18.836 -15.987 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.210 -19.951 -17.279 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.129 -18.234 -16.935 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.322 -21.063 -13.911 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.911 -21.478 -15.579 1.00 0.00 H new ATOM 842 N THR A 69 2.212 -17.284 -17.871 1.00 0.00 N ATOM 843 CA THR A 69 1.847 -16.385 -18.952 1.00 0.00 C ATOM 844 C THR A 69 2.526 -15.026 -18.768 1.00 0.00 C ATOM 845 O THR A 69 2.307 -14.350 -17.764 1.00 0.00 O ATOM 846 CB THR A 69 0.320 -16.300 -19.001 1.00 0.00 C ATOM 847 OG1 THR A 69 -0.112 -17.609 -18.639 1.00 0.00 O ATOM 848 CG2 THR A 69 -0.210 -16.113 -20.424 1.00 0.00 C ATOM 0 H THR A 69 1.890 -16.994 -16.948 1.00 0.00 H new ATOM 0 HA THR A 69 2.197 -16.760 -19.914 1.00 0.00 H new ATOM 0 HB THR A 69 -0.018 -15.473 -18.376 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.091 -17.643 -18.644 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.298 -16.059 -20.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.191 -15.190 -20.843 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.099 -16.957 -21.041 1.00 0.00 H new ATOM 856 N LEU A 70 3.335 -14.667 -19.753 1.00 0.00 N ATOM 857 CA LEU A 70 4.047 -13.401 -19.712 1.00 0.00 C ATOM 858 C LEU A 70 3.065 -12.259 -19.979 1.00 0.00 C ATOM 859 O LEU A 70 3.342 -11.107 -19.649 1.00 0.00 O ATOM 860 CB LEU A 70 5.238 -13.424 -20.672 1.00 0.00 C ATOM 861 CG LEU A 70 6.438 -12.562 -20.274 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.080 -11.075 -20.309 1.00 0.00 C ATOM 863 CD2 LEU A 70 6.991 -12.987 -18.912 1.00 0.00 C ATOM 0 H LEU A 70 3.514 -15.230 -20.584 1.00 0.00 H new ATOM 0 HA LEU A 70 4.469 -13.234 -18.721 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.575 -14.455 -20.776 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.894 -13.101 -21.654 1.00 0.00 H new ATOM 0 HG LEU A 70 7.230 -12.720 -21.006 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.950 -10.484 -20.022 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.770 -10.799 -21.317 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.264 -10.881 -19.613 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.843 -12.358 -18.653 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.215 -12.877 -18.154 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.309 -14.029 -18.957 1.00 0.00 H new ATOM 875 N THR A 71 1.937 -12.619 -20.574 1.00 0.00 N ATOM 876 CA THR A 71 0.911 -11.639 -20.889 1.00 0.00 C ATOM 877 C THR A 71 0.574 -10.803 -19.653 1.00 0.00 C ATOM 878 O THR A 71 0.223 -9.630 -19.768 1.00 0.00 O ATOM 879 CB THR A 71 -0.294 -12.384 -21.466 1.00 0.00 C ATOM 880 OG1 THR A 71 -1.106 -11.353 -22.021 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.172 -13.007 -20.380 1.00 0.00 C ATOM 0 H THR A 71 1.711 -13.576 -20.846 1.00 0.00 H new ATOM 0 HA THR A 71 1.260 -10.928 -21.638 1.00 0.00 H new ATOM 0 HB THR A 71 0.052 -13.164 -22.144 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.910 -11.748 -22.419 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.013 -13.523 -20.844 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.584 -13.719 -19.800 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.546 -12.224 -19.721 1.00 0.00 H new ATOM 889 N GLU A 72 0.693 -11.441 -18.497 1.00 0.00 N ATOM 890 CA GLU A 72 0.405 -10.771 -17.240 1.00 0.00 C ATOM 891 C GLU A 72 1.299 -9.540 -17.077 1.00 0.00 C ATOM 892 O GLU A 72 0.811 -8.445 -16.804 1.00 0.00 O ATOM 893 CB GLU A 72 0.569 -11.729 -16.058 1.00 0.00 C ATOM 894 CG GLU A 72 0.351 -11.002 -14.730 1.00 0.00 C ATOM 895 CD GLU A 72 -1.140 -10.862 -14.419 1.00 0.00 C ATOM 896 OE1 GLU A 72 -1.703 -9.767 -14.562 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.718 -11.944 -14.018 1.00 0.00 O ATOM 0 H GLU A 72 0.985 -12.414 -18.405 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.634 -10.441 -17.256 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.143 -12.550 -16.149 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.566 -12.168 -16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.844 -11.550 -13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.811 -10.015 -14.772 1.00 0.00 H new ATOM 905 N ALA A 73 2.594 -9.762 -17.252 1.00 0.00 N ATOM 906 CA ALA A 73 3.561 -8.685 -17.128 1.00 0.00 C ATOM 907 C ALA A 73 3.302 -7.645 -18.220 1.00 0.00 C ATOM 908 O ALA A 73 3.181 -6.455 -17.932 1.00 0.00 O ATOM 909 CB ALA A 73 4.977 -9.260 -17.194 1.00 0.00 C ATOM 0 H ALA A 73 2.996 -10.672 -17.479 1.00 0.00 H new ATOM 0 HA ALA A 73 3.457 -8.185 -16.165 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.703 -8.452 -17.101 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.119 -9.971 -16.380 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.120 -9.767 -18.148 1.00 0.00 H new ATOM 915 N ARG A 74 3.225 -8.131 -19.450 1.00 0.00 N ATOM 916 CA ARG A 74 2.983 -7.258 -20.586 1.00 0.00 C ATOM 917 C ARG A 74 1.722 -6.423 -20.354 1.00 0.00 C ATOM 918 O ARG A 74 1.660 -5.262 -20.757 1.00 0.00 O ATOM 919 CB ARG A 74 2.822 -8.065 -21.876 1.00 0.00 C ATOM 920 CG ARG A 74 1.965 -7.308 -22.893 1.00 0.00 C ATOM 921 CD ARG A 74 1.987 -8.005 -24.255 1.00 0.00 C ATOM 922 NE ARG A 74 1.138 -9.216 -24.217 1.00 0.00 N ATOM 923 CZ ARG A 74 1.232 -10.227 -25.092 1.00 0.00 C ATOM 924 NH1 ARG A 74 2.139 -10.178 -26.077 1.00 0.00 N ATOM 925 NH2 ARG A 74 0.420 -11.287 -24.981 1.00 0.00 N ATOM 0 H ARG A 74 3.326 -9.118 -19.685 1.00 0.00 H new ATOM 0 HA ARG A 74 3.845 -6.599 -20.688 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.803 -8.272 -22.304 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.362 -9.027 -21.652 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.939 -7.241 -22.531 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.334 -6.287 -22.997 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.629 -7.324 -25.027 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.010 -8.276 -24.518 1.00 0.00 H new ATOM 0 HE ARG A 74 0.437 -9.286 -23.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.758 -9.371 -26.161 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.211 -10.947 -26.743 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.270 -11.325 -24.231 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.492 -12.056 -25.647 1.00 0.00 H new ATOM 939 N ASP A 75 0.749 -7.046 -19.706 1.00 0.00 N ATOM 940 CA ASP A 75 -0.507 -6.374 -19.417 1.00 0.00 C ATOM 941 C ASP A 75 -0.298 -5.386 -18.268 1.00 0.00 C ATOM 942 O ASP A 75 -0.981 -4.366 -18.190 1.00 0.00 O ATOM 943 CB ASP A 75 -1.581 -7.376 -18.989 1.00 0.00 C ATOM 944 CG ASP A 75 -3.000 -6.809 -18.912 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.375 -5.919 -19.690 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.744 -7.324 -17.993 1.00 0.00 O ATOM 0 H ASP A 75 0.805 -8.008 -19.373 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.832 -5.861 -20.322 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.577 -8.211 -19.689 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.313 -7.778 -18.012 1.00 0.00 H new ATOM 952 N ALA A 76 0.649 -5.722 -17.404 1.00 0.00 N ATOM 953 CA ALA A 76 0.956 -4.877 -16.263 1.00 0.00 C ATOM 954 C ALA A 76 1.469 -3.524 -16.760 1.00 0.00 C ATOM 955 O ALA A 76 0.967 -2.478 -16.351 1.00 0.00 O ATOM 956 CB ALA A 76 1.966 -5.587 -15.359 1.00 0.00 C ATOM 0 H ALA A 76 1.214 -6.569 -17.472 1.00 0.00 H new ATOM 0 HA ALA A 76 0.060 -4.693 -15.670 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.197 -4.953 -14.503 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.543 -6.529 -15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.879 -5.786 -15.920 1.00 0.00 H new ATOM 962 N ILE A 77 2.462 -3.588 -17.635 1.00 0.00 N ATOM 963 CA ILE A 77 3.048 -2.380 -18.191 1.00 0.00 C ATOM 964 C ILE A 77 2.111 -1.809 -19.258 1.00 0.00 C ATOM 965 O ILE A 77 1.986 -0.593 -19.392 1.00 0.00 O ATOM 966 CB ILE A 77 4.464 -2.657 -18.700 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.514 -3.961 -19.499 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.471 -2.650 -17.549 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.225 -5.061 -18.708 1.00 0.00 C ATOM 0 H ILE A 77 2.875 -4.457 -17.973 1.00 0.00 H new ATOM 0 HA ILE A 77 3.155 -1.618 -17.419 1.00 0.00 H new ATOM 0 HB ILE A 77 4.747 -1.853 -19.379 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.501 -4.281 -19.744 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.033 -3.794 -20.443 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.470 -2.849 -17.938 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.459 -1.675 -17.061 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.203 -3.420 -16.826 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.247 -5.977 -19.298 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.245 -4.748 -18.486 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.690 -5.243 -17.776 1.00 0.00 H new ATOM 981 N LYS A 78 1.478 -2.714 -19.990 1.00 0.00 N ATOM 982 CA LYS A 78 0.557 -2.316 -21.041 1.00 0.00 C ATOM 983 C LYS A 78 -0.645 -1.604 -20.417 1.00 0.00 C ATOM 984 O LYS A 78 -1.241 -0.725 -21.037 1.00 0.00 O ATOM 985 CB LYS A 78 0.178 -3.520 -21.905 1.00 0.00 C ATOM 986 CG LYS A 78 -0.839 -3.126 -22.979 1.00 0.00 C ATOM 987 CD LYS A 78 -0.176 -2.302 -24.085 1.00 0.00 C ATOM 988 CE LYS A 78 -1.037 -2.291 -25.350 1.00 0.00 C ATOM 989 NZ LYS A 78 -2.095 -1.260 -25.248 1.00 0.00 N ATOM 0 H LYS A 78 1.585 -3.722 -19.876 1.00 0.00 H new ATOM 0 HA LYS A 78 1.033 -1.605 -21.716 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.071 -3.929 -22.377 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.238 -4.307 -21.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.287 -4.023 -23.407 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.647 -2.551 -22.527 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.019 -1.281 -23.738 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.806 -2.716 -24.313 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.412 -2.094 -26.221 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.490 -3.272 -25.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.670 -1.266 -26.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.702 -1.465 -24.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.657 -0.324 -25.129 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.965 -2.011 -19.197 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.085 -1.423 -18.482 1.00 0.00 C ATOM 1005 C ASP A 79 -1.673 -0.055 -17.934 1.00 0.00 C ATOM 1006 O ASP A 79 -2.362 0.940 -18.157 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.505 -2.298 -17.300 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.541 -1.670 -16.366 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.194 -0.948 -15.420 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.769 -1.953 -16.645 1.00 0.00 O ATOM 0 H ASP A 79 -0.468 -2.741 -18.686 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.919 -1.333 -19.178 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.907 -3.235 -17.686 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.617 -2.547 -16.718 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.552 -0.049 -17.228 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.040 1.181 -16.647 1.00 0.00 C ATOM 1018 C ALA A 80 0.226 2.195 -17.761 1.00 0.00 C ATOM 1019 O ALA A 80 -0.151 3.360 -17.649 1.00 0.00 O ATOM 1020 CB ALA A 80 1.214 0.874 -15.826 1.00 0.00 C ATOM 0 H ALA A 80 0.016 -0.876 -17.045 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.773 1.620 -15.971 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.598 1.796 -15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.965 0.173 -15.030 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.973 0.434 -16.472 1.00 0.00 H new ATOM 1026 N TYR A 81 0.874 1.714 -18.812 1.00 0.00 N ATOM 1027 CA TYR A 81 1.196 2.564 -19.946 1.00 0.00 C ATOM 1028 C TYR A 81 -0.075 3.128 -20.586 1.00 0.00 C ATOM 1029 O TYR A 81 -0.174 4.332 -20.819 1.00 0.00 O ATOM 1030 CB TYR A 81 1.906 1.665 -20.960 1.00 0.00 C ATOM 1031 CG TYR A 81 3.379 1.407 -20.637 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.767 1.151 -19.338 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.321 1.430 -21.646 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.153 0.908 -19.034 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.708 1.187 -21.342 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.055 0.938 -20.051 1.00 0.00 C ATOM 1037 OH TYR A 81 7.365 0.709 -19.765 1.00 0.00 O ATOM 0 H TYR A 81 1.185 0.747 -18.902 1.00 0.00 H new ATOM 0 HA TYR A 81 1.812 3.406 -19.631 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.383 0.710 -21.012 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.835 2.122 -21.947 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.030 1.133 -18.548 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.018 1.630 -22.663 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.469 0.706 -18.021 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.455 1.202 -22.122 1.00 0.00 H new ATOM 0 HH TYR A 81 7.487 -0.232 -19.522 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.013 2.232 -20.852 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.273 2.626 -21.460 1.00 0.00 C ATOM 1049 C GLU A 82 -3.111 3.436 -20.469 1.00 0.00 C ATOM 1050 O GLU A 82 -3.963 4.226 -20.872 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.046 1.403 -21.959 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.450 1.795 -22.424 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.062 0.701 -23.302 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -6.103 0.131 -22.946 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -4.417 0.452 -24.391 1.00 0.00 O ATOM 0 H GLU A 82 -0.926 1.234 -20.658 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.056 3.256 -22.323 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.504 0.936 -22.781 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.116 0.663 -21.162 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.088 1.971 -21.558 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.404 2.731 -22.981 1.00 0.00 H new ATOM 1063 N SER A 83 -2.838 3.213 -19.191 1.00 0.00 N ATOM 1064 CA SER A 83 -3.556 3.914 -18.140 1.00 0.00 C ATOM 1065 C SER A 83 -3.160 5.392 -18.131 1.00 0.00 C ATOM 1066 O SER A 83 -4.022 6.268 -18.081 1.00 0.00 O ATOM 1067 CB SER A 83 -3.283 3.283 -16.773 1.00 0.00 C ATOM 1068 OG SER A 83 -4.179 2.212 -16.491 1.00 0.00 O ATOM 0 H SER A 83 -2.130 2.557 -18.860 1.00 0.00 H new ATOM 0 HA SER A 83 -4.624 3.832 -18.342 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.257 2.915 -16.742 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.373 4.044 -15.998 1.00 0.00 H new ATOM 0 HG SER A 83 -3.880 1.404 -16.958 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.857 5.623 -18.180 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.336 6.979 -18.179 1.00 0.00 C ATOM 1076 C TYR A 84 -1.069 7.466 -19.604 1.00 0.00 C ATOM 1077 O TYR A 84 -0.709 8.623 -19.812 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.012 6.922 -17.415 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.172 6.825 -15.897 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.296 5.590 -15.293 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.193 7.973 -15.131 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.447 5.499 -13.864 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.343 7.882 -13.702 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.463 6.650 -13.139 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.605 6.564 -11.789 1.00 0.00 O ATOM 0 H TYR A 84 -1.146 4.893 -18.221 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.052 7.664 -17.724 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.561 6.063 -17.765 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.571 7.812 -17.652 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.280 4.692 -15.892 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.097 8.939 -15.604 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.545 4.539 -13.379 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.360 8.772 -13.091 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.598 7.464 -11.401 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.257 6.557 -20.550 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.041 6.880 -21.951 1.00 0.00 C ATOM 1097 C CYS A 85 -1.796 8.171 -22.269 1.00 0.00 C ATOM 1098 O CYS A 85 -2.918 8.369 -21.804 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.464 5.730 -22.867 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.779 6.360 -24.556 1.00 0.00 S ATOM 0 H CYS A 85 -1.556 5.598 -20.374 1.00 0.00 H new ATOM 0 HA CYS A 85 0.023 7.030 -22.133 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.684 4.969 -22.893 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.362 5.253 -22.474 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.136 5.376 -25.327 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.152 9.017 -23.059 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.749 10.284 -23.445 1.00 0.00 C ATOM 1108 C GLY A 86 -1.150 11.440 -22.642 1.00 0.00 C ATOM 1109 O GLY A 86 -1.542 12.593 -22.818 1.00 0.00 O ATOM 0 H GLY A 86 -0.222 8.850 -23.443 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.590 10.455 -24.510 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.827 10.246 -23.286 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.209 11.092 -21.776 1.00 0.00 N ATOM 1114 CA ILE A 87 0.449 12.086 -20.945 1.00 0.00 C ATOM 1115 C ILE A 87 1.964 11.968 -21.119 1.00 0.00 C ATOM 1116 O ILE A 87 2.543 10.916 -20.852 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.015 11.962 -19.493 1.00 0.00 C ATOM 1118 CG1 ILE A 87 0.839 10.949 -18.729 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.506 11.625 -19.420 1.00 0.00 C ATOM 1120 CD1 ILE A 87 0.204 10.601 -17.381 1.00 0.00 C ATOM 0 H ILE A 87 0.113 10.135 -21.632 1.00 0.00 H new ATOM 0 HA ILE A 87 0.169 13.091 -21.260 1.00 0.00 H new ATOM 0 HB ILE A 87 0.121 12.929 -19.008 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.955 10.044 -19.325 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.837 11.356 -18.570 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.810 11.543 -18.376 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.081 12.414 -19.904 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.690 10.678 -19.927 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.832 9.879 -16.859 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.112 11.504 -16.778 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.784 10.171 -17.544 1.00 0.00 H new ATOM 1132 N ASP A 88 2.564 13.062 -21.566 1.00 0.00 N ATOM 1133 CA ASP A 88 4.001 13.094 -21.778 1.00 0.00 C ATOM 1134 C ASP A 88 4.647 14.000 -20.728 1.00 0.00 C ATOM 1135 O ASP A 88 5.868 14.144 -20.694 1.00 0.00 O ATOM 1136 CB ASP A 88 4.341 13.655 -23.161 1.00 0.00 C ATOM 1137 CG ASP A 88 3.733 15.024 -23.470 1.00 0.00 C ATOM 1138 OD1 ASP A 88 4.059 15.653 -24.488 1.00 0.00 O ATOM 1139 OD2 ASP A 88 2.879 15.450 -22.602 1.00 0.00 O ATOM 0 H ASP A 88 2.081 13.933 -21.787 1.00 0.00 H new ATOM 0 HA ASP A 88 4.376 12.074 -21.700 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.425 13.727 -23.251 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.005 12.946 -23.917 1.00 0.00 H new ATOM 1145 N ASP A 89 3.799 14.588 -19.897 1.00 0.00 N ATOM 1146 CA ASP A 89 4.272 15.476 -18.849 1.00 0.00 C ATOM 1147 C ASP A 89 3.246 15.511 -17.715 1.00 0.00 C ATOM 1148 O ASP A 89 2.055 15.705 -17.956 1.00 0.00 O ATOM 1149 CB ASP A 89 4.447 16.902 -19.373 1.00 0.00 C ATOM 1150 CG ASP A 89 5.793 17.185 -20.044 1.00 0.00 C ATOM 1151 OD1 ASP A 89 5.876 17.333 -21.272 1.00 0.00 O ATOM 1152 OD2 ASP A 89 6.799 17.251 -19.239 1.00 0.00 O ATOM 0 H ASP A 89 2.787 14.467 -19.928 1.00 0.00 H new ATOM 0 HA ASP A 89 5.233 15.101 -18.497 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.651 17.110 -20.088 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.319 17.596 -18.542 1.00 0.00 H new ATOM 1158 N CYS A 90 3.744 15.322 -16.502 1.00 0.00 N ATOM 1159 CA CYS A 90 2.886 15.330 -15.330 1.00 0.00 C ATOM 1160 C CYS A 90 2.099 16.642 -15.320 1.00 0.00 C ATOM 1161 O CYS A 90 2.674 17.716 -15.492 1.00 0.00 O ATOM 1162 CB CYS A 90 3.686 15.133 -14.041 1.00 0.00 C ATOM 1163 SG CYS A 90 5.146 16.237 -14.037 1.00 0.00 S ATOM 0 H CYS A 90 4.732 15.162 -16.306 1.00 0.00 H new ATOM 0 HA CYS A 90 2.191 14.492 -15.379 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.057 15.345 -13.177 1.00 0.00 H new ATOM 0 HB3 CYS A 90 4.005 14.094 -13.956 1.00 0.00 H new ATOM 1168 N PRO A 91 0.762 16.509 -15.111 1.00 0.00 N ATOM 1169 CA PRO A 91 -0.109 17.672 -15.075 1.00 0.00 C ATOM 1170 C PRO A 91 0.055 18.440 -13.762 1.00 0.00 C ATOM 1171 O PRO A 91 -0.285 19.619 -13.682 1.00 0.00 O ATOM 1172 CB PRO A 91 -1.511 17.119 -15.268 1.00 0.00 C ATOM 1173 CG PRO A 91 -1.424 15.637 -14.940 1.00 0.00 C ATOM 1174 CD PRO A 91 0.047 15.254 -14.903 1.00 0.00 C ATOM 0 HA PRO A 91 0.129 18.399 -15.851 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.223 17.623 -14.614 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.854 17.273 -16.291 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.897 15.430 -13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.953 15.048 -15.689 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.314 14.800 -13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.287 14.528 -15.680 1.00 0.00 H new ATOM 1182 N GLN A 92 0.577 17.741 -12.766 1.00 0.00 N ATOM 1183 CA GLN A 92 0.791 18.342 -11.460 1.00 0.00 C ATOM 1184 C GLN A 92 1.731 19.544 -11.577 1.00 0.00 C ATOM 1185 O GLN A 92 1.433 20.622 -11.067 1.00 0.00 O ATOM 1186 CB GLN A 92 1.335 17.315 -10.465 1.00 0.00 C ATOM 1187 CG GLN A 92 0.204 16.464 -9.883 1.00 0.00 C ATOM 1188 CD GLN A 92 -0.780 17.328 -9.092 1.00 0.00 C ATOM 1189 OE1 GLN A 92 -0.501 17.789 -7.997 1.00 0.00 O ATOM 1190 NE2 GLN A 92 -1.945 17.521 -9.704 1.00 0.00 N ATOM 0 H GLN A 92 0.859 16.763 -12.836 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.169 18.691 -11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.061 16.671 -10.962 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.861 17.827 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.322 15.952 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.621 15.694 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.114 17.107 -10.620 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.669 18.083 -9.257 1.00 0.00 H new ATOM 1199 N CYS A 93 2.849 19.317 -12.252 1.00 0.00 N ATOM 1200 CA CYS A 93 3.835 20.367 -12.442 1.00 0.00 C ATOM 1201 C CYS A 93 3.186 21.495 -13.247 1.00 0.00 C ATOM 1202 O CYS A 93 3.502 22.666 -13.047 1.00 0.00 O ATOM 1203 CB CYS A 93 5.101 19.838 -13.119 1.00 0.00 C ATOM 1204 SG CYS A 93 6.256 19.182 -11.861 1.00 0.00 S ATOM 0 H CYS A 93 3.093 18.421 -12.674 1.00 0.00 H new ATOM 0 HA CYS A 93 4.154 20.750 -11.473 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.842 19.054 -13.831 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.581 20.636 -13.685 1.00 0.00 H new ATOM 1209 N SER A 94 2.290 21.102 -14.140 1.00 0.00 N ATOM 1210 CA SER A 94 1.594 22.065 -14.976 1.00 0.00 C ATOM 1211 C SER A 94 0.417 22.670 -14.208 1.00 0.00 C ATOM 1212 O SER A 94 -0.144 23.683 -14.623 1.00 0.00 O ATOM 1213 CB SER A 94 1.104 21.417 -16.273 1.00 0.00 C ATOM 1214 OG SER A 94 0.965 22.368 -17.325 1.00 0.00 O ATOM 0 H SER A 94 2.030 20.129 -14.303 1.00 0.00 H new ATOM 0 HA SER A 94 2.294 22.858 -15.240 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.805 20.640 -16.577 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.145 20.930 -16.095 1.00 0.00 H new ATOM 0 HG SER A 94 0.652 21.915 -18.136 1.00 0.00 H new ATOM 1220 N LYS A 95 0.078 22.024 -13.103 1.00 0.00 N ATOM 1221 CA LYS A 95 -1.022 22.485 -12.273 1.00 0.00 C ATOM 1222 C LYS A 95 -0.462 23.210 -11.048 1.00 0.00 C ATOM 1223 O LYS A 95 -1.207 23.843 -10.302 1.00 0.00 O ATOM 1224 CB LYS A 95 -1.957 21.324 -11.927 1.00 0.00 C ATOM 1225 CG LYS A 95 -3.112 21.795 -11.042 1.00 0.00 C ATOM 1226 CD LYS A 95 -3.886 22.934 -11.711 1.00 0.00 C ATOM 1227 CE LYS A 95 -5.285 23.074 -11.108 1.00 0.00 C ATOM 1228 NZ LYS A 95 -5.199 23.398 -9.667 1.00 0.00 N ATOM 0 H LYS A 95 0.546 21.184 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.634 23.204 -12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.352 20.885 -12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.397 20.542 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.785 20.961 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.725 22.130 -10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.339 23.869 -11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.965 22.745 -12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.836 23.856 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.841 22.147 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.145 23.639 -9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.831 22.576 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.561 24.208 -9.531 1.00 0.00 H new ATOM 1242 N TYR A 96 0.847 23.093 -10.878 1.00 0.00 N ATOM 1243 CA TYR A 96 1.516 23.729 -9.756 1.00 0.00 C ATOM 1244 C TYR A 96 2.707 24.564 -10.229 1.00 0.00 C ATOM 1245 O TYR A 96 2.977 24.644 -11.427 1.00 0.00 O ATOM 1246 CB TYR A 96 2.026 22.591 -8.869 1.00 0.00 C ATOM 1247 CG TYR A 96 2.401 23.028 -7.451 1.00 0.00 C ATOM 1248 CD1 TYR A 96 1.432 23.520 -6.602 1.00 0.00 C ATOM 1249 CD2 TYR A 96 3.709 22.928 -7.022 1.00 0.00 C ATOM 1250 CE1 TYR A 96 1.785 23.931 -5.268 1.00 0.00 C ATOM 1251 CE2 TYR A 96 4.062 23.339 -5.688 1.00 0.00 C ATOM 1252 CZ TYR A 96 3.083 23.820 -4.877 1.00 0.00 C ATOM 1253 OH TYR A 96 3.416 24.208 -3.616 1.00 0.00 O ATOM 0 H TYR A 96 1.462 22.567 -11.499 1.00 0.00 H new ATOM 0 HA TYR A 96 0.833 24.395 -9.230 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.259 21.819 -8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.898 22.139 -9.341 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.408 23.597 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.467 22.542 -7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.036 24.319 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.082 23.267 -5.340 1.00 0.00 H new ATOM 0 HH TYR A 96 4.376 24.072 -3.475 1.00 0.00 H new ATOM 1263 N ILE A 97 3.388 25.166 -9.265 1.00 0.00 N ATOM 1264 CA ILE A 97 4.544 25.991 -9.568 1.00 0.00 C ATOM 1265 C ILE A 97 5.820 25.180 -9.336 1.00 0.00 C ATOM 1266 O ILE A 97 5.913 24.424 -8.370 1.00 0.00 O ATOM 1267 CB ILE A 97 4.493 27.298 -8.773 1.00 0.00 C ATOM 1268 CG1 ILE A 97 3.221 28.085 -9.092 1.00 0.00 C ATOM 1269 CG2 ILE A 97 5.756 28.130 -9.005 1.00 0.00 C ATOM 1270 CD1 ILE A 97 2.031 27.553 -8.289 1.00 0.00 C ATOM 0 H ILE A 97 3.161 25.098 -8.273 1.00 0.00 H new ATOM 0 HA ILE A 97 4.538 26.283 -10.618 1.00 0.00 H new ATOM 0 HB ILE A 97 4.460 27.051 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.375 29.140 -8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.005 28.017 -10.158 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.694 29.053 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.630 27.561 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.845 28.369 -10.065 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.139 28.130 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.864 26.505 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.241 27.645 -7.223 1.00 0.00 H new ATOM 1282 N ASP A 98 6.773 25.364 -10.239 1.00 0.00 N ATOM 1283 CA ASP A 98 8.039 24.658 -10.144 1.00 0.00 C ATOM 1284 C ASP A 98 9.066 25.553 -9.448 1.00 0.00 C ATOM 1285 O ASP A 98 9.612 26.470 -10.060 1.00 0.00 O ATOM 1286 CB ASP A 98 8.580 24.309 -11.532 1.00 0.00 C ATOM 1287 CG ASP A 98 10.003 23.746 -11.550 1.00 0.00 C ATOM 1288 OD1 ASP A 98 10.815 24.037 -10.659 1.00 0.00 O ATOM 1289 OD2 ASP A 98 10.269 22.967 -12.543 1.00 0.00 O ATOM 0 H ASP A 98 6.693 25.992 -11.039 1.00 0.00 H new ATOM 0 HA ASP A 98 7.872 23.740 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.912 23.582 -11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.552 25.205 -12.152 1.00 0.00 H new ATOM 1295 N ASP A 99 9.299 25.256 -8.178 1.00 0.00 N ATOM 1296 CA ASP A 99 10.250 26.023 -7.392 1.00 0.00 C ATOM 1297 C ASP A 99 11.593 26.065 -8.125 1.00 0.00 C ATOM 1298 O ASP A 99 12.450 26.890 -7.810 1.00 0.00 O ATOM 1299 CB ASP A 99 10.479 25.379 -6.023 1.00 0.00 C ATOM 1300 CG ASP A 99 9.338 25.568 -5.021 1.00 0.00 C ATOM 1301 OD1 ASP A 99 8.226 25.975 -5.389 1.00 0.00 O ATOM 1302 OD2 ASP A 99 9.631 25.274 -3.800 1.00 0.00 O ATOM 0 H ASP A 99 8.845 24.494 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 99 9.845 27.026 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.646 24.311 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.392 25.790 -5.593 1.00 0.00 H new TER 1308 ASP A 99 HETATM 1309 ZN ZN A 100 5.959 16.730 -11.748 1.00 0.00 ZN