USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 702 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 39 THR OG1 : rot 90:sc= 0.00492 USER MOD Set 1.2: A 43 THR OG1 : rot 140:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 90:sc= -1.06 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 34:sc= 0.18 USER MOD Single : A 60 THR OG1 : rot -97:sc= -1.71! USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.0546 (180deg=-0.655) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.186 F(o=-1.3,f=-0.19) USER MOD Single : A 67 ASN : amide:sc= 0.523 K(o=0.52,f=-3.9!) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= -0.144 (180deg=-0.72) USER MOD Single : A 71 LYS NZ :NH3+ -130:sc= -0.0732 (180deg=-0.578) USER MOD Single : A 74 HIS : no HE2:sc= -13.6! C(o=-14!,f=-21!) USER MOD Single : A 78 LYS NZ :NH3+ -149:sc= -0.122 (180deg=-0.778) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -1 F(o=-1.6,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= -0.438 USER MOD Single : A 95 ASN : amide:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 11:sc= 0.815 USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= -0.061 (180deg=-0.573) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0.0455 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.522 -9.578 -14.638 1.00 0.00 N ATOM 2 CA LEU A 17 2.429 -8.722 -13.834 1.00 0.00 C ATOM 3 C LEU A 17 3.847 -9.266 -13.914 1.00 0.00 C ATOM 4 O LEU A 17 4.435 -9.656 -12.924 1.00 0.00 O ATOM 5 CB LEU A 17 1.965 -8.716 -12.356 1.00 0.00 C ATOM 6 CG LEU A 17 2.368 -7.395 -11.666 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.485 -7.196 -10.437 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.839 -7.462 -11.226 1.00 0.00 C ATOM 0 HA LEU A 17 2.405 -7.706 -14.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.883 -8.842 -12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.408 -9.559 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 17 2.241 -6.565 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.759 -6.266 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.440 -7.150 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.625 -8.030 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.116 -6.527 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.972 -8.288 -10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.473 -7.619 -12.099 1.00 0.00 H new ATOM 22 N GLN A 18 4.372 -9.280 -15.097 1.00 0.00 N ATOM 23 CA GLN A 18 5.745 -9.790 -15.275 1.00 0.00 C ATOM 24 C GLN A 18 6.745 -8.764 -14.795 1.00 0.00 C ATOM 25 O GLN A 18 7.899 -9.067 -14.566 1.00 0.00 O ATOM 26 CB GLN A 18 5.975 -10.056 -16.767 1.00 0.00 C ATOM 27 CG GLN A 18 4.725 -10.720 -17.352 1.00 0.00 C ATOM 28 CD GLN A 18 5.042 -11.248 -18.752 1.00 0.00 C ATOM 29 OE1 GLN A 18 4.889 -10.553 -19.739 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.484 -12.467 -18.884 1.00 0.00 N ATOM 0 H GLN A 18 3.909 -8.960 -15.948 1.00 0.00 H new ATOM 0 HA GLN A 18 5.873 -10.706 -14.699 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.184 -9.122 -17.288 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.843 -10.700 -16.905 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.398 -11.536 -16.708 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.906 -10.003 -17.398 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.614 -13.054 -18.060 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.700 -12.834 -19.811 1.00 0.00 H new ATOM 39 N ASP A 19 6.282 -7.559 -14.654 1.00 0.00 N ATOM 40 CA ASP A 19 7.171 -6.489 -14.193 1.00 0.00 C ATOM 41 C ASP A 19 6.374 -5.254 -13.821 1.00 0.00 C ATOM 42 O ASP A 19 6.812 -4.439 -13.036 1.00 0.00 O ATOM 43 CB ASP A 19 8.105 -6.138 -15.339 1.00 0.00 C ATOM 44 CG ASP A 19 9.557 -6.257 -14.874 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.022 -5.288 -14.298 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.119 -7.310 -15.123 1.00 0.00 O ATOM 0 H ASP A 19 5.320 -7.277 -14.841 1.00 0.00 H new ATOM 0 HA ASP A 19 7.723 -6.825 -13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.927 -6.804 -16.183 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.906 -5.124 -15.686 1.00 0.00 H new ATOM 51 N ALA A 20 5.215 -5.139 -14.388 1.00 0.00 N ATOM 52 CA ALA A 20 4.368 -3.957 -14.078 1.00 0.00 C ATOM 53 C ALA A 20 5.171 -2.657 -14.252 1.00 0.00 C ATOM 54 O ALA A 20 6.266 -2.676 -14.779 1.00 0.00 O ATOM 55 CB ALA A 20 3.899 -4.071 -12.612 1.00 0.00 C ATOM 0 H ALA A 20 4.816 -5.805 -15.049 1.00 0.00 H new ATOM 0 HA ALA A 20 3.516 -3.932 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.275 -3.213 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.323 -4.988 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.767 -4.093 -11.953 1.00 0.00 H new ATOM 61 N GLU A 21 4.606 -1.555 -13.804 1.00 0.00 N ATOM 62 CA GLU A 21 5.307 -0.251 -13.928 1.00 0.00 C ATOM 63 C GLU A 21 5.293 0.476 -12.593 1.00 0.00 C ATOM 64 O GLU A 21 6.329 0.817 -12.055 1.00 0.00 O ATOM 65 CB GLU A 21 4.561 0.601 -14.965 1.00 0.00 C ATOM 66 CG GLU A 21 5.169 2.000 -14.987 1.00 0.00 C ATOM 67 CD GLU A 21 5.244 2.497 -16.431 1.00 0.00 C ATOM 68 OE1 GLU A 21 4.197 2.493 -17.060 1.00 0.00 O ATOM 69 OE2 GLU A 21 6.342 2.852 -16.825 1.00 0.00 O ATOM 0 H GLU A 21 3.689 -1.512 -13.359 1.00 0.00 H new ATOM 0 HA GLU A 21 6.340 -0.417 -14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.634 0.143 -15.951 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.501 0.655 -14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.565 2.681 -14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.165 1.983 -14.544 1.00 0.00 H new ATOM 76 N TRP A 22 4.113 0.707 -12.081 1.00 0.00 N ATOM 77 CA TRP A 22 4.008 1.410 -10.775 1.00 0.00 C ATOM 78 C TRP A 22 4.860 0.700 -9.751 1.00 0.00 C ATOM 79 O TRP A 22 5.446 1.308 -8.876 1.00 0.00 O ATOM 80 CB TRP A 22 2.549 1.373 -10.318 1.00 0.00 C ATOM 81 CG TRP A 22 1.671 0.946 -11.499 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.208 1.787 -12.395 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.319 -0.293 -11.781 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.546 1.005 -13.262 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.568 -0.337 -12.942 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.589 -1.468 -11.105 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.098 -1.543 -13.414 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.115 -2.663 -11.579 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.375 -2.702 -12.730 1.00 0.00 C ATOM 0 H TRP A 22 3.226 0.441 -12.508 1.00 0.00 H new ATOM 0 HA TRP A 22 4.348 2.440 -10.880 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.431 0.675 -9.489 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.242 2.354 -9.955 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.331 2.859 -12.427 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.068 1.371 -14.086 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.176 -1.444 -10.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.488 -1.577 -14.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.326 -3.577 -11.043 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.008 -3.647 -13.102 1.00 0.00 H new ATOM 100 N TYR A 23 4.905 -0.584 -9.889 1.00 0.00 N ATOM 101 CA TYR A 23 5.701 -1.407 -8.960 1.00 0.00 C ATOM 102 C TYR A 23 7.104 -1.553 -9.506 1.00 0.00 C ATOM 103 O TYR A 23 7.293 -1.880 -10.656 1.00 0.00 O ATOM 104 CB TYR A 23 5.029 -2.789 -8.862 1.00 0.00 C ATOM 105 CG TYR A 23 3.572 -2.675 -8.301 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.026 -1.462 -7.829 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.772 -3.798 -8.279 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.731 -1.415 -7.366 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.476 -3.734 -7.811 1.00 0.00 C ATOM 110 CZ TYR A 23 0.948 -2.545 -7.354 1.00 0.00 C ATOM 111 OH TYR A 23 -0.352 -2.485 -6.901 1.00 0.00 O ATOM 0 H TYR A 23 4.417 -1.106 -10.617 1.00 0.00 H new ATOM 0 HA TYR A 23 5.753 -0.944 -7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.006 -3.255 -9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.620 -3.438 -8.216 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.628 -0.565 -7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.165 -4.740 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.325 -0.480 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.867 -4.626 -7.802 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.950 -2.278 -7.649 1.00 0.00 H new ATOM 121 N TRP A 24 8.067 -1.315 -8.668 1.00 0.00 N ATOM 122 CA TRP A 24 9.467 -1.429 -9.123 1.00 0.00 C ATOM 123 C TRP A 24 9.972 -2.846 -8.956 1.00 0.00 C ATOM 124 O TRP A 24 10.243 -3.538 -9.916 1.00 0.00 O ATOM 125 CB TRP A 24 10.337 -0.501 -8.250 1.00 0.00 C ATOM 126 CG TRP A 24 9.898 0.984 -8.383 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.734 1.419 -8.892 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.611 1.992 -7.948 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.792 2.750 -8.722 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.955 3.193 -8.131 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.865 1.976 -7.369 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.547 4.368 -7.741 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.458 3.157 -6.977 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.799 4.354 -7.164 1.00 0.00 C ATOM 0 H TRP A 24 7.943 -1.048 -7.692 1.00 0.00 H new ATOM 0 HA TRP A 24 9.521 -1.153 -10.176 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.267 -0.810 -7.207 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.382 -0.600 -8.542 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.939 0.836 -9.334 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.040 3.378 -9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.381 1.038 -7.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.031 5.306 -7.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.438 3.145 -6.524 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.264 5.280 -6.859 1.00 0.00 H new ATOM 145 N GLY A 25 10.089 -3.244 -7.745 1.00 0.00 N ATOM 146 CA GLY A 25 10.576 -4.616 -7.461 1.00 0.00 C ATOM 147 C GLY A 25 10.711 -4.801 -5.964 1.00 0.00 C ATOM 148 O GLY A 25 11.649 -5.405 -5.485 1.00 0.00 O ATOM 0 H GLY A 25 9.869 -2.682 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.883 -5.352 -7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.538 -4.781 -7.947 1.00 0.00 H new ATOM 152 N ASP A 26 9.766 -4.266 -5.258 1.00 0.00 N ATOM 153 CA ASP A 26 9.797 -4.382 -3.786 1.00 0.00 C ATOM 154 C ASP A 26 10.997 -3.625 -3.226 1.00 0.00 C ATOM 155 O ASP A 26 12.130 -3.908 -3.570 1.00 0.00 O ATOM 156 CB ASP A 26 9.896 -5.887 -3.422 1.00 0.00 C ATOM 157 CG ASP A 26 11.314 -6.242 -2.963 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.668 -5.782 -1.891 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.962 -6.955 -3.712 1.00 0.00 O ATOM 0 H ASP A 26 8.971 -3.752 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 26 8.893 -3.951 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.183 -6.123 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.626 -6.494 -4.286 1.00 0.00 H new ATOM 164 N ILE A 27 10.729 -2.635 -2.403 1.00 0.00 N ATOM 165 CA ILE A 27 11.860 -1.856 -1.821 1.00 0.00 C ATOM 166 C ILE A 27 11.603 -1.524 -0.351 1.00 0.00 C ATOM 167 O ILE A 27 11.242 -2.388 0.424 1.00 0.00 O ATOM 168 CB ILE A 27 12.061 -0.547 -2.623 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.767 0.324 -2.636 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.497 -0.906 -4.071 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.849 -0.015 -3.827 1.00 0.00 C ATOM 0 H ILE A 27 9.795 -2.341 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 27 12.761 -2.467 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 27 12.838 0.046 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.221 0.174 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.041 1.378 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.641 0.009 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.431 -1.467 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.725 -1.513 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.961 0.617 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.384 0.160 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.551 -1.062 -3.771 1.00 0.00 H new ATOM 183 N SER A 28 11.793 -0.282 0.010 1.00 0.00 N ATOM 184 CA SER A 28 11.564 0.103 1.416 1.00 0.00 C ATOM 185 C SER A 28 11.304 1.596 1.531 1.00 0.00 C ATOM 186 O SER A 28 11.583 2.352 0.621 1.00 0.00 O ATOM 187 CB SER A 28 12.829 -0.241 2.219 1.00 0.00 C ATOM 188 OG SER A 28 13.858 0.495 1.575 1.00 0.00 O ATOM 0 H SER A 28 12.094 0.471 -0.609 1.00 0.00 H new ATOM 0 HA SER A 28 10.695 -0.433 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.728 0.047 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.034 -1.311 2.201 1.00 0.00 H new ATOM 0 HG SER A 28 14.710 0.333 2.030 1.00 0.00 H new ATOM 194 N ARG A 29 10.774 1.989 2.647 1.00 0.00 N ATOM 195 CA ARG A 29 10.483 3.423 2.857 1.00 0.00 C ATOM 196 C ARG A 29 11.640 4.278 2.394 1.00 0.00 C ATOM 197 O ARG A 29 11.468 5.423 2.041 1.00 0.00 O ATOM 198 CB ARG A 29 10.264 3.653 4.349 1.00 0.00 C ATOM 199 CG ARG A 29 9.975 2.311 5.025 1.00 0.00 C ATOM 200 CD ARG A 29 9.451 2.566 6.421 1.00 0.00 C ATOM 201 NE ARG A 29 9.983 1.520 7.337 1.00 0.00 N ATOM 202 CZ ARG A 29 11.094 1.741 7.982 1.00 0.00 C ATOM 203 NH1 ARG A 29 11.168 2.776 8.772 1.00 0.00 N ATOM 204 NH2 ARG A 29 12.096 0.923 7.811 1.00 0.00 N ATOM 0 H ARG A 29 10.529 1.376 3.425 1.00 0.00 H new ATOM 0 HA ARG A 29 9.597 3.697 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.146 4.115 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.432 4.340 4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.244 1.747 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.882 1.708 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.755 3.555 6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.361 2.549 6.423 1.00 0.00 H new ATOM 0 HE ARG A 29 9.483 0.639 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.365 3.396 8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.029 2.965 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.002 0.126 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.973 1.080 8.307 1.00 0.00 H new ATOM 218 N GLU A 30 12.799 3.707 2.397 1.00 0.00 N ATOM 219 CA GLU A 30 13.977 4.478 1.957 1.00 0.00 C ATOM 220 C GLU A 30 13.827 4.898 0.506 1.00 0.00 C ATOM 221 O GLU A 30 13.749 6.067 0.207 1.00 0.00 O ATOM 222 CB GLU A 30 15.223 3.594 2.095 1.00 0.00 C ATOM 223 CG GLU A 30 15.299 3.065 3.524 1.00 0.00 C ATOM 224 CD GLU A 30 16.729 2.605 3.819 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.344 2.116 2.885 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.126 2.768 4.962 1.00 0.00 O ATOM 0 H GLU A 30 12.982 2.745 2.683 1.00 0.00 H new ATOM 0 HA GLU A 30 14.070 5.372 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.177 2.765 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.119 4.167 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.003 3.843 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.604 2.236 3.654 1.00 0.00 H new ATOM 233 N GLU A 31 13.781 3.932 -0.374 1.00 0.00 N ATOM 234 CA GLU A 31 13.635 4.267 -1.809 1.00 0.00 C ATOM 235 C GLU A 31 12.296 4.931 -2.056 1.00 0.00 C ATOM 236 O GLU A 31 12.230 6.032 -2.569 1.00 0.00 O ATOM 237 CB GLU A 31 13.703 2.965 -2.616 1.00 0.00 C ATOM 238 CG GLU A 31 14.880 3.041 -3.577 1.00 0.00 C ATOM 239 CD GLU A 31 15.089 1.681 -4.247 1.00 0.00 C ATOM 240 OE1 GLU A 31 14.382 1.437 -5.211 1.00 0.00 O ATOM 241 OE2 GLU A 31 15.945 0.963 -3.757 1.00 0.00 O ATOM 0 H GLU A 31 13.838 2.937 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 31 14.430 4.950 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.817 2.112 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.775 2.815 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.696 3.805 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.782 3.335 -3.040 1.00 0.00 H new ATOM 248 N VAL A 32 11.253 4.238 -1.694 1.00 0.00 N ATOM 249 CA VAL A 32 9.885 4.799 -1.890 1.00 0.00 C ATOM 250 C VAL A 32 9.871 6.281 -1.521 1.00 0.00 C ATOM 251 O VAL A 32 9.694 7.135 -2.365 1.00 0.00 O ATOM 252 CB VAL A 32 8.925 4.045 -0.940 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.656 4.892 -0.725 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.557 2.666 -1.550 1.00 0.00 C ATOM 0 H VAL A 32 11.287 3.310 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 32 9.582 4.686 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 32 9.412 3.880 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.976 4.365 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.929 5.851 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.164 5.061 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.881 2.139 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.069 2.813 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.463 2.076 -1.689 1.00 0.00 H new ATOM 264 N ASN A 33 10.065 6.550 -0.260 1.00 0.00 N ATOM 265 CA ASN A 33 10.070 7.962 0.201 1.00 0.00 C ATOM 266 C ASN A 33 11.029 8.823 -0.621 1.00 0.00 C ATOM 267 O ASN A 33 10.612 9.729 -1.318 1.00 0.00 O ATOM 268 CB ASN A 33 10.544 7.978 1.660 1.00 0.00 C ATOM 269 CG ASN A 33 10.277 9.357 2.264 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.231 9.941 2.065 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.196 9.912 3.003 1.00 0.00 N ATOM 0 H ASN A 33 10.220 5.853 0.468 1.00 0.00 H new ATOM 0 HA ASN A 33 9.065 8.368 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.022 7.211 2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.608 7.746 1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.035 10.833 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.076 9.426 3.173 1.00 0.00 H new ATOM 278 N GLU A 34 12.300 8.520 -0.511 1.00 0.00 N ATOM 279 CA GLU A 34 13.332 9.298 -1.268 1.00 0.00 C ATOM 280 C GLU A 34 12.846 9.742 -2.636 1.00 0.00 C ATOM 281 O GLU A 34 13.285 10.755 -3.143 1.00 0.00 O ATOM 282 CB GLU A 34 14.572 8.414 -1.461 1.00 0.00 C ATOM 283 CG GLU A 34 15.449 8.499 -0.210 1.00 0.00 C ATOM 284 CD GLU A 34 16.582 7.477 -0.315 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.516 7.775 -1.042 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.450 6.455 0.337 1.00 0.00 O ATOM 0 H GLU A 34 12.668 7.767 0.071 1.00 0.00 H new ATOM 0 HA GLU A 34 13.556 10.193 -0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.273 7.381 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.134 8.740 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.859 9.504 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.851 8.306 0.681 1.00 0.00 H new ATOM 293 N LYS A 35 11.954 8.990 -3.211 1.00 0.00 N ATOM 294 CA LYS A 35 11.445 9.379 -4.551 1.00 0.00 C ATOM 295 C LYS A 35 10.134 10.119 -4.442 1.00 0.00 C ATOM 296 O LYS A 35 9.854 11.021 -5.208 1.00 0.00 O ATOM 297 CB LYS A 35 11.222 8.120 -5.371 1.00 0.00 C ATOM 298 CG LYS A 35 11.712 8.369 -6.796 1.00 0.00 C ATOM 299 CD LYS A 35 10.905 9.519 -7.421 1.00 0.00 C ATOM 300 CE LYS A 35 10.969 9.402 -8.944 1.00 0.00 C ATOM 301 NZ LYS A 35 10.428 10.630 -9.590 1.00 0.00 N ATOM 0 H LYS A 35 11.560 8.135 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 35 12.178 10.033 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.759 7.281 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.165 7.855 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.773 8.617 -6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.600 7.465 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.869 9.479 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.308 10.480 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.001 9.244 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.399 8.532 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.480 10.530 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.437 10.764 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.988 11.454 -9.293 1.00 0.00 H new ATOM 315 N LEU A 36 9.357 9.727 -3.497 1.00 0.00 N ATOM 316 CA LEU A 36 8.047 10.387 -3.306 1.00 0.00 C ATOM 317 C LEU A 36 8.195 11.733 -2.609 1.00 0.00 C ATOM 318 O LEU A 36 7.214 12.374 -2.284 1.00 0.00 O ATOM 319 CB LEU A 36 7.175 9.471 -2.438 1.00 0.00 C ATOM 320 CG LEU A 36 6.204 8.704 -3.340 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.996 7.818 -4.308 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.296 7.817 -2.480 1.00 0.00 C ATOM 0 H LEU A 36 9.567 8.975 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 36 7.595 10.561 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.800 8.774 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.623 10.060 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 36 5.598 9.415 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.305 7.272 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.646 8.441 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.601 7.110 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.605 7.272 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.905 7.109 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.731 8.439 -1.786 1.00 0.00 H new ATOM 334 N ARG A 37 9.411 12.145 -2.388 1.00 0.00 N ATOM 335 CA ARG A 37 9.616 13.451 -1.712 1.00 0.00 C ATOM 336 C ARG A 37 9.661 14.588 -2.727 1.00 0.00 C ATOM 337 O ARG A 37 9.616 15.747 -2.364 1.00 0.00 O ATOM 338 CB ARG A 37 10.948 13.402 -0.933 1.00 0.00 C ATOM 339 CG ARG A 37 12.128 13.426 -1.914 1.00 0.00 C ATOM 340 CD ARG A 37 12.720 14.838 -1.959 1.00 0.00 C ATOM 341 NE ARG A 37 13.581 15.042 -0.761 1.00 0.00 N ATOM 342 CZ ARG A 37 13.814 16.254 -0.339 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.439 17.085 -1.126 1.00 0.00 N ATOM 344 NH2 ARG A 37 13.415 16.594 0.858 1.00 0.00 N ATOM 0 H ARG A 37 10.260 11.641 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 37 8.784 13.634 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.013 14.251 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.989 12.500 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.889 12.710 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.796 13.127 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.304 14.972 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.922 15.580 -1.980 1.00 0.00 H new ATOM 0 HE ARG A 37 13.985 14.241 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.736 16.783 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.630 18.037 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.930 15.916 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.589 17.537 1.205 1.00 0.00 H new ATOM 358 N ASP A 38 9.745 14.228 -3.985 1.00 0.00 N ATOM 359 CA ASP A 38 9.794 15.265 -5.057 1.00 0.00 C ATOM 360 C ASP A 38 8.755 14.977 -6.133 1.00 0.00 C ATOM 361 O ASP A 38 9.000 15.186 -7.305 1.00 0.00 O ATOM 362 CB ASP A 38 11.191 15.233 -5.699 1.00 0.00 C ATOM 363 CG ASP A 38 11.605 16.656 -6.083 1.00 0.00 C ATOM 364 OD1 ASP A 38 10.922 17.207 -6.931 1.00 0.00 O ATOM 365 OD2 ASP A 38 12.580 17.110 -5.508 1.00 0.00 O ATOM 0 H ASP A 38 9.782 13.263 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 38 9.585 16.241 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.914 14.807 -5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.183 14.594 -6.582 1.00 0.00 H new ATOM 370 N THR A 39 7.609 14.500 -5.705 1.00 0.00 N ATOM 371 CA THR A 39 6.522 14.183 -6.675 1.00 0.00 C ATOM 372 C THR A 39 5.280 15.017 -6.381 1.00 0.00 C ATOM 373 O THR A 39 5.274 15.824 -5.472 1.00 0.00 O ATOM 374 CB THR A 39 6.165 12.702 -6.526 1.00 0.00 C ATOM 375 OG1 THR A 39 6.136 12.463 -5.133 1.00 0.00 O ATOM 376 CG2 THR A 39 7.303 11.814 -7.045 1.00 0.00 C ATOM 0 H THR A 39 7.384 14.318 -4.727 1.00 0.00 H new ATOM 0 HA THR A 39 6.864 14.406 -7.685 1.00 0.00 H new ATOM 0 HB THR A 39 5.239 12.489 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.232 12.627 -4.792 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.028 10.766 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.480 12.029 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.210 12.016 -6.476 1.00 0.00 H new ATOM 384 N ALA A 40 4.249 14.809 -7.155 1.00 0.00 N ATOM 385 CA ALA A 40 3.002 15.583 -6.931 1.00 0.00 C ATOM 386 C ALA A 40 2.343 15.189 -5.614 1.00 0.00 C ATOM 387 O ALA A 40 2.973 14.610 -4.752 1.00 0.00 O ATOM 388 CB ALA A 40 2.028 15.279 -8.080 1.00 0.00 C ATOM 0 H ALA A 40 4.219 14.142 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 40 3.248 16.644 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.105 15.839 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.481 15.570 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.806 14.212 -8.096 1.00 0.00 H new ATOM 394 N ASP A 41 1.078 15.512 -5.488 1.00 0.00 N ATOM 395 CA ASP A 41 0.346 15.172 -4.236 1.00 0.00 C ATOM 396 C ASP A 41 -0.567 13.969 -4.448 1.00 0.00 C ATOM 397 O ASP A 41 -1.756 14.040 -4.204 1.00 0.00 O ATOM 398 CB ASP A 41 -0.518 16.384 -3.844 1.00 0.00 C ATOM 399 CG ASP A 41 -0.940 16.256 -2.377 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.388 15.174 -2.035 1.00 0.00 O ATOM 401 OD2 ASP A 41 -0.793 17.250 -1.684 1.00 0.00 O ATOM 0 H ASP A 41 0.526 15.994 -6.197 1.00 0.00 H new ATOM 0 HA ASP A 41 1.066 14.928 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.042 17.307 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.399 16.439 -4.484 1.00 0.00 H new ATOM 406 N GLY A 42 0.002 12.881 -4.896 1.00 0.00 N ATOM 407 CA GLY A 42 -0.830 11.663 -5.126 1.00 0.00 C ATOM 408 C GLY A 42 -0.062 10.626 -5.955 1.00 0.00 C ATOM 409 O GLY A 42 -0.459 10.296 -7.053 1.00 0.00 O ATOM 0 H GLY A 42 0.994 12.783 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.119 11.228 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.750 11.938 -5.642 1.00 0.00 H new ATOM 413 N THR A 43 1.019 10.131 -5.407 1.00 0.00 N ATOM 414 CA THR A 43 1.825 9.113 -6.153 1.00 0.00 C ATOM 415 C THR A 43 1.552 7.715 -5.611 1.00 0.00 C ATOM 416 O THR A 43 0.891 7.568 -4.613 1.00 0.00 O ATOM 417 CB THR A 43 3.297 9.429 -5.932 1.00 0.00 C ATOM 418 OG1 THR A 43 3.371 10.837 -5.862 1.00 0.00 O ATOM 419 CG2 THR A 43 4.128 9.058 -7.163 1.00 0.00 C ATOM 0 H THR A 43 1.377 10.383 -4.486 1.00 0.00 H new ATOM 0 HA THR A 43 1.561 9.145 -7.210 1.00 0.00 H new ATOM 0 HB THR A 43 3.660 8.895 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.004 11.097 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.176 9.294 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.026 7.991 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.775 9.624 -8.025 1.00 0.00 H new ATOM 427 N PHE A 44 2.064 6.698 -6.272 1.00 0.00 N ATOM 428 CA PHE A 44 1.804 5.327 -5.751 1.00 0.00 C ATOM 429 C PHE A 44 2.719 4.263 -6.347 1.00 0.00 C ATOM 430 O PHE A 44 2.922 4.192 -7.542 1.00 0.00 O ATOM 431 CB PHE A 44 0.344 4.957 -6.054 1.00 0.00 C ATOM 432 CG PHE A 44 0.125 4.848 -7.567 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.110 5.982 -8.363 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.120 3.617 -8.155 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.154 5.880 -9.716 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.382 3.524 -9.503 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.398 4.651 -10.280 1.00 0.00 C ATOM 0 H PHE A 44 2.630 6.759 -7.119 1.00 0.00 H new ATOM 0 HA PHE A 44 2.005 5.348 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.095 4.010 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.323 5.711 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.305 6.949 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.105 2.723 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.169 6.768 -10.331 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.575 2.560 -9.949 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.603 4.574 -11.338 1.00 0.00 H new ATOM 447 N LEU A 45 3.249 3.448 -5.465 1.00 0.00 N ATOM 448 CA LEU A 45 4.157 2.356 -5.884 1.00 0.00 C ATOM 449 C LEU A 45 4.013 1.185 -4.891 1.00 0.00 C ATOM 450 O LEU A 45 3.140 1.218 -4.041 1.00 0.00 O ATOM 451 CB LEU A 45 5.616 2.872 -5.895 1.00 0.00 C ATOM 452 CG LEU A 45 5.831 3.895 -4.771 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.435 3.292 -3.426 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.308 4.255 -4.715 1.00 0.00 C ATOM 0 H LEU A 45 3.082 3.502 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 45 3.899 2.016 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.305 2.036 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.839 3.329 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 45 5.221 4.776 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.592 4.028 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.384 3.006 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.046 2.411 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.475 4.982 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.894 3.358 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.614 4.684 -5.669 1.00 0.00 H new ATOM 466 N VAL A 46 4.859 0.176 -5.002 1.00 0.00 N ATOM 467 CA VAL A 46 4.744 -0.988 -4.047 1.00 0.00 C ATOM 468 C VAL A 46 5.819 -0.933 -2.964 1.00 0.00 C ATOM 469 O VAL A 46 6.873 -0.372 -3.153 1.00 0.00 O ATOM 470 CB VAL A 46 4.876 -2.324 -4.868 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.853 -3.311 -4.187 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.499 -3.003 -4.955 1.00 0.00 C ATOM 0 H VAL A 46 5.606 0.107 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 46 3.776 -0.941 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 46 5.256 -2.072 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.921 -4.223 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.839 -2.853 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.488 -3.553 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.585 -3.929 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.139 -3.226 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.795 -2.336 -5.453 1.00 0.00 H new ATOM 482 N ARG A 47 5.508 -1.528 -1.842 1.00 0.00 N ATOM 483 CA ARG A 47 6.457 -1.553 -0.707 1.00 0.00 C ATOM 484 C ARG A 47 6.529 -2.970 -0.145 1.00 0.00 C ATOM 485 O ARG A 47 5.556 -3.480 0.372 1.00 0.00 O ATOM 486 CB ARG A 47 5.931 -0.600 0.383 1.00 0.00 C ATOM 487 CG ARG A 47 7.108 -0.073 1.228 1.00 0.00 C ATOM 488 CD ARG A 47 7.719 -1.218 2.046 1.00 0.00 C ATOM 489 NE ARG A 47 8.188 -0.679 3.355 1.00 0.00 N ATOM 490 CZ ARG A 47 7.740 -1.203 4.466 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.355 -2.240 4.968 1.00 0.00 N ATOM 492 NH2 ARG A 47 6.693 -0.673 5.038 1.00 0.00 N ATOM 0 H ARG A 47 4.622 -2.003 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 47 7.449 -1.242 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.399 0.233 -0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.218 -1.121 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.865 0.366 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.763 0.718 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.981 -2.004 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.551 -1.667 1.503 1.00 0.00 H new ATOM 0 HE ARG A 47 8.854 0.093 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.171 -2.628 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.020 -2.662 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.238 0.137 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.330 -1.069 5.905 1.00 0.00 H new ATOM 506 N ASP A 48 7.676 -3.581 -0.267 1.00 0.00 N ATOM 507 CA ASP A 48 7.833 -4.969 0.253 1.00 0.00 C ATOM 508 C ASP A 48 7.131 -5.157 1.591 1.00 0.00 C ATOM 509 O ASP A 48 7.181 -4.303 2.450 1.00 0.00 O ATOM 510 CB ASP A 48 9.326 -5.247 0.442 1.00 0.00 C ATOM 511 CG ASP A 48 9.501 -6.541 1.237 1.00 0.00 C ATOM 512 OD1 ASP A 48 8.874 -7.510 0.839 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.249 -6.489 2.198 1.00 0.00 O ATOM 0 H ASP A 48 8.507 -3.181 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 48 7.384 -5.656 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.817 -5.333 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.799 -4.417 0.967 1.00 0.00 H new ATOM 518 N ALA A 49 6.492 -6.285 1.739 1.00 0.00 N ATOM 519 CA ALA A 49 5.777 -6.558 3.010 1.00 0.00 C ATOM 520 C ALA A 49 6.703 -7.221 4.023 1.00 0.00 C ATOM 521 O ALA A 49 6.947 -6.689 5.089 1.00 0.00 O ATOM 522 CB ALA A 49 4.622 -7.522 2.709 1.00 0.00 C ATOM 0 H ALA A 49 6.436 -7.023 1.037 1.00 0.00 H new ATOM 0 HA ALA A 49 5.417 -5.617 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.080 -7.739 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.945 -7.064 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.020 -8.449 2.296 1.00 0.00 H new ATOM 616 N ASP A 56 3.567 -10.530 1.341 1.00 0.00 N ATOM 617 CA ASP A 56 3.626 -10.095 -0.060 1.00 0.00 C ATOM 618 C ASP A 56 4.172 -8.668 -0.149 1.00 0.00 C ATOM 619 O ASP A 56 5.359 -8.456 -0.008 1.00 0.00 O ATOM 620 CB ASP A 56 2.198 -10.138 -0.599 1.00 0.00 C ATOM 621 CG ASP A 56 1.245 -9.722 0.517 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.197 -8.529 0.771 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.616 -10.617 1.056 1.00 0.00 O ATOM 0 HA ASP A 56 4.285 -10.743 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.096 -9.469 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.956 -11.141 -0.949 1.00 0.00 H new ATOM 628 N TYR A 57 3.295 -7.714 -0.389 1.00 0.00 N ATOM 629 CA TYR A 57 3.749 -6.307 -0.489 1.00 0.00 C ATOM 630 C TYR A 57 2.833 -5.368 0.289 1.00 0.00 C ATOM 631 O TYR A 57 1.987 -5.797 1.047 1.00 0.00 O ATOM 632 CB TYR A 57 3.718 -5.913 -1.961 1.00 0.00 C ATOM 633 CG TYR A 57 4.545 -6.921 -2.756 1.00 0.00 C ATOM 634 CD1 TYR A 57 5.902 -6.749 -2.908 1.00 0.00 C ATOM 635 CD2 TYR A 57 3.951 -8.041 -3.287 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.653 -7.689 -3.574 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.702 -8.982 -3.955 1.00 0.00 C ATOM 638 CZ TYR A 57 6.062 -8.811 -4.104 1.00 0.00 C ATOM 639 OH TYR A 57 6.820 -9.747 -4.777 1.00 0.00 O ATOM 0 H TYR A 57 2.294 -7.860 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 57 4.752 -6.226 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.691 -5.896 -2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.120 -4.908 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.380 -5.870 -2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.886 -8.184 -3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.718 -7.544 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.223 -9.859 -4.365 1.00 0.00 H new ATOM 0 HH TYR A 57 6.242 -10.476 -5.084 1.00 0.00 H new ATOM 649 N THR A 58 3.028 -4.100 0.078 1.00 0.00 N ATOM 650 CA THR A 58 2.205 -3.089 0.772 1.00 0.00 C ATOM 651 C THR A 58 2.073 -1.855 -0.103 1.00 0.00 C ATOM 652 O THR A 58 3.049 -1.187 -0.385 1.00 0.00 O ATOM 653 CB THR A 58 2.914 -2.707 2.065 1.00 0.00 C ATOM 654 OG1 THR A 58 2.323 -3.511 3.065 1.00 0.00 O ATOM 655 CG2 THR A 58 2.577 -1.269 2.478 1.00 0.00 C ATOM 0 H THR A 58 3.733 -3.721 -0.555 1.00 0.00 H new ATOM 0 HA THR A 58 1.213 -3.490 0.981 1.00 0.00 H new ATOM 0 HB THR A 58 3.991 -2.822 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.085 -4.383 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.097 -1.025 3.404 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.892 -0.582 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.502 -1.177 2.631 1.00 0.00 H new ATOM 663 N LEU A 59 0.877 -1.569 -0.528 1.00 0.00 N ATOM 664 CA LEU A 59 0.692 -0.379 -1.386 1.00 0.00 C ATOM 665 C LEU A 59 0.870 0.896 -0.587 1.00 0.00 C ATOM 666 O LEU A 59 0.320 1.042 0.488 1.00 0.00 O ATOM 667 CB LEU A 59 -0.732 -0.403 -1.979 1.00 0.00 C ATOM 668 CG LEU A 59 -0.662 -0.819 -3.457 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.236 -2.287 -3.545 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.043 -0.663 -4.101 1.00 0.00 C ATOM 0 H LEU A 59 0.032 -2.102 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 59 1.439 -0.402 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.358 -1.101 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.192 0.581 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 59 0.058 -0.188 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.184 -2.589 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.744 -2.410 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.964 -2.909 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.991 -0.958 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.761 -1.297 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.361 0.377 -4.033 1.00 0.00 H new ATOM 682 N THR A 60 1.644 1.799 -1.134 1.00 0.00 N ATOM 683 CA THR A 60 1.886 3.084 -0.432 1.00 0.00 C ATOM 684 C THR A 60 1.809 4.246 -1.410 1.00 0.00 C ATOM 685 O THR A 60 2.278 4.146 -2.527 1.00 0.00 O ATOM 686 CB THR A 60 3.289 3.039 0.190 1.00 0.00 C ATOM 687 OG1 THR A 60 3.074 2.830 1.570 1.00 0.00 O ATOM 688 CG2 THR A 60 3.996 4.416 0.118 1.00 0.00 C ATOM 0 H THR A 60 2.115 1.698 -2.033 1.00 0.00 H new ATOM 0 HA THR A 60 1.128 3.226 0.338 1.00 0.00 H new ATOM 0 HB THR A 60 3.886 2.286 -0.324 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.107 3.689 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.986 4.341 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.094 4.721 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.406 5.156 0.659 1.00 0.00 H new ATOM 696 N LEU A 61 1.213 5.329 -0.972 1.00 0.00 N ATOM 697 CA LEU A 61 1.096 6.514 -1.866 1.00 0.00 C ATOM 698 C LEU A 61 1.432 7.786 -1.140 1.00 0.00 C ATOM 699 O LEU A 61 1.402 7.849 0.067 1.00 0.00 O ATOM 700 CB LEU A 61 -0.348 6.635 -2.417 1.00 0.00 C ATOM 701 CG LEU A 61 -1.393 6.349 -1.325 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.066 7.666 -0.932 1.00 0.00 C ATOM 703 CD2 LEU A 61 -2.460 5.395 -1.872 1.00 0.00 C ATOM 0 H LEU A 61 0.807 5.440 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 61 1.802 6.369 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.503 7.637 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.483 5.937 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.906 5.897 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.810 7.478 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.315 8.359 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.553 8.100 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.200 5.193 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.950 5.852 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.990 4.460 -2.177 1.00 0.00 H new ATOM 715 N ARG A 62 1.748 8.784 -1.905 1.00 0.00 N ATOM 716 CA ARG A 62 2.094 10.080 -1.308 1.00 0.00 C ATOM 717 C ARG A 62 0.876 10.974 -1.275 1.00 0.00 C ATOM 718 O ARG A 62 0.335 11.325 -2.314 1.00 0.00 O ATOM 719 CB ARG A 62 3.167 10.738 -2.181 1.00 0.00 C ATOM 720 CG ARG A 62 3.745 11.948 -1.452 1.00 0.00 C ATOM 721 CD ARG A 62 4.494 11.492 -0.188 1.00 0.00 C ATOM 722 NE ARG A 62 5.752 12.281 -0.057 1.00 0.00 N ATOM 723 CZ ARG A 62 6.495 12.133 1.008 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.161 11.232 1.892 1.00 0.00 N ATOM 725 NH2 ARG A 62 7.546 12.892 1.154 1.00 0.00 N ATOM 0 H ARG A 62 1.780 8.751 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 62 2.457 9.933 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.958 10.022 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.737 11.046 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.423 12.490 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.945 12.637 -1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.867 11.634 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.722 10.428 -0.249 1.00 0.00 H new ATOM 0 HE ARG A 62 6.031 12.931 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.331 10.657 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.730 11.103 2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.776 13.587 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.138 12.791 1.979 1.00 0.00 H new ATOM 739 N LYS A 63 0.466 11.326 -0.080 1.00 0.00 N ATOM 740 CA LYS A 63 -0.723 12.202 0.067 1.00 0.00 C ATOM 741 C LYS A 63 -0.329 13.677 0.180 1.00 0.00 C ATOM 742 O LYS A 63 -1.054 14.477 0.743 1.00 0.00 O ATOM 743 CB LYS A 63 -1.455 11.769 1.344 1.00 0.00 C ATOM 744 CG LYS A 63 -2.814 11.177 0.970 1.00 0.00 C ATOM 745 CD LYS A 63 -3.462 10.578 2.222 1.00 0.00 C ATOM 746 CE LYS A 63 -4.823 11.234 2.445 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.702 11.026 1.261 1.00 0.00 N ATOM 0 H LYS A 63 0.907 11.042 0.795 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.357 12.103 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.861 11.033 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.588 12.623 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.457 11.949 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.692 10.409 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.579 9.501 2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.821 10.737 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.294 10.814 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.694 12.301 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.693 10.961 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.596 11.826 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.432 10.145 0.779 1.00 0.00 H new ATOM 761 N GLY A 64 0.802 14.005 -0.375 1.00 0.00 N ATOM 762 CA GLY A 64 1.278 15.430 -0.319 1.00 0.00 C ATOM 763 C GLY A 64 2.530 15.554 0.550 1.00 0.00 C ATOM 764 O GLY A 64 3.175 16.584 0.567 1.00 0.00 O ATOM 0 H GLY A 64 1.421 13.358 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.493 15.785 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.488 16.066 0.081 1.00 0.00 H new ATOM 768 N GLY A 65 2.848 14.507 1.254 1.00 0.00 N ATOM 769 CA GLY A 65 4.057 14.553 2.127 1.00 0.00 C ATOM 770 C GLY A 65 4.013 13.434 3.161 1.00 0.00 C ATOM 771 O GLY A 65 5.028 13.059 3.716 1.00 0.00 O ATOM 0 H GLY A 65 2.331 13.628 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.956 14.458 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.113 15.518 2.630 1.00 0.00 H new ATOM 775 N ASN A 66 2.835 12.922 3.391 1.00 0.00 N ATOM 776 CA ASN A 66 2.682 11.826 4.382 1.00 0.00 C ATOM 777 C ASN A 66 2.371 10.517 3.681 1.00 0.00 C ATOM 778 O ASN A 66 1.228 10.205 3.417 1.00 0.00 O ATOM 779 CB ASN A 66 1.518 12.174 5.310 1.00 0.00 C ATOM 780 CG ASN A 66 1.589 11.297 6.559 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.429 10.007 6.436 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 1.792 11.776 7.657 1.00 0.00 N flip ATOM 0 H ASN A 66 1.972 13.217 2.934 1.00 0.00 H new ATOM 0 HA ASN A 66 3.610 11.716 4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.562 13.227 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.569 12.019 4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.918 12.783 7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.837 11.171 8.477 1.00 0.00 H new ATOM 789 N ASN A 67 3.393 9.775 3.392 1.00 0.00 N ATOM 790 CA ASN A 67 3.189 8.491 2.711 1.00 0.00 C ATOM 791 C ASN A 67 2.108 7.671 3.401 1.00 0.00 C ATOM 792 O ASN A 67 2.259 7.271 4.539 1.00 0.00 O ATOM 793 CB ASN A 67 4.507 7.717 2.771 1.00 0.00 C ATOM 794 CG ASN A 67 5.152 7.909 4.144 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.646 8.969 4.467 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.167 6.908 4.981 1.00 0.00 N ATOM 0 H ASN A 67 4.363 10.009 3.602 1.00 0.00 H new ATOM 0 HA ASN A 67 2.877 8.674 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.327 6.658 2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.181 8.066 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.593 7.019 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.753 6.014 4.715 1.00 0.00 H new ATOM 803 N LYS A 68 1.031 7.434 2.703 1.00 0.00 N ATOM 804 CA LYS A 68 -0.062 6.639 3.309 1.00 0.00 C ATOM 805 C LYS A 68 0.201 5.166 3.050 1.00 0.00 C ATOM 806 O LYS A 68 0.622 4.798 1.973 1.00 0.00 O ATOM 807 CB LYS A 68 -1.388 7.047 2.648 1.00 0.00 C ATOM 808 CG LYS A 68 -2.557 6.530 3.489 1.00 0.00 C ATOM 809 CD LYS A 68 -3.569 5.845 2.569 1.00 0.00 C ATOM 810 CE LYS A 68 -4.866 5.603 3.342 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.508 6.900 3.700 1.00 0.00 N ATOM 0 H LYS A 68 0.866 7.755 1.749 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.113 6.817 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.443 8.132 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.444 6.640 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.198 5.828 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.031 7.354 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.763 6.466 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.166 4.900 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.550 5.006 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.657 5.032 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.533 6.761 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.108 7.250 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.332 7.594 2.946 1.00 0.00 H new ATOM 825 N LEU A 69 -0.052 4.346 4.041 1.00 0.00 N ATOM 826 CA LEU A 69 0.189 2.886 3.864 1.00 0.00 C ATOM 827 C LEU A 69 -1.095 2.085 3.684 1.00 0.00 C ATOM 828 O LEU A 69 -2.089 2.321 4.344 1.00 0.00 O ATOM 829 CB LEU A 69 0.897 2.372 5.130 1.00 0.00 C ATOM 830 CG LEU A 69 1.800 1.183 4.767 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.221 1.688 4.474 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.849 0.214 5.949 1.00 0.00 C ATOM 0 H LEU A 69 -0.411 4.624 4.954 1.00 0.00 H new ATOM 0 HA LEU A 69 0.786 2.754 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.491 3.170 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.160 2.069 5.874 1.00 0.00 H new ATOM 0 HG LEU A 69 1.403 0.678 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.861 0.844 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.193 2.390 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.618 2.189 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.488 -0.633 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.251 0.726 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.843 -0.143 6.169 1.00 0.00 H new ATOM 844 N ILE A 70 -1.032 1.143 2.779 1.00 0.00 N ATOM 845 CA ILE A 70 -2.203 0.280 2.501 1.00 0.00 C ATOM 846 C ILE A 70 -1.719 -1.164 2.397 1.00 0.00 C ATOM 847 O ILE A 70 -0.736 -1.438 1.737 1.00 0.00 O ATOM 848 CB ILE A 70 -2.847 0.710 1.182 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.598 2.014 1.392 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.862 -0.365 0.751 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.317 2.952 0.229 1.00 0.00 C ATOM 0 H ILE A 70 -0.206 0.938 2.217 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.941 0.368 3.299 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.075 0.837 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.668 1.822 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.290 2.477 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.328 -0.069 -0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.349 -1.317 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.629 -0.470 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.855 3.888 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.247 3.153 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.647 2.488 -0.701 1.00 0.00 H new ATOM 863 N LYS A 71 -2.408 -2.059 3.042 1.00 0.00 N ATOM 864 CA LYS A 71 -1.979 -3.485 2.982 1.00 0.00 C ATOM 865 C LYS A 71 -2.569 -4.244 1.796 1.00 0.00 C ATOM 866 O LYS A 71 -3.591 -3.884 1.250 1.00 0.00 O ATOM 867 CB LYS A 71 -2.451 -4.180 4.271 1.00 0.00 C ATOM 868 CG LYS A 71 -1.610 -3.687 5.451 1.00 0.00 C ATOM 869 CD LYS A 71 -2.382 -3.923 6.758 1.00 0.00 C ATOM 870 CE LYS A 71 -2.626 -5.427 6.951 1.00 0.00 C ATOM 871 NZ LYS A 71 -3.998 -5.798 6.500 1.00 0.00 N ATOM 0 H LYS A 71 -3.240 -1.871 3.602 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.895 -3.494 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.505 -3.967 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.357 -5.261 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.656 -4.214 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.385 -2.627 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.818 -3.525 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.333 -3.391 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.886 -5.996 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.499 -5.690 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.469 -6.353 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.547 -4.935 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.936 -6.365 5.630 1.00 0.00 H new ATOM 885 N ILE A 72 -1.877 -5.292 1.435 1.00 0.00 N ATOM 886 CA ILE A 72 -2.310 -6.146 0.302 1.00 0.00 C ATOM 887 C ILE A 72 -2.915 -7.435 0.873 1.00 0.00 C ATOM 888 O ILE A 72 -2.283 -8.089 1.683 1.00 0.00 O ATOM 889 CB ILE A 72 -1.031 -6.494 -0.511 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.878 -5.547 -1.716 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.100 -7.960 -1.008 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.739 -6.017 -2.905 1.00 0.00 C ATOM 0 H ILE A 72 -1.015 -5.594 1.889 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.047 -5.646 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.167 -6.373 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.170 -4.537 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.169 -5.502 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.200 -8.194 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.174 -8.631 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.975 -8.087 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.611 -5.330 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.428 -7.017 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.788 -6.037 -2.609 1.00 0.00 H new ATOM 904 N PHE A 73 -4.114 -7.788 0.458 1.00 0.00 N ATOM 905 CA PHE A 73 -4.718 -9.030 0.998 1.00 0.00 C ATOM 906 C PHE A 73 -4.493 -10.167 0.016 1.00 0.00 C ATOM 907 O PHE A 73 -5.313 -10.436 -0.823 1.00 0.00 O ATOM 908 CB PHE A 73 -6.231 -8.800 1.225 1.00 0.00 C ATOM 909 CG PHE A 73 -6.510 -7.300 1.344 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.678 -6.492 2.094 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.591 -6.732 0.692 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.918 -5.138 2.194 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.831 -5.373 0.793 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.991 -4.578 1.543 1.00 0.00 C ATOM 0 H PHE A 73 -4.681 -7.275 -0.217 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.253 -9.292 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.801 -9.222 0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.555 -9.313 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.832 -6.925 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.250 -7.352 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.262 -4.516 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.677 -4.935 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.176 -3.517 1.619 1.00 0.00 H new ATOM 924 N HIS A 74 -3.351 -10.796 0.139 1.00 0.00 N ATOM 925 CA HIS A 74 -3.018 -11.927 -0.767 1.00 0.00 C ATOM 926 C HIS A 74 -3.108 -13.259 -0.033 1.00 0.00 C ATOM 927 O HIS A 74 -3.130 -13.295 1.182 1.00 0.00 O ATOM 928 CB HIS A 74 -1.570 -11.725 -1.239 1.00 0.00 C ATOM 929 CG HIS A 74 -0.854 -13.071 -1.270 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.063 -13.481 -0.394 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.914 -14.076 -2.210 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.384 -14.631 -0.674 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.104 -15.098 -1.823 1.00 0.00 N ATOM 0 H HIS A 74 -2.636 -10.571 0.831 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.720 -11.946 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.559 -11.272 -2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.050 -11.040 -0.570 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.191 -12.955 0.442 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.509 -14.056 -3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.082 -15.173 -0.053 1.00 0.00 H new ATOM 941 N ARG A 75 -3.160 -14.333 -0.792 1.00 0.00 N ATOM 942 CA ARG A 75 -3.249 -15.683 -0.165 1.00 0.00 C ATOM 943 C ARG A 75 -2.025 -16.532 -0.509 1.00 0.00 C ATOM 944 O ARG A 75 -1.141 -16.702 0.308 1.00 0.00 O ATOM 945 CB ARG A 75 -4.500 -16.382 -0.701 1.00 0.00 C ATOM 946 CG ARG A 75 -5.654 -16.158 0.279 1.00 0.00 C ATOM 947 CD ARG A 75 -5.607 -17.227 1.377 1.00 0.00 C ATOM 948 NE ARG A 75 -6.679 -16.940 2.373 1.00 0.00 N ATOM 949 CZ ARG A 75 -6.797 -17.700 3.427 1.00 0.00 C ATOM 950 NH1 ARG A 75 -6.972 -18.985 3.264 1.00 0.00 N ATOM 951 NH2 ARG A 75 -6.740 -17.152 4.609 1.00 0.00 N ATOM 0 H ARG A 75 -3.144 -14.327 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.295 -15.567 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.759 -15.989 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.312 -17.449 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.582 -15.164 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.607 -16.204 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.748 -18.218 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.631 -17.227 1.862 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.315 -16.155 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.014 -19.379 2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.066 -19.594 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.605 -16.145 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.830 -17.730 5.444 1.00 0.00 H new ATOM 965 N ASP A 76 -2.001 -17.050 -1.719 1.00 0.00 N ATOM 966 CA ASP A 76 -0.844 -17.895 -2.149 1.00 0.00 C ATOM 967 C ASP A 76 -0.137 -17.281 -3.348 1.00 0.00 C ATOM 968 O ASP A 76 1.052 -17.451 -3.528 1.00 0.00 O ATOM 969 CB ASP A 76 -1.378 -19.269 -2.555 1.00 0.00 C ATOM 970 CG ASP A 76 -0.494 -20.356 -1.942 1.00 0.00 C ATOM 971 OD1 ASP A 76 0.607 -20.507 -2.447 1.00 0.00 O ATOM 972 OD2 ASP A 76 -0.968 -20.973 -1.004 1.00 0.00 O ATOM 0 H ASP A 76 -2.730 -16.923 -2.421 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.136 -17.970 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.407 -19.387 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.388 -19.362 -3.641 1.00 0.00 H new ATOM 977 N GLY A 77 -0.885 -16.579 -4.149 1.00 0.00 N ATOM 978 CA GLY A 77 -0.279 -15.941 -5.349 1.00 0.00 C ATOM 979 C GLY A 77 -1.257 -14.933 -5.957 1.00 0.00 C ATOM 980 O GLY A 77 -0.910 -14.178 -6.844 1.00 0.00 O ATOM 0 H GLY A 77 -1.885 -16.419 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.649 -15.439 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.024 -16.702 -6.086 1.00 0.00 H new ATOM 984 N LYS A 78 -2.460 -14.945 -5.459 1.00 0.00 N ATOM 985 CA LYS A 78 -3.480 -14.010 -5.976 1.00 0.00 C ATOM 986 C LYS A 78 -3.475 -12.705 -5.176 1.00 0.00 C ATOM 987 O LYS A 78 -2.561 -12.452 -4.421 1.00 0.00 O ATOM 988 CB LYS A 78 -4.861 -14.696 -5.852 1.00 0.00 C ATOM 989 CG LYS A 78 -4.825 -15.744 -4.725 1.00 0.00 C ATOM 990 CD LYS A 78 -4.210 -17.054 -5.253 1.00 0.00 C ATOM 991 CE LYS A 78 -5.333 -18.055 -5.535 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.022 -18.436 -4.271 1.00 0.00 N ATOM 0 H LYS A 78 -2.776 -15.566 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.263 -13.766 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.629 -13.951 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.126 -15.173 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.240 -15.369 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.833 -15.928 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.640 -16.862 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.515 -17.465 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.051 -17.619 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.924 -18.944 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.371 -19.413 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.354 -18.367 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.823 -17.794 -4.105 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.489 -11.895 -5.362 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.537 -10.613 -4.614 1.00 0.00 C ATOM 1008 C TYR A 79 -5.945 -10.268 -4.185 1.00 0.00 C ATOM 1009 O TYR A 79 -6.910 -10.705 -4.781 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.034 -9.505 -5.536 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.519 -9.594 -5.639 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.729 -9.306 -4.551 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.920 -9.964 -6.822 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.358 -9.383 -4.644 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.553 -10.042 -6.919 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.244 -9.753 -5.830 1.00 0.00 C ATOM 1017 OH TYR A 79 1.617 -9.832 -5.926 1.00 0.00 O ATOM 0 H TYR A 79 -5.273 -12.068 -5.992 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.920 -10.711 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.485 -9.604 -6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.328 -8.530 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.188 -9.017 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.531 -10.195 -7.682 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.251 -9.152 -3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.098 -10.332 -7.855 1.00 0.00 H new ATOM 0 HH TYR A 79 1.866 -10.108 -6.833 1.00 0.00 H new ATOM 1027 N GLY A 80 -6.031 -9.487 -3.150 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.360 -9.077 -2.636 1.00 0.00 C ATOM 1029 C GLY A 80 -7.363 -7.587 -2.387 1.00 0.00 C ATOM 1030 O GLY A 80 -6.524 -7.074 -1.664 1.00 0.00 O ATOM 0 H GLY A 80 -5.233 -9.113 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.137 -9.338 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.586 -9.612 -1.713 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.292 -6.913 -3.000 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.367 -5.463 -2.816 1.00 0.00 C ATOM 1036 C PHE A 81 -9.813 -4.986 -2.822 1.00 0.00 C ATOM 1037 O PHE A 81 -10.149 -3.995 -2.203 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.614 -4.804 -3.973 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.517 -3.921 -3.397 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -6.832 -2.940 -2.482 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -5.194 -4.103 -3.757 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -5.853 -2.155 -1.934 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -4.217 -3.314 -3.204 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.547 -2.341 -2.290 1.00 0.00 C ATOM 0 H PHE A 81 -8.997 -7.314 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.927 -5.196 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.184 -5.563 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.298 -4.211 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.862 -2.789 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.930 -4.866 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.113 -1.388 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.185 -3.458 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.775 -1.725 -1.854 1.00 0.00 H new ATOM 1054 N SER A 82 -10.642 -5.703 -3.521 1.00 0.00 N ATOM 1055 CA SER A 82 -12.074 -5.312 -3.585 1.00 0.00 C ATOM 1056 C SER A 82 -12.963 -6.531 -3.776 1.00 0.00 C ATOM 1057 O SER A 82 -14.087 -6.562 -3.310 1.00 0.00 O ATOM 1058 CB SER A 82 -12.269 -4.363 -4.777 1.00 0.00 C ATOM 1059 OG SER A 82 -11.666 -5.047 -5.866 1.00 0.00 O ATOM 0 H SER A 82 -10.392 -6.539 -4.049 1.00 0.00 H new ATOM 0 HA SER A 82 -12.349 -4.825 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.325 -4.169 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.794 -3.398 -4.600 1.00 0.00 H new ATOM 0 HG SER A 82 -11.748 -4.505 -6.678 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.440 -7.509 -4.459 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.226 -8.751 -4.705 1.00 0.00 C ATOM 1067 C ASP A 83 -12.706 -9.886 -3.801 1.00 0.00 C ATOM 1068 O ASP A 83 -11.683 -9.737 -3.162 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.033 -9.147 -6.189 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.380 -9.063 -6.917 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.047 -8.062 -6.711 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.665 -10.005 -7.638 1.00 0.00 O ATOM 0 H ASP A 83 -11.501 -7.503 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.280 -8.582 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.309 -8.484 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.632 -10.158 -6.258 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.440 -11.001 -3.733 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.026 -12.135 -2.901 1.00 0.00 C ATOM 1079 C PRO A 84 -11.800 -12.856 -3.514 1.00 0.00 C ATOM 1080 O PRO A 84 -11.763 -14.068 -3.611 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.261 -13.082 -2.894 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.263 -12.540 -3.955 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.735 -11.179 -4.428 1.00 0.00 C ATOM 0 HA PRO A 84 -12.729 -11.821 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.964 -14.103 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.722 -13.106 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.347 -13.232 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.259 -12.437 -3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.607 -11.161 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.430 -10.378 -4.176 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.816 -12.090 -3.909 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.608 -12.707 -4.508 1.00 0.00 C ATOM 1093 C LEU A 85 -10.007 -13.644 -5.644 1.00 0.00 C ATOM 1094 O LEU A 85 -9.974 -14.851 -5.502 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.857 -13.505 -3.405 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.022 -12.530 -2.542 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.342 -12.719 -1.064 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.541 -12.808 -2.754 1.00 0.00 C ATOM 0 H LEU A 85 -10.801 -11.072 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.959 -11.929 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.571 -14.041 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.207 -14.252 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.265 -11.510 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.746 -12.025 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.401 -12.525 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.108 -13.742 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.951 -12.122 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.318 -13.834 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.291 -12.668 -3.806 1.00 0.00 H new ATOM 1110 N THR A 86 -10.380 -13.052 -6.760 1.00 0.00 N ATOM 1111 CA THR A 86 -10.793 -13.865 -7.936 1.00 0.00 C ATOM 1112 C THR A 86 -10.122 -13.363 -9.210 1.00 0.00 C ATOM 1113 O THR A 86 -10.067 -14.069 -10.198 1.00 0.00 O ATOM 1114 CB THR A 86 -12.314 -13.740 -8.103 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.868 -14.667 -7.192 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.759 -14.243 -9.488 1.00 0.00 C ATOM 0 H THR A 86 -10.413 -12.042 -6.899 1.00 0.00 H new ATOM 0 HA THR A 86 -10.497 -14.901 -7.769 1.00 0.00 H new ATOM 0 HB THR A 86 -12.616 -12.702 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.846 -14.636 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.840 -14.144 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.272 -13.652 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.480 -15.290 -9.602 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.620 -12.151 -9.175 1.00 0.00 N ATOM 1125 CA PHE A 87 -8.957 -11.618 -10.391 1.00 0.00 C ATOM 1126 C PHE A 87 -7.550 -12.175 -10.500 1.00 0.00 C ATOM 1127 O PHE A 87 -7.005 -12.304 -11.578 1.00 0.00 O ATOM 1128 CB PHE A 87 -8.912 -10.081 -10.325 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.667 -9.608 -8.887 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.688 -9.603 -7.953 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.433 -9.116 -8.526 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.465 -9.105 -6.683 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.218 -8.619 -7.263 1.00 0.00 C ATOM 1134 CZ PHE A 87 -8.230 -8.613 -6.346 1.00 0.00 C ATOM 0 H PHE A 87 -9.643 -11.524 -8.371 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.525 -11.921 -11.271 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.122 -9.707 -10.976 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.851 -9.668 -10.694 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.661 -9.989 -8.217 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.625 -9.121 -9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.264 -9.103 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.246 -8.232 -6.995 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.058 -8.221 -5.355 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.993 -12.493 -9.374 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.606 -13.059 -9.350 1.00 0.00 C ATOM 1146 C ASN A 88 -4.538 -12.119 -9.934 1.00 0.00 C ATOM 1147 O ASN A 88 -3.414 -12.536 -10.136 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.608 -14.352 -10.197 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.122 -15.522 -9.346 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.003 -16.269 -8.741 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -3.938 -15.767 -9.226 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.433 -12.388 -8.460 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.348 -13.228 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.612 -14.553 -10.570 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.963 -14.230 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.246 -15.185 -9.698 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.636 -16.555 -8.653 1.00 0.00 H new ATOM 1158 N SER A 89 -4.873 -10.882 -10.195 1.00 0.00 N ATOM 1159 CA SER A 89 -3.821 -9.980 -10.763 1.00 0.00 C ATOM 1160 C SER A 89 -4.079 -8.517 -10.453 1.00 0.00 C ATOM 1161 O SER A 89 -5.182 -8.031 -10.561 1.00 0.00 O ATOM 1162 CB SER A 89 -3.795 -10.153 -12.276 1.00 0.00 C ATOM 1163 OG SER A 89 -4.814 -11.109 -12.538 1.00 0.00 O ATOM 0 H SER A 89 -5.793 -10.466 -10.048 1.00 0.00 H new ATOM 0 HA SER A 89 -2.870 -10.256 -10.307 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.992 -9.211 -12.787 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.822 -10.504 -12.620 1.00 0.00 H new ATOM 0 HG SER A 89 -4.864 -11.278 -13.502 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.031 -7.825 -10.131 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.183 -6.395 -9.811 1.00 0.00 C ATOM 1171 C VAL A 90 -3.321 -5.598 -11.076 1.00 0.00 C ATOM 1172 O VAL A 90 -4.155 -4.722 -11.180 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.935 -5.922 -9.052 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.325 -4.781 -8.114 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.378 -7.074 -8.224 1.00 0.00 C ATOM 0 H VAL A 90 -2.080 -8.189 -10.077 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.074 -6.253 -9.200 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.182 -5.582 -9.763 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.444 -4.439 -7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.735 -3.956 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.074 -5.133 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.492 -6.739 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.132 -7.408 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.111 -7.900 -8.883 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.509 -5.919 -12.021 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.571 -5.196 -13.291 1.00 0.00 C ATOM 1187 C VAL A 91 -4.002 -5.161 -13.767 1.00 0.00 C ATOM 1188 O VAL A 91 -4.454 -4.189 -14.335 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.705 -5.954 -14.308 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.163 -4.988 -15.365 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.533 -6.604 -13.574 1.00 0.00 C ATOM 0 H VAL A 91 -1.804 -6.654 -11.966 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.208 -4.175 -13.175 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.311 -6.715 -14.800 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.551 -5.537 -16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.995 -4.516 -15.887 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.557 -4.222 -14.881 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.088 -7.145 -14.288 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.063 -5.833 -13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.913 -7.298 -12.825 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.690 -6.228 -13.516 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.099 -6.301 -13.933 1.00 0.00 C ATOM 1203 C GLU A 92 -6.926 -5.366 -13.068 1.00 0.00 C ATOM 1204 O GLU A 92 -7.768 -4.636 -13.554 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.587 -7.739 -13.724 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.010 -7.864 -14.256 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.445 -9.327 -14.196 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.978 -10.066 -15.048 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -9.222 -9.625 -13.304 1.00 0.00 O ATOM 0 H GLU A 92 -4.333 -7.055 -13.038 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.199 -6.012 -14.979 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.929 -8.438 -14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.557 -7.996 -12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.687 -7.247 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.060 -7.500 -15.282 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.666 -5.410 -11.790 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.414 -4.538 -10.860 1.00 0.00 C ATOM 1218 C LEU A 93 -6.976 -3.100 -11.055 1.00 0.00 C ATOM 1219 O LEU A 93 -7.710 -2.287 -11.581 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.070 -4.975 -9.417 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.748 -4.033 -8.402 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.580 -4.862 -7.425 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.677 -3.271 -7.608 1.00 0.00 C ATOM 0 H LEU A 93 -5.968 -6.014 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.485 -4.618 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.401 -6.000 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.990 -4.961 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.384 -3.328 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.062 -4.200 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.341 -5.416 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.932 -5.562 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.159 -2.606 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.045 -3.981 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.065 -2.684 -8.293 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.780 -2.821 -10.616 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.235 -1.458 -10.746 1.00 0.00 C ATOM 1237 C ILE A 94 -5.646 -0.823 -12.072 1.00 0.00 C ATOM 1238 O ILE A 94 -5.900 0.363 -12.140 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.690 -1.571 -10.641 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.174 -0.734 -9.468 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.997 -1.098 -11.954 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.408 0.761 -9.718 1.00 0.00 C ATOM 0 H ILE A 94 -5.157 -3.493 -10.169 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.628 -0.815 -9.958 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.448 -2.621 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.678 -1.037 -8.550 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.110 -0.920 -9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.916 -1.189 -11.848 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.334 -1.716 -12.786 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.256 -0.057 -12.147 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.033 1.335 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.882 1.065 -10.623 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.475 0.947 -9.838 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.702 -1.619 -13.104 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.097 -1.061 -14.415 1.00 0.00 C ATOM 1256 C ASN A 95 -7.548 -0.613 -14.371 1.00 0.00 C ATOM 1257 O ASN A 95 -7.887 0.478 -14.810 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.948 -2.155 -15.484 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.635 -1.697 -16.773 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.089 -0.930 -17.541 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.833 -2.142 -17.047 1.00 0.00 N ATOM 0 H ASN A 95 -5.493 -2.617 -13.092 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.462 -0.207 -14.651 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.893 -2.355 -15.672 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.392 -3.086 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.304 -1.845 -17.902 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.297 -2.786 -16.406 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.387 -1.459 -13.825 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.819 -1.103 -13.741 1.00 0.00 C ATOM 1270 C HIS A 96 -10.015 0.144 -12.891 1.00 0.00 C ATOM 1271 O HIS A 96 -10.926 0.912 -13.121 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.577 -2.272 -13.094 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.980 -2.360 -13.704 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.258 -2.931 -14.780 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -13.177 -1.846 -13.241 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.493 -2.840 -15.051 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -14.168 -2.161 -14.122 1.00 0.00 N ATOM 0 H HIS A 96 -8.137 -2.370 -13.440 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.196 -0.905 -14.744 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.038 -3.205 -13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.644 -2.126 -12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -13.306 -1.285 -12.327 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.947 -3.264 -15.934 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -15.162 -1.937 -14.082 1.00 0.00 H new ATOM 1285 N TYR A 97 -9.157 0.329 -11.920 1.00 0.00 N ATOM 1286 CA TYR A 97 -9.299 1.527 -11.060 1.00 0.00 C ATOM 1287 C TYR A 97 -8.668 2.737 -11.726 1.00 0.00 C ATOM 1288 O TYR A 97 -9.154 3.845 -11.596 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.588 1.274 -9.729 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.628 0.928 -8.638 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.687 1.784 -8.359 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.520 -0.246 -7.924 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.614 1.461 -7.388 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.448 -0.566 -6.951 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.501 0.285 -6.677 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.426 -0.037 -5.701 1.00 0.00 O ATOM 0 H TYR A 97 -8.379 -0.290 -11.693 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.360 1.719 -10.898 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.875 0.457 -9.837 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.020 2.157 -9.436 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.786 2.710 -8.906 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.703 -0.922 -8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.433 2.134 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.349 -1.490 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.193 -0.901 -5.302 1.00 0.00 H new ATOM 1306 N ARG A 98 -7.591 2.510 -12.429 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.923 3.634 -13.104 1.00 0.00 C ATOM 1308 C ARG A 98 -7.934 4.419 -13.912 1.00 0.00 C ATOM 1309 O ARG A 98 -7.949 5.634 -13.885 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.864 3.059 -14.046 1.00 0.00 C ATOM 1311 CG ARG A 98 -4.476 3.286 -13.440 1.00 0.00 C ATOM 1312 CD ARG A 98 -3.430 2.536 -14.269 1.00 0.00 C ATOM 1313 NE ARG A 98 -3.202 3.273 -15.543 1.00 0.00 N ATOM 1314 CZ ARG A 98 -2.125 3.030 -16.239 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -2.002 1.871 -16.826 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -1.207 3.953 -16.325 1.00 0.00 N ATOM 0 H ARG A 98 -7.155 1.597 -12.558 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.466 4.295 -12.368 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.037 1.994 -14.200 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.930 3.538 -15.023 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.245 4.351 -13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.456 2.937 -12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.498 2.451 -13.711 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.771 1.522 -14.477 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.881 3.961 -15.868 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.741 1.173 -16.737 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.167 1.663 -17.374 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.337 4.847 -15.852 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.359 3.780 -16.865 1.00 0.00 H new ATOM 1330 N ASN A 99 -8.765 3.710 -14.623 1.00 0.00 N ATOM 1331 CA ASN A 99 -9.785 4.402 -15.438 1.00 0.00 C ATOM 1332 C ASN A 99 -10.751 5.147 -14.534 1.00 0.00 C ATOM 1333 O ASN A 99 -11.403 6.085 -14.948 1.00 0.00 O ATOM 1334 CB ASN A 99 -10.559 3.353 -16.232 1.00 0.00 C ATOM 1335 CG ASN A 99 -10.365 3.604 -17.728 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -11.204 4.187 -18.385 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.275 3.179 -18.304 1.00 0.00 N ATOM 0 H ASN A 99 -8.778 2.691 -14.671 1.00 0.00 H new ATOM 0 HA ASN A 99 -9.301 5.113 -16.108 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.211 2.354 -15.971 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.618 3.398 -15.979 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.130 3.337 -19.301 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.567 2.689 -17.757 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.817 4.703 -13.302 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.724 5.346 -12.317 1.00 0.00 C ATOM 1346 C GLU A 100 -10.930 5.966 -11.170 1.00 0.00 C ATOM 1347 O GLU A 100 -10.175 6.898 -11.370 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.654 4.266 -11.755 1.00 0.00 C ATOM 1349 CG GLU A 100 -13.369 3.586 -12.918 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.714 3.034 -12.437 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.674 2.009 -11.777 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.706 3.670 -12.757 1.00 0.00 O ATOM 0 H GLU A 100 -10.276 3.918 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.290 6.137 -12.809 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.083 3.535 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.379 4.709 -11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.525 4.297 -13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.754 2.779 -13.315 1.00 0.00 H new ATOM 1359 N SER A 101 -11.108 5.433 -9.987 1.00 0.00 N ATOM 1360 CA SER A 101 -10.368 5.982 -8.816 1.00 0.00 C ATOM 1361 C SER A 101 -10.584 5.126 -7.591 1.00 0.00 C ATOM 1362 O SER A 101 -11.573 4.428 -7.490 1.00 0.00 O ATOM 1363 CB SER A 101 -10.926 7.369 -8.495 1.00 0.00 C ATOM 1364 OG SER A 101 -10.295 8.231 -9.428 1.00 0.00 O ATOM 0 H SER A 101 -11.728 4.649 -9.785 1.00 0.00 H new ATOM 0 HA SER A 101 -9.307 6.012 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.010 7.395 -8.601 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.699 7.660 -7.469 1.00 0.00 H new ATOM 0 HG SER A 101 -9.840 7.696 -10.111 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.667 5.192 -6.664 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.845 4.377 -5.455 1.00 0.00 C ATOM 1372 C LEU A 102 -10.740 5.105 -4.483 1.00 0.00 C ATOM 1373 O LEU A 102 -10.298 5.970 -3.752 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.485 4.124 -4.768 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.467 3.516 -5.748 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.436 2.729 -4.949 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.139 2.558 -6.721 1.00 0.00 C ATOM 0 H LEU A 102 -8.824 5.765 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.290 3.425 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.096 5.062 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.623 3.452 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.006 4.327 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.706 2.291 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.928 3.397 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.935 1.936 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.392 2.146 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.612 1.748 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.895 3.094 -7.295 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.371 9.538 -6.933 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.009 8.946 -8.255 1.00 0.00 C ATOM 1536 C LYS A 112 -5.506 8.772 -8.365 1.00 0.00 C ATOM 1537 O LYS A 112 -4.761 9.724 -8.242 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.482 9.899 -9.362 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.481 10.898 -8.784 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.160 11.638 -9.935 1.00 0.00 C ATOM 1541 CE LYS A 112 -10.163 12.635 -9.362 1.00 0.00 C ATOM 1542 NZ LYS A 112 -9.471 13.635 -8.503 1.00 0.00 N ATOM 0 HA LYS A 112 -7.485 7.970 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.630 10.427 -9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.945 9.333 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.224 10.380 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.972 11.605 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.416 12.157 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.666 10.930 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.684 13.143 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.918 12.107 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.071 14.478 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.289 13.221 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.568 13.905 -8.943 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.078 7.553 -8.598 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.616 7.309 -8.717 1.00 0.00 C ATOM 1558 C LEU A 113 -3.164 7.313 -10.176 1.00 0.00 C ATOM 1559 O LEU A 113 -2.931 6.276 -10.759 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.278 5.937 -8.080 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.487 4.990 -8.145 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.863 4.724 -9.607 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.097 3.670 -7.487 1.00 0.00 C ATOM 0 H LEU A 113 -5.672 6.732 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.092 8.112 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.431 5.489 -8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.976 6.078 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.337 5.441 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.720 4.052 -9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.117 5.665 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.019 4.265 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.942 2.982 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.252 3.234 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.818 3.849 -6.449 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.051 8.494 -10.734 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.615 8.606 -12.154 1.00 0.00 C ATOM 1577 C LEU A 114 -1.223 9.212 -12.223 1.00 0.00 C ATOM 1578 O LEU A 114 -0.873 9.873 -13.181 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.595 9.553 -12.922 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.959 8.864 -13.259 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -4.732 7.484 -13.914 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.823 8.726 -11.984 1.00 0.00 C ATOM 0 H LEU A 114 -3.242 9.380 -10.266 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.612 7.612 -12.600 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.781 10.443 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.123 9.886 -13.846 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.492 9.493 -13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.695 7.025 -14.139 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.165 7.608 -14.837 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.176 6.843 -13.230 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.768 8.245 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.292 8.121 -11.249 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.018 9.714 -11.568 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.452 8.977 -11.201 1.00 0.00 N ATOM 1595 CA TYR A 115 0.920 9.525 -11.178 1.00 0.00 C ATOM 1596 C TYR A 115 1.882 8.545 -10.498 1.00 0.00 C ATOM 1597 O TYR A 115 2.361 8.785 -9.407 1.00 0.00 O ATOM 1598 CB TYR A 115 0.867 10.837 -10.387 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.458 11.535 -10.713 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.549 12.393 -11.790 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.589 11.282 -9.962 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.753 12.986 -12.113 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.793 11.878 -10.285 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.883 12.734 -11.363 1.00 0.00 C ATOM 1605 OH TYR A 115 -4.085 13.330 -11.687 1.00 0.00 O ATOM 0 H TYR A 115 -0.717 8.429 -10.383 1.00 0.00 H new ATOM 0 HA TYR A 115 1.281 9.691 -12.193 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.941 10.640 -9.317 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.709 11.476 -10.652 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.328 12.602 -12.384 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.532 10.613 -9.116 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.811 13.653 -12.960 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.670 11.672 -9.689 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.775 13.040 -11.054 1.00 0.00 H new ATOM 1615 N PRO A 116 2.146 7.436 -11.181 1.00 0.00 N ATOM 1616 CA PRO A 116 3.042 6.401 -10.669 1.00 0.00 C ATOM 1617 C PRO A 116 4.494 6.758 -10.925 1.00 0.00 C ATOM 1618 O PRO A 116 4.809 7.374 -11.926 1.00 0.00 O ATOM 1619 CB PRO A 116 2.709 5.164 -11.517 1.00 0.00 C ATOM 1620 CG PRO A 116 1.923 5.671 -12.768 1.00 0.00 C ATOM 1621 CD PRO A 116 1.561 7.141 -12.504 1.00 0.00 C ATOM 0 HA PRO A 116 2.914 6.262 -9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.619 4.645 -11.817 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.110 4.454 -10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.530 5.579 -13.669 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.024 5.075 -12.927 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.971 7.795 -13.274 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.481 7.289 -12.502 1.00 0.00 H new ATOM 1629 N VAL A 117 5.355 6.366 -10.028 1.00 0.00 N ATOM 1630 CA VAL A 117 6.785 6.682 -10.225 1.00 0.00 C ATOM 1631 C VAL A 117 7.480 5.479 -10.831 1.00 0.00 C ATOM 1632 O VAL A 117 7.359 4.376 -10.338 1.00 0.00 O ATOM 1633 CB VAL A 117 7.418 7.012 -8.876 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.385 8.523 -8.670 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.636 6.334 -7.754 1.00 0.00 C ATOM 0 H VAL A 117 5.129 5.847 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 117 6.887 7.538 -10.893 1.00 0.00 H new ATOM 0 HB VAL A 117 8.447 6.654 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.835 8.769 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.944 9.011 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.352 8.870 -8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.094 6.574 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.605 6.689 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.649 5.254 -7.902 1.00 0.00 H new ATOM 1645 N SER A 118 8.194 5.706 -11.888 1.00 0.00 N ATOM 1646 CA SER A 118 8.894 4.593 -12.538 1.00 0.00 C ATOM 1647 C SER A 118 10.299 4.411 -12.017 1.00 0.00 C ATOM 1648 O SER A 118 10.501 3.962 -10.910 1.00 0.00 O ATOM 1649 CB SER A 118 8.951 4.901 -14.036 1.00 0.00 C ATOM 1650 OG SER A 118 9.458 6.225 -14.101 1.00 0.00 O ATOM 0 H SER A 118 8.319 6.619 -12.326 1.00 0.00 H new ATOM 0 HA SER A 118 8.354 3.670 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.599 4.200 -14.562 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.965 4.829 -14.495 1.00 0.00 H new ATOM 0 HG SER A 118 9.528 6.503 -15.038 1.00 0.00 H new