USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 TYR OH : rot 18:sc= -4.33! USER MOD Set 1.2: A 49 ASN : amide:sc= -6.47! C(o=-11!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.00735 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.531 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 26:sc= 0.481 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -47:sc= 0.602 USER MOD Single : A 19 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.024) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 133:sc= -0.131 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00066 USER MOD Single : A 45 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.29) USER MOD Single : A 48 ASN : amide:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.8) USER MOD Single : A 65 ASN : amide:sc=-0.00948 X(o=-0.0095,f=0) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.0189 (180deg=-0.27) USER MOD Single : A 71 ASN : amide:sc=-0.00773 X(o=-0.0077,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.597 9.861 24.577 1.00 0.00 N ATOM 2 CA GLY A 1 -3.044 9.730 24.584 1.00 0.00 C ATOM 3 C GLY A 1 -3.602 9.737 23.160 1.00 0.00 C ATOM 4 O GLY A 1 -3.050 9.092 22.270 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.194 9.301 25.355 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.222 9.515 23.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.338 10.861 24.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.326 8.804 25.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.484 10.548 25.155 1.00 0.00 H new ATOM 8 N SER A 2 -4.690 10.473 22.988 1.00 0.00 N ATOM 9 CA SER A 2 -5.329 10.572 21.687 1.00 0.00 C ATOM 10 C SER A 2 -4.513 11.488 20.772 1.00 0.00 C ATOM 11 O SER A 2 -4.431 12.692 21.007 1.00 0.00 O ATOM 12 CB SER A 2 -6.763 11.091 21.816 1.00 0.00 C ATOM 13 OG SER A 2 -7.684 10.306 21.063 1.00 0.00 O ATOM 0 H SER A 2 -5.145 11.007 23.728 1.00 0.00 H new ATOM 0 HA SER A 2 -5.370 9.575 21.249 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.057 11.087 22.866 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.806 12.126 21.476 1.00 0.00 H new ATOM 0 HG SER A 2 -8.588 10.668 21.172 1.00 0.00 H new ATOM 19 N SER A 3 -3.931 10.881 19.748 1.00 0.00 N ATOM 20 CA SER A 3 -3.125 11.627 18.796 1.00 0.00 C ATOM 21 C SER A 3 -2.577 10.685 17.723 1.00 0.00 C ATOM 22 O SER A 3 -2.400 9.493 17.970 1.00 0.00 O ATOM 23 CB SER A 3 -1.978 12.357 19.499 1.00 0.00 C ATOM 24 OG SER A 3 -1.922 13.734 19.139 1.00 0.00 O ATOM 0 H SER A 3 -4.001 9.882 19.557 1.00 0.00 H new ATOM 0 HA SER A 3 -3.760 12.376 18.322 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.100 12.269 20.579 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.033 11.877 19.245 1.00 0.00 H new ATOM 0 HG SER A 3 -1.178 14.165 19.610 1.00 0.00 H new ATOM 30 N GLY A 4 -2.323 11.254 16.554 1.00 0.00 N ATOM 31 CA GLY A 4 -1.798 10.480 15.443 1.00 0.00 C ATOM 32 C GLY A 4 -2.856 10.299 14.352 1.00 0.00 C ATOM 33 O GLY A 4 -3.527 9.270 14.298 1.00 0.00 O ATOM 0 H GLY A 4 -2.471 12.243 16.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.924 10.981 15.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.467 9.504 15.799 1.00 0.00 H new ATOM 37 N SER A 5 -2.972 11.316 13.511 1.00 0.00 N ATOM 38 CA SER A 5 -3.937 11.282 12.425 1.00 0.00 C ATOM 39 C SER A 5 -5.357 11.218 12.989 1.00 0.00 C ATOM 40 O SER A 5 -5.655 10.379 13.839 1.00 0.00 O ATOM 41 CB SER A 5 -3.680 10.093 11.497 1.00 0.00 C ATOM 42 OG SER A 5 -2.490 10.261 10.731 1.00 0.00 O ATOM 0 H SER A 5 -2.414 12.168 13.560 1.00 0.00 H new ATOM 0 HA SER A 5 -3.826 12.195 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.604 9.181 12.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.529 9.967 10.825 1.00 0.00 H new ATOM 0 HG SER A 5 -2.360 9.480 10.153 1.00 0.00 H new ATOM 48 N SER A 6 -6.198 12.115 12.495 1.00 0.00 N ATOM 49 CA SER A 6 -7.580 12.171 12.939 1.00 0.00 C ATOM 50 C SER A 6 -8.488 11.498 11.908 1.00 0.00 C ATOM 51 O SER A 6 -8.831 12.099 10.891 1.00 0.00 O ATOM 52 CB SER A 6 -8.025 13.616 13.175 1.00 0.00 C ATOM 53 OG SER A 6 -7.836 14.428 12.020 1.00 0.00 O ATOM 0 H SER A 6 -5.948 12.809 11.791 1.00 0.00 H new ATOM 0 HA SER A 6 -7.657 11.637 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.077 13.629 13.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.464 14.036 14.010 1.00 0.00 H new ATOM 0 HG SER A 6 -8.105 13.928 11.221 1.00 0.00 H new ATOM 59 N GLY A 7 -8.853 10.260 12.207 1.00 0.00 N ATOM 60 CA GLY A 7 -9.715 9.498 11.319 1.00 0.00 C ATOM 61 C GLY A 7 -8.905 8.841 10.200 1.00 0.00 C ATOM 62 O GLY A 7 -7.951 8.112 10.465 1.00 0.00 O ATOM 0 H GLY A 7 -8.567 9.765 13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.244 8.733 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.471 10.155 10.888 1.00 0.00 H new ATOM 66 N MET A 8 -9.316 9.123 8.972 1.00 0.00 N ATOM 67 CA MET A 8 -8.641 8.568 7.811 1.00 0.00 C ATOM 68 C MET A 8 -9.261 9.092 6.514 1.00 0.00 C ATOM 69 O MET A 8 -10.198 8.497 5.985 1.00 0.00 O ATOM 70 CB MET A 8 -8.740 7.041 7.844 1.00 0.00 C ATOM 71 CG MET A 8 -7.969 6.417 6.679 1.00 0.00 C ATOM 72 SD MET A 8 -9.100 5.949 5.379 1.00 0.00 S ATOM 73 CE MET A 8 -9.698 4.399 6.032 1.00 0.00 C ATOM 0 H MET A 8 -10.108 9.729 8.756 1.00 0.00 H new ATOM 0 HA MET A 8 -7.595 8.874 7.841 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.344 6.668 8.788 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.786 6.740 7.795 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.235 7.126 6.296 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.417 5.543 7.024 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.420 3.967 5.339 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.862 3.712 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.178 4.571 6.996 1.00 0.00 H new ATOM 83 N CYS A 9 -8.712 10.200 6.039 1.00 0.00 N ATOM 84 CA CYS A 9 -9.199 10.811 4.814 1.00 0.00 C ATOM 85 C CYS A 9 -8.358 12.058 4.531 1.00 0.00 C ATOM 86 O CYS A 9 -8.215 12.923 5.394 1.00 0.00 O ATOM 87 CB CYS A 9 -10.691 11.137 4.899 1.00 0.00 C ATOM 88 SG CYS A 9 -10.990 12.362 6.224 1.00 0.00 S ATOM 0 H CYS A 9 -7.934 10.691 6.480 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.094 10.108 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -11.041 11.529 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -11.259 10.228 5.098 1.00 0.00 H new ATOM 0 HG CYS A 9 -9.916 13.071 6.410 1.00 0.00 H new ATOM 94 N GLY A 10 -7.824 12.110 3.320 1.00 0.00 N ATOM 95 CA GLY A 10 -7.001 13.237 2.913 1.00 0.00 C ATOM 96 C GLY A 10 -5.514 12.914 3.069 1.00 0.00 C ATOM 97 O GLY A 10 -5.058 11.852 2.649 1.00 0.00 O ATOM 0 H GLY A 10 -7.945 11.390 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.215 13.492 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.252 14.111 3.514 1.00 0.00 H new ATOM 101 N VAL A 11 -4.798 13.850 3.675 1.00 0.00 N ATOM 102 CA VAL A 11 -3.371 13.679 3.891 1.00 0.00 C ATOM 103 C VAL A 11 -3.110 12.281 4.457 1.00 0.00 C ATOM 104 O VAL A 11 -2.109 11.650 4.124 1.00 0.00 O ATOM 105 CB VAL A 11 -2.840 14.797 4.790 1.00 0.00 C ATOM 106 CG1 VAL A 11 -2.852 16.141 4.059 1.00 0.00 C ATOM 107 CG2 VAL A 11 -3.636 14.876 6.095 1.00 0.00 C ATOM 0 H VAL A 11 -5.180 14.729 4.023 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.830 13.755 2.948 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.806 14.562 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.470 16.918 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.223 16.078 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.872 16.385 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.238 15.679 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.684 15.076 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.554 13.929 6.629 1.00 0.00 H new ATOM 117 N GLU A 12 -4.029 11.840 5.304 1.00 0.00 N ATOM 118 CA GLU A 12 -3.910 10.529 5.920 1.00 0.00 C ATOM 119 C GLU A 12 -3.687 9.458 4.850 1.00 0.00 C ATOM 120 O GLU A 12 -2.753 8.663 4.947 1.00 0.00 O ATOM 121 CB GLU A 12 -5.142 10.208 6.768 1.00 0.00 C ATOM 122 CG GLU A 12 -5.231 11.138 7.980 1.00 0.00 C ATOM 123 CD GLU A 12 -6.688 11.452 8.325 1.00 0.00 C ATOM 124 OE1 GLU A 12 -7.199 12.451 7.773 1.00 0.00 O ATOM 125 OE2 GLU A 12 -7.258 10.686 9.132 1.00 0.00 O ATOM 0 H GLU A 12 -4.858 12.367 5.578 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.045 10.538 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.042 10.309 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.097 9.172 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.743 10.673 8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.695 12.064 7.772 1.00 0.00 H new ATOM 132 N LEU A 13 -4.560 9.472 3.853 1.00 0.00 N ATOM 133 CA LEU A 13 -4.470 8.512 2.766 1.00 0.00 C ATOM 134 C LEU A 13 -3.061 8.551 2.172 1.00 0.00 C ATOM 135 O LEU A 13 -2.348 7.549 2.190 1.00 0.00 O ATOM 136 CB LEU A 13 -5.578 8.760 1.740 1.00 0.00 C ATOM 137 CG LEU A 13 -5.825 7.632 0.735 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.247 7.702 0.173 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.770 7.643 -0.372 1.00 0.00 C ATOM 0 H LEU A 13 -5.333 10.133 3.775 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.631 7.500 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.507 8.952 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.337 9.667 1.186 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.731 6.681 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.397 6.890 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.965 7.608 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.392 8.658 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.969 6.832 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.807 8.596 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.781 7.509 0.067 1.00 0.00 H new ATOM 151 N ASP A 14 -2.702 9.719 1.660 1.00 0.00 N ATOM 152 CA ASP A 14 -1.390 9.902 1.062 1.00 0.00 C ATOM 153 C ASP A 14 -0.313 9.497 2.070 1.00 0.00 C ATOM 154 O ASP A 14 0.702 8.911 1.698 1.00 0.00 O ATOM 155 CB ASP A 14 -1.157 11.366 0.683 1.00 0.00 C ATOM 156 CG ASP A 14 -0.249 11.584 -0.529 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.984 11.572 -0.324 1.00 0.00 O ATOM 158 OD2 ASP A 14 -0.809 11.758 -1.633 1.00 0.00 O ATOM 0 H ASP A 14 -3.296 10.548 1.647 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.339 9.285 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.122 11.832 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.725 11.883 1.540 1.00 0.00 H new ATOM 163 N SER A 15 -0.571 9.826 3.328 1.00 0.00 N ATOM 164 CA SER A 15 0.363 9.503 4.392 1.00 0.00 C ATOM 165 C SER A 15 0.624 7.996 4.422 1.00 0.00 C ATOM 166 O SER A 15 1.769 7.558 4.326 1.00 0.00 O ATOM 167 CB SER A 15 -0.162 9.978 5.749 1.00 0.00 C ATOM 168 OG SER A 15 0.556 11.109 6.233 1.00 0.00 O ATOM 0 H SER A 15 -1.414 10.313 3.633 1.00 0.00 H new ATOM 0 HA SER A 15 1.300 10.023 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.219 10.230 5.661 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.087 9.165 6.471 1.00 0.00 H new ATOM 0 HG SER A 15 0.190 11.383 7.100 1.00 0.00 H new ATOM 174 N LEU A 16 -0.459 7.243 4.555 1.00 0.00 N ATOM 175 CA LEU A 16 -0.362 5.794 4.598 1.00 0.00 C ATOM 176 C LEU A 16 0.569 5.316 3.481 1.00 0.00 C ATOM 177 O LEU A 16 1.439 4.478 3.709 1.00 0.00 O ATOM 178 CB LEU A 16 -1.754 5.162 4.551 1.00 0.00 C ATOM 179 CG LEU A 16 -2.695 5.526 5.702 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.103 4.982 5.452 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.128 5.055 7.042 1.00 0.00 C ATOM 0 H LEU A 16 -1.408 7.610 4.634 1.00 0.00 H new ATOM 0 HA LEU A 16 0.078 5.470 5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.230 5.449 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.639 4.078 4.531 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.774 6.612 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.752 5.255 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.499 5.407 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.063 3.896 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.815 5.326 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.001 3.973 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.163 5.530 7.216 1.00 0.00 H new ATOM 193 N ILE A 17 0.353 5.870 2.297 1.00 0.00 N ATOM 194 CA ILE A 17 1.161 5.511 1.144 1.00 0.00 C ATOM 195 C ILE A 17 2.627 5.838 1.433 1.00 0.00 C ATOM 196 O ILE A 17 3.459 4.938 1.536 1.00 0.00 O ATOM 197 CB ILE A 17 0.619 6.181 -0.120 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.697 5.536 -0.562 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.664 6.172 -1.237 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.345 6.333 -1.695 1.00 0.00 C ATOM 0 H ILE A 17 -0.370 6.565 2.111 1.00 0.00 H new ATOM 0 HA ILE A 17 1.104 4.439 0.958 1.00 0.00 H new ATOM 0 HB ILE A 17 0.405 7.224 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.512 4.514 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.381 5.479 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.253 6.654 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.552 6.712 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.933 5.143 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.278 5.853 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.551 7.348 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.669 6.367 -2.549 1.00 0.00 H new ATOM 212 N SER A 18 2.900 7.129 1.554 1.00 0.00 N ATOM 213 CA SER A 18 4.251 7.586 1.829 1.00 0.00 C ATOM 214 C SER A 18 4.876 6.737 2.937 1.00 0.00 C ATOM 215 O SER A 18 6.005 6.268 2.803 1.00 0.00 O ATOM 216 CB SER A 18 4.263 9.065 2.222 1.00 0.00 C ATOM 217 OG SER A 18 5.589 9.566 2.374 1.00 0.00 O ATOM 0 H SER A 18 2.208 7.873 1.466 1.00 0.00 H new ATOM 0 HA SER A 18 4.841 7.475 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.741 9.646 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.716 9.197 3.156 1.00 0.00 H new ATOM 0 HG SER A 18 6.114 8.943 2.919 1.00 0.00 H new ATOM 223 N GLN A 19 4.114 6.563 4.007 1.00 0.00 N ATOM 224 CA GLN A 19 4.578 5.778 5.138 1.00 0.00 C ATOM 225 C GLN A 19 5.256 4.496 4.651 1.00 0.00 C ATOM 226 O GLN A 19 6.363 4.173 5.080 1.00 0.00 O ATOM 227 CB GLN A 19 3.428 5.461 6.095 1.00 0.00 C ATOM 228 CG GLN A 19 2.960 6.720 6.827 1.00 0.00 C ATOM 229 CD GLN A 19 3.036 6.534 8.343 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.074 6.223 8.905 1.00 0.00 O ATOM 231 NE2 GLN A 19 1.882 6.739 8.972 1.00 0.00 N ATOM 0 H GLN A 19 3.178 6.953 4.114 1.00 0.00 H new ATOM 0 HA GLN A 19 5.311 6.368 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.596 5.029 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.749 4.713 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.577 7.568 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.936 6.954 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.050 6.997 8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.829 6.638 9.986 1.00 0.00 H new ATOM 240 N VAL A 20 4.564 3.800 3.761 1.00 0.00 N ATOM 241 CA VAL A 20 5.086 2.560 3.212 1.00 0.00 C ATOM 242 C VAL A 20 6.231 2.876 2.248 1.00 0.00 C ATOM 243 O VAL A 20 7.334 2.352 2.395 1.00 0.00 O ATOM 244 CB VAL A 20 3.956 1.762 2.557 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.503 0.527 1.839 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.893 1.372 3.585 1.00 0.00 C ATOM 0 H VAL A 20 3.647 4.071 3.407 1.00 0.00 H new ATOM 0 HA VAL A 20 5.493 1.932 4.005 1.00 0.00 H new ATOM 0 HB VAL A 20 3.482 2.401 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.680 -0.023 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.206 0.837 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.014 -0.115 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.102 0.806 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.347 0.759 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.471 2.272 4.032 1.00 0.00 H new ATOM 256 N LYS A 21 5.930 3.733 1.283 1.00 0.00 N ATOM 257 CA LYS A 21 6.920 4.125 0.295 1.00 0.00 C ATOM 258 C LYS A 21 8.245 4.427 0.999 1.00 0.00 C ATOM 259 O LYS A 21 9.282 3.867 0.645 1.00 0.00 O ATOM 260 CB LYS A 21 6.398 5.285 -0.556 1.00 0.00 C ATOM 261 CG LYS A 21 7.054 5.290 -1.938 1.00 0.00 C ATOM 262 CD LYS A 21 6.128 5.916 -2.983 1.00 0.00 C ATOM 263 CE LYS A 21 6.710 7.228 -3.514 1.00 0.00 C ATOM 264 NZ LYS A 21 6.321 8.358 -2.642 1.00 0.00 N ATOM 0 H LYS A 21 5.014 4.167 1.165 1.00 0.00 H new ATOM 0 HA LYS A 21 7.107 3.308 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.316 5.204 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.598 6.230 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.991 5.846 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.301 4.270 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.981 5.219 -3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.148 6.100 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.797 7.157 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.355 7.406 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.724 9.240 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.284 8.435 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.681 8.194 -1.680 1.00 0.00 H new ATOM 278 N ASP A 22 8.168 5.310 1.983 1.00 0.00 N ATOM 279 CA ASP A 22 9.348 5.693 2.740 1.00 0.00 C ATOM 280 C ASP A 22 10.191 4.448 3.025 1.00 0.00 C ATOM 281 O ASP A 22 11.418 4.520 3.058 1.00 0.00 O ATOM 282 CB ASP A 22 8.962 6.320 4.081 1.00 0.00 C ATOM 283 CG ASP A 22 8.845 7.846 4.071 1.00 0.00 C ATOM 284 OD1 ASP A 22 7.828 8.334 3.533 1.00 0.00 O ATOM 285 OD2 ASP A 22 9.776 8.490 4.602 1.00 0.00 O ATOM 0 H ASP A 22 7.306 5.772 2.274 1.00 0.00 H new ATOM 0 HA ASP A 22 9.907 6.419 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.009 5.900 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.703 6.032 4.826 1.00 0.00 H new ATOM 290 N LEU A 23 9.498 3.336 3.224 1.00 0.00 N ATOM 291 CA LEU A 23 10.168 2.078 3.505 1.00 0.00 C ATOM 292 C LEU A 23 10.446 1.348 2.190 1.00 0.00 C ATOM 293 O LEU A 23 11.505 0.743 2.023 1.00 0.00 O ATOM 294 CB LEU A 23 9.358 1.252 4.507 1.00 0.00 C ATOM 295 CG LEU A 23 9.344 1.770 5.947 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.524 0.850 6.853 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.767 1.971 6.471 1.00 0.00 C ATOM 0 H LEU A 23 8.480 3.280 3.196 1.00 0.00 H new ATOM 0 HA LEU A 23 11.132 2.258 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.329 1.195 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.751 0.235 4.511 1.00 0.00 H new ATOM 0 HG LEU A 23 8.857 2.745 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.531 1.241 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.498 0.802 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.959 -0.150 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.729 2.340 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.301 1.021 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.287 2.696 5.844 1.00 0.00 H new ATOM 309 N LEU A 24 9.478 1.429 1.289 1.00 0.00 N ATOM 310 CA LEU A 24 9.606 0.783 -0.007 1.00 0.00 C ATOM 311 C LEU A 24 9.378 1.817 -1.111 1.00 0.00 C ATOM 312 O LEU A 24 8.329 1.825 -1.752 1.00 0.00 O ATOM 313 CB LEU A 24 8.675 -0.428 -0.096 1.00 0.00 C ATOM 314 CG LEU A 24 8.946 -1.557 0.900 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.917 -2.679 0.749 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.380 -2.073 0.768 1.00 0.00 C ATOM 0 H LEU A 24 8.602 1.932 1.430 1.00 0.00 H new ATOM 0 HA LEU A 24 10.614 0.391 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.650 -0.084 0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.739 -0.837 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 24 8.840 -1.156 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.132 -3.469 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.918 -2.284 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.967 -3.085 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.546 -2.875 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.539 -2.453 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.079 -1.260 0.964 1.00 0.00 H new ATOM 328 N PRO A 25 10.406 2.687 -1.305 1.00 0.00 N ATOM 329 CA PRO A 25 10.328 3.723 -2.321 1.00 0.00 C ATOM 330 C PRO A 25 10.517 3.133 -3.720 1.00 0.00 C ATOM 331 O PRO A 25 9.984 3.659 -4.696 1.00 0.00 O ATOM 332 CB PRO A 25 11.409 4.723 -1.947 1.00 0.00 C ATOM 333 CG PRO A 25 12.355 3.985 -1.013 1.00 0.00 C ATOM 334 CD PRO A 25 11.664 2.707 -0.565 1.00 0.00 C ATOM 0 HA PRO A 25 9.352 4.207 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.934 5.080 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.980 5.597 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.291 3.755 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.604 4.606 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.270 1.829 -0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.490 2.707 0.511 1.00 0.00 H new ATOM 342 N ASP A 26 11.277 2.049 -3.773 1.00 0.00 N ATOM 343 CA ASP A 26 11.543 1.383 -5.037 1.00 0.00 C ATOM 344 C ASP A 26 10.219 1.109 -5.753 1.00 0.00 C ATOM 345 O ASP A 26 10.087 1.381 -6.945 1.00 0.00 O ATOM 346 CB ASP A 26 12.247 0.043 -4.815 1.00 0.00 C ATOM 347 CG ASP A 26 13.727 0.017 -5.202 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.407 1.026 -4.913 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.145 -1.010 -5.779 1.00 0.00 O ATOM 0 H ASP A 26 11.717 1.615 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 26 12.184 2.033 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.158 -0.227 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.724 -0.724 -5.387 1.00 0.00 H new ATOM 354 N LEU A 27 9.273 0.575 -4.995 1.00 0.00 N ATOM 355 CA LEU A 27 7.964 0.262 -5.542 1.00 0.00 C ATOM 356 C LEU A 27 7.234 1.563 -5.883 1.00 0.00 C ATOM 357 O LEU A 27 7.528 2.612 -5.313 1.00 0.00 O ATOM 358 CB LEU A 27 7.187 -0.647 -4.588 1.00 0.00 C ATOM 359 CG LEU A 27 7.756 -2.054 -4.390 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.162 -2.715 -3.144 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.555 -2.908 -5.643 1.00 0.00 C ATOM 0 H LEU A 27 9.387 0.351 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 27 8.064 -0.301 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.133 -0.158 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.165 -0.738 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 27 8.830 -1.968 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.583 -3.714 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.400 -2.115 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.080 -2.788 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.968 -3.903 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.490 -2.989 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.063 -2.441 -6.487 1.00 0.00 H new ATOM 373 N GLY A 28 6.295 1.451 -6.812 1.00 0.00 N ATOM 374 CA GLY A 28 5.521 2.605 -7.235 1.00 0.00 C ATOM 375 C GLY A 28 4.283 2.788 -6.354 1.00 0.00 C ATOM 376 O GLY A 28 3.749 1.819 -5.818 1.00 0.00 O ATOM 0 H GLY A 28 6.053 0.579 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.141 3.500 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.217 2.482 -8.275 1.00 0.00 H new ATOM 380 N GLU A 29 3.863 4.039 -6.231 1.00 0.00 N ATOM 381 CA GLU A 29 2.699 4.362 -5.425 1.00 0.00 C ATOM 382 C GLU A 29 1.483 3.569 -5.907 1.00 0.00 C ATOM 383 O GLU A 29 0.797 2.932 -5.109 1.00 0.00 O ATOM 384 CB GLU A 29 2.417 5.865 -5.446 1.00 0.00 C ATOM 385 CG GLU A 29 3.131 6.574 -4.294 1.00 0.00 C ATOM 386 CD GLU A 29 2.837 8.076 -4.308 1.00 0.00 C ATOM 387 OE1 GLU A 29 1.772 8.451 -3.771 1.00 0.00 O ATOM 388 OE2 GLU A 29 3.685 8.815 -4.854 1.00 0.00 O ATOM 0 H GLU A 29 4.309 4.841 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 29 2.907 4.080 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.745 6.287 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.343 6.038 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.810 6.146 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.206 6.409 -4.371 1.00 0.00 H new ATOM 395 N GLY A 30 1.253 3.633 -7.210 1.00 0.00 N ATOM 396 CA GLY A 30 0.131 2.929 -7.808 1.00 0.00 C ATOM 397 C GLY A 30 -0.036 1.539 -7.189 1.00 0.00 C ATOM 398 O GLY A 30 -1.155 1.110 -6.913 1.00 0.00 O ATOM 0 H GLY A 30 1.825 4.162 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.783 3.506 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.286 2.836 -8.883 1.00 0.00 H new ATOM 402 N PHE A 31 1.093 0.876 -6.988 1.00 0.00 N ATOM 403 CA PHE A 31 1.085 -0.456 -6.407 1.00 0.00 C ATOM 404 C PHE A 31 0.965 -0.388 -4.883 1.00 0.00 C ATOM 405 O PHE A 31 0.395 -1.284 -4.261 1.00 0.00 O ATOM 406 CB PHE A 31 2.418 -1.112 -6.774 1.00 0.00 C ATOM 407 CG PHE A 31 2.690 -2.423 -6.034 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.216 -3.596 -6.533 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.406 -2.416 -4.878 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.469 -4.813 -5.847 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.659 -3.633 -4.192 1.00 0.00 C ATOM 412 CZ PHE A 31 3.185 -4.806 -4.691 1.00 0.00 C ATOM 0 H PHE A 31 2.019 1.236 -7.217 1.00 0.00 H new ATOM 0 HA PHE A 31 0.235 -1.023 -6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.435 -1.302 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.226 -0.412 -6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.647 -3.602 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.782 -1.484 -4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.093 -5.745 -6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.228 -3.627 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.377 -5.732 -4.169 1.00 0.00 H new ATOM 422 N ILE A 32 1.512 0.682 -4.326 1.00 0.00 N ATOM 423 CA ILE A 32 1.474 0.878 -2.886 1.00 0.00 C ATOM 424 C ILE A 32 0.044 1.214 -2.460 1.00 0.00 C ATOM 425 O ILE A 32 -0.393 0.825 -1.378 1.00 0.00 O ATOM 426 CB ILE A 32 2.506 1.925 -2.461 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.922 1.482 -2.833 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.379 2.245 -0.970 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.847 2.689 -3.004 1.00 0.00 C ATOM 0 H ILE A 32 1.984 1.422 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 32 1.754 -0.039 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 32 2.303 2.846 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.316 0.824 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.895 0.906 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.123 2.992 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.382 2.634 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.541 1.338 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.847 2.346 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.463 3.332 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.890 3.249 -2.070 1.00 0.00 H new ATOM 441 N LEU A 33 -0.645 1.935 -3.332 1.00 0.00 N ATOM 442 CA LEU A 33 -2.017 2.329 -3.059 1.00 0.00 C ATOM 443 C LEU A 33 -2.924 1.100 -3.150 1.00 0.00 C ATOM 444 O LEU A 33 -3.686 0.816 -2.227 1.00 0.00 O ATOM 445 CB LEU A 33 -2.440 3.474 -3.981 1.00 0.00 C ATOM 446 CG LEU A 33 -3.927 3.834 -3.965 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.733 2.872 -4.839 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.461 3.893 -2.533 1.00 0.00 C ATOM 0 H LEU A 33 -0.279 2.257 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.106 2.718 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.869 4.362 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.160 3.214 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.042 4.830 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.787 3.150 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.372 2.924 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.616 1.855 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.520 4.151 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.332 2.921 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.913 4.649 -1.971 1.00 0.00 H new ATOM 460 N ALA A 34 -2.811 0.403 -4.271 1.00 0.00 N ATOM 461 CA ALA A 34 -3.611 -0.790 -4.495 1.00 0.00 C ATOM 462 C ALA A 34 -3.530 -1.692 -3.262 1.00 0.00 C ATOM 463 O ALA A 34 -4.555 -2.080 -2.703 1.00 0.00 O ATOM 464 CB ALA A 34 -3.133 -1.495 -5.765 1.00 0.00 C ATOM 0 H ALA A 34 -2.178 0.641 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.658 -0.527 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.733 -2.389 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.239 -0.822 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.086 -1.776 -5.653 1.00 0.00 H new ATOM 470 N CYS A 35 -2.301 -1.999 -2.873 1.00 0.00 N ATOM 471 CA CYS A 35 -2.072 -2.849 -1.716 1.00 0.00 C ATOM 472 C CYS A 35 -2.879 -2.289 -0.543 1.00 0.00 C ATOM 473 O CYS A 35 -3.764 -2.963 -0.016 1.00 0.00 O ATOM 474 CB CYS A 35 -0.583 -2.961 -1.383 1.00 0.00 C ATOM 475 SG CYS A 35 0.173 -4.321 -2.346 1.00 0.00 S ATOM 0 H CYS A 35 -1.453 -1.675 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.405 -3.864 -1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.080 -2.021 -1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.453 -3.144 -0.316 1.00 0.00 H new ATOM 0 HG CYS A 35 1.288 -3.911 -2.875 1.00 0.00 H new ATOM 481 N LEU A 36 -2.546 -1.063 -0.168 1.00 0.00 N ATOM 482 CA LEU A 36 -3.229 -0.406 0.934 1.00 0.00 C ATOM 483 C LEU A 36 -4.735 -0.642 0.808 1.00 0.00 C ATOM 484 O LEU A 36 -5.344 -1.267 1.675 1.00 0.00 O ATOM 485 CB LEU A 36 -2.841 1.073 0.998 1.00 0.00 C ATOM 486 CG LEU A 36 -1.529 1.392 1.717 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.877 2.648 1.136 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.745 1.504 3.228 1.00 0.00 C ATOM 0 H LEU A 36 -1.812 -0.507 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.918 -0.835 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.776 1.455 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.645 1.618 1.493 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.838 0.565 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.054 2.853 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.667 2.492 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.553 3.495 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.797 1.731 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.460 2.301 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.133 0.560 3.611 1.00 0.00 H new ATOM 500 N GLU A 37 -5.294 -0.130 -0.279 1.00 0.00 N ATOM 501 CA GLU A 37 -6.717 -0.277 -0.529 1.00 0.00 C ATOM 502 C GLU A 37 -7.181 -1.684 -0.145 1.00 0.00 C ATOM 503 O GLU A 37 -8.185 -1.843 0.547 1.00 0.00 O ATOM 504 CB GLU A 37 -7.052 0.032 -1.990 1.00 0.00 C ATOM 505 CG GLU A 37 -7.271 1.532 -2.197 1.00 0.00 C ATOM 506 CD GLU A 37 -8.328 1.788 -3.273 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.433 1.223 -3.128 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.007 2.544 -4.215 1.00 0.00 O ATOM 0 H GLU A 37 -4.786 0.387 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.251 0.442 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.243 -0.313 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.948 -0.514 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.583 1.990 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.332 2.004 -2.485 1.00 0.00 H new ATOM 515 N TYR A 38 -6.427 -2.668 -0.612 1.00 0.00 N ATOM 516 CA TYR A 38 -6.748 -4.056 -0.327 1.00 0.00 C ATOM 517 C TYR A 38 -6.470 -4.393 1.139 1.00 0.00 C ATOM 518 O TYR A 38 -7.188 -5.188 1.745 1.00 0.00 O ATOM 519 CB TYR A 38 -5.825 -4.894 -1.214 1.00 0.00 C ATOM 520 CG TYR A 38 -6.079 -6.400 -1.130 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.627 -7.116 -0.040 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.761 -7.043 -2.143 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.865 -8.534 0.040 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.999 -8.461 -2.063 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.540 -9.136 -0.976 1.00 0.00 C ATOM 526 OH TYR A 38 -6.766 -10.475 -0.901 1.00 0.00 O ATOM 0 H TYR A 38 -5.595 -2.532 -1.186 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.803 -4.252 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.943 -4.573 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.790 -4.694 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.095 -6.613 0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.116 -6.483 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.516 -9.106 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.530 -8.977 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.260 -10.768 -1.695 1.00 0.00 H new ATOM 536 N TYR A 39 -5.426 -3.772 1.668 1.00 0.00 N ATOM 537 CA TYR A 39 -5.044 -3.996 3.052 1.00 0.00 C ATOM 538 C TYR A 39 -5.718 -2.982 3.978 1.00 0.00 C ATOM 539 O TYR A 39 -5.064 -2.386 4.833 1.00 0.00 O ATOM 540 CB TYR A 39 -3.528 -3.793 3.109 1.00 0.00 C ATOM 541 CG TYR A 39 -2.721 -4.964 2.546 1.00 0.00 C ATOM 542 CD1 TYR A 39 -2.823 -6.213 3.124 1.00 0.00 C ATOM 543 CD2 TYR A 39 -1.892 -4.772 1.460 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.064 -7.316 2.595 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.132 -5.875 0.930 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.256 -7.092 1.524 1.00 0.00 C ATOM 547 OH TYR A 39 -0.538 -8.134 1.023 1.00 0.00 O ATOM 0 H TYR A 39 -4.833 -3.114 1.163 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.345 -4.992 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.272 -2.889 2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.233 -3.627 4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.473 -6.363 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.813 -3.795 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.135 -8.298 3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.479 -5.739 0.081 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.923 -8.978 1.339 1.00 0.00 H new ATOM 557 N HIS A 40 -7.017 -2.817 3.776 1.00 0.00 N ATOM 558 CA HIS A 40 -7.787 -1.885 4.583 1.00 0.00 C ATOM 559 C HIS A 40 -6.958 -0.626 4.844 1.00 0.00 C ATOM 560 O HIS A 40 -6.868 -0.162 5.980 1.00 0.00 O ATOM 561 CB HIS A 40 -8.272 -2.554 5.871 1.00 0.00 C ATOM 562 CG HIS A 40 -9.373 -3.566 5.660 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.713 -3.222 5.636 1.00 0.00 N ATOM 564 CD2 HIS A 40 -9.318 -4.915 5.464 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.424 -4.322 5.434 1.00 0.00 C ATOM 566 NE2 HIS A 40 -10.557 -5.370 5.329 1.00 0.00 N ATOM 0 H HIS A 40 -7.556 -3.313 3.066 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.683 -1.582 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.427 -3.046 6.353 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.626 -1.785 6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.418 -5.511 5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.500 -4.379 5.365 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.818 -6.343 5.172 1.00 0.00 H new ATOM 574 N TYR A 41 -6.374 -0.109 3.774 1.00 0.00 N ATOM 575 CA TYR A 41 -5.555 1.088 3.873 1.00 0.00 C ATOM 576 C TYR A 41 -4.635 1.023 5.093 1.00 0.00 C ATOM 577 O TYR A 41 -4.494 2.004 5.822 1.00 0.00 O ATOM 578 CB TYR A 41 -6.531 2.253 4.046 1.00 0.00 C ATOM 579 CG TYR A 41 -7.256 2.654 2.760 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.540 3.151 1.690 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.627 2.519 2.670 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.222 3.528 0.479 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.309 2.897 1.459 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.573 3.382 0.424 1.00 0.00 C ATOM 585 OH TYR A 41 -9.218 3.739 -0.720 1.00 0.00 O ATOM 0 H TYR A 41 -6.451 -0.496 2.834 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.926 1.197 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.271 1.984 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.986 3.116 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.468 3.257 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.188 2.130 3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.673 3.918 -0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.381 2.797 1.375 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.179 3.580 -0.617 1.00 0.00 H new ATOM 595 N ASP A 42 -4.033 -0.143 5.279 1.00 0.00 N ATOM 596 CA ASP A 42 -3.130 -0.348 6.399 1.00 0.00 C ATOM 597 C ASP A 42 -1.700 -0.498 5.876 1.00 0.00 C ATOM 598 O ASP A 42 -1.452 -1.268 4.950 1.00 0.00 O ATOM 599 CB ASP A 42 -3.488 -1.622 7.168 1.00 0.00 C ATOM 600 CG ASP A 42 -3.407 -1.502 8.691 1.00 0.00 C ATOM 601 OD1 ASP A 42 -2.294 -1.709 9.219 1.00 0.00 O ATOM 602 OD2 ASP A 42 -4.462 -1.205 9.293 1.00 0.00 O ATOM 0 H ASP A 42 -4.153 -0.955 4.673 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.216 0.512 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.500 -1.921 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.822 -2.422 6.846 1.00 0.00 H new ATOM 607 N PRO A 43 -0.773 0.271 6.507 1.00 0.00 N ATOM 608 CA PRO A 43 0.625 0.232 6.115 1.00 0.00 C ATOM 609 C PRO A 43 1.298 -1.049 6.612 1.00 0.00 C ATOM 610 O PRO A 43 1.875 -1.797 5.825 1.00 0.00 O ATOM 611 CB PRO A 43 1.235 1.492 6.706 1.00 0.00 C ATOM 612 CG PRO A 43 0.275 1.950 7.792 1.00 0.00 C ATOM 613 CD PRO A 43 -1.031 1.195 7.608 1.00 0.00 C ATOM 0 HA PRO A 43 0.758 0.211 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.224 1.291 7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.358 2.261 5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.694 1.754 8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.107 3.025 7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.311 0.661 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.851 1.873 7.372 1.00 0.00 H new ATOM 621 N GLU A 44 1.202 -1.262 7.916 1.00 0.00 N ATOM 622 CA GLU A 44 1.794 -2.440 8.528 1.00 0.00 C ATOM 623 C GLU A 44 1.437 -3.692 7.725 1.00 0.00 C ATOM 624 O GLU A 44 2.318 -4.455 7.333 1.00 0.00 O ATOM 625 CB GLU A 44 1.354 -2.580 9.987 1.00 0.00 C ATOM 626 CG GLU A 44 2.307 -1.832 10.921 1.00 0.00 C ATOM 627 CD GLU A 44 1.571 -0.733 11.690 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.485 -1.045 12.226 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.110 0.394 11.725 1.00 0.00 O ATOM 0 H GLU A 44 0.723 -0.639 8.566 1.00 0.00 H new ATOM 0 HA GLU A 44 2.878 -2.324 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.343 -2.190 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.323 -3.634 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.758 -2.533 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.120 -1.394 10.342 1.00 0.00 H new ATOM 636 N GLN A 45 0.142 -3.865 7.504 1.00 0.00 N ATOM 637 CA GLN A 45 -0.343 -5.011 6.754 1.00 0.00 C ATOM 638 C GLN A 45 0.473 -5.191 5.472 1.00 0.00 C ATOM 639 O GLN A 45 1.060 -6.249 5.249 1.00 0.00 O ATOM 640 CB GLN A 45 -1.833 -4.871 6.440 1.00 0.00 C ATOM 641 CG GLN A 45 -2.664 -4.841 7.724 1.00 0.00 C ATOM 642 CD GLN A 45 -4.139 -5.126 7.431 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.489 -6.067 6.738 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.979 -4.263 7.994 1.00 0.00 N ATOM 0 H GLN A 45 -0.586 -3.230 7.831 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.218 -5.902 7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.004 -3.957 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.156 -5.702 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.280 -5.580 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.566 -3.866 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.618 -3.497 8.563 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.984 -4.367 7.857 1.00 0.00 H new ATOM 653 N VAL A 46 0.484 -4.141 4.664 1.00 0.00 N ATOM 654 CA VAL A 46 1.219 -4.170 3.411 1.00 0.00 C ATOM 655 C VAL A 46 2.633 -4.696 3.665 1.00 0.00 C ATOM 656 O VAL A 46 2.989 -5.779 3.201 1.00 0.00 O ATOM 657 CB VAL A 46 1.204 -2.783 2.764 1.00 0.00 C ATOM 658 CG1 VAL A 46 2.032 -2.770 1.477 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.228 -2.316 2.500 1.00 0.00 C ATOM 0 H VAL A 46 -0.004 -3.265 4.853 1.00 0.00 H new ATOM 0 HA VAL A 46 0.742 -4.849 2.704 1.00 0.00 H new ATOM 0 HB VAL A 46 1.660 -2.082 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.005 -1.773 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.064 -3.038 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.618 -3.490 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.210 -1.328 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.722 -3.019 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.774 -2.268 3.442 1.00 0.00 H new ATOM 669 N ILE A 47 3.401 -3.906 4.401 1.00 0.00 N ATOM 670 CA ILE A 47 4.768 -4.279 4.722 1.00 0.00 C ATOM 671 C ILE A 47 4.793 -5.724 5.225 1.00 0.00 C ATOM 672 O ILE A 47 5.419 -6.587 4.613 1.00 0.00 O ATOM 673 CB ILE A 47 5.381 -3.276 5.701 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.485 -1.887 5.069 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.731 -3.772 6.221 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.828 -0.830 6.121 1.00 0.00 C ATOM 0 H ILE A 47 3.102 -3.009 4.784 1.00 0.00 H new ATOM 0 HA ILE A 47 5.393 -4.241 3.830 1.00 0.00 H new ATOM 0 HB ILE A 47 4.717 -3.189 6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.249 -1.893 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.542 -1.632 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.145 -3.040 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.596 -4.724 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.416 -3.906 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.896 0.148 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.049 -0.809 6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.783 -1.075 6.585 1.00 0.00 H new ATOM 688 N ASN A 48 4.103 -5.942 6.336 1.00 0.00 N ATOM 689 CA ASN A 48 4.039 -7.267 6.928 1.00 0.00 C ATOM 690 C ASN A 48 3.888 -8.310 5.819 1.00 0.00 C ATOM 691 O ASN A 48 4.676 -9.251 5.735 1.00 0.00 O ATOM 692 CB ASN A 48 2.835 -7.394 7.864 1.00 0.00 C ATOM 693 CG ASN A 48 3.261 -7.261 9.327 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.836 -8.162 9.917 1.00 0.00 O ATOM 695 ND2 ASN A 48 2.948 -6.092 9.878 1.00 0.00 N ATOM 0 H ASN A 48 3.584 -5.223 6.841 1.00 0.00 H new ATOM 0 HA ASN A 48 4.956 -7.428 7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.101 -6.625 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.350 -8.358 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.190 -5.906 10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.466 -5.381 9.327 1.00 0.00 H new ATOM 702 N ASN A 49 2.869 -8.109 4.996 1.00 0.00 N ATOM 703 CA ASN A 49 2.605 -9.020 3.896 1.00 0.00 C ATOM 704 C ASN A 49 3.855 -9.133 3.021 1.00 0.00 C ATOM 705 O ASN A 49 4.507 -10.176 2.995 1.00 0.00 O ATOM 706 CB ASN A 49 1.460 -8.508 3.020 1.00 0.00 C ATOM 707 CG ASN A 49 0.108 -8.998 3.544 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.450 -9.977 3.077 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.386 -8.263 4.536 1.00 0.00 N ATOM 0 H ASN A 49 2.217 -7.328 5.069 1.00 0.00 H new ATOM 0 HA ASN A 49 2.332 -9.987 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.473 -7.418 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.602 -8.848 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.284 -8.507 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.133 -7.455 4.880 1.00 0.00 H new ATOM 716 N ILE A 50 4.152 -8.045 2.325 1.00 0.00 N ATOM 717 CA ILE A 50 5.312 -8.009 1.451 1.00 0.00 C ATOM 718 C ILE A 50 6.481 -8.722 2.133 1.00 0.00 C ATOM 719 O ILE A 50 7.187 -9.508 1.503 1.00 0.00 O ATOM 720 CB ILE A 50 5.626 -6.570 1.038 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.560 -6.028 0.083 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.033 -6.465 0.445 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.424 -4.510 0.217 1.00 0.00 C ATOM 0 H ILE A 50 3.609 -7.182 2.349 1.00 0.00 H new ATOM 0 HA ILE A 50 5.108 -8.545 0.524 1.00 0.00 H new ATOM 0 HB ILE A 50 5.605 -5.946 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.822 -6.284 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.602 -6.503 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.231 -5.432 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.765 -6.783 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.106 -7.105 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.660 -4.151 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.138 -4.259 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.377 -4.037 -0.019 1.00 0.00 H new ATOM 735 N LEU A 51 6.650 -8.423 3.413 1.00 0.00 N ATOM 736 CA LEU A 51 7.721 -9.026 4.188 1.00 0.00 C ATOM 737 C LEU A 51 7.574 -10.548 4.155 1.00 0.00 C ATOM 738 O LEU A 51 8.526 -11.261 3.842 1.00 0.00 O ATOM 739 CB LEU A 51 7.755 -8.441 5.601 1.00 0.00 C ATOM 740 CG LEU A 51 8.818 -7.372 5.860 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.725 -6.842 7.292 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.217 -7.899 5.533 1.00 0.00 C ATOM 0 H LEU A 51 6.063 -7.771 3.933 1.00 0.00 H new ATOM 0 HA LEU A 51 8.690 -8.790 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.777 -8.012 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.910 -9.257 6.307 1.00 0.00 H new ATOM 0 HG LEU A 51 8.627 -6.532 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.492 -6.083 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.741 -6.402 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.876 -7.662 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.954 -7.119 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.434 -8.766 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.261 -8.188 4.483 1.00 0.00 H new ATOM 754 N GLU A 52 6.373 -11.002 4.483 1.00 0.00 N ATOM 755 CA GLU A 52 6.089 -12.427 4.495 1.00 0.00 C ATOM 756 C GLU A 52 5.820 -12.927 3.074 1.00 0.00 C ATOM 757 O GLU A 52 5.498 -14.097 2.875 1.00 0.00 O ATOM 758 CB GLU A 52 4.912 -12.743 5.420 1.00 0.00 C ATOM 759 CG GLU A 52 5.211 -12.309 6.856 1.00 0.00 C ATOM 760 CD GLU A 52 5.346 -13.522 7.779 1.00 0.00 C ATOM 761 OE1 GLU A 52 6.111 -14.436 7.405 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.681 -13.506 8.837 1.00 0.00 O ATOM 0 H GLU A 52 5.585 -10.408 4.742 1.00 0.00 H new ATOM 0 HA GLU A 52 6.964 -12.949 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.017 -12.235 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.703 -13.812 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.132 -11.726 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.413 -11.660 7.217 1.00 0.00 H new ATOM 769 N GLU A 53 5.962 -12.015 2.124 1.00 0.00 N ATOM 770 CA GLU A 53 5.739 -12.348 0.727 1.00 0.00 C ATOM 771 C GLU A 53 4.374 -13.017 0.553 1.00 0.00 C ATOM 772 O GLU A 53 4.200 -13.862 -0.324 1.00 0.00 O ATOM 773 CB GLU A 53 6.859 -13.241 0.191 1.00 0.00 C ATOM 774 CG GLU A 53 7.869 -12.426 -0.620 1.00 0.00 C ATOM 775 CD GLU A 53 9.166 -12.222 0.165 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.996 -13.156 0.142 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.298 -11.136 0.770 1.00 0.00 O ATOM 0 H GLU A 53 6.229 -11.045 2.294 1.00 0.00 H new ATOM 0 HA GLU A 53 5.746 -11.425 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.366 -13.733 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.435 -14.027 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.084 -12.937 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.439 -11.458 -0.876 1.00 0.00 H new ATOM 784 N ARG A 54 3.440 -12.615 1.403 1.00 0.00 N ATOM 785 CA ARG A 54 2.097 -13.165 1.355 1.00 0.00 C ATOM 786 C ARG A 54 1.211 -12.323 0.434 1.00 0.00 C ATOM 787 O ARG A 54 0.004 -12.546 0.353 1.00 0.00 O ATOM 788 CB ARG A 54 1.470 -13.213 2.750 1.00 0.00 C ATOM 789 CG ARG A 54 2.338 -14.024 3.714 1.00 0.00 C ATOM 790 CD ARG A 54 2.358 -15.503 3.321 1.00 0.00 C ATOM 791 NE ARG A 54 1.001 -16.079 3.449 1.00 0.00 N ATOM 792 CZ ARG A 54 0.404 -16.341 4.620 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.040 -16.080 5.770 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.829 -16.864 4.641 1.00 0.00 N ATOM 0 H ARG A 54 3.588 -11.914 2.129 1.00 0.00 H new ATOM 0 HA ARG A 54 2.169 -14.181 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.346 -12.200 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.476 -13.655 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.354 -13.630 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.956 -13.919 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.712 -15.611 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.055 -16.048 3.958 1.00 0.00 H new ATOM 0 HE ARG A 54 0.488 -16.290 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.979 -15.682 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.585 -16.280 6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.314 -17.063 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.283 -17.063 5.532 1.00 0.00 H new ATOM 808 N LEU A 55 1.846 -11.374 -0.238 1.00 0.00 N ATOM 809 CA LEU A 55 1.131 -10.497 -1.150 1.00 0.00 C ATOM 810 C LEU A 55 0.107 -11.316 -1.939 1.00 0.00 C ATOM 811 O LEU A 55 0.429 -12.380 -2.465 1.00 0.00 O ATOM 812 CB LEU A 55 2.114 -9.726 -2.033 1.00 0.00 C ATOM 813 CG LEU A 55 2.750 -8.485 -1.404 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.609 -7.733 -2.423 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.686 -7.584 -0.774 1.00 0.00 C ATOM 0 H LEU A 55 2.847 -11.193 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 55 0.576 -9.740 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.911 -10.406 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.594 -9.422 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 55 3.413 -8.809 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.049 -6.855 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.403 -8.388 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.988 -7.420 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.164 -6.709 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.980 -7.264 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.155 -8.136 0.002 1.00 0.00 H new ATOM 827 N ALA A 56 -1.107 -10.788 -1.997 1.00 0.00 N ATOM 828 CA ALA A 56 -2.181 -11.456 -2.713 1.00 0.00 C ATOM 829 C ALA A 56 -1.730 -11.744 -4.146 1.00 0.00 C ATOM 830 O ALA A 56 -0.794 -11.120 -4.643 1.00 0.00 O ATOM 831 CB ALA A 56 -3.444 -10.594 -2.661 1.00 0.00 C ATOM 0 H ALA A 56 -1.371 -9.905 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.419 -12.411 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.249 -11.095 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.739 -10.443 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.245 -9.628 -3.125 1.00 0.00 H new ATOM 837 N PRO A 57 -2.436 -12.714 -4.787 1.00 0.00 N ATOM 838 CA PRO A 57 -2.118 -13.092 -6.154 1.00 0.00 C ATOM 839 C PRO A 57 -2.608 -12.033 -7.143 1.00 0.00 C ATOM 840 O PRO A 57 -2.272 -12.080 -8.326 1.00 0.00 O ATOM 841 CB PRO A 57 -2.783 -14.444 -6.352 1.00 0.00 C ATOM 842 CG PRO A 57 -3.830 -14.559 -5.257 1.00 0.00 C ATOM 843 CD PRO A 57 -3.551 -13.473 -4.230 1.00 0.00 C ATOM 0 HA PRO A 57 -1.045 -13.161 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.241 -14.513 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.054 -15.252 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.831 -14.444 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.789 -15.544 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.424 -12.839 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.294 -13.901 -3.261 1.00 0.00 H new ATOM 851 N THR A 58 -3.395 -11.102 -6.624 1.00 0.00 N ATOM 852 CA THR A 58 -3.935 -10.034 -7.447 1.00 0.00 C ATOM 853 C THR A 58 -3.038 -8.796 -7.370 1.00 0.00 C ATOM 854 O THR A 58 -2.972 -8.013 -8.317 1.00 0.00 O ATOM 855 CB THR A 58 -5.373 -9.770 -6.997 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.135 -10.771 -7.666 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.926 -8.453 -7.543 1.00 0.00 C ATOM 0 H THR A 58 -3.672 -11.065 -5.643 1.00 0.00 H new ATOM 0 HA THR A 58 -3.955 -10.318 -8.499 1.00 0.00 H new ATOM 0 HB THR A 58 -5.415 -9.757 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.081 -10.675 -7.429 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.949 -8.315 -7.193 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.308 -7.626 -7.193 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.915 -8.478 -8.633 1.00 0.00 H new ATOM 865 N LEU A 59 -2.370 -8.659 -6.234 1.00 0.00 N ATOM 866 CA LEU A 59 -1.480 -7.530 -6.022 1.00 0.00 C ATOM 867 C LEU A 59 -0.063 -7.916 -6.449 1.00 0.00 C ATOM 868 O LEU A 59 0.621 -7.141 -7.116 1.00 0.00 O ATOM 869 CB LEU A 59 -1.574 -7.039 -4.576 1.00 0.00 C ATOM 870 CG LEU A 59 -2.988 -6.858 -4.019 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.950 -6.495 -2.534 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.773 -5.832 -4.840 1.00 0.00 C ATOM 0 H LEU A 59 -2.427 -9.311 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.781 -6.686 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.041 -7.745 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.051 -6.085 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.513 -7.809 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.968 -6.372 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.455 -7.291 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.401 -5.563 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.774 -5.722 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.259 -4.871 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.845 -6.171 -5.873 1.00 0.00 H new ATOM 884 N SER A 60 0.336 -9.114 -6.048 1.00 0.00 N ATOM 885 CA SER A 60 1.660 -9.613 -6.381 1.00 0.00 C ATOM 886 C SER A 60 1.859 -9.595 -7.898 1.00 0.00 C ATOM 887 O SER A 60 2.989 -9.653 -8.380 1.00 0.00 O ATOM 888 CB SER A 60 1.870 -11.026 -5.834 1.00 0.00 C ATOM 889 OG SER A 60 3.249 -11.380 -5.785 1.00 0.00 O ATOM 0 H SER A 60 -0.234 -9.754 -5.495 1.00 0.00 H new ATOM 0 HA SER A 60 2.399 -8.960 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.442 -11.095 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.334 -11.740 -6.459 1.00 0.00 H new ATOM 0 HG SER A 60 3.341 -12.288 -5.429 1.00 0.00 H new ATOM 895 N GLN A 61 0.743 -9.516 -8.608 1.00 0.00 N ATOM 896 CA GLN A 61 0.781 -9.491 -10.061 1.00 0.00 C ATOM 897 C GLN A 61 0.806 -8.047 -10.566 1.00 0.00 C ATOM 898 O GLN A 61 1.375 -7.763 -11.619 1.00 0.00 O ATOM 899 CB GLN A 61 -0.402 -10.258 -10.654 1.00 0.00 C ATOM 900 CG GLN A 61 -1.730 -9.705 -10.134 1.00 0.00 C ATOM 901 CD GLN A 61 -2.899 -10.180 -11.000 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.259 -9.568 -11.992 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.468 -11.303 -10.572 1.00 0.00 N ATOM 0 H GLN A 61 -0.193 -9.468 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 61 1.694 -9.987 -10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.376 -10.189 -11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.319 -11.315 -10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.883 -10.025 -9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.697 -8.616 -10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.117 -11.765 -9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.256 -11.702 -11.083 1.00 0.00 H new ATOM 912 N LEU A 62 0.183 -7.171 -9.790 1.00 0.00 N ATOM 913 CA LEU A 62 0.127 -5.764 -10.146 1.00 0.00 C ATOM 914 C LEU A 62 1.539 -5.265 -10.462 1.00 0.00 C ATOM 915 O LEU A 62 2.523 -5.848 -10.009 1.00 0.00 O ATOM 916 CB LEU A 62 -0.577 -4.962 -9.050 1.00 0.00 C ATOM 917 CG LEU A 62 -2.086 -4.774 -9.220 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.674 -3.972 -8.057 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.410 -4.140 -10.575 1.00 0.00 C ATOM 0 H LEU A 62 -0.287 -7.409 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.470 -5.623 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.398 -5.455 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.113 -3.978 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.556 -5.757 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.748 -3.853 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.491 -4.501 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.202 -2.990 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.489 -4.017 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.926 -3.166 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.046 -4.785 -11.375 1.00 0.00 H new ATOM 931 N ASP A 63 1.593 -4.192 -11.237 1.00 0.00 N ATOM 932 CA ASP A 63 2.868 -3.608 -11.619 1.00 0.00 C ATOM 933 C ASP A 63 3.579 -3.085 -10.369 1.00 0.00 C ATOM 934 O ASP A 63 3.145 -2.102 -9.770 1.00 0.00 O ATOM 935 CB ASP A 63 2.670 -2.433 -12.578 1.00 0.00 C ATOM 936 CG ASP A 63 3.552 -2.463 -13.828 1.00 0.00 C ATOM 937 OD1 ASP A 63 3.205 -3.233 -14.749 1.00 0.00 O ATOM 938 OD2 ASP A 63 4.554 -1.715 -13.834 1.00 0.00 O ATOM 0 H ASP A 63 0.775 -3.712 -11.611 1.00 0.00 H new ATOM 0 HA ASP A 63 3.459 -4.380 -12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.626 -2.409 -12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.863 -1.506 -12.038 1.00 0.00 H new ATOM 943 N ARG A 64 4.659 -3.765 -10.014 1.00 0.00 N ATOM 944 CA ARG A 64 5.434 -3.380 -8.846 1.00 0.00 C ATOM 945 C ARG A 64 5.760 -1.886 -8.894 1.00 0.00 C ATOM 946 O ARG A 64 6.001 -1.267 -7.859 1.00 0.00 O ATOM 947 CB ARG A 64 6.738 -4.177 -8.764 1.00 0.00 C ATOM 948 CG ARG A 64 6.467 -5.635 -8.391 1.00 0.00 C ATOM 949 CD ARG A 64 7.408 -6.100 -7.277 1.00 0.00 C ATOM 950 NE ARG A 64 7.809 -7.506 -7.507 1.00 0.00 N ATOM 951 CZ ARG A 64 8.602 -7.906 -8.510 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.083 -7.010 -9.383 1.00 0.00 N ATOM 953 NH2 ARG A 64 8.913 -9.203 -8.642 1.00 0.00 N ATOM 0 H ARG A 64 5.016 -4.579 -10.514 1.00 0.00 H new ATOM 0 HA ARG A 64 4.833 -3.596 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.256 -4.133 -9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.398 -3.725 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.432 -5.745 -8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.595 -6.269 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.291 -5.462 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.914 -6.008 -6.310 1.00 0.00 H new ATOM 0 HE ARG A 64 7.460 -8.215 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.845 -6.023 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.687 -7.315 -10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.546 -9.886 -7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.517 -9.508 -9.406 1.00 0.00 H new ATOM 967 N ASN A 65 5.756 -1.350 -10.105 1.00 0.00 N ATOM 968 CA ASN A 65 6.047 0.060 -10.301 1.00 0.00 C ATOM 969 C ASN A 65 4.822 0.751 -10.902 1.00 0.00 C ATOM 970 O ASN A 65 4.942 1.514 -11.859 1.00 0.00 O ATOM 971 CB ASN A 65 7.219 0.251 -11.266 1.00 0.00 C ATOM 972 CG ASN A 65 8.426 -0.585 -10.836 1.00 0.00 C ATOM 973 OD1 ASN A 65 9.093 -0.301 -9.855 1.00 0.00 O ATOM 974 ND2 ASN A 65 8.667 -1.630 -11.622 1.00 0.00 N ATOM 0 H ASN A 65 5.556 -1.867 -10.961 1.00 0.00 H new ATOM 0 HA ASN A 65 6.303 0.489 -9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.915 -0.034 -12.273 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.496 1.304 -11.303 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.450 -2.251 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.069 -1.811 -12.428 1.00 0.00 H new ATOM 981 N LEU A 66 3.670 0.459 -10.316 1.00 0.00 N ATOM 982 CA LEU A 66 2.424 1.043 -10.782 1.00 0.00 C ATOM 983 C LEU A 66 2.340 2.497 -10.313 1.00 0.00 C ATOM 984 O LEU A 66 2.592 2.792 -9.145 1.00 0.00 O ATOM 985 CB LEU A 66 1.234 0.186 -10.344 1.00 0.00 C ATOM 986 CG LEU A 66 -0.118 0.550 -10.962 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.460 -0.387 -12.122 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.218 0.571 -9.899 1.00 0.00 C ATOM 0 H LEU A 66 3.574 -0.175 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 66 2.394 1.057 -11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.453 -0.854 -10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.145 0.251 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.047 1.557 -11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.425 -0.107 -12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.308 -0.309 -12.891 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.507 -1.414 -11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.169 0.832 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.298 -0.414 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.972 1.309 -9.136 1.00 0.00 H new ATOM 1000 N ASP A 67 1.985 3.367 -11.246 1.00 0.00 N ATOM 1001 CA ASP A 67 1.864 4.783 -10.943 1.00 0.00 C ATOM 1002 C ASP A 67 0.417 5.096 -10.558 1.00 0.00 C ATOM 1003 O ASP A 67 -0.470 4.262 -10.732 1.00 0.00 O ATOM 1004 CB ASP A 67 2.226 5.639 -12.159 1.00 0.00 C ATOM 1005 CG ASP A 67 2.061 7.147 -11.960 1.00 0.00 C ATOM 1006 OD1 ASP A 67 3.050 7.774 -11.523 1.00 0.00 O ATOM 1007 OD2 ASP A 67 0.948 7.639 -12.248 1.00 0.00 O ATOM 0 H ASP A 67 1.777 3.119 -12.213 1.00 0.00 H new ATOM 0 HA ASP A 67 2.546 5.012 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.261 5.435 -12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.606 5.329 -13.000 1.00 0.00 H new ATOM 1012 N ARG A 68 0.224 6.301 -10.042 1.00 0.00 N ATOM 1013 CA ARG A 68 -1.100 6.735 -9.630 1.00 0.00 C ATOM 1014 C ARG A 68 -1.716 7.643 -10.696 1.00 0.00 C ATOM 1015 O ARG A 68 -2.786 7.348 -11.226 1.00 0.00 O ATOM 1016 CB ARG A 68 -1.045 7.487 -8.299 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.802 6.525 -7.135 1.00 0.00 C ATOM 1018 CD ARG A 68 -2.108 6.212 -6.401 1.00 0.00 C ATOM 1019 NE ARG A 68 -2.988 5.392 -7.263 1.00 0.00 N ATOM 1020 CZ ARG A 68 -4.320 5.321 -7.126 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -4.931 6.021 -6.160 1.00 0.00 N ATOM 1022 NH2 ARG A 68 -5.039 4.551 -7.953 1.00 0.00 N ATOM 0 H ARG A 68 0.962 6.990 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.716 5.845 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.250 8.233 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.980 8.024 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.360 5.601 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.086 6.963 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.895 5.680 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.613 7.139 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.554 4.847 -8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.383 6.607 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.944 5.968 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.573 4.018 -8.688 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.052 4.497 -7.848 1.00 0.00 H new ATOM 1036 N GLU A 69 -1.014 8.731 -10.979 1.00 0.00 N ATOM 1037 CA GLU A 69 -1.479 9.684 -11.972 1.00 0.00 C ATOM 1038 C GLU A 69 -0.357 10.009 -12.961 1.00 0.00 C ATOM 1039 O GLU A 69 0.803 10.128 -12.572 1.00 0.00 O ATOM 1040 CB GLU A 69 -2.008 10.956 -11.306 1.00 0.00 C ATOM 1041 CG GLU A 69 -3.530 10.909 -11.166 1.00 0.00 C ATOM 1042 CD GLU A 69 -4.066 12.211 -10.567 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -3.765 12.455 -9.379 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -4.765 12.932 -11.311 1.00 0.00 O ATOM 0 H GLU A 69 -0.127 8.973 -10.538 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.304 9.232 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.552 11.072 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.720 11.826 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.984 10.740 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.815 10.069 -10.533 1.00 0.00 H new ATOM 1051 N MET A 70 -0.744 10.143 -14.221 1.00 0.00 N ATOM 1052 CA MET A 70 0.214 10.451 -15.269 1.00 0.00 C ATOM 1053 C MET A 70 0.270 11.957 -15.535 1.00 0.00 C ATOM 1054 O MET A 70 -0.542 12.488 -16.291 1.00 0.00 O ATOM 1055 CB MET A 70 -0.181 9.720 -16.554 1.00 0.00 C ATOM 1056 CG MET A 70 1.053 9.380 -17.392 1.00 0.00 C ATOM 1057 SD MET A 70 0.780 9.840 -19.095 1.00 0.00 S ATOM 1058 CE MET A 70 1.589 11.431 -19.120 1.00 0.00 C ATOM 0 H MET A 70 -1.708 10.044 -14.540 1.00 0.00 H new ATOM 0 HA MET A 70 1.200 10.121 -14.942 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.720 8.806 -16.306 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.861 10.342 -17.136 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.925 9.904 -17.000 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.266 8.313 -17.324 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.749 11.742 -20.152 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.963 12.165 -18.613 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.550 11.359 -18.610 1.00 0.00 H new ATOM 1068 N ASN A 71 1.237 12.603 -14.899 1.00 0.00 N ATOM 1069 CA ASN A 71 1.409 14.037 -15.057 1.00 0.00 C ATOM 1070 C ASN A 71 0.041 14.720 -15.000 1.00 0.00 C ATOM 1071 O ASN A 71 -0.322 15.306 -13.981 1.00 0.00 O ATOM 1072 CB ASN A 71 2.048 14.369 -16.407 1.00 0.00 C ATOM 1073 CG ASN A 71 3.477 14.884 -16.226 1.00 0.00 C ATOM 1074 OD1 ASN A 71 4.269 14.342 -15.473 1.00 0.00 O ATOM 1075 ND2 ASN A 71 3.761 15.959 -16.956 1.00 0.00 N ATOM 0 H ASN A 71 1.909 12.159 -14.273 1.00 0.00 H new ATOM 0 HA ASN A 71 2.057 14.390 -14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.055 13.480 -17.038 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.449 15.121 -16.922 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.689 16.379 -16.905 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.051 16.363 -17.567 1.00 0.00 H new TER 1082 ASN A 71