USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.00057) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -1.21 F(o=-2,f=-1.2) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.206 F(o=-0.97,f=-0.21) USER MOD Single : A 80 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= -0.193 (180deg=-0.794) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.475 F(o=-1.5,f=-0.48) USER MOD Single : A 98 ASN : amide:sc= -0.0947 X(o=-0.095,f=-0.54) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN :FLIP amide:sc= -0.741 F(o=-2.1,f=-0.74) USER MOD Single : A 103 LYS NZ :NH3+ -117:sc= -0.269 (180deg=-1.87!) USER MOD Single : A 107 SER OG : rot 180:sc= -1.27 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 71:sc= -0.0775 USER MOD Single : A 119 CYS SG : rot -140:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 0.469 -4.420 -2.836 1.00 0.00 N ATOM 2 CA LYS A 60 1.823 -4.204 -3.332 1.00 0.00 C ATOM 3 C LYS A 60 1.898 -4.449 -4.836 1.00 0.00 C ATOM 4 O LYS A 60 2.906 -4.937 -5.344 1.00 0.00 O ATOM 5 CB LYS A 60 2.807 -5.124 -2.605 1.00 0.00 C ATOM 6 CG LYS A 60 4.205 -4.543 -2.480 1.00 0.00 C ATOM 7 CD LYS A 60 5.018 -5.268 -1.421 1.00 0.00 C ATOM 8 CE LYS A 60 5.442 -6.650 -1.894 1.00 0.00 C ATOM 9 NZ LYS A 60 6.231 -7.372 -0.858 1.00 0.00 N ATOM 0 HA LYS A 60 2.093 -3.166 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.422 -5.339 -1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.864 -6.074 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.715 -4.610 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.139 -3.485 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.902 -4.680 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.430 -5.359 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.558 -7.234 -2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.036 -6.556 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.501 -8.309 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.088 -6.828 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.656 -7.484 0.001 1.00 0.00 H new ATOM 23 N GLU A 61 0.825 -4.105 -5.541 1.00 0.00 N ATOM 24 CA GLU A 61 0.770 -4.287 -6.986 1.00 0.00 C ATOM 25 C GLU A 61 1.891 -3.513 -7.675 1.00 0.00 C ATOM 26 O GLU A 61 2.861 -4.099 -8.157 1.00 0.00 O ATOM 27 CB GLU A 61 -0.586 -3.833 -7.530 1.00 0.00 C ATOM 28 CG GLU A 61 -1.748 -4.693 -7.060 1.00 0.00 C ATOM 29 CD GLU A 61 -3.049 -4.347 -7.758 1.00 0.00 C ATOM 30 OE1 GLU A 61 -3.685 -3.347 -7.364 1.00 0.00 O ATOM 31 OE2 GLU A 61 -3.431 -5.075 -8.698 1.00 0.00 O ATOM 0 H GLU A 61 -0.018 -3.699 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 61 0.901 -5.348 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.763 -2.801 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.554 -3.844 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.513 -5.743 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.874 -4.571 -5.984 1.00 0.00 H new ATOM 38 N THR A 62 1.750 -2.192 -7.718 1.00 0.00 N ATOM 39 CA THR A 62 2.747 -1.337 -8.348 1.00 0.00 C ATOM 40 C THR A 62 3.921 -1.078 -7.411 1.00 0.00 C ATOM 41 O THR A 62 3.778 -1.138 -6.190 1.00 0.00 O ATOM 42 CB THR A 62 2.141 0.013 -8.777 1.00 0.00 C ATOM 43 OG1 THR A 62 1.646 0.714 -7.631 1.00 0.00 O ATOM 44 CG2 THR A 62 1.013 -0.194 -9.777 1.00 0.00 C ATOM 0 H THR A 62 0.954 -1.691 -7.323 1.00 0.00 H new ATOM 0 HA THR A 62 3.101 -1.866 -9.233 1.00 0.00 H new ATOM 0 HB THR A 62 2.924 0.603 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.264 1.572 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.600 0.773 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.399 -0.702 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.230 -0.801 -9.322 1.00 0.00 H new ATOM 52 N VAL A 63 5.083 -0.790 -7.990 1.00 0.00 N ATOM 53 CA VAL A 63 6.282 -0.520 -7.205 1.00 0.00 C ATOM 54 C VAL A 63 6.717 0.934 -7.349 1.00 0.00 C ATOM 55 O VAL A 63 6.406 1.607 -8.332 1.00 0.00 O ATOM 56 CB VAL A 63 7.446 -1.437 -7.626 1.00 0.00 C ATOM 57 CG1 VAL A 63 7.254 -2.836 -7.062 1.00 0.00 C ATOM 58 CG2 VAL A 63 7.572 -1.476 -9.141 1.00 0.00 C ATOM 0 H VAL A 63 5.219 -0.738 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 63 6.030 -0.719 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 63 8.372 -1.031 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.086 -3.470 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.218 -2.788 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.320 -3.255 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.399 -2.128 -9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.647 -1.857 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.760 -0.470 -9.516 1.00 0.00 H new ATOM 68 N PRO A 64 7.455 1.433 -6.346 1.00 0.00 N ATOM 69 CA PRO A 64 7.950 2.813 -6.338 1.00 0.00 C ATOM 70 C PRO A 64 9.035 3.045 -7.383 1.00 0.00 C ATOM 71 O PRO A 64 9.281 2.193 -8.237 1.00 0.00 O ATOM 72 CB PRO A 64 8.521 2.976 -4.927 1.00 0.00 C ATOM 73 CG PRO A 64 8.877 1.594 -4.500 1.00 0.00 C ATOM 74 CD PRO A 64 7.863 0.688 -5.143 1.00 0.00 C ATOM 0 HA PRO A 64 7.165 3.530 -6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.395 3.628 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.790 3.422 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.888 1.336 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.850 1.502 -3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.293 -0.281 -5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.017 0.498 -4.482 1.00 0.00 H new ATOM 82 N TYR A 65 9.682 4.203 -7.309 1.00 0.00 N ATOM 83 CA TYR A 65 10.741 4.549 -8.251 1.00 0.00 C ATOM 84 C TYR A 65 12.085 4.667 -7.539 1.00 0.00 C ATOM 85 O TYR A 65 13.140 4.619 -8.172 1.00 0.00 O ATOM 86 CB TYR A 65 10.410 5.861 -8.963 1.00 0.00 C ATOM 87 CG TYR A 65 11.513 6.349 -9.876 1.00 0.00 C ATOM 88 CD1 TYR A 65 12.024 5.534 -10.878 1.00 0.00 C ATOM 89 CD2 TYR A 65 12.043 7.626 -9.736 1.00 0.00 C ATOM 90 CE1 TYR A 65 13.031 5.975 -11.713 1.00 0.00 C ATOM 91 CE2 TYR A 65 13.049 8.076 -10.568 1.00 0.00 C ATOM 92 CZ TYR A 65 13.541 7.247 -11.555 1.00 0.00 C ATOM 93 OH TYR A 65 14.543 7.691 -12.386 1.00 0.00 O ATOM 0 H TYR A 65 9.492 4.918 -6.607 1.00 0.00 H new ATOM 0 HA TYR A 65 10.811 3.751 -8.990 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.499 5.728 -9.546 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.202 6.627 -8.216 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.627 4.538 -11.006 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.662 8.277 -8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 65 13.418 5.327 -12.486 1.00 0.00 H new ATOM 0 HE2 TYR A 65 13.449 9.072 -10.447 1.00 0.00 H new ATOM 0 HH TYR A 65 14.788 8.608 -12.142 1.00 0.00 H new ATOM 103 N GLN A 66 12.038 4.822 -6.220 1.00 0.00 N ATOM 104 CA GLN A 66 13.251 4.947 -5.422 1.00 0.00 C ATOM 105 C GLN A 66 13.705 3.587 -4.904 1.00 0.00 C ATOM 106 O GLN A 66 14.484 3.502 -3.954 1.00 0.00 O ATOM 107 CB GLN A 66 13.019 5.901 -4.249 1.00 0.00 C ATOM 108 CG GLN A 66 11.933 5.436 -3.292 1.00 0.00 C ATOM 109 CD GLN A 66 11.931 6.211 -1.990 1.00 0.00 C ATOM 110 OE1 GLN A 66 10.909 6.767 -1.586 1.00 0.00 O ATOM 111 NE2 GLN A 66 13.079 6.253 -1.323 1.00 0.00 N ATOM 0 H GLN A 66 11.173 4.864 -5.682 1.00 0.00 H new ATOM 0 HA GLN A 66 14.036 5.352 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.952 6.019 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.752 6.884 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.961 5.540 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.071 4.376 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.902 5.778 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.137 6.760 -0.440 1.00 0.00 H new ATOM 120 N ILE A 67 13.214 2.525 -5.535 1.00 0.00 N ATOM 121 CA ILE A 67 13.571 1.169 -5.138 1.00 0.00 C ATOM 122 C ILE A 67 14.061 0.357 -6.332 1.00 0.00 C ATOM 123 O ILE A 67 13.440 0.334 -7.395 1.00 0.00 O ATOM 124 CB ILE A 67 12.378 0.440 -4.491 1.00 0.00 C ATOM 125 CG1 ILE A 67 11.895 1.203 -3.256 1.00 0.00 C ATOM 126 CG2 ILE A 67 12.765 -0.984 -4.122 1.00 0.00 C ATOM 127 CD1 ILE A 67 12.932 1.297 -2.159 1.00 0.00 C ATOM 0 H ILE A 67 12.568 2.578 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 67 14.374 1.256 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 67 11.562 0.399 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.600 2.209 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 67 11.004 0.713 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.912 -1.486 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.066 -1.523 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.595 -0.964 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.520 1.851 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.210 0.294 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.815 1.814 -2.536 1.00 0.00 H new ATOM 139 N PRO A 68 15.201 -0.326 -6.155 1.00 0.00 N ATOM 140 CA PRO A 68 15.949 -0.306 -4.895 1.00 0.00 C ATOM 141 C PRO A 68 16.604 1.046 -4.631 1.00 0.00 C ATOM 142 O PRO A 68 16.474 1.608 -3.543 1.00 0.00 O ATOM 143 CB PRO A 68 17.014 -1.386 -5.096 1.00 0.00 C ATOM 144 CG PRO A 68 17.195 -1.468 -6.573 1.00 0.00 C ATOM 145 CD PRO A 68 15.848 -1.172 -7.172 1.00 0.00 C ATOM 0 HA PRO A 68 15.303 -0.481 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.946 -1.121 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.692 -2.342 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 68 17.941 -0.750 -6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 68 17.545 -2.457 -6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 15.938 -0.655 -8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 68 15.281 -2.084 -7.356 1.00 0.00 H new ATOM 153 N TYR A 69 17.306 1.563 -5.633 1.00 0.00 N ATOM 154 CA TYR A 69 17.983 2.848 -5.508 1.00 0.00 C ATOM 155 C TYR A 69 17.815 3.678 -6.777 1.00 0.00 C ATOM 156 O TYR A 69 17.773 3.141 -7.885 1.00 0.00 O ATOM 157 CB TYR A 69 19.470 2.639 -5.216 1.00 0.00 C ATOM 158 CG TYR A 69 20.262 2.165 -6.414 1.00 0.00 C ATOM 159 CD1 TYR A 69 20.311 0.818 -6.750 1.00 0.00 C ATOM 160 CD2 TYR A 69 20.961 3.065 -7.210 1.00 0.00 C ATOM 161 CE1 TYR A 69 21.034 0.380 -7.843 1.00 0.00 C ATOM 162 CE2 TYR A 69 21.685 2.636 -8.305 1.00 0.00 C ATOM 163 CZ TYR A 69 21.718 1.293 -8.618 1.00 0.00 C ATOM 164 OH TYR A 69 22.439 0.862 -9.708 1.00 0.00 O ATOM 0 H TYR A 69 17.421 1.112 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 69 17.529 3.389 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.896 3.576 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.575 1.912 -4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 69 19.775 0.101 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.938 4.117 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.063 -0.671 -8.089 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.223 3.348 -8.913 1.00 0.00 H new ATOM 0 HH TYR A 69 22.860 1.631 -10.146 1.00 0.00 H new ATOM 174 N THR A 70 17.718 4.993 -6.608 1.00 0.00 N ATOM 175 CA THR A 70 17.554 5.899 -7.738 1.00 0.00 C ATOM 176 C THR A 70 18.852 6.637 -8.044 1.00 0.00 C ATOM 177 O THR A 70 19.715 6.808 -7.183 1.00 0.00 O ATOM 178 CB THR A 70 16.441 6.930 -7.473 1.00 0.00 C ATOM 179 OG1 THR A 70 16.084 6.922 -6.086 1.00 0.00 O ATOM 180 CG2 THR A 70 15.213 6.630 -8.319 1.00 0.00 C ATOM 0 H THR A 70 17.750 5.454 -5.699 1.00 0.00 H new ATOM 0 HA THR A 70 17.276 5.287 -8.596 1.00 0.00 H new ATOM 0 HB THR A 70 16.818 7.916 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.377 7.582 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.440 7.371 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.481 6.667 -9.375 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.836 5.637 -8.074 1.00 0.00 H new ATOM 188 N PRO A 71 18.996 7.086 -9.300 1.00 0.00 N ATOM 189 CA PRO A 71 20.186 7.814 -9.749 1.00 0.00 C ATOM 190 C PRO A 71 20.279 9.207 -9.136 1.00 0.00 C ATOM 191 O PRO A 71 21.365 9.776 -9.026 1.00 0.00 O ATOM 192 CB PRO A 71 19.994 7.908 -11.265 1.00 0.00 C ATOM 193 CG PRO A 71 18.521 7.820 -11.466 1.00 0.00 C ATOM 194 CD PRO A 71 18.007 6.917 -10.379 1.00 0.00 C ATOM 0 HA PRO A 71 21.107 7.312 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.392 8.844 -11.657 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.513 7.100 -11.781 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.059 8.806 -11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.285 7.418 -12.451 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.007 7.206 -10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 71 17.948 5.881 -10.712 1.00 0.00 H new ATOM 202 N SER A 72 19.133 9.751 -8.738 1.00 0.00 N ATOM 203 CA SER A 72 19.085 11.080 -8.140 1.00 0.00 C ATOM 204 C SER A 72 19.621 11.052 -6.712 1.00 0.00 C ATOM 205 O SER A 72 20.200 12.028 -6.236 1.00 0.00 O ATOM 206 CB SER A 72 17.651 11.614 -8.148 1.00 0.00 C ATOM 207 OG SER A 72 17.635 13.029 -8.224 1.00 0.00 O ATOM 0 H SER A 72 18.226 9.292 -8.819 1.00 0.00 H new ATOM 0 HA SER A 72 19.715 11.742 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.108 11.195 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.133 11.289 -7.245 1.00 0.00 H new ATOM 0 HG SER A 72 16.708 13.346 -8.229 1.00 0.00 H new ATOM 213 N GLU A 73 19.424 9.925 -6.034 1.00 0.00 N ATOM 214 CA GLU A 73 19.886 9.770 -4.660 1.00 0.00 C ATOM 215 C GLU A 73 21.396 9.969 -4.568 1.00 0.00 C ATOM 216 O GLU A 73 21.888 10.689 -3.698 1.00 0.00 O ATOM 217 CB GLU A 73 19.509 8.387 -4.124 1.00 0.00 C ATOM 218 CG GLU A 73 18.031 8.064 -4.262 1.00 0.00 C ATOM 219 CD GLU A 73 17.173 8.818 -3.265 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.674 9.797 -2.674 1.00 0.00 O ATOM 221 OE2 GLU A 73 16.001 8.429 -3.077 1.00 0.00 O ATOM 0 H GLU A 73 18.948 9.107 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 73 19.399 10.532 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.089 7.631 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.789 8.325 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.703 8.305 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.883 6.993 -4.126 1.00 0.00 H new ATOM 228 N LEU A 74 22.127 9.325 -5.472 1.00 0.00 N ATOM 229 CA LEU A 74 23.582 9.429 -5.494 1.00 0.00 C ATOM 230 C LEU A 74 24.021 10.879 -5.669 1.00 0.00 C ATOM 231 O LEU A 74 24.836 11.387 -4.899 1.00 0.00 O ATOM 232 CB LEU A 74 24.157 8.571 -6.623 1.00 0.00 C ATOM 233 CG LEU A 74 23.817 7.081 -6.573 1.00 0.00 C ATOM 234 CD1 LEU A 74 23.596 6.632 -5.137 1.00 0.00 C ATOM 235 CD2 LEU A 74 22.589 6.786 -7.421 1.00 0.00 C ATOM 0 H LEU A 74 21.736 8.726 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 74 23.962 9.066 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.804 8.972 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.242 8.676 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 74 24.659 6.522 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.355 5.569 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 24.502 6.807 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.772 7.197 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 74 22.362 5.721 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 74 21.740 7.355 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 74 22.784 7.070 -8.455 1.00 0.00 H new ATOM 247 N GLU A 75 23.474 11.540 -6.684 1.00 0.00 N ATOM 248 CA GLU A 75 23.809 12.933 -6.958 1.00 0.00 C ATOM 249 C GLU A 75 23.488 13.816 -5.756 1.00 0.00 C ATOM 250 O GLU A 75 24.255 14.713 -5.409 1.00 0.00 O ATOM 251 CB GLU A 75 23.049 13.431 -8.189 1.00 0.00 C ATOM 252 CG GLU A 75 23.322 12.618 -9.443 1.00 0.00 C ATOM 253 CD GLU A 75 24.549 13.096 -10.193 1.00 0.00 C ATOM 254 OE1 GLU A 75 25.174 14.080 -9.744 1.00 0.00 O ATOM 255 OE2 GLU A 75 24.885 12.486 -11.230 1.00 0.00 O ATOM 0 H GLU A 75 22.797 11.134 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 75 24.880 12.991 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.980 13.410 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.317 14.471 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.452 11.571 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.455 12.671 -10.101 1.00 0.00 H new ATOM 262 N GLU A 76 22.347 13.554 -5.125 1.00 0.00 N ATOM 263 CA GLU A 76 21.924 14.326 -3.962 1.00 0.00 C ATOM 264 C GLU A 76 22.844 14.068 -2.773 1.00 0.00 C ATOM 265 O GLU A 76 23.130 14.972 -1.987 1.00 0.00 O ATOM 266 CB GLU A 76 20.481 13.979 -3.590 1.00 0.00 C ATOM 267 CG GLU A 76 19.858 14.948 -2.599 1.00 0.00 C ATOM 268 CD GLU A 76 18.343 14.968 -2.676 1.00 0.00 C ATOM 269 OE1 GLU A 76 17.807 15.527 -3.655 1.00 0.00 O ATOM 270 OE2 GLU A 76 17.695 14.424 -1.758 1.00 0.00 O ATOM 0 H GLU A 76 21.700 12.814 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 76 21.981 15.384 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.876 13.960 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.455 12.974 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.163 14.675 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.241 15.951 -2.788 1.00 0.00 H new ATOM 277 N LEU A 77 23.303 12.828 -2.646 1.00 0.00 N ATOM 278 CA LEU A 77 24.191 12.449 -1.553 1.00 0.00 C ATOM 279 C LEU A 77 25.538 13.154 -1.675 1.00 0.00 C ATOM 280 O LEU A 77 25.998 13.800 -0.734 1.00 0.00 O ATOM 281 CB LEU A 77 24.395 10.933 -1.537 1.00 0.00 C ATOM 282 CG LEU A 77 24.476 10.280 -0.157 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.625 10.871 0.646 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.161 10.446 0.589 1.00 0.00 C ATOM 0 H LEU A 77 23.075 12.068 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 77 23.725 12.756 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.576 10.471 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.313 10.705 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 77 24.663 9.214 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.667 10.394 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.563 10.700 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.469 11.943 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.237 9.975 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.944 11.507 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.359 9.975 0.021 1.00 0.00 H new ATOM 296 N GLN A 78 26.163 13.026 -2.841 1.00 0.00 N ATOM 297 CA GLN A 78 27.457 13.652 -3.086 1.00 0.00 C ATOM 298 C GLN A 78 27.371 15.165 -2.909 1.00 0.00 C ATOM 299 O GLN A 78 28.220 15.771 -2.256 1.00 0.00 O ATOM 300 CB GLN A 78 27.949 13.319 -4.496 1.00 0.00 C ATOM 301 CG GLN A 78 26.960 13.688 -5.589 1.00 0.00 C ATOM 302 CD GLN A 78 27.378 13.173 -6.952 1.00 0.00 C ATOM 303 OE1 GLN A 78 27.706 11.888 -7.025 1.00 0.00 O flip ATOM 304 NE2 GLN A 78 27.406 13.921 -7.930 1.00 0.00 N flip ATOM 0 H GLN A 78 25.795 12.495 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 78 28.167 13.259 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.889 13.841 -4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.161 12.251 -4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.979 13.285 -5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.858 14.772 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.146 14.902 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.689 13.559 -8.841 1.00 0.00 H new ATOM 313 N GLN A 79 26.342 15.767 -3.497 1.00 0.00 N ATOM 314 CA GLN A 79 26.148 17.209 -3.404 1.00 0.00 C ATOM 315 C GLN A 79 26.040 17.652 -1.949 1.00 0.00 C ATOM 316 O GLN A 79 26.679 18.618 -1.535 1.00 0.00 O ATOM 317 CB GLN A 79 24.892 17.626 -4.171 1.00 0.00 C ATOM 318 CG GLN A 79 25.125 17.824 -5.660 1.00 0.00 C ATOM 319 CD GLN A 79 26.009 19.019 -5.958 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.298 18.767 -6.157 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.540 20.156 -6.010 1.00 0.00 N flip ATOM 0 H GLN A 79 25.631 15.279 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 79 27.016 17.696 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.122 16.867 -4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.508 18.553 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.582 16.926 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.165 17.953 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.544 20.304 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.148 20.950 -6.212 1.00 0.00 H new ATOM 330 N ASN A 80 25.226 16.938 -1.177 1.00 0.00 N ATOM 331 CA ASN A 80 25.033 17.258 0.232 1.00 0.00 C ATOM 332 C ASN A 80 26.333 17.084 1.012 1.00 0.00 C ATOM 333 O ASN A 80 26.583 17.794 1.987 1.00 0.00 O ATOM 334 CB ASN A 80 23.942 16.370 0.834 1.00 0.00 C ATOM 335 CG ASN A 80 22.554 16.950 0.641 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.295 18.100 0.997 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.653 16.154 0.076 1.00 0.00 N ATOM 0 H ASN A 80 24.690 16.134 -1.504 1.00 0.00 H new ATOM 0 HA ASN A 80 24.723 18.301 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 80 23.987 15.382 0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.132 16.236 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.702 16.489 -0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.912 15.208 -0.203 1.00 0.00 H new ATOM 344 N ILE A 81 27.156 16.136 0.577 1.00 0.00 N ATOM 345 CA ILE A 81 28.430 15.871 1.233 1.00 0.00 C ATOM 346 C ILE A 81 29.381 17.054 1.086 1.00 0.00 C ATOM 347 O ILE A 81 29.870 17.598 2.076 1.00 0.00 O ATOM 348 CB ILE A 81 29.105 14.610 0.661 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.323 13.358 1.066 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.547 14.518 1.140 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.473 12.211 0.091 1.00 0.00 C ATOM 0 H ILE A 81 26.963 15.539 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 81 28.214 15.711 2.289 1.00 0.00 H new ATOM 0 HB ILE A 81 29.107 14.678 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.658 13.033 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.267 13.612 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.011 13.622 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.098 15.398 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.566 14.468 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.892 11.358 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.111 12.518 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.524 11.930 0.019 1.00 0.00 H new ATOM 363 N LYS A 82 29.638 17.449 -0.156 1.00 0.00 N ATOM 364 CA LYS A 82 30.528 18.569 -0.434 1.00 0.00 C ATOM 365 C LYS A 82 29.894 19.888 -0.003 1.00 0.00 C ATOM 366 O LYS A 82 30.589 20.881 0.214 1.00 0.00 O ATOM 367 CB LYS A 82 30.868 18.619 -1.926 1.00 0.00 C ATOM 368 CG LYS A 82 29.651 18.540 -2.830 1.00 0.00 C ATOM 369 CD LYS A 82 29.829 17.490 -3.914 1.00 0.00 C ATOM 370 CE LYS A 82 30.410 18.093 -5.184 1.00 0.00 C ATOM 371 NZ LYS A 82 30.749 17.048 -6.190 1.00 0.00 N ATOM 0 H LYS A 82 29.242 17.009 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 82 31.445 18.422 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.407 19.543 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.541 17.796 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.769 18.304 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.474 19.512 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.486 16.699 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.867 17.028 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 82 29.694 18.793 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.305 18.664 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 31.142 17.499 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 31.452 16.395 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 29.890 16.519 -6.444 1.00 0.00 H new ATOM 385 N LEU A 83 28.571 19.890 0.122 1.00 0.00 N ATOM 386 CA LEU A 83 27.843 21.087 0.529 1.00 0.00 C ATOM 387 C LEU A 83 27.820 21.218 2.049 1.00 0.00 C ATOM 388 O LEU A 83 27.747 22.324 2.584 1.00 0.00 O ATOM 389 CB LEU A 83 26.413 21.047 -0.013 1.00 0.00 C ATOM 390 CG LEU A 83 26.240 21.450 -1.477 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.888 20.989 -2.001 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.390 22.956 -1.637 1.00 0.00 C ATOM 0 H LEU A 83 27.981 19.077 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 83 28.357 21.954 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.026 20.036 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.795 21.704 0.599 1.00 0.00 H new ATOM 0 HG LEU A 83 27.020 20.963 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.782 21.285 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.818 19.904 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.094 21.448 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.264 23.225 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.633 23.463 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.381 23.261 -1.301 1.00 0.00 H new ATOM 404 N GLU A 84 27.884 20.083 2.737 1.00 0.00 N ATOM 405 CA GLU A 84 27.871 20.073 4.195 1.00 0.00 C ATOM 406 C GLU A 84 29.265 19.791 4.750 1.00 0.00 C ATOM 407 O GLU A 84 29.926 20.684 5.281 1.00 0.00 O ATOM 408 CB GLU A 84 26.883 19.024 4.712 1.00 0.00 C ATOM 409 CG GLU A 84 25.427 19.404 4.503 1.00 0.00 C ATOM 410 CD GLU A 84 24.544 18.993 5.665 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.989 18.158 6.480 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.409 19.505 5.758 1.00 0.00 O ATOM 0 H GLU A 84 27.945 19.159 2.309 1.00 0.00 H new ATOM 0 HA GLU A 84 27.555 21.059 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.078 18.076 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.059 18.865 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.354 20.482 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.061 18.935 3.590 1.00 0.00 H new ATOM 419 N LEU A 85 29.704 18.544 4.622 1.00 0.00 N ATOM 420 CA LEU A 85 31.019 18.143 5.110 1.00 0.00 C ATOM 421 C LEU A 85 32.114 19.017 4.507 1.00 0.00 C ATOM 422 O LEU A 85 31.839 19.901 3.696 1.00 0.00 O ATOM 423 CB LEU A 85 31.283 16.673 4.776 1.00 0.00 C ATOM 424 CG LEU A 85 30.571 15.647 5.658 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.881 15.898 7.126 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.070 15.683 5.414 1.00 0.00 C ATOM 0 H LEU A 85 29.169 17.793 4.185 1.00 0.00 H new ATOM 0 HA LEU A 85 31.032 18.272 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.990 16.498 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.356 16.494 4.839 1.00 0.00 H new ATOM 0 HG LEU A 85 30.937 14.655 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.366 15.158 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.956 15.819 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.544 16.897 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.580 14.946 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.687 16.676 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.866 15.452 4.368 1.00 0.00 H new ATOM 438 N GLU A 86 33.356 18.763 4.909 1.00 0.00 N ATOM 439 CA GLU A 86 34.492 19.527 4.406 1.00 0.00 C ATOM 440 C GLU A 86 35.800 19.008 4.996 1.00 0.00 C ATOM 441 O GLU A 86 35.810 18.043 5.759 1.00 0.00 O ATOM 442 CB GLU A 86 34.323 21.011 4.738 1.00 0.00 C ATOM 443 CG GLU A 86 33.990 21.275 6.197 1.00 0.00 C ATOM 444 CD GLU A 86 34.076 22.745 6.558 1.00 0.00 C ATOM 445 OE1 GLU A 86 35.186 23.312 6.479 1.00 0.00 O ATOM 446 OE2 GLU A 86 33.033 23.328 6.920 1.00 0.00 O ATOM 0 H GLU A 86 33.601 18.035 5.580 1.00 0.00 H new ATOM 0 HA GLU A 86 34.529 19.406 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.242 21.539 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.533 21.427 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 86 32.984 20.911 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 86 34.673 20.709 6.830 1.00 0.00 H new ATOM 453 N GLY A 87 36.903 19.656 4.635 1.00 0.00 N ATOM 454 CA GLY A 87 38.202 19.246 5.136 1.00 0.00 C ATOM 455 C GLY A 87 38.468 17.769 4.919 1.00 0.00 C ATOM 456 O GLY A 87 38.606 17.316 3.782 1.00 0.00 O ATOM 0 H GLY A 87 36.920 20.458 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 87 38.979 19.828 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.265 19.471 6.201 1.00 0.00 H new ATOM 460 N LYS A 88 38.541 17.016 6.010 1.00 0.00 N ATOM 461 CA LYS A 88 38.792 15.582 5.935 1.00 0.00 C ATOM 462 C LYS A 88 37.528 14.790 6.255 1.00 0.00 C ATOM 463 O LYS A 88 37.575 13.789 6.969 1.00 0.00 O ATOM 464 CB LYS A 88 39.911 15.188 6.902 1.00 0.00 C ATOM 465 CG LYS A 88 40.861 14.144 6.341 1.00 0.00 C ATOM 466 CD LYS A 88 40.489 12.745 6.803 1.00 0.00 C ATOM 467 CE LYS A 88 41.687 11.809 6.767 1.00 0.00 C ATOM 468 NZ LYS A 88 42.775 12.266 7.675 1.00 0.00 N ATOM 0 H LYS A 88 38.430 17.375 6.958 1.00 0.00 H new ATOM 0 HA LYS A 88 39.100 15.346 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.480 16.079 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.467 14.806 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 88 40.845 14.185 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.880 14.372 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 88 40.091 12.789 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.697 12.349 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 88 41.373 10.805 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 88 42.068 11.745 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 43.327 11.445 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.398 12.925 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 42.361 12.748 8.498 1.00 0.00 H new ATOM 482 N GLU A 89 36.399 15.245 5.720 1.00 0.00 N ATOM 483 CA GLU A 89 35.122 14.578 5.949 1.00 0.00 C ATOM 484 C GLU A 89 34.398 14.323 4.630 1.00 0.00 C ATOM 485 O GLU A 89 34.017 13.192 4.329 1.00 0.00 O ATOM 486 CB GLU A 89 34.240 15.420 6.873 1.00 0.00 C ATOM 487 CG GLU A 89 35.000 16.061 8.022 1.00 0.00 C ATOM 488 CD GLU A 89 35.617 15.038 8.956 1.00 0.00 C ATOM 489 OE1 GLU A 89 35.089 13.909 9.032 1.00 0.00 O ATOM 490 OE2 GLU A 89 36.629 15.368 9.610 1.00 0.00 O ATOM 0 H GLU A 89 36.343 16.072 5.126 1.00 0.00 H new ATOM 0 HA GLU A 89 35.322 13.618 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 89 33.757 16.202 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.448 14.790 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.785 16.701 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 89 34.324 16.702 8.587 1.00 0.00 H new ATOM 497 N GLN A 90 34.212 15.382 3.849 1.00 0.00 N ATOM 498 CA GLN A 90 33.533 15.272 2.563 1.00 0.00 C ATOM 499 C GLN A 90 34.346 14.428 1.588 1.00 0.00 C ATOM 500 O GLN A 90 33.789 13.758 0.719 1.00 0.00 O ATOM 501 CB GLN A 90 33.288 16.662 1.972 1.00 0.00 C ATOM 502 CG GLN A 90 34.564 17.394 1.590 1.00 0.00 C ATOM 503 CD GLN A 90 34.299 18.635 0.761 1.00 0.00 C ATOM 504 OE1 GLN A 90 33.354 19.454 1.207 1.00 0.00 O flip ATOM 505 NE2 GLN A 90 34.937 18.855 -0.270 1.00 0.00 N flip ATOM 0 H GLN A 90 34.522 16.325 4.084 1.00 0.00 H new ATOM 0 HA GLN A 90 32.574 14.780 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.656 16.566 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.737 17.263 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.102 17.675 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.212 16.719 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 90 35.655 18.198 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 90 34.747 19.694 -0.818 1.00 0.00 H new ATOM 514 N GLU A 91 35.666 14.465 1.738 1.00 0.00 N ATOM 515 CA GLU A 91 36.555 13.703 0.869 1.00 0.00 C ATOM 516 C GLU A 91 36.237 12.212 0.937 1.00 0.00 C ATOM 517 O GLU A 91 36.009 11.567 -0.087 1.00 0.00 O ATOM 518 CB GLU A 91 38.015 13.943 1.260 1.00 0.00 C ATOM 519 CG GLU A 91 38.351 15.407 1.489 1.00 0.00 C ATOM 520 CD GLU A 91 38.078 16.266 0.269 1.00 0.00 C ATOM 521 OE1 GLU A 91 38.577 15.921 -0.822 1.00 0.00 O ATOM 522 OE2 GLU A 91 37.367 17.283 0.407 1.00 0.00 O ATOM 0 H GLU A 91 36.143 15.014 2.453 1.00 0.00 H new ATOM 0 HA GLU A 91 36.400 14.043 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.236 13.382 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.662 13.549 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.769 15.782 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 91 39.402 15.496 1.764 1.00 0.00 H new ATOM 529 N LEU A 92 36.224 11.671 2.151 1.00 0.00 N ATOM 530 CA LEU A 92 35.934 10.256 2.354 1.00 0.00 C ATOM 531 C LEU A 92 34.559 9.897 1.802 1.00 0.00 C ATOM 532 O LEU A 92 34.420 8.959 1.017 1.00 0.00 O ATOM 533 CB LEU A 92 36.005 9.910 3.843 1.00 0.00 C ATOM 534 CG LEU A 92 37.407 9.718 4.421 1.00 0.00 C ATOM 535 CD1 LEU A 92 38.142 8.609 3.685 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.195 11.019 4.353 1.00 0.00 C ATOM 0 H LEU A 92 36.411 12.191 3.009 1.00 0.00 H new ATOM 0 HA LEU A 92 36.683 9.676 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.508 10.702 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.436 8.995 4.011 1.00 0.00 H new ATOM 0 HG LEU A 92 37.310 9.429 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 39.138 8.488 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 92 37.588 7.676 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 92 38.228 8.868 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.191 10.864 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.281 11.338 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 92 37.678 11.788 4.927 1.00 0.00 H new ATOM 548 N ALA A 93 33.545 10.650 2.216 1.00 0.00 N ATOM 549 CA ALA A 93 32.182 10.413 1.759 1.00 0.00 C ATOM 550 C ALA A 93 32.107 10.403 0.236 1.00 0.00 C ATOM 551 O ALA A 93 31.650 9.431 -0.367 1.00 0.00 O ATOM 552 CB ALA A 93 31.244 11.468 2.328 1.00 0.00 C ATOM 0 H ALA A 93 33.642 11.429 2.867 1.00 0.00 H new ATOM 0 HA ALA A 93 31.870 9.432 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.229 11.279 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.267 11.426 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.564 12.456 1.997 1.00 0.00 H new ATOM 558 N LEU A 94 32.557 11.490 -0.381 1.00 0.00 N ATOM 559 CA LEU A 94 32.540 11.606 -1.835 1.00 0.00 C ATOM 560 C LEU A 94 33.401 10.523 -2.478 1.00 0.00 C ATOM 561 O LEU A 94 33.076 10.014 -3.550 1.00 0.00 O ATOM 562 CB LEU A 94 33.037 12.988 -2.262 1.00 0.00 C ATOM 563 CG LEU A 94 31.966 14.068 -2.419 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.509 15.424 -1.997 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.463 14.116 -3.854 1.00 0.00 C ATOM 0 H LEU A 94 32.938 12.303 0.103 1.00 0.00 H new ATOM 0 HA LEU A 94 31.512 11.476 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.767 13.332 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.563 12.886 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 94 31.127 13.818 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.733 16.180 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.819 15.383 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.365 15.683 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.701 14.890 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.293 14.342 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 94 31.033 13.151 -4.121 1.00 0.00 H new ATOM 577 N GLU A 95 34.498 10.175 -1.814 1.00 0.00 N ATOM 578 CA GLU A 95 35.404 9.151 -2.321 1.00 0.00 C ATOM 579 C GLU A 95 34.662 7.840 -2.564 1.00 0.00 C ATOM 580 O GLU A 95 34.614 7.340 -3.689 1.00 0.00 O ATOM 581 CB GLU A 95 36.554 8.924 -1.337 1.00 0.00 C ATOM 582 CG GLU A 95 37.574 7.905 -1.817 1.00 0.00 C ATOM 583 CD GLU A 95 38.838 7.904 -0.979 1.00 0.00 C ATOM 584 OE1 GLU A 95 39.016 8.844 -0.176 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.648 6.966 -1.127 1.00 0.00 O ATOM 0 H GLU A 95 34.781 10.586 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 95 35.811 9.500 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 95 37.059 9.873 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.144 8.594 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 95 37.127 6.911 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 95 37.831 8.115 -2.855 1.00 0.00 H new ATOM 592 N LEU A 96 34.086 7.287 -1.502 1.00 0.00 N ATOM 593 CA LEU A 96 33.346 6.034 -1.599 1.00 0.00 C ATOM 594 C LEU A 96 32.169 6.169 -2.560 1.00 0.00 C ATOM 595 O LEU A 96 31.878 5.255 -3.334 1.00 0.00 O ATOM 596 CB LEU A 96 32.845 5.607 -0.218 1.00 0.00 C ATOM 597 CG LEU A 96 32.132 4.255 -0.151 1.00 0.00 C ATOM 598 CD1 LEU A 96 33.054 3.194 0.429 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.857 4.365 0.672 1.00 0.00 C ATOM 0 H LEU A 96 34.117 7.687 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 96 34.021 5.271 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.696 5.581 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.164 6.373 0.152 1.00 0.00 H new ATOM 0 HG LEU A 96 31.862 3.957 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.530 2.239 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.938 3.097 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.356 3.485 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.363 3.394 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.104 4.685 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.190 5.095 0.213 1.00 0.00 H new ATOM 611 N LEU A 97 31.498 7.314 -2.509 1.00 0.00 N ATOM 612 CA LEU A 97 30.354 7.570 -3.377 1.00 0.00 C ATOM 613 C LEU A 97 30.752 7.472 -4.846 1.00 0.00 C ATOM 614 O LEU A 97 30.150 6.723 -5.614 1.00 0.00 O ATOM 615 CB LEU A 97 29.768 8.953 -3.087 1.00 0.00 C ATOM 616 CG LEU A 97 28.263 9.104 -3.308 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.772 10.432 -2.752 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.927 8.987 -4.788 1.00 0.00 C ATOM 0 H LEU A 97 31.726 8.080 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 97 29.598 6.812 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.990 9.210 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.282 9.682 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 97 27.755 8.300 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.699 10.522 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.978 10.477 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.287 11.250 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.851 9.097 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.446 9.769 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.242 8.011 -5.157 1.00 0.00 H new ATOM 630 N ASN A 98 31.773 8.232 -5.229 1.00 0.00 N ATOM 631 CA ASN A 98 32.253 8.229 -6.606 1.00 0.00 C ATOM 632 C ASN A 98 32.899 6.892 -6.954 1.00 0.00 C ATOM 633 O ASN A 98 32.886 6.466 -8.110 1.00 0.00 O ATOM 634 CB ASN A 98 33.257 9.364 -6.820 1.00 0.00 C ATOM 635 CG ASN A 98 32.592 10.646 -7.283 1.00 0.00 C ATOM 636 OD1 ASN A 98 31.712 10.625 -8.143 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.010 11.769 -6.712 1.00 0.00 N ATOM 0 H ASN A 98 32.284 8.857 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 98 31.397 8.381 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.793 9.552 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 98 33.998 9.056 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 98 32.599 12.662 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 98 33.743 11.739 -6.003 1.00 0.00 H new ATOM 644 N TYR A 99 33.462 6.233 -5.947 1.00 0.00 N ATOM 645 CA TYR A 99 34.114 4.944 -6.147 1.00 0.00 C ATOM 646 C TYR A 99 33.100 3.876 -6.545 1.00 0.00 C ATOM 647 O TYR A 99 33.371 3.035 -7.403 1.00 0.00 O ATOM 648 CB TYR A 99 34.848 4.518 -4.874 1.00 0.00 C ATOM 649 CG TYR A 99 36.325 4.840 -4.890 1.00 0.00 C ATOM 650 CD1 TYR A 99 36.774 6.120 -5.191 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.272 3.864 -4.604 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.123 6.418 -5.207 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.622 4.154 -4.616 1.00 0.00 C ATOM 654 CZ TYR A 99 39.043 5.432 -4.919 1.00 0.00 C ATOM 655 OH TYR A 99 40.387 5.725 -4.933 1.00 0.00 O ATOM 0 H TYR A 99 33.480 6.570 -4.984 1.00 0.00 H new ATOM 0 HA TYR A 99 34.836 5.052 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.387 5.009 -4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.720 3.445 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.056 6.895 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.947 2.862 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.455 7.418 -5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.345 3.384 -4.389 1.00 0.00 H new ATOM 0 HH TYR A 99 40.900 4.921 -4.707 1.00 0.00 H new ATOM 665 N LEU A 100 31.931 3.917 -5.917 1.00 0.00 N ATOM 666 CA LEU A 100 30.874 2.954 -6.205 1.00 0.00 C ATOM 667 C LEU A 100 29.522 3.468 -5.719 1.00 0.00 C ATOM 668 O LEU A 100 29.235 3.454 -4.523 1.00 0.00 O ATOM 669 CB LEU A 100 31.188 1.610 -5.546 1.00 0.00 C ATOM 670 CG LEU A 100 30.247 0.455 -5.893 1.00 0.00 C ATOM 671 CD1 LEU A 100 30.078 0.340 -7.400 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.768 -0.851 -5.312 1.00 0.00 C ATOM 0 H LEU A 100 31.691 4.607 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 100 30.824 2.819 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.202 1.321 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.179 1.747 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 100 29.272 0.661 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.405 -0.487 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 100 29.659 1.267 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 100 31.048 0.157 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 100 30.086 -1.661 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.755 -1.064 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.837 -0.765 -4.228 1.00 0.00 H new ATOM 684 N ASN A 101 28.694 3.918 -6.657 1.00 0.00 N ATOM 685 CA ASN A 101 27.372 4.435 -6.324 1.00 0.00 C ATOM 686 C ASN A 101 26.592 3.431 -5.480 1.00 0.00 C ATOM 687 O ASN A 101 25.880 3.808 -4.550 1.00 0.00 O ATOM 688 CB ASN A 101 26.593 4.759 -7.600 1.00 0.00 C ATOM 689 CG ASN A 101 26.987 6.097 -8.195 1.00 0.00 C ATOM 690 OD1 ASN A 101 26.974 7.138 -7.369 1.00 0.00 O flip ATOM 691 ND2 ASN A 101 27.301 6.194 -9.381 1.00 0.00 N flip ATOM 0 H ASN A 101 28.915 3.935 -7.653 1.00 0.00 H new ATOM 0 HA ASN A 101 27.502 5.348 -5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 101 26.764 3.973 -8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 101 25.526 4.763 -7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.297 5.368 -9.979 1.00 0.00 H new ATOM 0 HD22 ASN A 101 27.565 7.101 -9.766 1.00 0.00 H new ATOM 698 N GLU A 102 26.733 2.151 -5.812 1.00 0.00 N ATOM 699 CA GLU A 102 26.041 1.094 -5.084 1.00 0.00 C ATOM 700 C GLU A 102 26.290 1.213 -3.584 1.00 0.00 C ATOM 701 O GLU A 102 25.438 0.856 -2.770 1.00 0.00 O ATOM 702 CB GLU A 102 26.497 -0.280 -5.581 1.00 0.00 C ATOM 703 CG GLU A 102 25.629 -0.843 -6.694 1.00 0.00 C ATOM 704 CD GLU A 102 25.682 -2.357 -6.766 1.00 0.00 C ATOM 705 OE1 GLU A 102 26.735 -2.896 -7.164 1.00 0.00 O ATOM 706 OE2 GLU A 102 24.669 -3.002 -6.422 1.00 0.00 O ATOM 0 H GLU A 102 27.319 1.822 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 102 24.972 1.202 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.525 -0.206 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.498 -0.978 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.597 -0.526 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 102 25.952 -0.426 -7.648 1.00 0.00 H new ATOM 713 N LYS A 103 27.466 1.717 -3.224 1.00 0.00 N ATOM 714 CA LYS A 103 27.830 1.885 -1.822 1.00 0.00 C ATOM 715 C LYS A 103 27.779 3.355 -1.418 1.00 0.00 C ATOM 716 O LYS A 103 28.732 4.101 -1.636 1.00 0.00 O ATOM 717 CB LYS A 103 29.231 1.323 -1.567 1.00 0.00 C ATOM 718 CG LYS A 103 29.230 -0.120 -1.092 1.00 0.00 C ATOM 719 CD LYS A 103 29.427 -1.087 -2.248 1.00 0.00 C ATOM 720 CE LYS A 103 30.799 -1.742 -2.198 1.00 0.00 C ATOM 721 NZ LYS A 103 30.861 -2.964 -3.048 1.00 0.00 N ATOM 0 H LYS A 103 28.183 2.016 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 103 27.109 1.336 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.815 1.394 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.732 1.942 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 103 30.023 -0.263 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 103 28.287 -0.338 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 103 28.654 -1.855 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 103 29.310 -0.556 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 103 31.554 -1.030 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 103 31.039 -2.004 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 31.044 -3.794 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 29.956 -3.088 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 31.627 -2.864 -3.744 1.00 0.00 H new ATOM 735 N GLY A 104 26.660 3.764 -0.828 1.00 0.00 N ATOM 736 CA GLY A 104 26.507 5.143 -0.402 1.00 0.00 C ATOM 737 C GLY A 104 25.106 5.445 0.091 1.00 0.00 C ATOM 738 O GLY A 104 24.824 5.338 1.285 1.00 0.00 O ATOM 0 H GLY A 104 25.857 3.165 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.222 5.356 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.747 5.806 -1.233 1.00 0.00 H new ATOM 742 N PHE A 105 24.226 5.825 -0.829 1.00 0.00 N ATOM 743 CA PHE A 105 22.847 6.147 -0.480 1.00 0.00 C ATOM 744 C PHE A 105 22.237 5.054 0.393 1.00 0.00 C ATOM 745 O PHE A 105 21.718 5.326 1.476 1.00 0.00 O ATOM 746 CB PHE A 105 22.008 6.331 -1.747 1.00 0.00 C ATOM 747 CG PHE A 105 20.534 6.437 -1.480 1.00 0.00 C ATOM 748 CD1 PHE A 105 20.044 7.375 -0.586 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.638 5.598 -2.122 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.688 7.474 -0.337 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.280 5.693 -1.878 1.00 0.00 C ATOM 752 CZ PHE A 105 17.805 6.633 -0.985 1.00 0.00 C ATOM 0 H PHE A 105 24.443 5.918 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 105 22.850 7.079 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.341 7.230 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.188 5.491 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.730 8.037 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.004 4.861 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.319 8.208 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.592 5.033 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.745 6.710 -0.794 1.00 0.00 H new ATOM 762 N LEU A 106 22.303 3.817 -0.087 1.00 0.00 N ATOM 763 CA LEU A 106 21.758 2.681 0.648 1.00 0.00 C ATOM 764 C LEU A 106 22.869 1.735 1.092 1.00 0.00 C ATOM 765 O LEU A 106 22.635 0.547 1.314 1.00 0.00 O ATOM 766 CB LEU A 106 20.746 1.927 -0.216 1.00 0.00 C ATOM 767 CG LEU A 106 19.613 1.225 0.534 1.00 0.00 C ATOM 768 CD1 LEU A 106 18.673 2.245 1.157 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.852 0.295 -0.399 1.00 0.00 C ATOM 0 H LEU A 106 22.729 3.575 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 106 21.255 3.063 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.306 2.631 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.283 1.181 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 106 20.049 0.627 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 106 17.873 1.727 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.227 2.870 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 106 18.244 2.870 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 106 18.050 -0.196 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 106 18.428 0.872 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.532 -0.458 -0.797 1.00 0.00 H new ATOM 781 N SER A 107 24.079 2.271 1.221 1.00 0.00 N ATOM 782 CA SER A 107 25.227 1.474 1.638 1.00 0.00 C ATOM 783 C SER A 107 24.920 0.708 2.921 1.00 0.00 C ATOM 784 O SER A 107 23.886 0.922 3.554 1.00 0.00 O ATOM 785 CB SER A 107 26.448 2.371 1.846 1.00 0.00 C ATOM 786 OG SER A 107 27.547 1.925 1.071 1.00 0.00 O ATOM 0 H SER A 107 24.289 3.253 1.043 1.00 0.00 H new ATOM 0 HA SER A 107 25.444 0.754 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.200 3.397 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.722 2.378 2.901 1.00 0.00 H new ATOM 0 HG SER A 107 28.314 2.516 1.221 1.00 0.00 H new ATOM 792 N LYS A 108 25.827 -0.187 3.299 1.00 0.00 N ATOM 793 CA LYS A 108 25.656 -0.986 4.507 1.00 0.00 C ATOM 794 C LYS A 108 25.909 -0.146 5.755 1.00 0.00 C ATOM 795 O LYS A 108 25.851 1.083 5.710 1.00 0.00 O ATOM 796 CB LYS A 108 26.605 -2.187 4.487 1.00 0.00 C ATOM 797 CG LYS A 108 26.647 -2.906 3.150 1.00 0.00 C ATOM 798 CD LYS A 108 27.976 -2.695 2.444 1.00 0.00 C ATOM 799 CE LYS A 108 27.865 -2.967 0.952 1.00 0.00 C ATOM 800 NZ LYS A 108 28.652 -4.165 0.547 1.00 0.00 N ATOM 0 H LYS A 108 26.688 -0.377 2.786 1.00 0.00 H new ATOM 0 HA LYS A 108 24.627 -1.344 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.610 -1.850 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.301 -2.893 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 108 26.481 -3.972 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 108 25.836 -2.546 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 108 28.315 -1.672 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 108 28.729 -3.352 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 108 26.818 -3.113 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 108 28.216 -2.097 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 28.551 -4.317 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 29.655 -4.015 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 28.300 -5.000 1.057 1.00 0.00 H new ATOM 814 N SER A 109 26.191 -0.817 6.867 1.00 0.00 N ATOM 815 CA SER A 109 26.450 -0.132 8.128 1.00 0.00 C ATOM 816 C SER A 109 27.710 0.723 8.033 1.00 0.00 C ATOM 817 O SER A 109 28.529 0.544 7.132 1.00 0.00 O ATOM 818 CB SER A 109 26.594 -1.146 9.264 1.00 0.00 C ATOM 819 OG SER A 109 25.328 -1.631 9.678 1.00 0.00 O ATOM 0 H SER A 109 26.246 -1.834 6.920 1.00 0.00 H new ATOM 0 HA SER A 109 25.603 0.521 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.216 -1.979 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.103 -0.681 10.108 1.00 0.00 H new ATOM 0 HG SER A 109 25.447 -2.279 10.404 1.00 0.00 H new ATOM 825 N VAL A 110 27.858 1.655 8.970 1.00 0.00 N ATOM 826 CA VAL A 110 29.017 2.538 8.993 1.00 0.00 C ATOM 827 C VAL A 110 30.316 1.740 9.023 1.00 0.00 C ATOM 828 O VAL A 110 31.327 2.161 8.464 1.00 0.00 O ATOM 829 CB VAL A 110 28.980 3.482 10.210 1.00 0.00 C ATOM 830 CG1 VAL A 110 29.052 2.686 11.505 1.00 0.00 C ATOM 831 CG2 VAL A 110 30.111 4.495 10.133 1.00 0.00 C ATOM 0 H VAL A 110 27.189 1.817 9.723 1.00 0.00 H new ATOM 0 HA VAL A 110 28.980 3.132 8.080 1.00 0.00 H new ATOM 0 HB VAL A 110 28.035 4.026 10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 110 29.025 3.369 12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.204 2.004 11.561 1.00 0.00 H new ATOM 0 HG13 VAL A 110 29.979 2.114 11.529 1.00 0.00 H new ATOM 0 HG21 VAL A 110 30.069 5.154 11.001 1.00 0.00 H new ATOM 0 HG22 VAL A 110 31.067 3.972 10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 110 30.008 5.087 9.223 1.00 0.00 H new ATOM 841 N GLU A 111 30.279 0.584 9.679 1.00 0.00 N ATOM 842 CA GLU A 111 31.454 -0.273 9.782 1.00 0.00 C ATOM 843 C GLU A 111 31.916 -0.730 8.401 1.00 0.00 C ATOM 844 O GLU A 111 33.097 -0.637 8.069 1.00 0.00 O ATOM 845 CB GLU A 111 31.150 -1.490 10.658 1.00 0.00 C ATOM 846 CG GLU A 111 30.931 -1.146 12.122 1.00 0.00 C ATOM 847 CD GLU A 111 30.368 -2.308 12.917 1.00 0.00 C ATOM 848 OE1 GLU A 111 30.338 -3.435 12.380 1.00 0.00 O ATOM 849 OE2 GLU A 111 29.957 -2.090 14.076 1.00 0.00 O ATOM 0 H GLU A 111 29.449 0.220 10.147 1.00 0.00 H new ATOM 0 HA GLU A 111 32.255 0.306 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.261 -1.991 10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 111 31.974 -2.199 10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.877 -0.834 12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.250 -0.298 12.194 1.00 0.00 H new ATOM 856 N GLU A 112 30.976 -1.224 7.602 1.00 0.00 N ATOM 857 CA GLU A 112 31.287 -1.697 6.258 1.00 0.00 C ATOM 858 C GLU A 112 32.064 -0.642 5.477 1.00 0.00 C ATOM 859 O GLU A 112 33.210 -0.863 5.085 1.00 0.00 O ATOM 860 CB GLU A 112 30.002 -2.058 5.510 1.00 0.00 C ATOM 861 CG GLU A 112 29.586 -3.509 5.679 1.00 0.00 C ATOM 862 CD GLU A 112 30.666 -4.480 5.244 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.538 -4.077 4.446 1.00 0.00 O ATOM 864 OE2 GLU A 112 30.640 -5.642 5.700 1.00 0.00 O ATOM 0 H GLU A 112 29.993 -1.307 7.862 1.00 0.00 H new ATOM 0 HA GLU A 112 31.908 -2.588 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.195 -1.414 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.139 -1.849 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 112 29.337 -3.692 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 112 28.682 -3.694 5.099 1.00 0.00 H new ATOM 871 N ILE A 113 31.432 0.506 5.253 1.00 0.00 N ATOM 872 CA ILE A 113 32.064 1.595 4.520 1.00 0.00 C ATOM 873 C ILE A 113 33.411 1.962 5.132 1.00 0.00 C ATOM 874 O ILE A 113 34.381 2.216 4.417 1.00 0.00 O ATOM 875 CB ILE A 113 31.168 2.848 4.490 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.852 2.544 3.772 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.893 4.001 3.813 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.629 3.014 4.527 1.00 0.00 C ATOM 0 H ILE A 113 30.483 0.705 5.569 1.00 0.00 H new ATOM 0 HA ILE A 113 32.216 1.242 3.500 1.00 0.00 H new ATOM 0 HB ILE A 113 30.941 3.139 5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.866 3.016 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.777 1.469 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.247 4.879 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.806 4.230 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.146 3.721 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.733 2.765 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.590 2.523 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.681 4.094 4.668 1.00 0.00 H new ATOM 890 N SER A 114 33.465 1.985 6.460 1.00 0.00 N ATOM 891 CA SER A 114 34.694 2.322 7.169 1.00 0.00 C ATOM 892 C SER A 114 35.814 1.352 6.807 1.00 0.00 C ATOM 893 O SER A 114 36.946 1.762 6.550 1.00 0.00 O ATOM 894 CB SER A 114 34.457 2.304 8.680 1.00 0.00 C ATOM 895 OG SER A 114 35.530 1.673 9.357 1.00 0.00 O ATOM 0 H SER A 114 32.672 1.774 7.066 1.00 0.00 H new ATOM 0 HA SER A 114 34.995 3.325 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.342 3.324 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.526 1.780 8.899 1.00 0.00 H new ATOM 0 HG SER A 114 36.323 2.248 9.321 1.00 0.00 H new ATOM 901 N ASP A 115 35.490 0.064 6.787 1.00 0.00 N ATOM 902 CA ASP A 115 36.467 -0.966 6.455 1.00 0.00 C ATOM 903 C ASP A 115 36.906 -0.849 4.999 1.00 0.00 C ATOM 904 O ASP A 115 38.075 -1.057 4.673 1.00 0.00 O ATOM 905 CB ASP A 115 35.884 -2.355 6.716 1.00 0.00 C ATOM 906 CG ASP A 115 36.734 -3.170 7.671 1.00 0.00 C ATOM 907 OD1 ASP A 115 37.977 -3.100 7.567 1.00 0.00 O ATOM 908 OD2 ASP A 115 36.157 -3.877 8.523 1.00 0.00 O ATOM 0 H ASP A 115 34.557 -0.292 6.997 1.00 0.00 H new ATOM 0 HA ASP A 115 37.340 -0.823 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 115 34.879 -2.253 7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.790 -2.890 5.771 1.00 0.00 H new ATOM 913 N VAL A 116 35.960 -0.517 4.126 1.00 0.00 N ATOM 914 CA VAL A 116 36.248 -0.373 2.704 1.00 0.00 C ATOM 915 C VAL A 116 37.071 0.882 2.435 1.00 0.00 C ATOM 916 O VAL A 116 37.903 0.910 1.527 1.00 0.00 O ATOM 917 CB VAL A 116 34.954 -0.314 1.872 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.276 -0.239 0.387 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.071 -1.515 2.175 1.00 0.00 C ATOM 0 H VAL A 116 34.987 -0.343 4.379 1.00 0.00 H new ATOM 0 HA VAL A 116 36.822 -1.251 2.407 1.00 0.00 H new ATOM 0 HB VAL A 116 34.407 0.588 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.349 -0.198 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.865 0.656 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 116 35.845 -1.121 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.161 -1.457 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.607 -2.432 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 116 33.811 -1.518 3.234 1.00 0.00 H new ATOM 929 N LEU A 117 36.833 1.921 3.228 1.00 0.00 N ATOM 930 CA LEU A 117 37.552 3.181 3.076 1.00 0.00 C ATOM 931 C LEU A 117 38.827 3.185 3.914 1.00 0.00 C ATOM 932 O LEU A 117 39.650 4.094 3.805 1.00 0.00 O ATOM 933 CB LEU A 117 36.657 4.353 3.482 1.00 0.00 C ATOM 934 CG LEU A 117 36.539 5.490 2.467 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.124 4.951 1.107 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.548 6.538 2.952 1.00 0.00 C ATOM 0 H LEU A 117 36.147 1.916 3.983 1.00 0.00 H new ATOM 0 HA LEU A 117 37.829 3.289 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.658 3.968 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.035 4.766 4.418 1.00 0.00 H new ATOM 0 HG LEU A 117 37.516 5.962 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 117 36.045 5.775 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 117 36.870 4.239 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.159 4.452 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.477 7.340 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.568 6.079 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 117 35.888 6.947 3.903 1.00 0.00 H new ATOM 948 N ARG A 118 38.983 2.162 4.748 1.00 0.00 N ATOM 949 CA ARG A 118 40.158 2.048 5.604 1.00 0.00 C ATOM 950 C ARG A 118 40.253 3.233 6.560 1.00 0.00 C ATOM 951 O ARG A 118 41.313 3.506 7.123 1.00 0.00 O ATOM 952 CB ARG A 118 41.428 1.962 4.754 1.00 0.00 C ATOM 953 CG ARG A 118 41.381 0.869 3.699 1.00 0.00 C ATOM 954 CD ARG A 118 41.334 -0.514 4.330 1.00 0.00 C ATOM 955 NE ARG A 118 41.091 -1.559 3.339 1.00 0.00 N ATOM 956 CZ ARG A 118 41.288 -2.852 3.572 1.00 0.00 C ATOM 957 NH1 ARG A 118 41.728 -3.256 4.756 1.00 0.00 N ATOM 958 NH2 ARG A 118 41.044 -3.744 2.620 1.00 0.00 N ATOM 0 H ARG A 118 38.311 1.401 4.849 1.00 0.00 H new ATOM 0 HA ARG A 118 40.060 1.136 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.593 2.922 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.282 1.787 5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 118 40.505 1.011 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 118 42.257 0.946 3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 118 42.276 -0.711 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 118 40.549 -0.541 5.086 1.00 0.00 H new ATOM 0 HE ARG A 118 40.752 -1.281 2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 118 41.916 -2.573 5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 118 41.878 -4.249 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 118 40.705 -3.437 1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 118 41.196 -4.736 2.800 1.00 0.00 H new ATOM 972 N CYS A 119 39.138 3.934 6.737 1.00 0.00 N ATOM 973 CA CYS A 119 39.095 5.091 7.624 1.00 0.00 C ATOM 974 C CYS A 119 38.315 4.773 8.895 1.00 0.00 C ATOM 975 O CYS A 119 37.602 3.772 8.964 1.00 0.00 O ATOM 976 CB CYS A 119 38.461 6.285 6.908 1.00 0.00 C ATOM 977 SG CYS A 119 39.332 7.848 7.165 1.00 0.00 S ATOM 0 H CYS A 119 38.252 3.721 6.278 1.00 0.00 H new ATOM 0 HA CYS A 119 40.118 5.344 7.901 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.422 6.075 5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.432 6.395 7.249 1.00 0.00 H new ATOM 0 HG CYS A 119 38.467 8.807 7.317 1.00 0.00 H new ATOM 983 N SER A 120 38.459 5.630 9.901 1.00 0.00 N ATOM 984 CA SER A 120 37.773 5.437 11.173 1.00 0.00 C ATOM 985 C SER A 120 36.259 5.461 10.984 1.00 0.00 C ATOM 986 O SER A 120 35.736 6.224 10.172 1.00 0.00 O ATOM 987 CB SER A 120 38.190 6.519 12.171 1.00 0.00 C ATOM 988 OG SER A 120 39.330 6.118 12.912 1.00 0.00 O ATOM 0 H SER A 120 39.044 6.464 9.860 1.00 0.00 H new ATOM 0 HA SER A 120 38.057 4.461 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 120 38.406 7.445 11.639 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.365 6.728 12.852 1.00 0.00 H new ATOM 0 HG SER A 120 39.577 6.827 13.541 1.00 0.00 H new ATOM 994 N VAL A 121 35.561 4.618 11.739 1.00 0.00 N ATOM 995 CA VAL A 121 34.108 4.542 11.655 1.00 0.00 C ATOM 996 C VAL A 121 33.461 5.839 12.129 1.00 0.00 C ATOM 997 O VAL A 121 32.493 6.313 11.537 1.00 0.00 O ATOM 998 CB VAL A 121 33.558 3.372 12.492 1.00 0.00 C ATOM 999 CG1 VAL A 121 32.044 3.291 12.370 1.00 0.00 C ATOM 1000 CG2 VAL A 121 34.206 2.063 12.067 1.00 0.00 C ATOM 0 H VAL A 121 35.979 3.979 12.415 1.00 0.00 H new ATOM 0 HA VAL A 121 33.860 4.378 10.606 1.00 0.00 H new ATOM 0 HB VAL A 121 33.804 3.551 13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.675 2.458 12.968 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.600 4.220 12.728 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.771 3.137 11.326 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.806 1.247 12.669 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.993 1.876 11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 121 35.284 2.127 12.213 1.00 0.00 H new ATOM 1010 N GLU A 122 34.005 6.407 13.201 1.00 0.00 N ATOM 1011 CA GLU A 122 33.480 7.650 13.755 1.00 0.00 C ATOM 1012 C GLU A 122 33.345 8.715 12.670 1.00 0.00 C ATOM 1013 O GLU A 122 32.347 9.432 12.611 1.00 0.00 O ATOM 1014 CB GLU A 122 34.389 8.159 14.875 1.00 0.00 C ATOM 1015 CG GLU A 122 35.868 8.110 14.529 1.00 0.00 C ATOM 1016 CD GLU A 122 36.737 8.756 15.590 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.203 9.548 16.394 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.952 8.469 15.616 1.00 0.00 O ATOM 0 H GLU A 122 34.808 6.027 13.702 1.00 0.00 H new ATOM 0 HA GLU A 122 32.491 7.446 14.165 1.00 0.00 H new ATOM 0 HB2 GLU A 122 34.115 9.186 15.115 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.214 7.564 15.772 1.00 0.00 H new ATOM 0 HG2 GLU A 122 36.172 7.072 14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 122 36.031 8.613 13.576 1.00 0.00 H new ATOM 1025 N GLU A 123 34.359 8.812 11.816 1.00 0.00 N ATOM 1026 CA GLU A 123 34.355 9.790 10.734 1.00 0.00 C ATOM 1027 C GLU A 123 33.263 9.471 9.717 1.00 0.00 C ATOM 1028 O GLU A 123 32.429 10.320 9.397 1.00 0.00 O ATOM 1029 CB GLU A 123 35.718 9.824 10.041 1.00 0.00 C ATOM 1030 CG GLU A 123 36.111 11.202 9.536 1.00 0.00 C ATOM 1031 CD GLU A 123 36.510 12.142 10.657 1.00 0.00 C ATOM 1032 OE1 GLU A 123 35.635 12.496 11.475 1.00 0.00 O ATOM 1033 OE2 GLU A 123 37.698 12.523 10.716 1.00 0.00 O ATOM 0 H GLU A 123 35.193 8.226 11.852 1.00 0.00 H new ATOM 0 HA GLU A 123 34.151 10.770 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.479 9.471 10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.707 9.129 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.940 11.105 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.276 11.634 8.984 1.00 0.00 H new ATOM 1040 N LEU A 124 33.274 8.243 9.212 1.00 0.00 N ATOM 1041 CA LEU A 124 32.286 7.810 8.230 1.00 0.00 C ATOM 1042 C LEU A 124 30.871 7.953 8.781 1.00 0.00 C ATOM 1043 O LEU A 124 29.924 8.194 8.033 1.00 0.00 O ATOM 1044 CB LEU A 124 32.542 6.358 7.824 1.00 0.00 C ATOM 1045 CG LEU A 124 31.763 5.852 6.609 1.00 0.00 C ATOM 1046 CD1 LEU A 124 30.428 5.263 7.039 1.00 0.00 C ATOM 1047 CD2 LEU A 124 31.553 6.976 5.605 1.00 0.00 C ATOM 0 H LEU A 124 33.956 7.529 9.466 1.00 0.00 H new ATOM 0 HA LEU A 124 32.381 8.448 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.607 6.241 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.306 5.717 8.674 1.00 0.00 H new ATOM 0 HG LEU A 124 32.346 5.066 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.887 4.908 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.600 4.430 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.838 6.028 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.997 6.598 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.991 7.783 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 124 32.520 7.353 5.273 1.00 0.00 H new ATOM 1059 N GLU A 125 30.736 7.805 10.096 1.00 0.00 N ATOM 1060 CA GLU A 125 29.436 7.920 10.747 1.00 0.00 C ATOM 1061 C GLU A 125 28.985 9.376 10.808 1.00 0.00 C ATOM 1062 O GLU A 125 27.830 9.693 10.520 1.00 0.00 O ATOM 1063 CB GLU A 125 29.496 7.333 12.159 1.00 0.00 C ATOM 1064 CG GLU A 125 28.911 8.247 13.223 1.00 0.00 C ATOM 1065 CD GLU A 125 28.795 7.569 14.575 1.00 0.00 C ATOM 1066 OE1 GLU A 125 27.821 6.815 14.778 1.00 0.00 O ATOM 1067 OE2 GLU A 125 29.678 7.793 15.429 1.00 0.00 O ATOM 0 H GLU A 125 31.510 7.606 10.730 1.00 0.00 H new ATOM 0 HA GLU A 125 28.711 7.358 10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.960 6.384 12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.534 7.116 12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.537 9.134 13.318 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.925 8.585 12.904 1.00 0.00 H new ATOM 1074 N LYS A 126 29.903 10.259 11.186 1.00 0.00 N ATOM 1075 CA LYS A 126 29.602 11.682 11.285 1.00 0.00 C ATOM 1076 C LYS A 126 29.198 12.249 9.928 1.00 0.00 C ATOM 1077 O LYS A 126 28.283 13.066 9.832 1.00 0.00 O ATOM 1078 CB LYS A 126 30.814 12.444 11.827 1.00 0.00 C ATOM 1079 CG LYS A 126 31.605 13.172 10.754 1.00 0.00 C ATOM 1080 CD LYS A 126 32.832 13.856 11.334 1.00 0.00 C ATOM 1081 CE LYS A 126 32.449 14.921 12.349 1.00 0.00 C ATOM 1082 NZ LYS A 126 33.647 15.588 12.931 1.00 0.00 N ATOM 0 H LYS A 126 30.863 10.014 11.429 1.00 0.00 H new ATOM 0 HA LYS A 126 28.766 11.804 11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 126 30.476 13.166 12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 126 31.473 11.744 12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 126 31.912 12.465 9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 126 30.968 13.913 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 126 33.473 13.113 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 126 33.411 14.310 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 126 31.814 15.667 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 126 31.862 14.467 13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 33.344 16.307 13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 34.240 14.880 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 34.194 16.043 12.172 1.00 0.00 H new ATOM 1096 N VAL A 127 29.886 11.807 8.879 1.00 0.00 N ATOM 1097 CA VAL A 127 29.597 12.268 7.526 1.00 0.00 C ATOM 1098 C VAL A 127 28.305 11.652 7.000 1.00 0.00 C ATOM 1099 O VAL A 127 27.511 12.321 6.338 1.00 0.00 O ATOM 1100 CB VAL A 127 30.746 11.928 6.559 1.00 0.00 C ATOM 1101 CG1 VAL A 127 32.013 12.670 6.954 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.987 10.426 6.527 1.00 0.00 C ATOM 0 H VAL A 127 30.647 11.131 8.941 1.00 0.00 H new ATOM 0 HA VAL A 127 29.485 13.351 7.578 1.00 0.00 H new ATOM 0 HB VAL A 127 30.462 12.250 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.814 12.417 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.830 13.744 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.304 12.381 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.802 10.203 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.250 10.078 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 127 30.081 9.919 6.193 1.00 0.00 H new ATOM 1112 N ARG A 128 28.101 10.374 7.300 1.00 0.00 N ATOM 1113 CA ARG A 128 26.905 9.667 6.856 1.00 0.00 C ATOM 1114 C ARG A 128 25.653 10.265 7.490 1.00 0.00 C ATOM 1115 O ARG A 128 24.645 10.476 6.816 1.00 0.00 O ATOM 1116 CB ARG A 128 27.007 8.181 7.206 1.00 0.00 C ATOM 1117 CG ARG A 128 27.587 7.330 6.088 1.00 0.00 C ATOM 1118 CD ARG A 128 26.498 6.592 5.327 1.00 0.00 C ATOM 1119 NE ARG A 128 25.729 7.486 4.466 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.579 7.146 3.894 1.00 0.00 C ATOM 1121 NH1 ARG A 128 24.068 5.939 4.090 1.00 0.00 N ATOM 1122 NH2 ARG A 128 23.938 8.016 3.123 1.00 0.00 N ATOM 0 H ARG A 128 28.748 9.807 7.848 1.00 0.00 H new ATOM 0 HA ARG A 128 26.830 9.775 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.626 8.068 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 128 26.015 7.807 7.458 1.00 0.00 H new ATOM 0 HG2 ARG A 128 28.147 7.964 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 128 28.292 6.611 6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 128 26.948 5.805 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 128 25.827 6.105 6.035 1.00 0.00 H new ATOM 0 HE ARG A 128 26.095 8.423 4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 128 24.558 5.268 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 128 23.185 5.681 3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 128 24.328 8.946 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 128 23.055 7.755 2.684 1.00 0.00 H new ATOM 1136 N GLN A 129 25.725 10.536 8.790 1.00 0.00 N ATOM 1137 CA GLN A 129 24.597 11.109 9.514 1.00 0.00 C ATOM 1138 C GLN A 129 24.369 12.561 9.106 1.00 0.00 C ATOM 1139 O GLN A 129 23.232 13.029 9.049 1.00 0.00 O ATOM 1140 CB GLN A 129 24.835 11.021 11.022 1.00 0.00 C ATOM 1141 CG GLN A 129 24.949 9.596 11.539 1.00 0.00 C ATOM 1142 CD GLN A 129 23.607 9.005 11.922 1.00 0.00 C ATOM 1143 OE1 GLN A 129 23.013 8.238 11.163 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.120 9.359 13.106 1.00 0.00 N ATOM 0 H GLN A 129 26.552 10.368 9.362 1.00 0.00 H new ATOM 0 HA GLN A 129 23.705 10.536 9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.748 11.562 11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 129 24.017 11.522 11.540 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.411 8.972 10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.610 9.580 12.406 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.645 9.997 13.703 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.221 8.993 13.418 1.00 0.00 H new ATOM 1153 N LYS A 130 25.457 13.268 8.824 1.00 0.00 N ATOM 1154 CA LYS A 130 25.378 14.667 8.421 1.00 0.00 C ATOM 1155 C LYS A 130 24.728 14.801 7.047 1.00 0.00 C ATOM 1156 O LYS A 130 24.005 15.762 6.782 1.00 0.00 O ATOM 1157 CB LYS A 130 26.774 15.294 8.400 1.00 0.00 C ATOM 1158 CG LYS A 130 27.137 16.012 9.688 1.00 0.00 C ATOM 1159 CD LYS A 130 27.616 17.429 9.421 1.00 0.00 C ATOM 1160 CE LYS A 130 28.756 17.817 10.350 1.00 0.00 C ATOM 1161 NZ LYS A 130 28.261 18.241 11.689 1.00 0.00 N ATOM 0 H LYS A 130 26.405 12.895 8.867 1.00 0.00 H new ATOM 0 HA LYS A 130 24.761 15.194 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.511 14.514 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.834 15.999 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.270 16.038 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.916 15.456 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 130 27.945 17.514 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 130 26.787 18.125 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 130 29.435 16.972 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.330 18.628 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.068 18.497 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 27.633 19.063 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 27.735 17.459 12.128 1.00 0.00 H new ATOM 1175 N VAL A 131 24.990 13.832 6.177 1.00 0.00 N ATOM 1176 CA VAL A 131 24.429 13.840 4.831 1.00 0.00 C ATOM 1177 C VAL A 131 23.074 13.142 4.796 1.00 0.00 C ATOM 1178 O VAL A 131 22.259 13.389 3.907 1.00 0.00 O ATOM 1179 CB VAL A 131 25.373 13.156 3.825 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.751 13.800 3.862 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.465 11.664 4.110 1.00 0.00 C ATOM 0 H VAL A 131 25.588 13.031 6.380 1.00 0.00 H new ATOM 0 HA VAL A 131 24.303 14.885 4.547 1.00 0.00 H new ATOM 0 HB VAL A 131 24.964 13.287 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.404 13.303 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.666 14.856 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 131 27.171 13.703 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 131 26.136 11.197 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.850 11.509 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.475 11.216 4.027 1.00 0.00 H new ATOM 1191 N LEU A 132 22.840 12.269 5.769 1.00 0.00 N ATOM 1192 CA LEU A 132 21.583 11.533 5.851 1.00 0.00 C ATOM 1193 C LEU A 132 20.524 12.346 6.590 1.00 0.00 C ATOM 1194 O LEU A 132 19.325 12.144 6.396 1.00 0.00 O ATOM 1195 CB LEU A 132 21.798 10.193 6.557 1.00 0.00 C ATOM 1196 CG LEU A 132 20.576 9.278 6.647 1.00 0.00 C ATOM 1197 CD1 LEU A 132 21.003 7.819 6.688 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.739 9.625 7.869 1.00 0.00 C ATOM 0 H LEU A 132 23.504 12.053 6.513 1.00 0.00 H new ATOM 0 HA LEU A 132 21.231 11.349 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.592 9.655 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 132 22.154 10.391 7.568 1.00 0.00 H new ATOM 0 HG LEU A 132 19.965 9.431 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 132 20.120 7.183 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.559 7.577 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.636 7.650 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 132 18.874 8.964 7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.341 9.501 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.402 10.659 7.797 1.00 0.00 H new ATOM 1210 N ARG A 133 20.975 13.266 7.436 1.00 0.00 N ATOM 1211 CA ARG A 133 20.067 14.110 8.203 1.00 0.00 C ATOM 1212 C ARG A 133 19.146 14.900 7.277 1.00 0.00 C ATOM 1213 O ARG A 133 18.071 15.343 7.683 1.00 0.00 O ATOM 1214 CB ARG A 133 20.858 15.069 9.094 1.00 0.00 C ATOM 1215 CG ARG A 133 21.588 16.156 8.321 1.00 0.00 C ATOM 1216 CD ARG A 133 21.028 17.534 8.634 1.00 0.00 C ATOM 1217 NE ARG A 133 22.037 18.581 8.489 1.00 0.00 N ATOM 1218 CZ ARG A 133 21.744 19.867 8.332 1.00 0.00 C ATOM 1219 NH1 ARG A 133 20.479 20.263 8.301 1.00 0.00 N ATOM 1220 NH2 ARG A 133 22.718 20.759 8.207 1.00 0.00 N ATOM 0 H ARG A 133 21.964 13.446 7.608 1.00 0.00 H new ATOM 0 HA ARG A 133 19.454 13.464 8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.177 15.536 9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.583 14.498 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 133 22.649 16.129 8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 133 21.504 15.962 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 133 20.190 17.744 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 133 20.639 17.544 9.652 1.00 0.00 H new ATOM 0 HE ARG A 133 23.020 18.309 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 133 19.728 19.579 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 133 20.257 21.251 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 133 23.692 20.457 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 133 22.493 21.746 8.086 1.00 0.00 H new ATOM 1234 N LEU A 134 19.575 15.072 6.032 1.00 0.00 N ATOM 1235 CA LEU A 134 18.790 15.809 5.047 1.00 0.00 C ATOM 1236 C LEU A 134 17.416 15.175 4.861 1.00 0.00 C ATOM 1237 O LEU A 134 16.412 15.874 4.732 1.00 0.00 O ATOM 1238 CB LEU A 134 19.529 15.856 3.708 1.00 0.00 C ATOM 1239 CG LEU A 134 20.410 17.083 3.470 1.00 0.00 C ATOM 1240 CD1 LEU A 134 19.567 18.349 3.448 1.00 0.00 C ATOM 1241 CD2 LEU A 134 21.491 17.178 4.536 1.00 0.00 C ATOM 0 H LEU A 134 20.462 14.711 5.680 1.00 0.00 H new ATOM 0 HA LEU A 134 18.653 16.826 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.152 14.965 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.792 15.802 2.907 1.00 0.00 H new ATOM 0 HG LEU A 134 20.894 16.977 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 134 20.211 19.212 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 134 18.831 18.282 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 134 19.055 18.462 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 134 22.108 18.057 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 134 21.027 17.261 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 134 22.114 16.284 4.503 1.00 0.00 H new ATOM 1253 N GLU A 135 17.380 13.846 4.851 1.00 0.00 N ATOM 1254 CA GLU A 135 16.127 13.118 4.682 1.00 0.00 C ATOM 1255 C GLU A 135 15.670 12.509 6.005 1.00 0.00 C ATOM 1256 O GLU A 135 14.629 12.883 6.544 1.00 0.00 O ATOM 1257 CB GLU A 135 16.289 12.018 3.631 1.00 0.00 C ATOM 1258 CG GLU A 135 17.290 10.944 4.022 1.00 0.00 C ATOM 1259 CD GLU A 135 17.235 9.736 3.107 1.00 0.00 C ATOM 1260 OE1 GLU A 135 16.656 9.849 2.007 1.00 0.00 O ATOM 1261 OE2 GLU A 135 17.773 8.676 3.493 1.00 0.00 O ATOM 0 H GLU A 135 18.202 13.252 4.958 1.00 0.00 H new ATOM 0 HA GLU A 135 15.368 13.824 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.320 11.552 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.603 12.470 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 135 18.295 11.365 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.097 10.628 5.047 1.00 0.00 H new TER 1268 GLU A 135