USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 45 ASN : amide:sc= -3.99! C(o=-10!,f=-15!) USER MOD Set 1.2: A 47 GLN : amide:sc= -6.06! C(o=-10!,f=-14!) USER MOD Single : A 1 GLU N :NH3+ -161:sc= -0.0414 (180deg=-0.508) USER MOD Single : A 2 SER OG : rot 180:sc= -0.356 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.21) USER MOD Single : A 10 THR OG1 : rot 90:sc= 0.0155 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0838 K(o=-0.084,f=-0.8) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.48) USER MOD Single : A 37 SER OG : rot 50:sc= 0.781 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0777 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 48 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.72) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 103:sc= -6.18! USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 63 SER OG : rot -50:sc= 1.31 USER MOD Single : A 68 SER OG : rot 88:sc= 0.217 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00704 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.707 -35.982 9.229 1.00 0.00 N ATOM 2 CA GLU A 1 -0.324 -35.915 7.790 1.00 0.00 C ATOM 3 C GLU A 1 -0.891 -37.127 7.060 1.00 0.00 C ATOM 4 O GLU A 1 -0.169 -38.077 6.761 1.00 0.00 O ATOM 5 CB GLU A 1 1.201 -35.899 7.672 1.00 0.00 C ATOM 6 CG GLU A 1 1.756 -34.658 8.375 1.00 0.00 C ATOM 7 CD GLU A 1 3.269 -34.589 8.195 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.830 -35.550 7.694 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.844 -33.577 8.562 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.614 -35.039 9.657 1.00 0.00 H new ATOM 0 H2 GLU A 1 -1.692 -36.304 9.311 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.082 -36.650 9.724 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.727 -35.007 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.620 -36.801 8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.495 -35.897 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.292 -33.760 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.509 -34.690 9.436 1.00 0.00 H new ATOM 18 N SER A 2 -2.189 -37.088 6.777 1.00 0.00 N ATOM 19 CA SER A 2 -2.843 -38.191 6.083 1.00 0.00 C ATOM 20 C SER A 2 -2.397 -38.241 4.622 1.00 0.00 C ATOM 21 O SER A 2 -1.864 -37.264 4.095 1.00 0.00 O ATOM 22 CB SER A 2 -4.360 -38.022 6.150 1.00 0.00 C ATOM 23 OG SER A 2 -4.925 -39.120 6.855 1.00 0.00 O ATOM 0 H SER A 2 -2.805 -36.311 7.015 1.00 0.00 H new ATOM 0 HA SER A 2 -2.561 -39.124 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.611 -37.086 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.776 -37.968 5.144 1.00 0.00 H new ATOM 0 HG SER A 2 -5.898 -39.013 6.901 1.00 0.00 H new ATOM 29 N PRO A 3 -2.603 -39.354 3.962 1.00 0.00 N ATOM 30 CA PRO A 3 -2.213 -39.523 2.532 1.00 0.00 C ATOM 31 C PRO A 3 -3.073 -38.675 1.598 1.00 0.00 C ATOM 32 O PRO A 3 -2.644 -38.311 0.502 1.00 0.00 O ATOM 33 CB PRO A 3 -2.426 -41.015 2.264 1.00 0.00 C ATOM 34 CG PRO A 3 -3.421 -41.464 3.282 1.00 0.00 C ATOM 35 CD PRO A 3 -3.233 -40.568 4.505 1.00 0.00 C ATOM 0 HA PRO A 3 -1.189 -39.198 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.796 -41.183 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.491 -41.568 2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.436 -41.381 2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.264 -42.511 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.185 -40.343 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.602 -41.044 5.256 1.00 0.00 H new ATOM 43 N LYS A 4 -4.288 -38.367 2.038 1.00 0.00 N ATOM 44 CA LYS A 4 -5.202 -37.564 1.233 1.00 0.00 C ATOM 45 C LYS A 4 -4.788 -36.096 1.250 1.00 0.00 C ATOM 46 O LYS A 4 -5.353 -35.275 0.526 1.00 0.00 O ATOM 47 CB LYS A 4 -6.629 -37.702 1.769 1.00 0.00 C ATOM 48 CG LYS A 4 -7.106 -39.145 1.589 1.00 0.00 C ATOM 49 CD LYS A 4 -8.577 -39.253 1.999 1.00 0.00 C ATOM 50 CE LYS A 4 -9.026 -40.714 1.913 1.00 0.00 C ATOM 51 NZ LYS A 4 -8.817 -41.375 3.233 1.00 0.00 N ATOM 0 H LYS A 4 -4.661 -38.659 2.941 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.163 -37.926 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.661 -37.426 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.295 -37.019 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.984 -39.453 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.499 -39.818 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.711 -38.880 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.193 -38.633 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.077 -40.767 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.461 -41.235 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.122 -42.368 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.809 -41.336 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.375 -40.883 3.960 1.00 0.00 H new ATOM 65 N GLU A 5 -3.800 -35.771 2.077 1.00 0.00 N ATOM 66 CA GLU A 5 -3.321 -34.397 2.175 1.00 0.00 C ATOM 67 C GLU A 5 -2.354 -34.085 1.037 1.00 0.00 C ATOM 68 O GLU A 5 -1.621 -34.960 0.577 1.00 0.00 O ATOM 69 CB GLU A 5 -2.620 -34.183 3.519 1.00 0.00 C ATOM 70 CG GLU A 5 -3.606 -34.448 4.659 1.00 0.00 C ATOM 71 CD GLU A 5 -4.716 -33.401 4.644 1.00 0.00 C ATOM 72 OE1 GLU A 5 -4.529 -32.377 4.009 1.00 0.00 O ATOM 73 OE2 GLU A 5 -5.735 -33.639 5.271 1.00 0.00 O ATOM 0 H GLU A 5 -3.319 -36.434 2.684 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.177 -33.726 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.762 -34.850 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.239 -33.164 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.034 -35.445 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.084 -34.423 5.615 1.00 0.00 H new ATOM 80 N HIS A 6 -2.361 -32.831 0.589 1.00 0.00 N ATOM 81 CA HIS A 6 -1.480 -32.411 -0.496 1.00 0.00 C ATOM 82 C HIS A 6 -0.303 -31.608 0.048 1.00 0.00 C ATOM 83 O HIS A 6 -0.381 -31.029 1.132 1.00 0.00 O ATOM 84 CB HIS A 6 -2.257 -31.562 -1.504 1.00 0.00 C ATOM 85 CG HIS A 6 -3.689 -32.017 -1.548 1.00 0.00 C ATOM 86 ND1 HIS A 6 -4.042 -33.322 -1.855 1.00 0.00 N ATOM 87 CD2 HIS A 6 -4.870 -31.352 -1.326 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.385 -33.400 -1.810 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.939 -32.227 -1.492 1.00 0.00 N ATOM 0 H HIS A 6 -2.962 -32.094 0.958 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.098 -33.303 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.208 -30.510 -1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.806 -31.650 -2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.956 -30.308 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.946 -34.301 -2.007 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.932 -32.018 -1.392 1.00 0.00 H new ATOM 98 N ASP A 7 0.788 -31.581 -0.710 1.00 0.00 N ATOM 99 CA ASP A 7 1.979 -30.850 -0.297 1.00 0.00 C ATOM 100 C ASP A 7 1.695 -29.354 -0.105 1.00 0.00 C ATOM 101 O ASP A 7 2.050 -28.791 0.932 1.00 0.00 O ATOM 102 CB ASP A 7 3.107 -31.033 -1.321 1.00 0.00 C ATOM 103 CG ASP A 7 2.647 -31.928 -2.468 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.118 -32.991 -2.187 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.829 -31.535 -3.608 1.00 0.00 O ATOM 0 H ASP A 7 0.872 -32.055 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 7 2.290 -31.262 0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.414 -30.062 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.979 -31.472 -0.836 1.00 0.00 H new ATOM 110 N PRO A 8 1.085 -28.690 -1.064 1.00 0.00 N ATOM 111 CA PRO A 8 0.794 -27.232 -0.948 1.00 0.00 C ATOM 112 C PRO A 8 -0.386 -26.932 -0.025 1.00 0.00 C ATOM 113 O PRO A 8 -0.616 -25.779 0.339 1.00 0.00 O ATOM 114 CB PRO A 8 0.495 -26.800 -2.383 1.00 0.00 C ATOM 115 CG PRO A 8 0.030 -28.028 -3.093 1.00 0.00 C ATOM 116 CD PRO A 8 0.608 -29.237 -2.350 1.00 0.00 C ATOM 0 HA PRO A 8 1.630 -26.693 -0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.269 -26.023 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.384 -26.387 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.059 -28.072 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.364 -28.020 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.148 -30.007 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.422 -29.696 -2.912 1.00 0.00 H new ATOM 124 N PHE A 9 -1.128 -27.967 0.355 1.00 0.00 N ATOM 125 CA PHE A 9 -2.274 -27.781 1.239 1.00 0.00 C ATOM 126 C PHE A 9 -1.848 -27.081 2.524 1.00 0.00 C ATOM 127 O PHE A 9 -2.625 -26.340 3.128 1.00 0.00 O ATOM 128 CB PHE A 9 -2.905 -29.132 1.585 1.00 0.00 C ATOM 129 CG PHE A 9 -4.067 -28.914 2.521 1.00 0.00 C ATOM 130 CD1 PHE A 9 -5.327 -28.587 2.007 1.00 0.00 C ATOM 131 CD2 PHE A 9 -3.885 -29.039 3.903 1.00 0.00 C ATOM 132 CE1 PHE A 9 -6.406 -28.384 2.876 1.00 0.00 C ATOM 133 CE2 PHE A 9 -4.963 -28.836 4.772 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.225 -28.509 4.258 1.00 0.00 C ATOM 0 H PHE A 9 -0.960 -28.932 0.069 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.006 -27.163 0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.243 -29.632 0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.165 -29.783 2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.467 -28.491 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.913 -29.292 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.378 -28.131 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.822 -28.931 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.058 -28.354 4.928 1.00 0.00 H new ATOM 144 N THR A 10 -0.611 -27.325 2.938 1.00 0.00 N ATOM 145 CA THR A 10 -0.087 -26.720 4.157 1.00 0.00 C ATOM 146 C THR A 10 -0.326 -25.212 4.162 1.00 0.00 C ATOM 147 O THR A 10 -0.564 -24.620 5.215 1.00 0.00 O ATOM 148 CB THR A 10 1.414 -26.999 4.273 1.00 0.00 C ATOM 149 OG1 THR A 10 1.641 -28.398 4.187 1.00 0.00 O ATOM 150 CG2 THR A 10 1.929 -26.477 5.615 1.00 0.00 C ATOM 0 H THR A 10 0.046 -27.935 2.451 1.00 0.00 H new ATOM 0 HA THR A 10 -0.609 -27.159 5.007 1.00 0.00 H new ATOM 0 HB THR A 10 1.942 -26.495 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.779 -28.650 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.998 -26.676 5.697 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.754 -25.403 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.403 -26.979 6.427 1.00 0.00 H new ATOM 158 N TYR A 11 -0.256 -24.601 2.980 1.00 0.00 N ATOM 159 CA TYR A 11 -0.461 -23.160 2.851 1.00 0.00 C ATOM 160 C TYR A 11 -1.753 -22.858 2.096 1.00 0.00 C ATOM 161 O TYR A 11 -2.030 -23.457 1.057 1.00 0.00 O ATOM 162 CB TYR A 11 0.722 -22.536 2.108 1.00 0.00 C ATOM 163 CG TYR A 11 1.980 -22.714 2.926 1.00 0.00 C ATOM 164 CD1 TYR A 11 2.210 -21.901 4.041 1.00 0.00 C ATOM 165 CD2 TYR A 11 2.914 -23.695 2.568 1.00 0.00 C ATOM 166 CE1 TYR A 11 3.375 -22.067 4.800 1.00 0.00 C ATOM 167 CE2 TYR A 11 4.079 -23.860 3.328 1.00 0.00 C ATOM 168 CZ TYR A 11 4.309 -23.047 4.443 1.00 0.00 C ATOM 169 OH TYR A 11 5.456 -23.212 5.193 1.00 0.00 O ATOM 0 H TYR A 11 -0.060 -25.080 2.101 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.536 -22.733 3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.841 -23.006 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.537 -21.476 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.489 -21.145 4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.736 -24.323 1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.553 -21.439 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.800 -24.615 3.053 1.00 0.00 H new ATOM 0 HH TYR A 11 5.996 -23.935 4.810 1.00 0.00 H new ATOM 179 N ASP A 12 -2.533 -21.922 2.627 1.00 0.00 N ATOM 180 CA ASP A 12 -3.793 -21.539 2.000 1.00 0.00 C ATOM 181 C ASP A 12 -3.929 -20.019 1.976 1.00 0.00 C ATOM 182 O ASP A 12 -4.932 -19.480 1.510 1.00 0.00 O ATOM 183 CB ASP A 12 -4.967 -22.150 2.766 1.00 0.00 C ATOM 184 CG ASP A 12 -6.259 -21.961 1.980 1.00 0.00 C ATOM 185 OD1 ASP A 12 -6.184 -21.477 0.863 1.00 0.00 O ATOM 186 OD2 ASP A 12 -7.306 -22.304 2.507 1.00 0.00 O ATOM 0 H ASP A 12 -2.316 -21.417 3.486 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.801 -21.912 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.787 -23.212 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.056 -21.681 3.746 1.00 0.00 H new ATOM 191 N TYR A 13 -2.906 -19.336 2.481 1.00 0.00 N ATOM 192 CA TYR A 13 -2.907 -17.878 2.515 1.00 0.00 C ATOM 193 C TYR A 13 -2.503 -17.318 1.155 1.00 0.00 C ATOM 194 O TYR A 13 -1.928 -16.235 1.065 1.00 0.00 O ATOM 195 CB TYR A 13 -1.927 -17.382 3.581 1.00 0.00 C ATOM 196 CG TYR A 13 -2.412 -17.789 4.955 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.385 -19.136 5.338 1.00 0.00 C ATOM 198 CD2 TYR A 13 -2.889 -16.818 5.848 1.00 0.00 C ATOM 199 CE1 TYR A 13 -2.834 -19.513 6.609 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.338 -17.197 7.118 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.311 -18.543 7.499 1.00 0.00 C ATOM 202 OH TYR A 13 -3.757 -18.914 8.750 1.00 0.00 O ATOM 0 H TYR A 13 -2.068 -19.768 2.871 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.913 -17.535 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.936 -17.797 3.398 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.834 -16.297 3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.017 -19.885 4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.910 -15.779 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.813 -20.552 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.706 -16.449 7.805 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.053 -18.119 9.241 1.00 0.00 H new ATOM 212 N GLN A 14 -2.795 -18.072 0.102 1.00 0.00 N ATOM 213 CA GLN A 14 -2.443 -17.654 -1.252 1.00 0.00 C ATOM 214 C GLN A 14 -2.932 -16.237 -1.543 1.00 0.00 C ATOM 215 O GLN A 14 -2.167 -15.394 -2.011 1.00 0.00 O ATOM 216 CB GLN A 14 -3.061 -18.618 -2.265 1.00 0.00 C ATOM 217 CG GLN A 14 -2.484 -20.020 -2.061 1.00 0.00 C ATOM 218 CD GLN A 14 -1.036 -20.061 -2.538 1.00 0.00 C ATOM 219 OE1 GLN A 14 -0.712 -19.507 -3.587 1.00 0.00 O ATOM 220 NE2 GLN A 14 -0.141 -20.689 -1.825 1.00 0.00 N ATOM 0 H GLN A 14 -3.272 -18.972 0.157 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.356 -17.667 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.144 -18.639 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.858 -18.275 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.537 -20.294 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.078 -20.750 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.412 -21.148 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.829 -20.721 -2.138 1.00 0.00 H new ATOM 229 N SER A 15 -4.207 -15.981 -1.276 1.00 0.00 N ATOM 230 CA SER A 15 -4.778 -14.663 -1.531 1.00 0.00 C ATOM 231 C SER A 15 -4.493 -13.702 -0.379 1.00 0.00 C ATOM 232 O SER A 15 -4.348 -12.498 -0.588 1.00 0.00 O ATOM 233 CB SER A 15 -6.289 -14.784 -1.737 1.00 0.00 C ATOM 234 OG SER A 15 -6.906 -15.127 -0.503 1.00 0.00 O ATOM 0 H SER A 15 -4.860 -16.661 -0.887 1.00 0.00 H new ATOM 0 HA SER A 15 -4.313 -14.262 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.693 -13.843 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.505 -15.543 -2.488 1.00 0.00 H new ATOM 0 HG SER A 15 -7.875 -15.204 -0.632 1.00 0.00 H new ATOM 240 N LEU A 16 -4.425 -14.234 0.836 1.00 0.00 N ATOM 241 CA LEU A 16 -4.169 -13.401 2.008 1.00 0.00 C ATOM 242 C LEU A 16 -2.678 -13.096 2.154 1.00 0.00 C ATOM 243 O LEU A 16 -2.279 -12.312 3.015 1.00 0.00 O ATOM 244 CB LEU A 16 -4.670 -14.111 3.270 1.00 0.00 C ATOM 245 CG LEU A 16 -5.221 -13.078 4.258 1.00 0.00 C ATOM 246 CD1 LEU A 16 -6.664 -12.732 3.885 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.190 -13.659 5.675 1.00 0.00 C ATOM 0 H LEU A 16 -4.542 -15.227 1.036 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.703 -12.460 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.446 -14.831 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.857 -14.672 3.731 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.608 -12.178 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.055 -11.997 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.690 -12.319 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.276 -13.633 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.582 -12.924 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.803 -14.560 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.163 -13.907 5.944 1.00 0.00 H new ATOM 259 N GLN A 17 -1.860 -13.725 1.317 1.00 0.00 N ATOM 260 CA GLN A 17 -0.414 -13.514 1.378 1.00 0.00 C ATOM 261 C GLN A 17 -0.034 -12.105 0.928 1.00 0.00 C ATOM 262 O GLN A 17 0.716 -11.409 1.613 1.00 0.00 O ATOM 263 CB GLN A 17 0.303 -14.535 0.489 1.00 0.00 C ATOM 264 CG GLN A 17 0.908 -15.641 1.358 1.00 0.00 C ATOM 265 CD GLN A 17 2.144 -15.118 2.083 1.00 0.00 C ATOM 266 OE1 GLN A 17 3.021 -14.519 1.460 1.00 0.00 O ATOM 267 NE2 GLN A 17 2.267 -15.312 3.368 1.00 0.00 N ATOM 0 H GLN A 17 -2.166 -14.378 0.596 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.106 -13.641 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.398 -14.964 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.086 -14.043 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.172 -15.989 2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.175 -16.497 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.538 -15.809 3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.092 -14.967 3.859 1.00 0.00 H new ATOM 276 N ILE A 18 -0.535 -11.696 -0.233 1.00 0.00 N ATOM 277 CA ILE A 18 -0.218 -10.374 -0.768 1.00 0.00 C ATOM 278 C ILE A 18 -1.309 -9.357 -0.437 1.00 0.00 C ATOM 279 O ILE A 18 -1.169 -8.170 -0.731 1.00 0.00 O ATOM 280 CB ILE A 18 -0.055 -10.458 -2.288 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.566 -11.805 -2.664 1.00 0.00 C ATOM 282 CG2 ILE A 18 0.859 -9.327 -2.765 1.00 0.00 C ATOM 283 CD1 ILE A 18 0.866 -11.827 -4.163 1.00 0.00 C ATOM 0 H ILE A 18 -1.157 -12.254 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 18 0.712 -10.042 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.032 -10.364 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.483 -11.966 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.115 -12.616 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.976 -9.386 -3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.418 -8.366 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.835 -9.423 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.308 -12.786 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.059 -11.685 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.563 -11.025 -4.406 1.00 0.00 H new ATOM 295 N GLY A 19 -2.396 -9.827 0.161 1.00 0.00 N ATOM 296 CA GLY A 19 -3.508 -8.947 0.511 1.00 0.00 C ATOM 297 C GLY A 19 -3.053 -7.781 1.388 1.00 0.00 C ATOM 298 O GLY A 19 -2.843 -6.668 0.903 1.00 0.00 O ATOM 0 H GLY A 19 -2.533 -10.806 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.966 -8.560 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.274 -9.519 1.035 1.00 0.00 H new ATOM 302 N GLY A 20 -2.925 -8.044 2.684 1.00 0.00 N ATOM 303 CA GLY A 20 -2.520 -7.016 3.639 1.00 0.00 C ATOM 304 C GLY A 20 -1.353 -6.177 3.123 1.00 0.00 C ATOM 305 O GLY A 20 -1.242 -4.994 3.447 1.00 0.00 O ATOM 0 H GLY A 20 -3.096 -8.960 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.368 -6.365 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.238 -7.488 4.580 1.00 0.00 H new ATOM 309 N LEU A 21 -0.474 -6.793 2.339 1.00 0.00 N ATOM 310 CA LEU A 21 0.692 -6.088 1.811 1.00 0.00 C ATOM 311 C LEU A 21 0.304 -5.035 0.774 1.00 0.00 C ATOM 312 O LEU A 21 0.806 -3.910 0.805 1.00 0.00 O ATOM 313 CB LEU A 21 1.655 -7.092 1.169 1.00 0.00 C ATOM 314 CG LEU A 21 1.862 -8.281 2.110 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.908 -9.228 1.516 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.348 -7.780 3.472 1.00 0.00 C ATOM 0 H LEU A 21 -0.544 -7.771 2.056 1.00 0.00 H new ATOM 0 HA LEU A 21 1.172 -5.579 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.255 -7.436 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.610 -6.611 0.959 1.00 0.00 H new ATOM 0 HG LEU A 21 0.918 -8.811 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.055 -10.075 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.564 -9.588 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.851 -8.696 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.495 -8.628 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.291 -7.248 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.605 -7.106 3.898 1.00 0.00 H new ATOM 328 N VAL A 22 -0.563 -5.408 -0.157 1.00 0.00 N ATOM 329 CA VAL A 22 -0.970 -4.483 -1.213 1.00 0.00 C ATOM 330 C VAL A 22 -1.812 -3.324 -0.677 1.00 0.00 C ATOM 331 O VAL A 22 -1.548 -2.162 -0.993 1.00 0.00 O ATOM 332 CB VAL A 22 -1.763 -5.233 -2.284 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.407 -4.225 -3.236 1.00 0.00 C ATOM 334 CG2 VAL A 22 -0.817 -6.142 -3.075 1.00 0.00 C ATOM 0 H VAL A 22 -0.995 -6.331 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.060 -4.062 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.537 -5.836 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.973 -4.757 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.077 -3.573 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.630 -3.625 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.381 -6.677 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.045 -5.538 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.351 -6.859 -2.399 1.00 0.00 H new ATOM 344 N ILE A 23 -2.830 -3.636 0.115 1.00 0.00 N ATOM 345 CA ILE A 23 -3.703 -2.596 0.657 1.00 0.00 C ATOM 346 C ILE A 23 -2.940 -1.657 1.589 1.00 0.00 C ATOM 347 O ILE A 23 -3.140 -0.442 1.557 1.00 0.00 O ATOM 348 CB ILE A 23 -4.872 -3.233 1.413 1.00 0.00 C ATOM 349 CG1 ILE A 23 -4.327 -4.088 2.558 1.00 0.00 C ATOM 350 CG2 ILE A 23 -5.682 -4.113 0.459 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.448 -4.969 3.119 1.00 0.00 C ATOM 0 H ILE A 23 -3.072 -4.587 0.395 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.083 -2.011 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.515 -2.450 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.505 -4.710 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.925 -3.448 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.514 -4.566 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.068 -3.504 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.042 -4.897 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.058 -5.578 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.255 -4.338 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.829 -5.619 2.331 1.00 0.00 H new ATOM 363 N ALA A 24 -2.070 -2.220 2.419 1.00 0.00 N ATOM 364 CA ALA A 24 -1.297 -1.411 3.354 1.00 0.00 C ATOM 365 C ALA A 24 -0.430 -0.402 2.606 1.00 0.00 C ATOM 366 O ALA A 24 -0.349 0.767 2.987 1.00 0.00 O ATOM 367 CB ALA A 24 -0.410 -2.312 4.217 1.00 0.00 C ATOM 0 H ALA A 24 -1.883 -3.222 2.464 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.993 -0.868 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.164 -1.699 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.034 -3.008 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.273 -2.871 3.577 1.00 0.00 H new ATOM 373 N GLY A 25 0.214 -0.860 1.539 1.00 0.00 N ATOM 374 CA GLY A 25 1.068 0.014 0.748 1.00 0.00 C ATOM 375 C GLY A 25 0.267 1.161 0.142 1.00 0.00 C ATOM 376 O GLY A 25 0.753 2.284 0.051 1.00 0.00 O ATOM 0 H GLY A 25 0.162 -1.822 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.865 0.414 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.545 -0.560 -0.046 1.00 0.00 H new ATOM 380 N ILE A 26 -0.962 0.871 -0.276 1.00 0.00 N ATOM 381 CA ILE A 26 -1.813 1.893 -0.878 1.00 0.00 C ATOM 382 C ILE A 26 -2.105 3.024 0.109 1.00 0.00 C ATOM 383 O ILE A 26 -2.065 4.201 -0.255 1.00 0.00 O ATOM 384 CB ILE A 26 -3.124 1.270 -1.356 1.00 0.00 C ATOM 385 CG1 ILE A 26 -2.839 0.373 -2.564 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.098 2.380 -1.759 1.00 0.00 C ATOM 387 CD1 ILE A 26 -4.074 -0.468 -2.891 1.00 0.00 C ATOM 0 H ILE A 26 -1.388 -0.054 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.280 2.314 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.566 0.677 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.566 0.983 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.991 -0.278 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.034 1.937 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.293 3.023 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.662 2.972 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.864 -1.104 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.328 -1.091 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.912 0.190 -3.122 1.00 0.00 H new ATOM 399 N LEU A 27 -2.400 2.666 1.356 1.00 0.00 N ATOM 400 CA LEU A 27 -2.699 3.669 2.377 1.00 0.00 C ATOM 401 C LEU A 27 -1.503 4.600 2.599 1.00 0.00 C ATOM 402 O LEU A 27 -1.656 5.820 2.637 1.00 0.00 O ATOM 403 CB LEU A 27 -3.068 2.971 3.689 1.00 0.00 C ATOM 404 CG LEU A 27 -3.462 4.013 4.737 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.853 3.686 5.285 1.00 0.00 C ATOM 406 CD2 LEU A 27 -2.445 3.987 5.881 1.00 0.00 C ATOM 0 H LEU A 27 -2.439 1.700 1.683 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.540 4.272 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.893 2.278 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.224 2.382 4.048 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.476 5.003 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.134 4.429 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.577 3.699 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.840 2.697 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.722 4.728 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.435 2.997 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.453 4.217 5.492 1.00 0.00 H new ATOM 418 N PHE A 28 -0.320 4.012 2.742 1.00 0.00 N ATOM 419 CA PHE A 28 0.907 4.781 2.957 1.00 0.00 C ATOM 420 C PHE A 28 1.307 5.541 1.692 1.00 0.00 C ATOM 421 O PHE A 28 1.759 6.679 1.765 1.00 0.00 O ATOM 422 CB PHE A 28 2.046 3.840 3.356 1.00 0.00 C ATOM 423 CG PHE A 28 1.996 3.580 4.842 1.00 0.00 C ATOM 424 CD1 PHE A 28 1.020 2.730 5.372 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.929 4.188 5.689 1.00 0.00 C ATOM 426 CE1 PHE A 28 0.976 2.487 6.750 1.00 0.00 C ATOM 427 CE2 PHE A 28 2.886 3.946 7.067 1.00 0.00 C ATOM 428 CZ PHE A 28 1.909 3.095 7.598 1.00 0.00 C ATOM 0 H PHE A 28 -0.182 3.002 2.713 1.00 0.00 H new ATOM 0 HA PHE A 28 0.720 5.500 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.962 2.900 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.006 4.281 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.300 2.261 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.683 4.844 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.222 1.830 7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.606 4.416 7.721 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.875 2.908 8.661 1.00 0.00 H new ATOM 438 N ILE A 29 1.129 4.906 0.538 1.00 0.00 N ATOM 439 CA ILE A 29 1.465 5.540 -0.737 1.00 0.00 C ATOM 440 C ILE A 29 0.638 6.799 -0.870 1.00 0.00 C ATOM 441 O ILE A 29 1.154 7.878 -1.163 1.00 0.00 O ATOM 442 CB ILE A 29 1.171 4.593 -1.900 1.00 0.00 C ATOM 443 CG1 ILE A 29 2.339 3.615 -2.059 1.00 0.00 C ATOM 444 CG2 ILE A 29 1.000 5.399 -3.189 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.937 2.480 -3.003 1.00 0.00 C ATOM 0 H ILE A 29 0.757 3.960 0.457 1.00 0.00 H new ATOM 0 HA ILE A 29 2.528 5.782 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 29 0.253 4.040 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.211 4.137 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.621 3.210 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.790 4.721 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.172 6.098 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.916 5.953 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.770 1.786 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.077 1.951 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.676 2.892 -3.978 1.00 0.00 H new ATOM 457 N LEU A 30 -0.637 6.655 -0.555 1.00 0.00 N ATOM 458 CA LEU A 30 -1.534 7.770 -0.531 1.00 0.00 C ATOM 459 C LEU A 30 -1.005 8.650 0.562 1.00 0.00 C ATOM 460 O LEU A 30 -1.096 9.867 0.514 1.00 0.00 O ATOM 461 CB LEU A 30 -2.970 7.322 -0.225 1.00 0.00 C ATOM 462 CG LEU A 30 -3.771 7.215 -1.527 1.00 0.00 C ATOM 463 CD1 LEU A 30 -4.942 6.248 -1.331 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.317 8.592 -1.908 1.00 0.00 C ATOM 0 H LEU A 30 -1.067 5.763 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.580 8.281 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.959 6.359 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.447 8.034 0.448 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.119 6.847 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.511 6.173 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.560 5.264 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.590 6.618 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.886 8.514 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.966 8.959 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.488 9.286 -2.049 1.00 0.00 H new ATOM 476 N GLY A 31 -0.449 7.982 1.568 1.00 0.00 N ATOM 477 CA GLY A 31 0.107 8.686 2.718 1.00 0.00 C ATOM 478 C GLY A 31 1.164 9.716 2.299 1.00 0.00 C ATOM 479 O GLY A 31 1.085 10.881 2.692 1.00 0.00 O ATOM 0 H GLY A 31 -0.372 6.966 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.695 9.188 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.553 7.966 3.404 1.00 0.00 H new ATOM 483 N ILE A 32 2.155 9.290 1.515 1.00 0.00 N ATOM 484 CA ILE A 32 3.212 10.205 1.081 1.00 0.00 C ATOM 485 C ILE A 32 2.690 11.227 0.072 1.00 0.00 C ATOM 486 O ILE A 32 2.990 12.416 0.173 1.00 0.00 O ATOM 487 CB ILE A 32 4.363 9.424 0.444 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.709 8.202 1.303 1.00 0.00 C ATOM 489 CG2 ILE A 32 5.591 10.331 0.333 1.00 0.00 C ATOM 490 CD1 ILE A 32 4.879 8.619 2.767 1.00 0.00 C ATOM 0 H ILE A 32 2.248 8.334 1.172 1.00 0.00 H new ATOM 0 HA ILE A 32 3.565 10.734 1.966 1.00 0.00 H new ATOM 0 HB ILE A 32 4.061 9.088 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.921 7.454 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.627 7.740 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.413 9.777 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.350 11.195 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.886 10.668 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.125 7.744 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.683 9.351 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.950 9.060 3.130 1.00 0.00 H new ATOM 502 N LEU A 33 1.913 10.761 -0.903 1.00 0.00 N ATOM 503 CA LEU A 33 1.369 11.659 -1.918 1.00 0.00 C ATOM 504 C LEU A 33 0.498 12.724 -1.263 1.00 0.00 C ATOM 505 O LEU A 33 0.616 13.911 -1.565 1.00 0.00 O ATOM 506 CB LEU A 33 0.535 10.869 -2.935 1.00 0.00 C ATOM 507 CG LEU A 33 1.424 9.869 -3.690 1.00 0.00 C ATOM 508 CD1 LEU A 33 0.552 9.027 -4.622 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.477 10.612 -4.522 1.00 0.00 C ATOM 0 H LEU A 33 1.649 9.782 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 33 2.199 12.141 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.268 10.338 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.065 11.554 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 33 1.930 9.229 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.177 8.315 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.191 8.486 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.047 9.679 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.099 9.890 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.980 11.260 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.102 11.215 -3.863 1.00 0.00 H new ATOM 521 N ILE A 34 -0.378 12.284 -0.370 1.00 0.00 N ATOM 522 CA ILE A 34 -1.280 13.204 0.328 1.00 0.00 C ATOM 523 C ILE A 34 -0.506 14.240 1.144 1.00 0.00 C ATOM 524 O ILE A 34 -0.816 15.429 1.100 1.00 0.00 O ATOM 525 CB ILE A 34 -2.211 12.432 1.265 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.266 11.688 0.441 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.905 13.410 2.213 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.943 10.624 1.307 1.00 0.00 C ATOM 0 H ILE A 34 -0.487 11.304 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.864 13.721 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.629 11.714 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.009 12.391 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.800 11.221 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.568 12.861 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.156 13.940 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.486 14.128 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.693 10.097 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.196 9.914 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.423 11.102 2.161 1.00 0.00 H new ATOM 540 N VAL A 35 0.491 13.787 1.897 1.00 0.00 N ATOM 541 CA VAL A 35 1.277 14.702 2.725 1.00 0.00 C ATOM 542 C VAL A 35 1.898 15.810 1.878 1.00 0.00 C ATOM 543 O VAL A 35 1.745 16.994 2.183 1.00 0.00 O ATOM 544 CB VAL A 35 2.380 13.934 3.456 1.00 0.00 C ATOM 545 CG1 VAL A 35 3.253 14.917 4.240 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.746 12.935 4.426 1.00 0.00 C ATOM 0 H VAL A 35 0.773 12.808 1.953 1.00 0.00 H new ATOM 0 HA VAL A 35 0.607 15.158 3.454 1.00 0.00 H new ATOM 0 HB VAL A 35 2.994 13.401 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.039 14.370 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.704 15.632 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.639 15.450 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.530 12.387 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.134 13.471 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.122 12.235 3.871 1.00 0.00 H new ATOM 556 N LEU A 36 2.594 15.424 0.814 1.00 0.00 N ATOM 557 CA LEU A 36 3.228 16.400 -0.065 1.00 0.00 C ATOM 558 C LEU A 36 2.173 17.248 -0.770 1.00 0.00 C ATOM 559 O LEU A 36 2.392 18.428 -1.043 1.00 0.00 O ATOM 560 CB LEU A 36 4.093 15.683 -1.108 1.00 0.00 C ATOM 561 CG LEU A 36 5.499 15.456 -0.547 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.411 14.755 0.810 1.00 0.00 C ATOM 563 CD2 LEU A 36 6.297 14.581 -1.515 1.00 0.00 C ATOM 0 H LEU A 36 2.733 14.451 0.541 1.00 0.00 H new ATOM 0 HA LEU A 36 3.858 17.052 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.640 14.729 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.147 16.277 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 36 5.995 16.419 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.415 14.597 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.843 15.375 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.912 13.793 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.299 14.418 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.795 13.621 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.367 15.079 -2.482 1.00 0.00 H new ATOM 575 N SER A 37 1.031 16.635 -1.064 1.00 0.00 N ATOM 576 CA SER A 37 -0.055 17.335 -1.742 1.00 0.00 C ATOM 577 C SER A 37 -0.564 18.508 -0.910 1.00 0.00 C ATOM 578 O SER A 37 -0.943 19.545 -1.452 1.00 0.00 O ATOM 579 CB SER A 37 -1.207 16.369 -2.014 1.00 0.00 C ATOM 580 OG SER A 37 -0.757 15.333 -2.876 1.00 0.00 O ATOM 0 H SER A 37 0.834 15.659 -0.845 1.00 0.00 H new ATOM 0 HA SER A 37 0.334 17.723 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.571 15.946 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.042 16.900 -2.470 1.00 0.00 H new ATOM 0 HG SER A 37 0.078 14.957 -2.527 1.00 0.00 H new ATOM 586 N ARG A 38 -0.584 18.336 0.407 1.00 0.00 N ATOM 587 CA ARG A 38 -1.063 19.390 1.294 1.00 0.00 C ATOM 588 C ARG A 38 -0.258 20.673 1.102 1.00 0.00 C ATOM 589 O ARG A 38 -0.794 21.776 1.219 1.00 0.00 O ATOM 590 CB ARG A 38 -0.962 18.932 2.752 1.00 0.00 C ATOM 591 CG ARG A 38 -2.152 18.020 3.098 1.00 0.00 C ATOM 592 CD ARG A 38 -3.451 18.832 3.232 1.00 0.00 C ATOM 593 NE ARG A 38 -4.020 18.652 4.562 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.290 18.949 4.811 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.052 19.406 3.855 1.00 0.00 N ATOM 596 NH2 ARG A 38 -5.776 18.784 6.011 1.00 0.00 N ATOM 0 H ARG A 38 -0.278 17.486 0.880 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.105 19.595 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.025 18.398 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.951 19.798 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.271 17.263 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.951 17.493 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.249 19.888 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.168 18.513 2.475 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.433 18.292 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.672 19.535 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.028 19.634 4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.180 18.427 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.752 19.012 6.202 1.00 0.00 H new ATOM 610 N ARG A 39 1.029 20.524 0.811 1.00 0.00 N ATOM 611 CA ARG A 39 1.894 21.683 0.610 1.00 0.00 C ATOM 612 C ARG A 39 1.437 22.497 -0.598 1.00 0.00 C ATOM 613 O ARG A 39 1.627 23.712 -0.646 1.00 0.00 O ATOM 614 CB ARG A 39 3.340 21.229 0.400 1.00 0.00 C ATOM 615 CG ARG A 39 3.847 20.538 1.667 1.00 0.00 C ATOM 616 CD ARG A 39 5.305 20.118 1.470 1.00 0.00 C ATOM 617 NE ARG A 39 6.176 21.288 1.487 1.00 0.00 N ATOM 618 CZ ARG A 39 6.635 21.787 2.631 1.00 0.00 C ATOM 619 NH1 ARG A 39 6.299 21.238 3.766 1.00 0.00 N ATOM 620 NH2 ARG A 39 7.421 22.829 2.617 1.00 0.00 N ATOM 0 H ARG A 39 1.494 19.622 0.709 1.00 0.00 H new ATOM 0 HA ARG A 39 1.834 22.310 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.399 20.546 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.971 22.086 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.763 21.212 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.233 19.665 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.600 19.425 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.413 19.589 0.523 1.00 0.00 H new ATOM 0 HE ARG A 39 6.437 21.731 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.683 20.425 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.652 21.622 4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.682 23.259 1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.774 23.213 3.493 1.00 0.00 H new ATOM 634 N CYS A 40 0.842 21.819 -1.573 1.00 0.00 N ATOM 635 CA CYS A 40 0.369 22.488 -2.781 1.00 0.00 C ATOM 636 C CYS A 40 -0.657 23.570 -2.448 1.00 0.00 C ATOM 637 O CYS A 40 -0.594 24.680 -2.978 1.00 0.00 O ATOM 638 CB CYS A 40 -0.257 21.465 -3.731 1.00 0.00 C ATOM 639 SG CYS A 40 0.942 20.155 -4.083 1.00 0.00 S ATOM 0 H CYS A 40 0.676 20.813 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 40 1.225 22.962 -3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.155 21.040 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.562 21.952 -4.657 1.00 0.00 H new ATOM 0 HG CYS A 40 0.410 19.284 -4.888 1.00 0.00 H new ATOM 645 N ARG A 41 -1.607 23.242 -1.574 1.00 0.00 N ATOM 646 CA ARG A 41 -2.640 24.201 -1.192 1.00 0.00 C ATOM 647 C ARG A 41 -2.018 25.461 -0.600 1.00 0.00 C ATOM 648 O ARG A 41 -2.442 26.577 -0.902 1.00 0.00 O ATOM 649 CB ARG A 41 -3.589 23.573 -0.170 1.00 0.00 C ATOM 650 CG ARG A 41 -4.612 24.617 0.282 1.00 0.00 C ATOM 651 CD ARG A 41 -5.783 23.919 0.974 1.00 0.00 C ATOM 652 NE ARG A 41 -5.317 23.204 2.156 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.175 22.678 3.021 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.459 22.801 2.823 1.00 0.00 N ATOM 655 NH2 ARG A 41 -5.735 22.039 4.070 1.00 0.00 N ATOM 0 H ARG A 41 -1.683 22.331 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.198 24.473 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.098 22.715 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.026 23.205 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.145 25.328 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.970 25.186 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.537 24.653 1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.260 23.223 0.284 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.315 23.106 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.803 23.301 2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.119 22.397 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.731 21.944 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.395 21.635 4.735 1.00 0.00 H new ATOM 669 N CYS A 42 -1.015 25.274 0.246 1.00 0.00 N ATOM 670 CA CYS A 42 -0.344 26.403 0.877 1.00 0.00 C ATOM 671 C CYS A 42 0.592 27.096 -0.112 1.00 0.00 C ATOM 672 O CYS A 42 0.761 28.314 -0.071 1.00 0.00 O ATOM 673 CB CYS A 42 0.451 25.918 2.092 1.00 0.00 C ATOM 674 SG CYS A 42 -0.587 26.018 3.574 1.00 0.00 S ATOM 0 H CYS A 42 -0.650 24.359 0.510 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.099 27.120 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.783 24.892 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.346 26.526 2.221 1.00 0.00 H new ATOM 0 HG CYS A 42 0.088 25.604 4.605 1.00 0.00 H new ATOM 680 N LYS A 43 1.203 26.311 -0.994 1.00 0.00 N ATOM 681 CA LYS A 43 2.128 26.859 -1.983 1.00 0.00 C ATOM 682 C LYS A 43 1.384 27.520 -3.144 1.00 0.00 C ATOM 683 O LYS A 43 1.902 28.440 -3.776 1.00 0.00 O ATOM 684 CB LYS A 43 3.029 25.748 -2.530 1.00 0.00 C ATOM 685 CG LYS A 43 4.095 25.385 -1.494 1.00 0.00 C ATOM 686 CD LYS A 43 5.022 24.313 -2.071 1.00 0.00 C ATOM 687 CE LYS A 43 6.109 23.973 -1.048 1.00 0.00 C ATOM 688 NZ LYS A 43 7.448 24.061 -1.696 1.00 0.00 N ATOM 0 H LYS A 43 1.076 25.300 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 43 2.731 27.618 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.431 24.869 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.504 26.075 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.670 26.270 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.622 25.020 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.450 23.419 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.476 24.669 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.056 24.660 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.950 22.970 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.186 23.830 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.495 23.388 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.598 25.026 -2.053 1.00 0.00 H new ATOM 702 N PHE A 44 0.179 27.037 -3.433 1.00 0.00 N ATOM 703 CA PHE A 44 -0.608 27.583 -4.539 1.00 0.00 C ATOM 704 C PHE A 44 -1.020 29.027 -4.276 1.00 0.00 C ATOM 705 O PHE A 44 -0.878 29.887 -5.144 1.00 0.00 O ATOM 706 CB PHE A 44 -1.864 26.735 -4.749 1.00 0.00 C ATOM 707 CG PHE A 44 -2.820 27.460 -5.667 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.738 28.374 -5.135 1.00 0.00 C ATOM 709 CD2 PHE A 44 -2.795 27.216 -7.046 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.633 29.042 -5.980 1.00 0.00 C ATOM 711 CE2 PHE A 44 -3.688 27.885 -7.892 1.00 0.00 C ATOM 712 CZ PHE A 44 -4.608 28.798 -7.358 1.00 0.00 C ATOM 0 H PHE A 44 -0.272 26.277 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 44 0.017 27.561 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.595 25.769 -5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.345 26.536 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.756 28.564 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.087 26.512 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.342 29.745 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.668 27.698 -8.955 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.298 29.313 -8.010 1.00 0.00 H new ATOM 722 N ASN A 45 -1.536 29.287 -3.081 1.00 0.00 N ATOM 723 CA ASN A 45 -1.969 30.632 -2.731 1.00 0.00 C ATOM 724 C ASN A 45 -0.906 31.345 -1.906 1.00 0.00 C ATOM 725 O ASN A 45 -0.008 30.711 -1.351 1.00 0.00 O ATOM 726 CB ASN A 45 -3.283 30.569 -1.947 1.00 0.00 C ATOM 727 CG ASN A 45 -3.241 29.426 -0.939 1.00 0.00 C ATOM 728 OD1 ASN A 45 -2.166 28.921 -0.615 1.00 0.00 O ATOM 729 ND2 ASN A 45 -4.355 28.987 -0.420 1.00 0.00 N ATOM 0 H ASN A 45 -1.664 28.592 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.125 31.194 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.452 31.514 -1.430 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.118 30.428 -2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.337 28.223 0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.244 29.407 -0.690 1.00 0.00 H new ATOM 736 N GLN A 46 -1.016 32.665 -1.830 1.00 0.00 N ATOM 737 CA GLN A 46 -0.062 33.460 -1.073 1.00 0.00 C ATOM 738 C GLN A 46 -0.010 32.981 0.372 1.00 0.00 C ATOM 739 O GLN A 46 0.932 33.284 1.105 1.00 0.00 O ATOM 740 CB GLN A 46 -0.467 34.935 -1.106 1.00 0.00 C ATOM 741 CG GLN A 46 -0.355 35.472 -2.534 1.00 0.00 C ATOM 742 CD GLN A 46 -0.769 36.939 -2.565 1.00 0.00 C ATOM 743 OE1 GLN A 46 -1.522 37.390 -1.702 1.00 0.00 O ATOM 744 NE2 GLN A 46 -0.318 37.717 -3.511 1.00 0.00 N ATOM 0 H GLN A 46 -1.754 33.205 -2.282 1.00 0.00 H new ATOM 0 HA GLN A 46 0.923 33.346 -1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.489 35.049 -0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.174 35.512 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.668 35.365 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.990 34.891 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.306 37.342 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.589 38.700 -3.536 1.00 0.00 H new ATOM 753 N GLN A 47 -1.029 32.230 0.774 1.00 0.00 N ATOM 754 CA GLN A 47 -1.090 31.712 2.135 1.00 0.00 C ATOM 755 C GLN A 47 0.190 30.956 2.479 1.00 0.00 C ATOM 756 O GLN A 47 0.396 30.560 3.625 1.00 0.00 O ATOM 757 CB GLN A 47 -2.291 30.776 2.289 1.00 0.00 C ATOM 758 CG GLN A 47 -3.586 31.567 2.093 1.00 0.00 C ATOM 759 CD GLN A 47 -4.788 30.635 2.207 1.00 0.00 C ATOM 760 OE1 GLN A 47 -4.672 29.436 1.954 1.00 0.00 O ATOM 761 NE2 GLN A 47 -5.942 31.119 2.576 1.00 0.00 N ATOM 0 H GLN A 47 -1.818 31.968 0.183 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.198 32.555 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.232 29.969 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.281 30.314 3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.656 32.357 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.582 32.051 1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.035 32.113 2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.751 30.503 2.656 1.00 0.00 H new ATOM 770 N GLN A 48 1.049 30.764 1.481 1.00 0.00 N ATOM 771 CA GLN A 48 2.308 30.060 1.700 1.00 0.00 C ATOM 772 C GLN A 48 3.092 30.733 2.818 1.00 0.00 C ATOM 773 O GLN A 48 3.824 30.079 3.561 1.00 0.00 O ATOM 774 CB GLN A 48 3.138 30.059 0.412 1.00 0.00 C ATOM 775 CG GLN A 48 3.819 31.420 0.235 1.00 0.00 C ATOM 776 CD GLN A 48 4.265 31.597 -1.213 1.00 0.00 C ATOM 777 OE1 GLN A 48 3.518 31.278 -2.137 1.00 0.00 O ATOM 778 NE2 GLN A 48 5.447 32.091 -1.468 1.00 0.00 N ATOM 0 H GLN A 48 0.899 31.082 0.524 1.00 0.00 H new ATOM 0 HA GLN A 48 2.092 29.030 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.888 29.269 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.498 29.848 -0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.131 32.219 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.679 31.495 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.066 32.355 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.751 32.213 -2.434 1.00 0.00 H new ATOM 787 N ARG A 49 2.922 32.047 2.932 1.00 0.00 N ATOM 788 CA ARG A 49 3.603 32.817 3.966 1.00 0.00 C ATOM 789 C ARG A 49 2.612 33.729 4.676 1.00 0.00 C ATOM 790 O ARG A 49 1.681 34.250 4.060 1.00 0.00 O ATOM 791 CB ARG A 49 4.722 33.656 3.347 1.00 0.00 C ATOM 792 CG ARG A 49 5.544 34.307 4.460 1.00 0.00 C ATOM 793 CD ARG A 49 6.664 35.145 3.845 1.00 0.00 C ATOM 794 NE ARG A 49 7.539 34.301 3.039 1.00 0.00 N ATOM 795 CZ ARG A 49 8.406 33.470 3.607 1.00 0.00 C ATOM 796 NH1 ARG A 49 8.488 33.403 4.908 1.00 0.00 N ATOM 797 NH2 ARG A 49 9.176 32.722 2.865 1.00 0.00 N ATOM 0 H ARG A 49 2.319 32.599 2.322 1.00 0.00 H new ATOM 0 HA ARG A 49 4.035 32.125 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.362 33.028 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.300 34.422 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.904 34.935 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.965 33.541 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.239 35.936 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.240 35.631 4.633 1.00 0.00 H new ATOM 0 HE ARG A 49 7.484 34.350 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.887 33.988 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.153 32.765 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.112 32.775 1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.842 32.084 3.302 1.00 0.00 H new ATOM 811 N THR A 50 2.812 33.918 5.974 1.00 0.00 N ATOM 812 CA THR A 50 1.923 34.770 6.753 1.00 0.00 C ATOM 813 C THR A 50 2.107 36.231 6.361 1.00 0.00 C ATOM 814 O THR A 50 3.220 36.673 6.073 1.00 0.00 O ATOM 815 CB THR A 50 2.207 34.598 8.245 1.00 0.00 C ATOM 816 OG1 THR A 50 3.548 34.981 8.517 1.00 0.00 O ATOM 817 CG2 THR A 50 2.002 33.135 8.638 1.00 0.00 C ATOM 0 H THR A 50 3.574 33.497 6.505 1.00 0.00 H new ATOM 0 HA THR A 50 0.894 34.476 6.546 1.00 0.00 H new ATOM 0 HB THR A 50 1.526 35.225 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.731 34.873 9.474 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.205 33.012 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.973 32.843 8.428 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.682 32.505 8.064 1.00 0.00 H new ATOM 825 N GLY A 51 1.008 36.976 6.351 1.00 0.00 N ATOM 826 CA GLY A 51 1.057 38.387 5.992 1.00 0.00 C ATOM 827 C GLY A 51 -0.323 39.025 6.101 1.00 0.00 C ATOM 828 O GLY A 51 -1.000 38.894 7.121 1.00 0.00 O ATOM 0 H GLY A 51 0.078 36.629 6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.756 38.909 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.432 38.494 4.974 1.00 0.00 H new ATOM 832 N GLU A 52 -0.733 39.716 5.043 1.00 0.00 N ATOM 833 CA GLU A 52 -2.034 40.377 5.029 1.00 0.00 C ATOM 834 C GLU A 52 -3.155 39.361 4.788 1.00 0.00 C ATOM 835 O GLU A 52 -2.912 38.282 4.247 1.00 0.00 O ATOM 836 CB GLU A 52 -2.070 41.446 3.934 1.00 0.00 C ATOM 837 CG GLU A 52 -0.866 41.274 3.007 1.00 0.00 C ATOM 838 CD GLU A 52 -0.965 42.247 1.837 1.00 0.00 C ATOM 839 OE1 GLU A 52 -1.915 42.139 1.081 1.00 0.00 O ATOM 840 OE2 GLU A 52 -0.088 43.086 1.715 1.00 0.00 O ATOM 0 H GLU A 52 -0.188 39.833 4.189 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.187 40.847 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.995 41.365 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.058 42.440 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.057 41.450 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.825 40.250 2.636 1.00 0.00 H new ATOM 847 N PRO A 53 -4.370 39.678 5.174 1.00 0.00 N ATOM 848 CA PRO A 53 -5.531 38.765 4.989 1.00 0.00 C ATOM 849 C PRO A 53 -5.480 38.033 3.649 1.00 0.00 C ATOM 850 O PRO A 53 -4.778 38.451 2.728 1.00 0.00 O ATOM 851 CB PRO A 53 -6.736 39.704 5.049 1.00 0.00 C ATOM 852 CG PRO A 53 -6.305 40.866 5.886 1.00 0.00 C ATOM 853 CD PRO A 53 -4.774 40.937 5.827 1.00 0.00 C ATOM 0 HA PRO A 53 -5.558 37.976 5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.029 40.029 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.600 39.205 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.746 41.791 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.643 40.743 6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.439 41.804 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.342 41.023 6.824 1.00 0.00 H new ATOM 861 N ASP A 54 -6.230 36.937 3.549 1.00 0.00 N ATOM 862 CA ASP A 54 -6.261 36.154 2.317 1.00 0.00 C ATOM 863 C ASP A 54 -6.984 36.918 1.212 1.00 0.00 C ATOM 864 O ASP A 54 -8.023 37.535 1.449 1.00 0.00 O ATOM 865 CB ASP A 54 -6.969 34.821 2.564 1.00 0.00 C ATOM 866 CG ASP A 54 -6.202 34.011 3.605 1.00 0.00 C ATOM 867 OD1 ASP A 54 -5.037 34.304 3.813 1.00 0.00 O ATOM 868 OD2 ASP A 54 -6.793 33.110 4.177 1.00 0.00 O ATOM 0 H ASP A 54 -6.819 36.574 4.299 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.234 35.968 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.988 34.999 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.040 34.259 1.633 1.00 0.00 H new ATOM 873 N GLU A 55 -6.428 36.873 0.004 1.00 0.00 N ATOM 874 CA GLU A 55 -7.027 37.567 -1.130 1.00 0.00 C ATOM 875 C GLU A 55 -7.763 36.588 -2.040 1.00 0.00 C ATOM 876 O GLU A 55 -8.995 36.549 -2.058 1.00 0.00 O ATOM 877 CB GLU A 55 -5.941 38.291 -1.930 1.00 0.00 C ATOM 878 CG GLU A 55 -6.590 39.189 -2.985 1.00 0.00 C ATOM 879 CD GLU A 55 -5.512 39.864 -3.826 1.00 0.00 C ATOM 880 OE1 GLU A 55 -4.655 40.509 -3.246 1.00 0.00 O ATOM 881 OE2 GLU A 55 -5.558 39.724 -5.037 1.00 0.00 O ATOM 0 H GLU A 55 -5.570 36.367 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.745 38.292 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.321 38.888 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.285 37.565 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.246 38.598 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.211 39.943 -2.501 1.00 0.00 H new ATOM 888 N GLU A 56 -7.004 35.806 -2.799 1.00 0.00 N ATOM 889 CA GLU A 56 -7.595 34.838 -3.717 1.00 0.00 C ATOM 890 C GLU A 56 -8.298 33.719 -2.953 1.00 0.00 C ATOM 891 O GLU A 56 -9.525 33.691 -2.865 1.00 0.00 O ATOM 892 CB GLU A 56 -6.507 34.236 -4.611 1.00 0.00 C ATOM 893 CG GLU A 56 -5.824 35.348 -5.409 1.00 0.00 C ATOM 894 CD GLU A 56 -6.813 35.974 -6.387 1.00 0.00 C ATOM 895 OE1 GLU A 56 -7.830 35.353 -6.649 1.00 0.00 O ATOM 896 OE2 GLU A 56 -6.539 37.064 -6.859 1.00 0.00 O ATOM 0 H GLU A 56 -5.984 35.822 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.331 35.358 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.773 33.708 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.944 33.504 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.440 36.110 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.969 34.944 -5.952 1.00 0.00 H new ATOM 903 N GLU A 57 -7.511 32.797 -2.406 1.00 0.00 N ATOM 904 CA GLU A 57 -8.069 31.676 -1.657 1.00 0.00 C ATOM 905 C GLU A 57 -9.094 30.927 -2.503 1.00 0.00 C ATOM 906 O GLU A 57 -10.252 31.334 -2.599 1.00 0.00 O ATOM 907 CB GLU A 57 -8.730 32.178 -0.372 1.00 0.00 C ATOM 908 CG GLU A 57 -8.693 31.072 0.684 1.00 0.00 C ATOM 909 CD GLU A 57 -9.396 29.824 0.161 1.00 0.00 C ATOM 910 OE1 GLU A 57 -10.531 29.945 -0.270 1.00 0.00 O ATOM 911 OE2 GLU A 57 -8.789 28.767 0.200 1.00 0.00 O ATOM 0 H GLU A 57 -6.493 32.803 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.257 30.995 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.211 33.064 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.761 32.472 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.660 30.837 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.177 31.415 1.598 1.00 0.00 H new ATOM 918 N GLY A 58 -8.654 29.835 -3.119 1.00 0.00 N ATOM 919 CA GLY A 58 -9.532 29.033 -3.964 1.00 0.00 C ATOM 920 C GLY A 58 -8.726 28.322 -5.046 1.00 0.00 C ATOM 921 O GLY A 58 -8.725 28.734 -6.206 1.00 0.00 O ATOM 0 H GLY A 58 -7.698 29.486 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.062 28.300 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.287 29.671 -4.424 1.00 0.00 H new ATOM 925 N THR A 59 -8.034 27.256 -4.655 1.00 0.00 N ATOM 926 CA THR A 59 -7.217 26.495 -5.595 1.00 0.00 C ATOM 927 C THR A 59 -8.057 25.417 -6.280 1.00 0.00 C ATOM 928 O THR A 59 -9.286 25.444 -6.210 1.00 0.00 O ATOM 929 CB THR A 59 -6.018 25.868 -4.872 1.00 0.00 C ATOM 930 OG1 THR A 59 -6.141 24.456 -4.881 1.00 0.00 O ATOM 931 CG2 THR A 59 -5.965 26.365 -3.424 1.00 0.00 C ATOM 0 H THR A 59 -8.022 26.901 -3.699 1.00 0.00 H new ATOM 0 HA THR A 59 -6.841 27.174 -6.360 1.00 0.00 H new ATOM 0 HB THR A 59 -5.101 26.157 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.541 24.080 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.111 25.916 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.863 27.450 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.883 26.083 -2.909 1.00 0.00 H new ATOM 939 N PHE A 60 -7.395 24.476 -6.949 1.00 0.00 N ATOM 940 CA PHE A 60 -8.110 23.408 -7.648 1.00 0.00 C ATOM 941 C PHE A 60 -8.751 22.448 -6.656 1.00 0.00 C ATOM 942 O PHE A 60 -9.909 22.059 -6.808 1.00 0.00 O ATOM 943 CB PHE A 60 -7.158 22.645 -8.569 1.00 0.00 C ATOM 944 CG PHE A 60 -7.098 23.332 -9.913 1.00 0.00 C ATOM 945 CD1 PHE A 60 -6.206 24.392 -10.120 1.00 0.00 C ATOM 946 CD2 PHE A 60 -7.937 22.911 -10.952 1.00 0.00 C ATOM 947 CE1 PHE A 60 -6.152 25.028 -11.366 1.00 0.00 C ATOM 948 CE2 PHE A 60 -7.883 23.547 -12.197 1.00 0.00 C ATOM 949 CZ PHE A 60 -6.990 24.607 -12.405 1.00 0.00 C ATOM 0 H PHE A 60 -6.379 24.429 -7.023 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.897 23.864 -8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.163 22.602 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.498 21.616 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.560 24.719 -9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.626 22.095 -10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.463 25.844 -11.526 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.530 23.221 -12.998 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.949 25.098 -13.366 1.00 0.00 H new ATOM 959 N ARG A 61 -7.989 22.078 -5.635 1.00 0.00 N ATOM 960 CA ARG A 61 -8.485 21.174 -4.612 1.00 0.00 C ATOM 961 C ARG A 61 -9.693 21.792 -3.920 1.00 0.00 C ATOM 962 O ARG A 61 -10.590 21.091 -3.483 1.00 0.00 O ATOM 963 CB ARG A 61 -7.390 20.858 -3.586 1.00 0.00 C ATOM 964 CG ARG A 61 -6.794 22.155 -3.042 1.00 0.00 C ATOM 965 CD ARG A 61 -5.310 22.230 -3.407 1.00 0.00 C ATOM 966 NE ARG A 61 -5.136 22.249 -4.856 1.00 0.00 N ATOM 967 CZ ARG A 61 -4.030 21.774 -5.429 1.00 0.00 C ATOM 968 NH1 ARG A 61 -3.062 21.296 -4.697 1.00 0.00 N ATOM 969 NH2 ARG A 61 -3.909 21.796 -6.728 1.00 0.00 N ATOM 0 H ARG A 61 -7.028 22.390 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.783 20.240 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.805 20.268 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.609 20.255 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.325 23.013 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.915 22.197 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.868 23.126 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.782 21.375 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.876 22.634 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.149 21.284 -3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.218 20.934 -5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.660 22.176 -7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.063 21.433 -7.168 1.00 0.00 H new ATOM 983 N SER A 62 -9.700 23.112 -3.819 1.00 0.00 N ATOM 984 CA SER A 62 -10.798 23.820 -3.167 1.00 0.00 C ATOM 985 C SER A 62 -12.132 23.569 -3.877 1.00 0.00 C ATOM 986 O SER A 62 -13.185 23.564 -3.237 1.00 0.00 O ATOM 987 CB SER A 62 -10.507 25.320 -3.140 1.00 0.00 C ATOM 988 OG SER A 62 -11.300 25.934 -2.134 1.00 0.00 O ATOM 0 H SER A 62 -8.961 23.716 -4.178 1.00 0.00 H new ATOM 0 HA SER A 62 -10.880 23.440 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.449 25.493 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.726 25.762 -4.112 1.00 0.00 H new ATOM 0 HG SER A 62 -11.003 26.859 -2.003 1.00 0.00 H new ATOM 994 N SER A 63 -12.095 23.384 -5.194 1.00 0.00 N ATOM 995 CA SER A 63 -13.329 23.161 -5.952 1.00 0.00 C ATOM 996 C SER A 63 -14.017 21.867 -5.511 1.00 0.00 C ATOM 997 O SER A 63 -15.244 21.772 -5.536 1.00 0.00 O ATOM 998 CB SER A 63 -13.015 23.096 -7.447 1.00 0.00 C ATOM 999 OG SER A 63 -12.272 21.915 -7.719 1.00 0.00 O ATOM 0 H SER A 63 -11.242 23.383 -5.753 1.00 0.00 H new ATOM 0 HA SER A 63 -14.005 23.993 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.939 23.100 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.446 23.975 -7.750 1.00 0.00 H new ATOM 0 HG SER A 63 -11.518 21.852 -7.096 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.227 20.884 -5.095 1.00 0.00 N ATOM 1006 CA ILE A 64 -13.783 19.611 -4.633 1.00 0.00 C ATOM 1007 C ILE A 64 -14.635 19.828 -3.381 1.00 0.00 C ATOM 1008 O ILE A 64 -15.601 19.103 -3.143 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.675 18.558 -4.392 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -12.039 18.670 -2.991 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -11.579 18.727 -5.446 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -12.677 17.642 -2.056 1.00 0.00 C ATOM 0 H ILE A 64 -12.209 20.939 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.426 19.216 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.144 17.577 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.964 18.502 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -12.182 19.675 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.797 17.987 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.005 18.587 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.153 19.728 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.227 17.722 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.748 17.831 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.511 16.639 -2.450 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.262 20.825 -2.580 1.00 0.00 N ATOM 1025 CA ARG A 65 -14.989 21.121 -1.352 1.00 0.00 C ATOM 1026 C ARG A 65 -16.453 21.389 -1.672 1.00 0.00 C ATOM 1027 O ARG A 65 -17.338 21.079 -0.874 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.378 22.352 -0.671 1.00 0.00 C ATOM 1029 CG ARG A 65 -15.020 22.569 0.707 1.00 0.00 C ATOM 1030 CD ARG A 65 -14.681 21.410 1.654 1.00 0.00 C ATOM 1031 NE ARG A 65 -14.523 21.914 3.014 1.00 0.00 N ATOM 1032 CZ ARG A 65 -13.499 22.694 3.341 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -12.594 22.991 2.449 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -13.394 23.160 4.556 1.00 0.00 N ATOM 0 H ARG A 65 -13.466 21.436 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.918 20.265 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.302 22.220 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.529 23.234 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.668 23.508 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.101 22.653 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -15.472 20.660 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.764 20.919 1.329 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.210 21.663 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.673 22.624 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.808 23.590 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.099 22.925 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.607 23.759 4.806 1.00 0.00 H new ATOM 1048 N ARG A 66 -16.709 21.935 -2.857 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.076 22.198 -3.272 1.00 0.00 C ATOM 1050 C ARG A 66 -18.859 20.893 -3.252 1.00 0.00 C ATOM 1051 O ARG A 66 -20.042 20.875 -2.948 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.108 22.797 -4.683 1.00 0.00 C ATOM 1053 CG ARG A 66 -17.464 24.189 -4.681 1.00 0.00 C ATOM 1054 CD ARG A 66 -18.464 25.208 -5.233 1.00 0.00 C ATOM 1055 NE ARG A 66 -17.891 26.550 -5.204 1.00 0.00 N ATOM 1056 CZ ARG A 66 -18.661 27.630 -5.310 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -19.954 27.502 -5.435 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -18.123 28.819 -5.289 1.00 0.00 N ATOM 0 H ARG A 66 -15.996 22.200 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.525 22.915 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.577 22.144 -5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.138 22.865 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.168 24.464 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.559 24.185 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.736 24.944 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.380 25.184 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.882 26.662 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.375 26.573 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.543 28.331 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.113 28.920 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.713 29.647 -5.370 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.179 19.803 -3.586 1.00 0.00 N ATOM 1073 CA LEU A 67 -18.810 18.486 -3.617 1.00 0.00 C ATOM 1074 C LEU A 67 -19.448 18.145 -2.269 1.00 0.00 C ATOM 1075 O LEU A 67 -20.365 17.326 -2.199 1.00 0.00 O ATOM 1076 CB LEU A 67 -17.756 17.430 -3.962 1.00 0.00 C ATOM 1077 CG LEU A 67 -18.430 16.215 -4.598 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -18.515 16.413 -6.112 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -17.606 14.961 -4.294 1.00 0.00 C ATOM 0 H LEU A 67 -17.191 19.803 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.595 18.498 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.019 17.849 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.220 17.130 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.434 16.100 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -18.996 15.546 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.099 17.307 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.511 16.527 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.085 14.093 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.603 15.077 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.543 14.820 -3.215 1.00 0.00 H new ATOM 1091 N SER A 68 -18.959 18.770 -1.201 1.00 0.00 N ATOM 1092 CA SER A 68 -19.492 18.515 0.138 1.00 0.00 C ATOM 1093 C SER A 68 -20.944 18.983 0.262 1.00 0.00 C ATOM 1094 O SER A 68 -21.800 18.243 0.747 1.00 0.00 O ATOM 1095 CB SER A 68 -18.639 19.237 1.183 1.00 0.00 C ATOM 1096 OG SER A 68 -17.283 18.838 1.040 1.00 0.00 O ATOM 0 H SER A 68 -18.201 19.452 -1.234 1.00 0.00 H new ATOM 0 HA SER A 68 -19.462 17.439 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.727 20.316 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.995 19.001 2.186 1.00 0.00 H new ATOM 0 HG SER A 68 -16.840 19.414 0.382 1.00 0.00 H new ATOM 1102 N THR A 69 -21.215 20.213 -0.174 1.00 0.00 N ATOM 1103 CA THR A 69 -22.570 20.765 -0.102 1.00 0.00 C ATOM 1104 C THR A 69 -23.215 20.776 -1.483 1.00 0.00 C ATOM 1105 O THR A 69 -24.416 20.551 -1.624 1.00 0.00 O ATOM 1106 CB THR A 69 -22.522 22.191 0.453 1.00 0.00 C ATOM 1107 OG1 THR A 69 -21.816 23.026 -0.455 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.811 22.192 1.807 1.00 0.00 C ATOM 0 H THR A 69 -20.522 20.843 -0.578 1.00 0.00 H new ATOM 0 HA THR A 69 -23.166 20.137 0.560 1.00 0.00 H new ATOM 0 HB THR A 69 -23.538 22.566 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 69 -21.785 23.940 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.778 23.208 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 69 -22.353 21.551 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.795 21.817 1.685 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.392 21.027 -2.491 1.00 0.00 N ATOM 1117 CA ARG A 70 -22.843 21.057 -3.884 1.00 0.00 C ATOM 1118 C ARG A 70 -23.745 22.257 -4.174 1.00 0.00 C ATOM 1119 O ARG A 70 -23.291 23.246 -4.751 1.00 0.00 O ATOM 1120 CB ARG A 70 -23.574 19.759 -4.236 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.819 18.572 -3.637 1.00 0.00 C ATOM 1122 CD ARG A 70 -22.967 17.361 -4.558 1.00 0.00 C ATOM 1123 NE ARG A 70 -22.077 17.490 -5.706 1.00 0.00 N ATOM 1124 CZ ARG A 70 -22.167 16.662 -6.741 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -23.064 15.715 -6.742 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -21.357 16.796 -7.756 1.00 0.00 N ATOM 0 H ARG A 70 -21.397 21.215 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 70 -21.954 21.155 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -24.593 19.787 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -23.645 19.650 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -21.765 18.822 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -23.210 18.340 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -22.736 16.448 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.000 17.277 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 70 -21.373 18.228 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -23.696 15.610 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -23.133 15.079 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -20.655 17.536 -7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -21.426 16.160 -8.551 1.00 0.00 H new ATOM 1140 N ARG A 71 -25.023 22.159 -3.795 1.00 0.00 N ATOM 1141 CA ARG A 71 -25.976 23.242 -4.048 1.00 0.00 C ATOM 1142 C ARG A 71 -26.732 23.623 -2.782 1.00 0.00 C ATOM 1143 O ARG A 71 -26.887 22.817 -1.866 1.00 0.00 O ATOM 1144 CB ARG A 71 -26.975 22.807 -5.125 1.00 0.00 C ATOM 1145 CG ARG A 71 -27.766 21.593 -4.631 1.00 0.00 C ATOM 1146 CD ARG A 71 -28.326 20.824 -5.829 1.00 0.00 C ATOM 1147 NE ARG A 71 -29.040 21.729 -6.723 1.00 0.00 N ATOM 1148 CZ ARG A 71 -29.765 21.265 -7.736 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -29.841 19.978 -7.948 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -30.399 22.094 -8.520 1.00 0.00 N ATOM 0 H ARG A 71 -25.418 21.349 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 71 -25.415 24.113 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -27.655 23.627 -5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -26.447 22.560 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -27.122 20.944 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -28.579 21.916 -3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -27.514 20.335 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -28.998 20.038 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 71 -28.982 22.735 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -29.344 19.330 -7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -30.397 19.621 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -30.338 23.099 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -30.955 21.737 -9.297 1.00 0.00 H new ATOM 1164 N ARG A 72 -27.202 24.865 -2.749 1.00 0.00 N ATOM 1165 CA ARG A 72 -27.945 25.368 -1.601 1.00 0.00 C ATOM 1166 C ARG A 72 -29.301 24.677 -1.495 1.00 0.00 C ATOM 1167 O ARG A 72 -29.883 24.393 -2.529 1.00 0.00 O ATOM 1168 CB ARG A 72 -28.150 26.876 -1.743 1.00 0.00 C ATOM 1169 CG ARG A 72 -28.866 27.170 -3.062 1.00 0.00 C ATOM 1170 CD ARG A 72 -28.866 28.677 -3.320 1.00 0.00 C ATOM 1171 NE ARG A 72 -29.494 29.378 -2.207 1.00 0.00 N ATOM 1172 CZ ARG A 72 -30.816 29.474 -2.115 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -31.574 28.931 -3.028 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -31.356 30.110 -1.111 1.00 0.00 N ATOM 1175 OXT ARG A 72 -29.738 24.441 -0.381 1.00 0.00 O ATOM 0 H ARG A 72 -27.082 25.541 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.373 25.158 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -28.737 27.255 -0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.189 27.389 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -28.369 26.651 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -29.890 26.797 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -27.843 29.031 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.400 28.895 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.909 29.802 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.152 28.433 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -32.589 29.004 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.763 30.533 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.371 30.184 -1.040 1.00 0.00 H new TER 1189 ARG A 72