USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 662 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 50 MET CE :methyl 154:sc= -0.0285 (180deg=-0.714) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -140:sc= -0.188 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.23) USER MOD Single : A 29 HIS : no HE2:sc= 0.0958 X(o=0.096,f=-0.4) USER MOD Single : A 31 ASN : amide:sc= 0.834 X(o=0.83,f=0.4) USER MOD Single : A 37 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 139:sc= 1.28 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 67 THR OG1 : rot -101:sc= 0.887 USER MOD Single : A 68 ASN : amide:sc= 0.0786 X(o=0.079,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -153:sc= 0.742 (180deg=0.34) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 0.8 (180deg=0.176) USER MOD Single : A 91 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.28) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.700 -1.557 -4.499 1.00 0.00 N ATOM 30 CA ASP A 3 4.830 -1.248 -5.947 1.00 0.00 C ATOM 31 C ASP A 3 6.290 -1.580 -6.437 1.00 0.00 C ATOM 32 O ASP A 3 7.209 -0.829 -6.088 1.00 0.00 O ATOM 33 CB ASP A 3 4.410 0.228 -6.175 1.00 0.00 C ATOM 34 CG ASP A 3 4.280 0.607 -7.652 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.242 0.697 -8.410 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.982 0.807 -8.029 1.00 0.00 O ATOM 0 HA ASP A 3 4.167 -1.869 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.457 0.407 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.143 0.883 -5.704 1.00 0.00 H new ATOM 41 N PRO A 4 6.559 -2.634 -7.263 1.00 0.00 N ATOM 42 CA PRO A 4 7.934 -2.939 -7.758 1.00 0.00 C ATOM 43 C PRO A 4 8.561 -1.955 -8.804 1.00 0.00 C ATOM 44 O PRO A 4 9.783 -1.796 -8.824 1.00 0.00 O ATOM 45 CB PRO A 4 7.768 -4.381 -8.276 1.00 0.00 C ATOM 46 CG PRO A 4 6.302 -4.503 -8.697 1.00 0.00 C ATOM 47 CD PRO A 4 5.542 -3.600 -7.724 1.00 0.00 C ATOM 0 HA PRO A 4 8.674 -2.817 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.434 -4.574 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.014 -5.106 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.158 -4.183 -9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.956 -5.535 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.708 -3.098 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.127 -4.170 -6.893 1.00 0.00 H new ATOM 55 N ALA A 5 7.749 -1.267 -9.630 1.00 0.00 N ATOM 56 CA ALA A 5 8.232 -0.177 -10.526 1.00 0.00 C ATOM 57 C ALA A 5 8.765 1.101 -9.794 1.00 0.00 C ATOM 58 O ALA A 5 9.871 1.561 -10.092 1.00 0.00 O ATOM 59 CB ALA A 5 7.090 0.132 -11.513 1.00 0.00 C ATOM 0 H ALA A 5 6.747 -1.442 -9.701 1.00 0.00 H new ATOM 0 HA ALA A 5 9.121 -0.527 -11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.400 0.927 -12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.854 -0.763 -12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.207 0.451 -10.959 1.00 0.00 H new ATOM 65 N ALA A 6 8.036 1.618 -8.786 1.00 0.00 N ATOM 66 CA ALA A 6 8.590 2.601 -7.812 1.00 0.00 C ATOM 67 C ALA A 6 9.784 2.106 -6.921 1.00 0.00 C ATOM 68 O ALA A 6 10.676 2.892 -6.594 1.00 0.00 O ATOM 69 CB ALA A 6 7.406 3.093 -6.961 1.00 0.00 C ATOM 0 H ALA A 6 7.060 1.376 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 6 9.056 3.403 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.761 3.818 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.664 3.563 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.953 2.247 -6.444 1.00 0.00 H new ATOM 75 N GLY A 7 9.849 0.801 -6.598 1.00 0.00 N ATOM 76 CA GLY A 7 11.070 0.167 -6.027 1.00 0.00 C ATOM 77 C GLY A 7 12.369 0.139 -6.868 1.00 0.00 C ATOM 78 O GLY A 7 13.448 0.020 -6.290 1.00 0.00 O ATOM 0 H GLY A 7 9.069 0.155 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.296 0.676 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.818 -0.864 -5.777 1.00 0.00 H new ATOM 82 N GLU A 8 12.279 0.284 -8.199 1.00 0.00 N ATOM 83 CA GLU A 8 13.460 0.520 -9.079 1.00 0.00 C ATOM 84 C GLU A 8 14.141 1.922 -8.900 1.00 0.00 C ATOM 85 O GLU A 8 15.371 1.991 -8.839 1.00 0.00 O ATOM 86 CB GLU A 8 13.017 0.239 -10.540 1.00 0.00 C ATOM 87 CG GLU A 8 14.185 0.101 -11.548 1.00 0.00 C ATOM 88 CD GLU A 8 13.723 -0.298 -12.946 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.512 -1.456 -13.291 1.00 0.00 O ATOM 90 OE2 GLU A 8 13.563 0.776 -13.767 1.00 0.00 O ATOM 0 H GLU A 8 11.394 0.243 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 8 14.255 -0.165 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.428 -0.678 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.362 1.046 -10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.722 1.048 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.890 -0.643 -11.178 1.00 0.00 H new ATOM 97 N LYS A 9 13.367 3.020 -8.773 1.00 0.00 N ATOM 98 CA LYS A 9 13.916 4.342 -8.333 1.00 0.00 C ATOM 99 C LYS A 9 14.411 4.413 -6.846 1.00 0.00 C ATOM 100 O LYS A 9 15.442 5.039 -6.586 1.00 0.00 O ATOM 101 CB LYS A 9 12.978 5.508 -8.744 1.00 0.00 C ATOM 102 CG LYS A 9 11.573 5.533 -8.106 1.00 0.00 C ATOM 103 CD LYS A 9 10.766 6.795 -8.458 1.00 0.00 C ATOM 104 CE LYS A 9 9.377 6.785 -7.800 1.00 0.00 C ATOM 105 NZ LYS A 9 8.642 8.016 -8.144 1.00 0.00 N ATOM 0 H LYS A 9 12.365 3.029 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 9 14.847 4.464 -8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.477 6.446 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.858 5.481 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.018 4.653 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.672 5.464 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.315 7.680 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.655 6.866 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.815 5.912 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.480 6.704 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.705 7.998 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.173 8.844 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.529 8.076 -9.176 1.00 0.00 H new ATOM 118 N VAL A 10 13.753 3.723 -5.890 1.00 0.00 N ATOM 119 CA VAL A 10 14.327 3.471 -4.526 1.00 0.00 C ATOM 120 C VAL A 10 15.619 2.557 -4.544 1.00 0.00 C ATOM 121 O VAL A 10 16.567 2.861 -3.815 1.00 0.00 O ATOM 122 CB VAL A 10 13.244 2.992 -3.496 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.768 3.026 -2.040 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.928 3.811 -3.464 1.00 0.00 C ATOM 0 H VAL A 10 12.823 3.326 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 10 14.674 4.440 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 10 13.032 1.985 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.984 2.686 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.634 2.371 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.055 4.045 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.255 3.390 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.150 4.847 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.452 3.773 -4.444 1.00 0.00 H new ATOM 134 N PHE A 11 15.727 1.512 -5.400 1.00 0.00 N ATOM 135 CA PHE A 11 17.041 0.878 -5.741 1.00 0.00 C ATOM 136 C PHE A 11 18.138 1.825 -6.341 1.00 0.00 C ATOM 137 O PHE A 11 19.322 1.582 -6.101 1.00 0.00 O ATOM 138 CB PHE A 11 16.822 -0.377 -6.637 1.00 0.00 C ATOM 139 CG PHE A 11 18.065 -1.284 -6.773 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.457 -2.093 -5.702 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.867 -1.233 -7.920 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.633 -2.833 -5.770 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.048 -1.973 -7.984 1.00 0.00 C ATOM 144 CZ PHE A 11 20.433 -2.765 -6.905 1.00 0.00 C ATOM 0 H PHE A 11 14.928 1.086 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 11 17.461 0.586 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.001 -0.964 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.514 -0.051 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.842 -2.144 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.570 -0.619 -8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.925 -3.461 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.664 -1.932 -8.870 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.354 -3.327 -6.950 1.00 0.00 H new ATOM 154 N GLY A 12 17.787 2.920 -7.040 1.00 0.00 N ATOM 155 CA GLY A 12 18.740 4.033 -7.314 1.00 0.00 C ATOM 156 C GLY A 12 19.504 4.700 -6.131 1.00 0.00 C ATOM 157 O GLY A 12 20.620 5.185 -6.323 1.00 0.00 O ATOM 0 H GLY A 12 16.855 3.066 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.486 3.658 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.186 4.818 -7.828 1.00 0.00 H new ATOM 161 N LYS A 13 18.931 4.667 -4.917 1.00 0.00 N ATOM 162 CA LYS A 13 19.669 4.921 -3.639 1.00 0.00 C ATOM 163 C LYS A 13 20.743 3.828 -3.266 1.00 0.00 C ATOM 164 O LYS A 13 21.816 4.156 -2.754 1.00 0.00 O ATOM 165 CB LYS A 13 18.657 5.084 -2.457 1.00 0.00 C ATOM 166 CG LYS A 13 17.377 5.939 -2.645 1.00 0.00 C ATOM 167 CD LYS A 13 17.609 7.420 -2.996 1.00 0.00 C ATOM 168 CE LYS A 13 16.288 8.125 -3.342 1.00 0.00 C ATOM 169 NZ LYS A 13 16.542 9.545 -3.654 1.00 0.00 N ATOM 0 H LYS A 13 17.941 4.464 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 13 20.226 5.843 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.339 4.084 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.207 5.504 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.774 5.488 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.791 5.890 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.084 7.925 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.295 7.493 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.817 7.635 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.594 8.046 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.644 10.015 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.973 10.010 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.189 9.612 -4.466 1.00 0.00 H new ATOM 182 N CYS A 14 20.438 2.538 -3.503 1.00 0.00 N ATOM 183 CA CYS A 14 21.374 1.400 -3.305 1.00 0.00 C ATOM 184 C CYS A 14 22.458 1.174 -4.421 1.00 0.00 C ATOM 185 O CYS A 14 23.559 0.712 -4.104 1.00 0.00 O ATOM 186 CB CYS A 14 20.492 0.132 -3.156 1.00 0.00 C ATOM 187 SG CYS A 14 18.946 0.380 -2.226 1.00 0.00 S ATOM 0 H CYS A 14 19.522 2.246 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 14 21.973 1.630 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.245 -0.240 -4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.076 -0.644 -2.661 1.00 0.00 H new ATOM 0 HG CYS A 14 18.731 -0.648 -1.459 1.00 0.00 H new ATOM 192 N LYS A 15 22.150 1.452 -5.709 1.00 0.00 N ATOM 193 CA LYS A 15 22.957 0.990 -6.883 1.00 0.00 C ATOM 194 C LYS A 15 24.465 1.397 -6.996 1.00 0.00 C ATOM 195 O LYS A 15 25.259 0.640 -7.558 1.00 0.00 O ATOM 196 CB LYS A 15 22.171 1.285 -8.195 1.00 0.00 C ATOM 197 CG LYS A 15 22.200 2.745 -8.713 1.00 0.00 C ATOM 198 CD LYS A 15 21.418 2.944 -10.029 1.00 0.00 C ATOM 199 CE LYS A 15 21.530 4.361 -10.623 1.00 0.00 C ATOM 200 NZ LYS A 15 20.814 5.374 -9.818 1.00 0.00 N ATOM 0 H LYS A 15 21.334 2.004 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 15 23.071 -0.078 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.564 0.638 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.130 1.000 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.784 3.402 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.236 3.048 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.778 2.225 -10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.366 2.719 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.582 4.638 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.129 4.359 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.921 6.309 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.805 5.128 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.212 5.399 -8.857 1.00 0.00 H new ATOM 213 N ALA A 16 24.859 2.573 -6.470 1.00 0.00 N ATOM 214 CA ALA A 16 26.293 2.961 -6.346 1.00 0.00 C ATOM 215 C ALA A 16 27.184 2.038 -5.447 1.00 0.00 C ATOM 216 O ALA A 16 28.352 1.806 -5.770 1.00 0.00 O ATOM 217 CB ALA A 16 26.310 4.425 -5.863 1.00 0.00 C ATOM 0 H ALA A 16 24.209 3.277 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 16 26.758 2.839 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.341 4.761 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.798 5.054 -6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.803 4.497 -4.901 1.00 0.00 H new ATOM 223 N CYS A 17 26.623 1.502 -4.349 1.00 0.00 N ATOM 224 CA CYS A 17 27.263 0.422 -3.562 1.00 0.00 C ATOM 225 C CYS A 17 26.926 -1.041 -4.008 1.00 0.00 C ATOM 226 O CYS A 17 27.833 -1.876 -4.002 1.00 0.00 O ATOM 227 CB CYS A 17 26.877 0.651 -2.092 1.00 0.00 C ATOM 228 SG CYS A 17 27.318 2.314 -1.502 1.00 0.00 S ATOM 0 H CYS A 17 25.720 1.799 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 17 28.338 0.489 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.804 0.501 -1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.373 -0.094 -1.470 1.00 0.00 H new ATOM 0 HG CYS A 17 26.963 2.441 -0.258 1.00 0.00 H new ATOM 233 N HIS A 18 25.660 -1.377 -4.323 1.00 0.00 N ATOM 234 CA HIS A 18 25.221 -2.780 -4.577 1.00 0.00 C ATOM 235 C HIS A 18 24.817 -3.003 -6.065 1.00 0.00 C ATOM 236 O HIS A 18 24.005 -2.256 -6.618 1.00 0.00 O ATOM 237 CB HIS A 18 23.997 -3.096 -3.684 1.00 0.00 C ATOM 238 CG HIS A 18 24.260 -3.230 -2.189 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.668 -4.401 -1.612 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.863 -2.328 -1.200 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.420 -4.141 -0.302 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.865 -2.924 0.078 1.00 0.00 N ATOM 0 H HIS A 18 24.909 -0.693 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 18 26.059 -3.438 -4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.256 -2.310 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.549 -4.025 -4.036 1.00 0.00 H new ATOM 0 HD1 HIS A 18 25.053 -5.240 -2.046 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.588 -1.301 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.655 -4.882 0.447 1.00 0.00 H new ATOM 250 N LYS A 19 25.321 -4.075 -6.697 1.00 0.00 N ATOM 251 CA LYS A 19 25.101 -4.311 -8.162 1.00 0.00 C ATOM 252 C LYS A 19 24.004 -5.366 -8.522 1.00 0.00 C ATOM 253 O LYS A 19 23.339 -5.195 -9.543 1.00 0.00 O ATOM 254 CB LYS A 19 26.459 -4.624 -8.848 1.00 0.00 C ATOM 255 CG LYS A 19 27.478 -3.457 -8.848 1.00 0.00 C ATOM 256 CD LYS A 19 28.834 -3.854 -9.456 1.00 0.00 C ATOM 257 CE LYS A 19 29.821 -2.679 -9.496 1.00 0.00 C ATOM 258 NZ LYS A 19 31.127 -3.140 -10.007 1.00 0.00 N ATOM 0 H LYS A 19 25.880 -4.794 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 19 24.688 -3.382 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.911 -5.481 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.268 -4.919 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.064 -2.619 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.630 -3.112 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.266 -4.669 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.680 -4.231 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.430 -1.886 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.939 -2.257 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.792 -2.341 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.502 -3.882 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 31.009 -3.522 -10.967 1.00 0.00 H new ATOM 271 N LEU A 20 23.862 -6.466 -7.753 1.00 0.00 N ATOM 272 CA LEU A 20 22.986 -7.646 -8.068 1.00 0.00 C ATOM 273 C LEU A 20 23.234 -8.485 -9.367 1.00 0.00 C ATOM 274 O LEU A 20 22.686 -9.583 -9.497 1.00 0.00 O ATOM 275 CB LEU A 20 21.496 -7.469 -7.644 1.00 0.00 C ATOM 276 CG LEU A 20 20.661 -6.305 -8.216 1.00 0.00 C ATOM 277 CD1 LEU A 20 20.360 -6.465 -9.716 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.324 -6.178 -7.458 1.00 0.00 C ATOM 0 H LEU A 20 24.361 -6.574 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 20 23.414 -8.370 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.976 -8.394 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.477 -7.377 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 20 21.264 -5.407 -8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.770 -5.616 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 20 21.296 -6.506 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.800 -7.386 -9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.747 -5.352 -7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.758 -7.104 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.521 -5.988 -6.403 1.00 0.00 H new ATOM 290 N ASP A 21 24.132 -8.053 -10.263 1.00 0.00 N ATOM 291 CA ASP A 21 24.459 -8.793 -11.518 1.00 0.00 C ATOM 292 C ASP A 21 25.676 -9.773 -11.351 1.00 0.00 C ATOM 293 O ASP A 21 26.655 -9.702 -12.102 1.00 0.00 O ATOM 294 CB ASP A 21 24.621 -7.685 -12.598 1.00 0.00 C ATOM 295 CG ASP A 21 24.767 -8.166 -14.040 1.00 0.00 C ATOM 296 OD1 ASP A 21 23.684 -8.873 -14.466 1.00 0.00 O ATOM 297 OD2 ASP A 21 25.744 -7.930 -14.743 1.00 0.00 O ATOM 0 H ASP A 21 24.657 -7.186 -10.151 1.00 0.00 H new ATOM 0 HA ASP A 21 23.675 -9.488 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.756 -7.024 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.496 -7.086 -12.346 1.00 0.00 H new ATOM 302 N GLY A 22 25.643 -10.681 -10.350 1.00 0.00 N ATOM 303 CA GLY A 22 26.832 -11.514 -9.986 1.00 0.00 C ATOM 304 C GLY A 22 27.958 -10.784 -9.211 1.00 0.00 C ATOM 305 O GLY A 22 28.308 -11.165 -8.095 1.00 0.00 O ATOM 0 H GLY A 22 24.818 -10.862 -9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.491 -12.357 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.256 -11.927 -10.901 1.00 0.00 H new ATOM 309 N ASN A 23 28.510 -9.730 -9.825 1.00 0.00 N ATOM 310 CA ASN A 23 29.398 -8.745 -9.152 1.00 0.00 C ATOM 311 C ASN A 23 28.788 -7.982 -7.928 1.00 0.00 C ATOM 312 O ASN A 23 27.575 -7.825 -7.764 1.00 0.00 O ATOM 313 CB ASN A 23 29.993 -7.763 -10.207 1.00 0.00 C ATOM 314 CG ASN A 23 29.036 -7.085 -11.212 1.00 0.00 C ATOM 315 OD1 ASN A 23 27.870 -6.817 -10.945 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.494 -6.790 -12.402 1.00 0.00 N ATOM 0 H ASN A 23 28.358 -9.526 -10.813 1.00 0.00 H new ATOM 0 HA ASN A 23 30.190 -9.340 -8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 23 30.517 -6.975 -9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.742 -8.308 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.884 -6.345 -13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 23 30.461 -7.005 -12.644 1.00 0.00 H new ATOM 323 N ASP A 24 29.704 -7.530 -7.062 1.00 0.00 N ATOM 324 CA ASP A 24 29.364 -7.005 -5.707 1.00 0.00 C ATOM 325 C ASP A 24 29.323 -5.441 -5.705 1.00 0.00 C ATOM 326 O ASP A 24 28.232 -4.863 -5.737 1.00 0.00 O ATOM 327 CB ASP A 24 30.303 -7.673 -4.651 1.00 0.00 C ATOM 328 CG ASP A 24 30.225 -9.203 -4.561 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.027 -9.642 -4.089 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.129 -9.950 -4.919 1.00 0.00 O ATOM 0 H ASP A 24 30.703 -7.512 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 24 28.351 -7.283 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.332 -7.393 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.069 -7.258 -3.671 1.00 0.00 H new ATOM 335 N GLY A 25 30.495 -4.779 -5.689 1.00 0.00 N ATOM 336 CA GLY A 25 30.610 -3.296 -5.671 1.00 0.00 C ATOM 337 C GLY A 25 31.324 -2.775 -4.404 1.00 0.00 C ATOM 338 O GLY A 25 32.452 -3.176 -4.107 1.00 0.00 O ATOM 0 H GLY A 25 31.398 -5.254 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.157 -2.966 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.614 -2.857 -5.730 1.00 0.00 H new ATOM 342 N VAL A 26 30.654 -1.890 -3.654 1.00 0.00 N ATOM 343 CA VAL A 26 31.038 -1.563 -2.238 1.00 0.00 C ATOM 344 C VAL A 26 30.343 -2.558 -1.242 1.00 0.00 C ATOM 345 O VAL A 26 31.024 -3.136 -0.392 1.00 0.00 O ATOM 346 CB VAL A 26 30.779 -0.057 -1.864 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.264 0.319 -0.442 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.411 0.966 -2.835 1.00 0.00 C ATOM 0 H VAL A 26 29.839 -1.377 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 26 32.116 -1.695 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 26 29.693 0.007 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.053 1.371 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.743 -0.294 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.337 0.144 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.181 1.977 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.492 0.828 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.006 0.816 -3.836 1.00 0.00 H new ATOM 358 N GLY A 27 29.012 -2.749 -1.338 1.00 0.00 N ATOM 359 CA GLY A 27 28.327 -3.890 -0.687 1.00 0.00 C ATOM 360 C GLY A 27 28.265 -5.206 -1.516 1.00 0.00 C ATOM 361 O GLY A 27 28.682 -5.222 -2.678 1.00 0.00 O ATOM 0 H GLY A 27 28.389 -2.131 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.830 -4.101 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.308 -3.587 -0.445 1.00 0.00 H new ATOM 365 N PRO A 28 27.723 -6.334 -0.983 1.00 0.00 N ATOM 366 CA PRO A 28 27.512 -7.580 -1.775 1.00 0.00 C ATOM 367 C PRO A 28 26.421 -7.502 -2.893 1.00 0.00 C ATOM 368 O PRO A 28 25.612 -6.575 -2.966 1.00 0.00 O ATOM 369 CB PRO A 28 27.131 -8.569 -0.652 1.00 0.00 C ATOM 370 CG PRO A 28 26.454 -7.708 0.409 1.00 0.00 C ATOM 371 CD PRO A 28 27.321 -6.461 0.430 1.00 0.00 C ATOM 0 HA PRO A 28 28.387 -7.847 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.460 -9.346 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.011 -9.072 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.421 -7.479 0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.433 -8.203 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.768 -5.587 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.182 -6.575 1.089 1.00 0.00 H new ATOM 379 N HIS A 29 26.350 -8.537 -3.739 1.00 0.00 N ATOM 380 CA HIS A 29 25.232 -8.713 -4.702 1.00 0.00 C ATOM 381 C HIS A 29 23.865 -9.008 -3.987 1.00 0.00 C ATOM 382 O HIS A 29 23.761 -9.908 -3.144 1.00 0.00 O ATOM 383 CB HIS A 29 25.632 -9.794 -5.750 1.00 0.00 C ATOM 384 CG HIS A 29 25.921 -11.225 -5.271 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.200 -11.758 -5.176 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.957 -12.216 -5.029 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.873 -13.068 -4.932 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.563 -13.434 -4.791 1.00 0.00 N ATOM 0 H HIS A 29 27.053 -9.275 -3.784 1.00 0.00 H new ATOM 0 HA HIS A 29 25.062 -7.775 -5.231 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.831 -9.849 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.520 -9.435 -6.270 1.00 0.00 H new ATOM 0 HD1 HIS A 29 28.112 -11.309 -5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.890 -12.049 -5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.652 -13.812 -4.851 1.00 0.00 H new ATOM 396 N LEU A 30 22.813 -8.243 -4.316 1.00 0.00 N ATOM 397 CA LEU A 30 21.466 -8.389 -3.673 1.00 0.00 C ATOM 398 C LEU A 30 20.438 -9.311 -4.417 1.00 0.00 C ATOM 399 O LEU A 30 19.252 -9.306 -4.071 1.00 0.00 O ATOM 400 CB LEU A 30 20.903 -6.964 -3.392 1.00 0.00 C ATOM 401 CG LEU A 30 21.617 -6.122 -2.301 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.983 -4.722 -2.229 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.584 -6.750 -0.895 1.00 0.00 C ATOM 0 H LEU A 30 22.854 -7.510 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 30 21.619 -8.935 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.929 -6.400 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.855 -7.064 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 30 22.664 -6.075 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.487 -4.134 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 21.087 -4.226 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.926 -4.814 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.105 -6.098 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.549 -6.874 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.075 -7.723 -0.919 1.00 0.00 H new ATOM 415 N ASN A 31 20.888 -10.166 -5.358 1.00 0.00 N ATOM 416 CA ASN A 31 20.008 -11.131 -6.074 1.00 0.00 C ATOM 417 C ASN A 31 19.393 -12.220 -5.130 1.00 0.00 C ATOM 418 O ASN A 31 20.099 -13.029 -4.515 1.00 0.00 O ATOM 419 CB ASN A 31 20.697 -11.695 -7.348 1.00 0.00 C ATOM 420 CG ASN A 31 22.032 -12.441 -7.233 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.203 -13.402 -6.493 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.029 -12.037 -7.983 1.00 0.00 N ATOM 0 H ASN A 31 21.865 -10.212 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 31 19.140 -10.576 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.989 -12.371 -7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.851 -10.859 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.926 -12.521 -7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.908 -11.239 -8.606 1.00 0.00 H new ATOM 429 N GLY A 32 18.064 -12.154 -4.951 1.00 0.00 N ATOM 430 CA GLY A 32 17.336 -13.017 -3.984 1.00 0.00 C ATOM 431 C GLY A 32 17.534 -12.741 -2.478 1.00 0.00 C ATOM 432 O GLY A 32 17.507 -13.691 -1.698 1.00 0.00 O ATOM 0 H GLY A 32 17.461 -11.510 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.271 -12.938 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.624 -14.051 -4.175 1.00 0.00 H new ATOM 436 N VAL A 33 17.705 -11.474 -2.062 1.00 0.00 N ATOM 437 CA VAL A 33 17.962 -11.117 -0.628 1.00 0.00 C ATOM 438 C VAL A 33 16.753 -11.258 0.370 1.00 0.00 C ATOM 439 O VAL A 33 16.980 -11.534 1.553 1.00 0.00 O ATOM 440 CB VAL A 33 18.726 -9.752 -0.533 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.870 -8.510 -0.867 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.408 -9.546 0.841 1.00 0.00 C ATOM 0 H VAL A 33 17.672 -10.669 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 33 18.616 -11.903 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 33 19.488 -9.836 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.481 -7.612 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.494 -8.591 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.030 -8.450 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.922 -8.585 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.654 -9.562 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.129 -10.345 1.013 1.00 0.00 H new ATOM 452 N VAL A 34 15.493 -11.085 -0.075 1.00 0.00 N ATOM 453 CA VAL A 34 14.284 -11.217 0.797 1.00 0.00 C ATOM 454 C VAL A 34 14.028 -12.737 1.099 1.00 0.00 C ATOM 455 O VAL A 34 13.639 -13.503 0.212 1.00 0.00 O ATOM 456 CB VAL A 34 13.037 -10.500 0.165 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.826 -10.479 1.127 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.283 -9.039 -0.285 1.00 0.00 C ATOM 0 H VAL A 34 15.273 -10.851 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 34 14.462 -10.711 1.746 1.00 0.00 H new ATOM 0 HB VAL A 34 12.833 -11.104 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.988 -9.973 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.540 -11.501 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.095 -9.947 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.366 -8.629 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.586 -8.440 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.071 -9.018 -1.038 1.00 0.00 H new ATOM 468 N GLY A 35 14.305 -13.167 2.341 1.00 0.00 N ATOM 469 CA GLY A 35 14.469 -14.615 2.671 1.00 0.00 C ATOM 470 C GLY A 35 15.888 -15.250 2.610 1.00 0.00 C ATOM 471 O GLY A 35 15.993 -16.464 2.792 1.00 0.00 O ATOM 0 H GLY A 35 14.422 -12.544 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.084 -14.768 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.827 -15.180 1.996 1.00 0.00 H new ATOM 475 N ARG A 36 16.964 -14.475 2.392 1.00 0.00 N ATOM 476 CA ARG A 36 18.372 -14.970 2.421 1.00 0.00 C ATOM 477 C ARG A 36 19.044 -14.658 3.792 1.00 0.00 C ATOM 478 O ARG A 36 18.705 -13.663 4.445 1.00 0.00 O ATOM 479 CB ARG A 36 19.096 -14.260 1.248 1.00 0.00 C ATOM 480 CG ARG A 36 20.487 -14.800 0.836 1.00 0.00 C ATOM 481 CD ARG A 36 21.050 -14.132 -0.438 1.00 0.00 C ATOM 482 NE ARG A 36 21.607 -12.780 -0.150 1.00 0.00 N ATOM 483 CZ ARG A 36 22.139 -11.967 -1.060 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.060 -12.151 -2.355 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.780 -10.917 -0.646 1.00 0.00 N ATOM 0 H ARG A 36 16.892 -13.478 2.188 1.00 0.00 H new ATOM 0 HA ARG A 36 18.421 -16.053 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.445 -14.305 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.207 -13.208 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.186 -14.646 1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.418 -15.876 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.829 -14.763 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.260 -14.049 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 36 21.578 -12.453 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.565 -12.962 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.494 -11.483 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.866 -10.733 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.198 -10.276 -1.320 1.00 0.00 H new ATOM 499 N THR A 37 20.023 -15.478 4.231 1.00 0.00 N ATOM 500 CA THR A 37 20.680 -15.275 5.558 1.00 0.00 C ATOM 501 C THR A 37 21.421 -13.907 5.723 1.00 0.00 C ATOM 502 O THR A 37 21.914 -13.309 4.757 1.00 0.00 O ATOM 503 CB THR A 37 21.491 -16.527 6.020 1.00 0.00 C ATOM 504 OG1 THR A 37 21.421 -16.633 7.438 1.00 0.00 O ATOM 505 CG2 THR A 37 22.982 -16.513 5.653 1.00 0.00 C ATOM 0 H THR A 37 20.377 -16.276 3.703 1.00 0.00 H new ATOM 0 HA THR A 37 19.864 -15.182 6.275 1.00 0.00 H new ATOM 0 HB THR A 37 21.033 -17.365 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.512 -16.885 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.455 -17.425 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.090 -16.457 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.461 -15.648 6.111 1.00 0.00 H new ATOM 513 N VAL A 38 21.528 -13.438 6.972 1.00 0.00 N ATOM 514 CA VAL A 38 22.333 -12.237 7.314 1.00 0.00 C ATOM 515 C VAL A 38 23.852 -12.631 7.362 1.00 0.00 C ATOM 516 O VAL A 38 24.244 -13.618 7.990 1.00 0.00 O ATOM 517 CB VAL A 38 21.786 -11.541 8.605 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.526 -10.213 8.901 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.257 -11.280 8.611 1.00 0.00 C ATOM 0 H VAL A 38 21.068 -13.868 7.774 1.00 0.00 H new ATOM 0 HA VAL A 38 22.239 -11.476 6.540 1.00 0.00 H new ATOM 0 HB VAL A 38 21.984 -12.268 9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.116 -9.762 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.588 -10.412 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.395 -9.529 8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.974 -10.795 9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.995 -10.634 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.726 -12.227 8.518 1.00 0.00 H new ATOM 529 N ALA A 39 24.673 -11.886 6.597 1.00 0.00 N ATOM 530 CA ALA A 39 25.962 -12.381 6.020 1.00 0.00 C ATOM 531 C ALA A 39 25.881 -13.420 4.838 1.00 0.00 C ATOM 532 O ALA A 39 26.843 -14.154 4.585 1.00 0.00 O ATOM 533 CB ALA A 39 26.995 -12.744 7.111 1.00 0.00 C ATOM 0 H ALA A 39 24.470 -10.917 6.354 1.00 0.00 H new ATOM 0 HA ALA A 39 26.341 -11.507 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.912 -13.098 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.213 -11.862 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.589 -13.529 7.750 1.00 0.00 H new ATOM 581 N PHE A 44 31.984 -12.241 -0.176 1.00 0.00 N ATOM 582 CA PHE A 44 32.117 -10.909 0.474 1.00 0.00 C ATOM 583 C PHE A 44 32.591 -11.032 1.965 1.00 0.00 C ATOM 584 O PHE A 44 32.053 -11.819 2.754 1.00 0.00 O ATOM 585 CB PHE A 44 30.760 -10.162 0.315 1.00 0.00 C ATOM 586 CG PHE A 44 30.794 -8.680 0.735 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.556 -8.321 2.066 1.00 0.00 C ATOM 588 CD2 PHE A 44 31.141 -7.689 -0.188 1.00 0.00 C ATOM 589 CE1 PHE A 44 30.696 -7.000 2.477 1.00 0.00 C ATOM 590 CE2 PHE A 44 31.269 -6.363 0.221 1.00 0.00 C ATOM 591 CZ PHE A 44 31.049 -6.020 1.554 1.00 0.00 C ATOM 0 HA PHE A 44 32.897 -10.324 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.445 -10.224 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.004 -10.677 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.261 -9.076 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 44 31.310 -7.952 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 44 30.531 -6.735 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.539 -5.601 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.153 -4.993 1.871 1.00 0.00 H new ATOM 601 N ASN A 45 33.573 -10.200 2.356 1.00 0.00 N ATOM 602 CA ASN A 45 34.052 -10.116 3.762 1.00 0.00 C ATOM 603 C ASN A 45 33.112 -9.211 4.632 1.00 0.00 C ATOM 604 O ASN A 45 33.255 -7.986 4.671 1.00 0.00 O ATOM 605 CB ASN A 45 35.530 -9.640 3.697 1.00 0.00 C ATOM 606 CG ASN A 45 36.273 -9.634 5.037 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.356 -8.624 5.725 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.837 -10.742 5.453 1.00 0.00 N ATOM 0 H ASN A 45 34.058 -9.569 1.718 1.00 0.00 H new ATOM 0 HA ASN A 45 34.017 -11.082 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.072 -10.282 3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.552 -8.632 3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 45 37.338 -10.757 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.774 -11.589 4.889 1.00 0.00 H new ATOM 615 N TYR A 46 32.154 -9.838 5.331 1.00 0.00 N ATOM 616 CA TYR A 46 31.207 -9.127 6.240 1.00 0.00 C ATOM 617 C TYR A 46 31.811 -8.829 7.658 1.00 0.00 C ATOM 618 O TYR A 46 32.806 -9.433 8.074 1.00 0.00 O ATOM 619 CB TYR A 46 29.915 -9.989 6.365 1.00 0.00 C ATOM 620 CG TYR A 46 29.037 -10.127 5.110 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.055 -9.175 4.822 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.163 -11.251 4.287 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.175 -9.372 3.762 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.301 -11.431 3.211 1.00 0.00 C ATOM 625 CZ TYR A 46 27.290 -10.507 2.963 1.00 0.00 C ATOM 626 OH TYR A 46 26.363 -10.755 1.987 1.00 0.00 O ATOM 0 H TYR A 46 32.004 -10.846 5.291 1.00 0.00 H new ATOM 0 HA TYR A 46 30.986 -8.152 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.206 -10.989 6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.302 -9.566 7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.979 -8.282 5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.933 -11.982 4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.403 -8.645 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.416 -12.290 2.566 1.00 0.00 H new ATOM 0 HH TYR A 46 26.592 -11.587 1.522 1.00 0.00 H new ATOM 636 N SER A 47 31.182 -7.922 8.437 1.00 0.00 N ATOM 637 CA SER A 47 31.596 -7.654 9.842 1.00 0.00 C ATOM 638 C SER A 47 31.258 -8.812 10.846 1.00 0.00 C ATOM 639 O SER A 47 30.369 -9.638 10.611 1.00 0.00 O ATOM 640 CB SER A 47 31.029 -6.273 10.268 1.00 0.00 C ATOM 641 OG SER A 47 29.626 -6.286 10.544 1.00 0.00 O ATOM 0 H SER A 47 30.389 -7.363 8.123 1.00 0.00 H new ATOM 0 HA SER A 47 32.685 -7.618 9.879 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.561 -5.930 11.155 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.228 -5.549 9.477 1.00 0.00 H new ATOM 0 HG SER A 47 29.443 -5.736 11.335 1.00 0.00 H new ATOM 647 N ASP A 48 31.961 -8.857 11.994 1.00 0.00 N ATOM 648 CA ASP A 48 31.695 -9.866 13.067 1.00 0.00 C ATOM 649 C ASP A 48 30.235 -9.874 13.666 1.00 0.00 C ATOM 650 O ASP A 48 29.673 -10.973 13.706 1.00 0.00 O ATOM 651 CB ASP A 48 32.785 -9.786 14.171 1.00 0.00 C ATOM 652 CG ASP A 48 34.173 -10.273 13.738 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.421 -11.448 13.489 1.00 0.00 O ATOM 654 OD2 ASP A 48 35.085 -9.258 13.663 1.00 0.00 O ATOM 0 H ASP A 48 32.720 -8.211 12.213 1.00 0.00 H new ATOM 0 HA ASP A 48 31.756 -10.832 12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.866 -8.753 14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.459 -10.376 15.028 1.00 0.00 H new ATOM 659 N PRO A 49 29.552 -8.762 14.090 1.00 0.00 N ATOM 660 CA PRO A 49 28.102 -8.801 14.450 1.00 0.00 C ATOM 661 C PRO A 49 27.080 -9.042 13.281 1.00 0.00 C ATOM 662 O PRO A 49 25.993 -9.570 13.528 1.00 0.00 O ATOM 663 CB PRO A 49 27.931 -7.461 15.185 1.00 0.00 C ATOM 664 CG PRO A 49 28.937 -6.522 14.521 1.00 0.00 C ATOM 665 CD PRO A 49 30.113 -7.397 14.106 1.00 0.00 C ATOM 0 HA PRO A 49 27.856 -9.679 15.048 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.913 -7.083 15.088 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.132 -7.566 16.251 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.496 -6.025 13.657 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.256 -5.740 15.210 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.497 -7.112 13.127 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.941 -7.314 14.810 1.00 0.00 H new ATOM 673 N MET A 50 27.435 -8.723 12.020 1.00 0.00 N ATOM 674 CA MET A 50 26.727 -9.246 10.816 1.00 0.00 C ATOM 675 C MET A 50 26.788 -10.805 10.650 1.00 0.00 C ATOM 676 O MET A 50 25.740 -11.441 10.508 1.00 0.00 O ATOM 677 CB MET A 50 27.296 -8.463 9.602 1.00 0.00 C ATOM 678 CG MET A 50 26.567 -8.690 8.271 1.00 0.00 C ATOM 679 SD MET A 50 24.876 -8.090 8.385 1.00 0.00 S ATOM 680 CE MET A 50 24.822 -6.946 7.003 1.00 0.00 C ATOM 0 H MET A 50 28.213 -8.101 11.800 1.00 0.00 H new ATOM 0 HA MET A 50 25.655 -9.077 10.914 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.270 -7.398 9.834 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.343 -8.736 9.474 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.091 -8.173 7.467 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.569 -9.751 8.022 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.795 -6.849 6.651 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.190 -5.971 7.323 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.448 -7.323 6.194 1.00 0.00 H new ATOM 690 N LYS A 51 27.989 -11.417 10.707 1.00 0.00 N ATOM 691 CA LYS A 51 28.152 -12.901 10.751 1.00 0.00 C ATOM 692 C LYS A 51 27.542 -13.612 12.009 1.00 0.00 C ATOM 693 O LYS A 51 26.924 -14.668 11.856 1.00 0.00 O ATOM 694 CB LYS A 51 29.654 -13.260 10.565 1.00 0.00 C ATOM 695 CG LYS A 51 30.261 -12.922 9.181 1.00 0.00 C ATOM 696 CD LYS A 51 31.728 -13.380 9.040 1.00 0.00 C ATOM 697 CE LYS A 51 32.392 -13.024 7.696 1.00 0.00 C ATOM 698 NZ LYS A 51 31.867 -13.838 6.578 1.00 0.00 N ATOM 0 H LYS A 51 28.873 -10.908 10.724 1.00 0.00 H new ATOM 0 HA LYS A 51 27.560 -13.293 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.230 -12.740 11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.778 -14.328 10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.662 -13.394 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.205 -11.846 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.311 -12.935 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 51 31.771 -14.461 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.229 -11.968 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.469 -13.171 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 32.343 -13.563 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 32.045 -14.845 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 30.844 -13.679 6.484 1.00 0.00 H new ATOM 711 N ALA A 52 27.665 -13.037 13.223 1.00 0.00 N ATOM 712 CA ALA A 52 26.930 -13.521 14.427 1.00 0.00 C ATOM 713 C ALA A 52 25.363 -13.412 14.439 1.00 0.00 C ATOM 714 O ALA A 52 24.732 -14.128 15.221 1.00 0.00 O ATOM 715 CB ALA A 52 27.547 -12.797 15.637 1.00 0.00 C ATOM 0 H ALA A 52 28.267 -12.234 13.404 1.00 0.00 H new ATOM 0 HA ALA A 52 27.060 -14.603 14.444 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.042 -13.117 16.549 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.607 -13.040 15.705 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.429 -11.720 15.516 1.00 0.00 H new ATOM 721 N HIS A 53 24.727 -12.580 13.585 1.00 0.00 N ATOM 722 CA HIS A 53 23.253 -12.627 13.349 1.00 0.00 C ATOM 723 C HIS A 53 22.799 -13.959 12.652 1.00 0.00 C ATOM 724 O HIS A 53 22.064 -14.737 13.266 1.00 0.00 O ATOM 725 CB HIS A 53 22.835 -11.313 12.617 1.00 0.00 C ATOM 726 CG HIS A 53 21.331 -10.992 12.514 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.331 -11.907 12.198 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.783 -9.697 12.596 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.253 -11.064 12.138 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.422 -9.724 12.352 1.00 0.00 N ATOM 0 H HIS A 53 25.207 -11.862 13.042 1.00 0.00 H new ATOM 0 HA HIS A 53 22.714 -12.658 14.296 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.321 -10.479 13.123 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.239 -11.351 11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.349 -8.804 12.819 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.271 -11.457 11.922 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.741 -8.964 12.336 1.00 0.00 H new ATOM 738 N GLY A 54 23.204 -14.219 11.390 1.00 0.00 N ATOM 739 CA GLY A 54 22.708 -15.391 10.618 1.00 0.00 C ATOM 740 C GLY A 54 21.207 -15.317 10.254 1.00 0.00 C ATOM 741 O GLY A 54 20.749 -14.312 9.713 1.00 0.00 O ATOM 0 H GLY A 54 23.871 -13.638 10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.289 -15.481 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.886 -16.296 11.198 1.00 0.00 H new ATOM 745 N GLY A 55 20.428 -16.378 10.520 1.00 0.00 N ATOM 746 CA GLY A 55 18.942 -16.331 10.375 1.00 0.00 C ATOM 747 C GLY A 55 18.434 -16.003 8.953 1.00 0.00 C ATOM 748 O GLY A 55 18.871 -16.658 8.001 1.00 0.00 O ATOM 0 H GLY A 55 20.788 -17.279 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.532 -17.295 10.678 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.548 -15.586 11.066 1.00 0.00 H new ATOM 752 N ASP A 56 17.581 -14.969 8.806 1.00 0.00 N ATOM 753 CA ASP A 56 17.182 -14.445 7.469 1.00 0.00 C ATOM 754 C ASP A 56 16.828 -12.926 7.440 1.00 0.00 C ATOM 755 O ASP A 56 16.267 -12.365 8.388 1.00 0.00 O ATOM 756 CB ASP A 56 15.977 -15.241 6.886 1.00 0.00 C ATOM 757 CG ASP A 56 16.233 -16.670 6.417 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.167 -16.733 5.431 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.646 -17.650 6.863 1.00 0.00 O ATOM 0 H ASP A 56 17.152 -14.477 9.590 1.00 0.00 H new ATOM 0 HA ASP A 56 18.073 -14.580 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.196 -15.272 7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.579 -14.677 6.042 1.00 0.00 H new ATOM 764 N TRP A 57 17.043 -12.300 6.263 1.00 0.00 N ATOM 765 CA TRP A 57 16.444 -10.984 5.920 1.00 0.00 C ATOM 766 C TRP A 57 14.955 -11.100 5.465 1.00 0.00 C ATOM 767 O TRP A 57 14.635 -11.148 4.274 1.00 0.00 O ATOM 768 CB TRP A 57 17.338 -10.256 4.868 1.00 0.00 C ATOM 769 CG TRP A 57 18.559 -9.508 5.421 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.898 -9.718 5.023 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.619 -8.600 6.474 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.794 -8.976 5.821 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.983 -8.332 6.736 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.611 -8.087 7.339 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.353 -7.655 7.919 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.002 -7.405 8.487 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.354 -7.216 8.786 1.00 0.00 C ATOM 0 H TRP A 57 17.632 -12.686 5.525 1.00 0.00 H new ATOM 0 HA TRP A 57 16.417 -10.376 6.825 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.686 -10.993 4.145 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.717 -9.544 4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.198 -10.364 4.211 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.810 -8.926 5.741 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.565 -8.224 7.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.394 -7.480 8.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.250 -7.016 9.157 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.630 -6.721 9.705 1.00 0.00 H new ATOM 788 N THR A 58 14.039 -11.106 6.444 1.00 0.00 N ATOM 789 CA THR A 58 12.565 -11.146 6.204 1.00 0.00 C ATOM 790 C THR A 58 11.972 -9.788 5.661 1.00 0.00 C ATOM 791 O THR A 58 12.576 -8.733 5.912 1.00 0.00 O ATOM 792 CB THR A 58 11.838 -11.580 7.523 1.00 0.00 C ATOM 793 OG1 THR A 58 12.098 -10.678 8.594 1.00 0.00 O ATOM 794 CG2 THR A 58 12.173 -12.995 8.027 1.00 0.00 C ATOM 0 H THR A 58 14.287 -11.083 7.433 1.00 0.00 H new ATOM 0 HA THR A 58 12.389 -11.877 5.415 1.00 0.00 H new ATOM 0 HB THR A 58 10.787 -11.569 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.627 -10.981 9.398 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.618 -13.196 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.896 -13.727 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.242 -13.066 8.227 1.00 0.00 H new ATOM 802 N PRO A 59 10.775 -9.725 4.988 1.00 0.00 N ATOM 803 CA PRO A 59 10.111 -8.427 4.624 1.00 0.00 C ATOM 804 C PRO A 59 9.482 -7.607 5.817 1.00 0.00 C ATOM 805 O PRO A 59 8.311 -7.219 5.824 1.00 0.00 O ATOM 806 CB PRO A 59 9.091 -8.924 3.575 1.00 0.00 C ATOM 807 CG PRO A 59 8.712 -10.337 4.012 1.00 0.00 C ATOM 808 CD PRO A 59 10.024 -10.917 4.533 1.00 0.00 C ATOM 0 HA PRO A 59 10.810 -7.673 4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.215 -8.276 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.525 -8.926 2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.944 -10.325 4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.318 -10.921 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.856 -11.620 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.562 -11.456 3.753 1.00 0.00 H new ATOM 816 N GLU A 60 10.317 -7.350 6.830 1.00 0.00 N ATOM 817 CA GLU A 60 9.918 -6.940 8.206 1.00 0.00 C ATOM 818 C GLU A 60 11.230 -6.558 8.974 1.00 0.00 C ATOM 819 O GLU A 60 11.416 -5.384 9.306 1.00 0.00 O ATOM 820 CB GLU A 60 9.065 -8.037 8.914 1.00 0.00 C ATOM 821 CG GLU A 60 8.518 -7.643 10.308 1.00 0.00 C ATOM 822 CD GLU A 60 7.724 -8.762 10.978 1.00 0.00 C ATOM 823 OE1 GLU A 60 8.239 -9.683 11.605 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.381 -8.626 10.801 1.00 0.00 O ATOM 0 H GLU A 60 11.329 -7.421 6.723 1.00 0.00 H new ATOM 0 HA GLU A 60 9.259 -6.072 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.224 -8.294 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.672 -8.936 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.351 -7.361 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.881 -6.764 10.207 1.00 0.00 H new ATOM 831 N ALA A 61 12.182 -7.505 9.174 1.00 0.00 N ATOM 832 CA ALA A 61 13.592 -7.179 9.532 1.00 0.00 C ATOM 833 C ALA A 61 14.337 -6.213 8.549 1.00 0.00 C ATOM 834 O ALA A 61 14.941 -5.243 9.013 1.00 0.00 O ATOM 835 CB ALA A 61 14.339 -8.514 9.721 1.00 0.00 C ATOM 0 H ALA A 61 12.000 -8.505 9.094 1.00 0.00 H new ATOM 0 HA ALA A 61 13.574 -6.599 10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.378 -8.315 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.865 -9.086 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.303 -9.086 8.794 1.00 0.00 H new ATOM 841 N LEU A 62 14.223 -6.401 7.214 1.00 0.00 N ATOM 842 CA LEU A 62 14.572 -5.343 6.216 1.00 0.00 C ATOM 843 C LEU A 62 13.804 -3.985 6.349 1.00 0.00 C ATOM 844 O LEU A 62 14.405 -2.949 6.082 1.00 0.00 O ATOM 845 CB LEU A 62 14.390 -5.866 4.766 1.00 0.00 C ATOM 846 CG LEU A 62 15.315 -7.009 4.278 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.798 -7.584 2.950 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.759 -6.511 4.084 1.00 0.00 C ATOM 0 H LEU A 62 13.893 -7.271 6.796 1.00 0.00 H new ATOM 0 HA LEU A 62 15.615 -5.123 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.359 -6.204 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.519 -5.022 4.089 1.00 0.00 H new ATOM 0 HG LEU A 62 15.310 -7.786 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.458 -8.386 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.791 -7.977 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.778 -6.797 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.385 -7.335 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.772 -5.712 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.144 -6.133 5.031 1.00 0.00 H new ATOM 860 N GLN A 63 12.518 -3.946 6.746 1.00 0.00 N ATOM 861 CA GLN A 63 11.796 -2.655 6.986 1.00 0.00 C ATOM 862 C GLN A 63 12.267 -1.795 8.209 1.00 0.00 C ATOM 863 O GLN A 63 12.131 -0.567 8.168 1.00 0.00 O ATOM 864 CB GLN A 63 10.259 -2.877 7.035 1.00 0.00 C ATOM 865 CG GLN A 63 9.613 -3.352 5.708 1.00 0.00 C ATOM 866 CD GLN A 63 8.085 -3.252 5.632 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.429 -2.469 6.310 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.467 -4.007 4.758 1.00 0.00 N ATOM 0 H GLN A 63 11.951 -4.778 6.910 1.00 0.00 H new ATOM 0 HA GLN A 63 12.071 -2.050 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.040 -3.612 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.784 -1.944 7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.037 -2.768 4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.898 -4.390 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.998 -4.664 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.455 -3.938 4.650 1.00 0.00 H new ATOM 877 N GLU A 64 12.824 -2.412 9.266 1.00 0.00 N ATOM 878 CA GLU A 64 13.634 -1.689 10.288 1.00 0.00 C ATOM 879 C GLU A 64 15.127 -1.465 9.853 1.00 0.00 C ATOM 880 O GLU A 64 15.612 -0.335 9.949 1.00 0.00 O ATOM 881 CB GLU A 64 13.460 -2.417 11.647 1.00 0.00 C ATOM 882 CG GLU A 64 13.921 -1.584 12.870 1.00 0.00 C ATOM 883 CD GLU A 64 13.732 -2.292 14.209 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.443 -2.240 14.644 1.00 0.00 O ATOM 885 OE2 GLU A 64 14.637 -2.839 14.829 1.00 0.00 O ATOM 0 H GLU A 64 12.733 -3.412 9.444 1.00 0.00 H new ATOM 0 HA GLU A 64 13.264 -0.670 10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.410 -2.681 11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.023 -3.350 11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.975 -1.332 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.369 -0.644 12.886 1.00 0.00 H new ATOM 892 N PHE A 65 15.845 -2.491 9.347 1.00 0.00 N ATOM 893 CA PHE A 65 17.239 -2.347 8.823 1.00 0.00 C ATOM 894 C PHE A 65 17.430 -1.350 7.640 1.00 0.00 C ATOM 895 O PHE A 65 18.391 -0.587 7.665 1.00 0.00 O ATOM 896 CB PHE A 65 17.751 -3.766 8.481 1.00 0.00 C ATOM 897 CG PHE A 65 19.200 -3.912 7.977 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.279 -3.864 8.867 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.432 -4.257 6.641 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.556 -4.219 8.443 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.708 -4.624 6.226 1.00 0.00 C ATOM 902 CZ PHE A 65 21.760 -4.644 7.135 1.00 0.00 C ATOM 0 H PHE A 65 15.484 -3.443 9.286 1.00 0.00 H new ATOM 0 HA PHE A 65 17.835 -1.881 9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.644 -4.383 9.373 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.090 -4.185 7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.120 -3.550 9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.619 -4.238 5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.388 -4.164 9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.882 -4.894 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.735 -4.990 6.825 1.00 0.00 H new ATOM 912 N LEU A 66 16.540 -1.291 6.636 1.00 0.00 N ATOM 913 CA LEU A 66 16.567 -0.192 5.623 1.00 0.00 C ATOM 914 C LEU A 66 16.176 1.251 6.104 1.00 0.00 C ATOM 915 O LEU A 66 16.275 2.183 5.308 1.00 0.00 O ATOM 916 CB LEU A 66 15.768 -0.649 4.368 1.00 0.00 C ATOM 917 CG LEU A 66 16.287 -1.909 3.618 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.428 -2.188 2.374 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.772 -1.793 3.234 1.00 0.00 C ATOM 0 H LEU A 66 15.797 -1.976 6.494 1.00 0.00 H new ATOM 0 HA LEU A 66 17.620 -0.044 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.738 -0.837 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.745 0.180 3.661 1.00 0.00 H new ATOM 0 HG LEU A 66 16.200 -2.750 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.806 -3.073 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.394 -2.357 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.474 -1.332 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.085 -2.698 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.913 -0.931 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.372 -1.667 4.135 1.00 0.00 H new ATOM 931 N THR A 67 15.812 1.465 7.380 1.00 0.00 N ATOM 932 CA THR A 67 15.675 2.819 8.007 1.00 0.00 C ATOM 933 C THR A 67 16.730 3.113 9.123 1.00 0.00 C ATOM 934 O THR A 67 17.194 4.249 9.220 1.00 0.00 O ATOM 935 CB THR A 67 14.194 3.020 8.422 1.00 0.00 C ATOM 936 OG1 THR A 67 13.421 3.066 7.235 1.00 0.00 O ATOM 937 CG2 THR A 67 13.848 4.317 9.164 1.00 0.00 C ATOM 0 H THR A 67 15.599 0.703 8.024 1.00 0.00 H new ATOM 0 HA THR A 67 15.922 3.585 7.272 1.00 0.00 H new ATOM 0 HB THR A 67 13.992 2.196 9.106 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.209 3.998 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.783 4.331 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.421 4.370 10.090 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.094 5.173 8.535 1.00 0.00 H new ATOM 945 N ASN A 68 17.110 2.147 9.971 1.00 0.00 N ATOM 946 CA ASN A 68 18.252 2.276 10.911 1.00 0.00 C ATOM 947 C ASN A 68 19.136 0.978 10.774 1.00 0.00 C ATOM 948 O ASN A 68 18.994 0.067 11.600 1.00 0.00 O ATOM 949 CB ASN A 68 17.696 2.573 12.335 1.00 0.00 C ATOM 950 CG ASN A 68 17.545 4.030 12.791 1.00 0.00 C ATOM 951 OD1 ASN A 68 18.014 4.414 13.856 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.889 4.891 12.058 1.00 0.00 N ATOM 0 H ASN A 68 16.636 1.246 10.031 1.00 0.00 H new ATOM 0 HA ASN A 68 18.911 3.114 10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.715 2.103 12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.345 2.070 13.052 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.779 5.853 12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.487 4.600 11.167 1.00 0.00 H new ATOM 959 N PRO A 69 20.079 0.853 9.780 1.00 0.00 N ATOM 960 CA PRO A 69 20.978 -0.332 9.633 1.00 0.00 C ATOM 961 C PRO A 69 21.807 -0.755 10.881 1.00 0.00 C ATOM 962 O PRO A 69 21.824 -1.926 11.268 1.00 0.00 O ATOM 963 CB PRO A 69 21.868 0.051 8.422 1.00 0.00 C ATOM 964 CG PRO A 69 21.076 1.082 7.619 1.00 0.00 C ATOM 965 CD PRO A 69 20.166 1.768 8.631 1.00 0.00 C ATOM 0 HA PRO A 69 20.384 -1.235 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.820 0.465 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.096 -0.825 7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.740 1.800 7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.496 0.604 6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.573 2.734 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.180 1.956 8.206 1.00 0.00 H new ATOM 973 N LYS A 70 22.429 0.244 11.522 1.00 0.00 N ATOM 974 CA LYS A 70 23.157 0.070 12.814 1.00 0.00 C ATOM 975 C LYS A 70 22.294 -0.204 14.099 1.00 0.00 C ATOM 976 O LYS A 70 22.841 -0.654 15.106 1.00 0.00 O ATOM 977 CB LYS A 70 24.096 1.289 13.047 1.00 0.00 C ATOM 978 CG LYS A 70 25.146 1.504 11.935 1.00 0.00 C ATOM 979 CD LYS A 70 26.350 2.369 12.345 1.00 0.00 C ATOM 980 CE LYS A 70 27.375 2.479 11.204 1.00 0.00 C ATOM 981 NZ LYS A 70 28.511 3.322 11.624 1.00 0.00 N ATOM 0 H LYS A 70 22.449 1.201 11.170 1.00 0.00 H new ATOM 0 HA LYS A 70 23.712 -0.859 12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.488 2.189 13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.612 1.158 13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.511 0.531 11.606 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.658 1.968 11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.006 3.365 12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.827 1.938 13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.731 1.487 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.902 2.906 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.198 3.391 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.167 4.273 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.970 2.897 12.455 1.00 0.00 H new ATOM 994 N ALA A 71 20.972 0.040 14.084 1.00 0.00 N ATOM 995 CA ALA A 71 20.048 -0.453 15.146 1.00 0.00 C ATOM 996 C ALA A 71 19.727 -1.985 15.096 1.00 0.00 C ATOM 997 O ALA A 71 19.728 -2.635 16.143 1.00 0.00 O ATOM 998 CB ALA A 71 18.772 0.404 15.081 1.00 0.00 C ATOM 0 H ALA A 71 20.509 0.576 13.350 1.00 0.00 H new ATOM 0 HA ALA A 71 20.554 -0.342 16.105 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.071 0.071 15.846 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.027 1.450 15.253 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.313 0.299 14.098 1.00 0.00 H new ATOM 1004 N VAL A 72 19.468 -2.563 13.904 1.00 0.00 N ATOM 1005 CA VAL A 72 19.284 -4.039 13.733 1.00 0.00 C ATOM 1006 C VAL A 72 20.656 -4.807 13.760 1.00 0.00 C ATOM 1007 O VAL A 72 20.789 -5.765 14.525 1.00 0.00 O ATOM 1008 CB VAL A 72 18.392 -4.323 12.472 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.246 -5.821 12.126 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.954 -3.763 12.573 1.00 0.00 C ATOM 0 H VAL A 72 19.379 -2.036 13.035 1.00 0.00 H new ATOM 0 HA VAL A 72 18.740 -4.442 14.587 1.00 0.00 H new ATOM 0 HB VAL A 72 18.946 -3.804 11.690 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.616 -5.931 11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.230 -6.245 11.924 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.790 -6.346 12.965 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.406 -4.002 11.662 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.449 -4.210 13.429 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.993 -2.681 12.699 1.00 0.00 H new ATOM 1020 N VAL A 73 21.657 -4.416 12.943 1.00 0.00 N ATOM 1021 CA VAL A 73 23.035 -4.993 13.018 1.00 0.00 C ATOM 1022 C VAL A 73 23.971 -3.888 13.603 1.00 0.00 C ATOM 1023 O VAL A 73 24.540 -3.081 12.858 1.00 0.00 O ATOM 1024 CB VAL A 73 23.524 -5.524 11.626 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.950 -6.124 11.670 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.623 -6.599 10.980 1.00 0.00 C ATOM 0 H VAL A 73 21.546 -3.704 12.221 1.00 0.00 H new ATOM 0 HA VAL A 73 23.047 -5.866 13.670 1.00 0.00 H new ATOM 0 HB VAL A 73 23.492 -4.618 11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.229 -6.473 10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.656 -5.361 11.998 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.971 -6.961 12.368 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.046 -6.901 10.022 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.561 -7.465 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.625 -6.191 10.823 1.00 0.00 H new ATOM 1036 N LYS A 74 24.170 -3.873 14.932 1.00 0.00 N ATOM 1037 CA LYS A 74 25.092 -2.910 15.597 1.00 0.00 C ATOM 1038 C LYS A 74 26.596 -3.243 15.321 1.00 0.00 C ATOM 1039 O LYS A 74 27.119 -4.274 15.749 1.00 0.00 O ATOM 1040 CB LYS A 74 24.699 -2.735 17.093 1.00 0.00 C ATOM 1041 CG LYS A 74 25.037 -3.839 18.129 1.00 0.00 C ATOM 1042 CD LYS A 74 24.272 -5.168 17.962 1.00 0.00 C ATOM 1043 CE LYS A 74 24.534 -6.141 19.121 1.00 0.00 C ATOM 1044 NZ LYS A 74 23.772 -7.388 18.910 1.00 0.00 N ATOM 0 H LYS A 74 23.708 -4.515 15.576 1.00 0.00 H new ATOM 0 HA LYS A 74 24.973 -1.923 15.150 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.164 -1.813 17.442 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.620 -2.581 17.127 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.106 -4.047 18.076 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.837 -3.449 19.127 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.203 -4.964 17.897 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.565 -5.638 17.023 1.00 0.00 H new ATOM 0 HE2 LYS A 74 25.599 -6.362 19.188 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.243 -5.682 20.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.953 -8.043 19.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.756 -7.171 18.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.070 -7.830 18.017 1.00 0.00 H new ATOM 1057 N GLY A 75 27.252 -2.391 14.518 1.00 0.00 N ATOM 1058 CA GLY A 75 28.513 -2.759 13.814 1.00 0.00 C ATOM 1059 C GLY A 75 28.386 -3.395 12.404 1.00 0.00 C ATOM 1060 O GLY A 75 29.202 -4.249 12.040 1.00 0.00 O ATOM 0 H GLY A 75 26.938 -1.438 14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.123 -1.860 13.724 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.062 -3.454 14.449 1.00 0.00 H new ATOM 1064 N THR A 76 27.436 -2.939 11.568 1.00 0.00 N ATOM 1065 CA THR A 76 27.445 -3.193 10.108 1.00 0.00 C ATOM 1066 C THR A 76 28.449 -2.229 9.404 1.00 0.00 C ATOM 1067 O THR A 76 28.432 -1.014 9.631 1.00 0.00 O ATOM 1068 CB THR A 76 25.989 -3.100 9.553 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.955 -3.603 8.224 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.281 -1.737 9.517 1.00 0.00 C ATOM 0 H THR A 76 26.639 -2.384 11.881 1.00 0.00 H new ATOM 0 HA THR A 76 27.796 -4.203 9.896 1.00 0.00 H new ATOM 0 HB THR A 76 25.439 -3.681 10.293 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.041 -3.546 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.280 -1.858 9.103 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.209 -1.337 10.529 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.851 -1.047 8.894 1.00 0.00 H new ATOM 1078 N LYS A 77 29.262 -2.750 8.473 1.00 0.00 N ATOM 1079 CA LYS A 77 29.988 -1.886 7.486 1.00 0.00 C ATOM 1080 C LYS A 77 29.097 -1.196 6.379 1.00 0.00 C ATOM 1081 O LYS A 77 29.638 -0.602 5.442 1.00 0.00 O ATOM 1082 CB LYS A 77 31.146 -2.731 6.880 1.00 0.00 C ATOM 1083 CG LYS A 77 32.351 -2.973 7.822 1.00 0.00 C ATOM 1084 CD LYS A 77 33.529 -3.726 7.169 1.00 0.00 C ATOM 1085 CE LYS A 77 33.247 -5.206 6.857 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.454 -5.842 6.298 1.00 0.00 N ATOM 0 H LYS A 77 29.442 -3.749 8.370 1.00 0.00 H new ATOM 0 HA LYS A 77 30.372 -1.024 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.746 -3.697 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.504 -2.233 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.709 -2.011 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.011 -3.538 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 77 33.800 -3.218 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 77 34.393 -3.666 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 77 32.939 -5.725 7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 77 32.422 -5.286 6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.176 -6.637 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.986 -5.145 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.052 -6.193 7.073 1.00 0.00 H new ATOM 1099 N MET A 78 27.750 -1.213 6.499 1.00 0.00 N ATOM 1100 CA MET A 78 26.836 -0.514 5.565 1.00 0.00 C ATOM 1101 C MET A 78 26.694 0.978 5.994 1.00 0.00 C ATOM 1102 O MET A 78 25.931 1.310 6.910 1.00 0.00 O ATOM 1103 CB MET A 78 25.505 -1.320 5.486 1.00 0.00 C ATOM 1104 CG MET A 78 24.422 -0.656 4.608 1.00 0.00 C ATOM 1105 SD MET A 78 23.352 -1.826 3.669 1.00 0.00 S ATOM 1106 CE MET A 78 21.781 -0.963 4.080 1.00 0.00 C ATOM 0 H MET A 78 27.266 -1.711 7.246 1.00 0.00 H new ATOM 0 HA MET A 78 27.227 -0.476 4.548 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.717 -2.315 5.094 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.111 -1.452 6.494 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.788 -0.039 5.245 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.910 0.014 3.900 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.946 -1.488 3.616 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.646 -0.949 5.161 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.819 0.060 3.706 1.00 0.00 H new ATOM 1116 N ALA A 79 27.420 1.878 5.303 1.00 0.00 N ATOM 1117 CA ALA A 79 27.353 3.340 5.570 1.00 0.00 C ATOM 1118 C ALA A 79 26.102 4.022 4.921 1.00 0.00 C ATOM 1119 O ALA A 79 26.193 4.791 3.959 1.00 0.00 O ATOM 1120 CB ALA A 79 28.706 3.917 5.108 1.00 0.00 C ATOM 0 H ALA A 79 28.063 1.624 4.553 1.00 0.00 H new ATOM 0 HA ALA A 79 27.206 3.545 6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.720 4.993 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.513 3.450 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.843 3.716 4.045 1.00 0.00 H new ATOM 1126 N PHE A 80 24.920 3.708 5.477 1.00 0.00 N ATOM 1127 CA PHE A 80 23.612 4.130 4.923 1.00 0.00 C ATOM 1128 C PHE A 80 22.774 4.837 6.034 1.00 0.00 C ATOM 1129 O PHE A 80 22.550 4.293 7.121 1.00 0.00 O ATOM 1130 CB PHE A 80 22.934 2.878 4.300 1.00 0.00 C ATOM 1131 CG PHE A 80 21.595 3.147 3.596 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.542 3.954 2.453 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.410 2.615 4.113 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.322 4.236 1.847 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.192 2.895 3.504 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.149 3.712 2.380 1.00 0.00 C ATOM 0 H PHE A 80 24.839 3.152 6.328 1.00 0.00 H new ATOM 0 HA PHE A 80 23.717 4.869 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.621 2.431 3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.772 2.142 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.453 4.360 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.441 1.984 4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.286 4.860 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.280 2.478 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.200 3.941 1.918 1.00 0.00 H new ATOM 1146 N ALA A 81 22.281 6.049 5.733 1.00 0.00 N ATOM 1147 CA ALA A 81 21.465 6.852 6.687 1.00 0.00 C ATOM 1148 C ALA A 81 19.964 6.450 6.878 1.00 0.00 C ATOM 1149 O ALA A 81 19.358 6.888 7.860 1.00 0.00 O ATOM 1150 CB ALA A 81 21.595 8.315 6.220 1.00 0.00 C ATOM 0 H ALA A 81 22.429 6.505 4.833 1.00 0.00 H new ATOM 0 HA ALA A 81 21.862 6.665 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.017 8.961 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.643 8.614 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.217 8.407 5.202 1.00 0.00 H new ATOM 1156 N GLY A 82 19.374 5.642 5.976 1.00 0.00 N ATOM 1157 CA GLY A 82 17.977 5.162 6.127 1.00 0.00 C ATOM 1158 C GLY A 82 16.922 5.720 5.146 1.00 0.00 C ATOM 1159 O GLY A 82 16.942 6.887 4.746 1.00 0.00 O ATOM 0 H GLY A 82 19.839 5.305 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.982 4.076 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.649 5.393 7.141 1.00 0.00 H new ATOM 1163 N LEU A 83 15.926 4.877 4.843 1.00 0.00 N ATOM 1164 CA LEU A 83 14.712 5.268 4.079 1.00 0.00 C ATOM 1165 C LEU A 83 13.582 5.855 5.001 1.00 0.00 C ATOM 1166 O LEU A 83 13.313 5.262 6.054 1.00 0.00 O ATOM 1167 CB LEU A 83 14.175 4.028 3.309 1.00 0.00 C ATOM 1168 CG LEU A 83 15.051 3.503 2.144 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.454 2.223 1.555 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.186 4.531 1.013 1.00 0.00 C ATOM 0 H LEU A 83 15.931 3.895 5.119 1.00 0.00 H new ATOM 0 HA LEU A 83 14.996 6.057 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.036 3.217 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.190 4.274 2.911 1.00 0.00 H new ATOM 0 HG LEU A 83 16.037 3.307 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.084 1.870 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.400 1.457 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.452 2.429 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.808 4.119 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.199 4.766 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.647 5.440 1.400 1.00 0.00 H new ATOM 1182 N PRO A 84 12.868 6.967 4.658 1.00 0.00 N ATOM 1183 CA PRO A 84 11.896 7.610 5.587 1.00 0.00 C ATOM 1184 C PRO A 84 10.474 6.961 5.660 1.00 0.00 C ATOM 1185 O PRO A 84 10.007 6.657 6.762 1.00 0.00 O ATOM 1186 CB PRO A 84 11.919 9.068 5.082 1.00 0.00 C ATOM 1187 CG PRO A 84 12.203 8.978 3.578 1.00 0.00 C ATOM 1188 CD PRO A 84 13.111 7.755 3.430 1.00 0.00 C ATOM 0 HA PRO A 84 12.176 7.496 6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.967 9.564 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.688 9.648 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.282 8.860 3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.691 9.881 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.865 7.183 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.158 8.045 3.345 1.00 0.00 H new ATOM 1196 N LYS A 85 9.787 6.739 4.523 1.00 0.00 N ATOM 1197 CA LYS A 85 8.401 6.199 4.500 1.00 0.00 C ATOM 1198 C LYS A 85 8.393 4.641 4.546 1.00 0.00 C ATOM 1199 O LYS A 85 9.274 3.966 3.998 1.00 0.00 O ATOM 1200 CB LYS A 85 7.666 6.688 3.221 1.00 0.00 C ATOM 1201 CG LYS A 85 7.539 8.222 3.039 1.00 0.00 C ATOM 1202 CD LYS A 85 6.852 8.664 1.726 1.00 0.00 C ATOM 1203 CE LYS A 85 7.601 8.384 0.406 1.00 0.00 C ATOM 1204 NZ LYS A 85 8.886 9.113 0.305 1.00 0.00 N ATOM 0 H LYS A 85 10.169 6.926 3.596 1.00 0.00 H new ATOM 0 HA LYS A 85 7.884 6.566 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.187 6.284 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.663 6.260 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.978 8.629 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.535 8.662 3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.880 8.174 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.666 9.736 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.789 7.314 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.964 8.663 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.059 9.376 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.845 9.972 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.659 8.503 0.641 1.00 0.00 H new ATOM 1217 N ILE A 86 7.352 4.060 5.163 1.00 0.00 N ATOM 1218 CA ILE A 86 7.046 2.592 5.051 1.00 0.00 C ATOM 1219 C ILE A 86 6.859 2.085 3.576 1.00 0.00 C ATOM 1220 O ILE A 86 7.399 1.034 3.221 1.00 0.00 O ATOM 1221 CB ILE A 86 5.891 2.221 6.052 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.774 0.704 6.396 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.504 2.842 5.738 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.096 -0.235 5.378 1.00 0.00 C ATOM 0 H ILE A 86 6.695 4.572 5.751 1.00 0.00 H new ATOM 0 HA ILE A 86 7.925 2.027 5.360 1.00 0.00 H new ATOM 0 HB ILE A 86 6.235 2.715 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.781 0.327 6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.231 0.619 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.783 2.521 6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.581 3.929 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.172 2.513 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.095 -1.253 5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.069 0.090 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.644 -0.207 4.436 1.00 0.00 H new ATOM 1236 N GLU A 87 6.205 2.882 2.703 1.00 0.00 N ATOM 1237 CA GLU A 87 6.180 2.628 1.236 1.00 0.00 C ATOM 1238 C GLU A 87 7.569 2.635 0.519 1.00 0.00 C ATOM 1239 O GLU A 87 7.726 1.872 -0.430 1.00 0.00 O ATOM 1240 CB GLU A 87 5.208 3.612 0.526 1.00 0.00 C ATOM 1241 CG GLU A 87 3.722 3.546 0.964 1.00 0.00 C ATOM 1242 CD GLU A 87 2.798 4.382 0.081 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.669 5.596 0.210 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.150 3.631 -0.860 1.00 0.00 O ATOM 0 H GLU A 87 5.683 3.712 2.986 1.00 0.00 H new ATOM 0 HA GLU A 87 5.824 1.602 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.568 4.627 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.257 3.427 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.390 2.508 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.638 3.890 1.995 1.00 0.00 H new ATOM 1251 N ASP A 88 8.582 3.422 0.946 1.00 0.00 N ATOM 1252 CA ASP A 88 9.939 3.383 0.308 1.00 0.00 C ATOM 1253 C ASP A 88 10.649 1.992 0.421 1.00 0.00 C ATOM 1254 O ASP A 88 10.971 1.379 -0.601 1.00 0.00 O ATOM 1255 CB ASP A 88 10.824 4.552 0.825 1.00 0.00 C ATOM 1256 CG ASP A 88 10.425 5.938 0.317 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.191 6.191 -0.860 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.345 6.858 1.319 1.00 0.00 O ATOM 0 H ASP A 88 8.500 4.085 1.716 1.00 0.00 H new ATOM 0 HA ASP A 88 9.787 3.525 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.792 4.558 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.858 4.360 0.538 1.00 0.00 H new ATOM 1263 N ARG A 89 10.830 1.471 1.647 1.00 0.00 N ATOM 1264 CA ARG A 89 11.266 0.063 1.869 1.00 0.00 C ATOM 1265 C ARG A 89 10.289 -1.055 1.377 1.00 0.00 C ATOM 1266 O ARG A 89 10.768 -1.977 0.717 1.00 0.00 O ATOM 1267 CB ARG A 89 11.783 -0.145 3.315 1.00 0.00 C ATOM 1268 CG ARG A 89 10.881 0.330 4.483 1.00 0.00 C ATOM 1269 CD ARG A 89 11.430 1.565 5.231 1.00 0.00 C ATOM 1270 NE ARG A 89 10.967 1.501 6.650 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.540 2.511 7.398 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.306 3.705 6.935 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.372 2.297 8.669 1.00 0.00 N ATOM 0 H ARG A 89 10.683 1.998 2.508 1.00 0.00 H new ATOM 0 HA ARG A 89 12.108 -0.075 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.975 -1.209 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.742 0.365 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.890 0.564 4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.760 -0.489 5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.519 1.581 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.078 2.482 4.758 1.00 0.00 H new ATOM 0 HE ARG A 89 10.980 0.582 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.450 3.905 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.979 4.440 7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.567 1.376 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.045 3.050 9.274 1.00 0.00 H new ATOM 1287 N ALA A 90 8.963 -0.997 1.619 1.00 0.00 N ATOM 1288 CA ALA A 90 7.992 -1.953 1.008 1.00 0.00 C ATOM 1289 C ALA A 90 7.914 -2.012 -0.559 1.00 0.00 C ATOM 1290 O ALA A 90 7.844 -3.111 -1.115 1.00 0.00 O ATOM 1291 CB ALA A 90 6.631 -1.703 1.676 1.00 0.00 C ATOM 0 H ALA A 90 8.533 -0.303 2.230 1.00 0.00 H new ATOM 0 HA ALA A 90 8.366 -2.957 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.890 -2.383 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.715 -1.875 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.321 -0.674 1.496 1.00 0.00 H new ATOM 1297 N ASN A 91 8.003 -0.871 -1.271 1.00 0.00 N ATOM 1298 CA ASN A 91 8.219 -0.831 -2.751 1.00 0.00 C ATOM 1299 C ASN A 91 9.563 -1.490 -3.217 1.00 0.00 C ATOM 1300 O ASN A 91 9.553 -2.327 -4.123 1.00 0.00 O ATOM 1301 CB ASN A 91 8.127 0.636 -3.266 1.00 0.00 C ATOM 1302 CG ASN A 91 6.757 1.328 -3.241 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.694 0.731 -3.124 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.730 2.630 -3.388 1.00 0.00 N ATOM 0 H ASN A 91 7.929 0.054 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 91 7.424 -1.433 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.816 1.240 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.489 0.652 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.837 3.123 -3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.602 3.150 -3.487 1.00 0.00 H new ATOM 1311 N LEU A 92 10.706 -1.144 -2.592 1.00 0.00 N ATOM 1312 CA LEU A 92 12.002 -1.851 -2.803 1.00 0.00 C ATOM 1313 C LEU A 92 12.027 -3.382 -2.458 1.00 0.00 C ATOM 1314 O LEU A 92 12.526 -4.177 -3.259 1.00 0.00 O ATOM 1315 CB LEU A 92 13.081 -1.020 -2.061 1.00 0.00 C ATOM 1316 CG LEU A 92 14.545 -1.523 -2.143 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.032 -1.774 -3.577 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.480 -0.501 -1.490 1.00 0.00 C ATOM 0 H LEU A 92 10.766 -0.372 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 92 12.203 -1.895 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.051 -0.003 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.801 -0.966 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 92 14.564 -2.478 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.064 -2.124 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.403 -2.529 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.975 -0.847 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.508 -0.858 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.397 0.453 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.202 -0.369 -0.444 1.00 0.00 H new ATOM 1330 N ILE A 93 11.465 -3.803 -1.313 1.00 0.00 N ATOM 1331 CA ILE A 93 11.232 -5.243 -0.972 1.00 0.00 C ATOM 1332 C ILE A 93 10.340 -5.982 -2.040 1.00 0.00 C ATOM 1333 O ILE A 93 10.745 -7.044 -2.516 1.00 0.00 O ATOM 1334 CB ILE A 93 10.768 -5.325 0.532 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.907 -4.932 1.531 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.204 -6.705 0.947 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.449 -4.531 2.946 1.00 0.00 C ATOM 0 H ILE A 93 11.153 -3.161 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 93 12.155 -5.819 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 93 9.957 -4.599 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.595 -5.773 1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.470 -4.102 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.908 -6.677 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.337 -6.944 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.970 -7.468 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.319 -4.279 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.788 -3.667 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.915 -5.363 3.405 1.00 0.00 H new ATOM 1349 N ALA A 94 9.205 -5.401 -2.483 1.00 0.00 N ATOM 1350 CA ALA A 94 8.473 -5.868 -3.696 1.00 0.00 C ATOM 1351 C ALA A 94 9.277 -5.943 -5.043 1.00 0.00 C ATOM 1352 O ALA A 94 9.135 -6.929 -5.772 1.00 0.00 O ATOM 1353 CB ALA A 94 7.224 -4.977 -3.825 1.00 0.00 C ATOM 0 H ALA A 94 8.768 -4.603 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 94 8.235 -6.920 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.651 -5.279 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.607 -5.084 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.529 -3.936 -3.932 1.00 0.00 H new ATOM 1359 N TYR A 95 10.143 -4.953 -5.357 1.00 0.00 N ATOM 1360 CA TYR A 95 11.155 -5.048 -6.452 1.00 0.00 C ATOM 1361 C TYR A 95 12.114 -6.271 -6.299 1.00 0.00 C ATOM 1362 O TYR A 95 12.006 -7.186 -7.111 1.00 0.00 O ATOM 1363 CB TYR A 95 11.849 -3.656 -6.575 1.00 0.00 C ATOM 1364 CG TYR A 95 13.054 -3.534 -7.530 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.870 -3.273 -8.890 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.356 -3.675 -7.032 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.971 -3.150 -9.737 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.453 -3.567 -7.882 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.260 -3.292 -9.231 1.00 0.00 C ATOM 1370 OH TYR A 95 16.337 -3.156 -10.065 1.00 0.00 O ATOM 0 H TYR A 95 10.166 -4.061 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 95 10.672 -5.267 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.097 -2.934 -6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.179 -3.357 -5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.871 -3.166 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.510 -3.869 -5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.823 -2.944 -10.787 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.453 -3.697 -7.494 1.00 0.00 H new ATOM 0 HH TYR A 95 17.164 -3.283 -9.555 1.00 0.00 H new ATOM 1380 N LEU A 96 13.003 -6.324 -5.292 1.00 0.00 N ATOM 1381 CA LEU A 96 14.010 -7.430 -5.162 1.00 0.00 C ATOM 1382 C LEU A 96 13.551 -8.795 -4.524 1.00 0.00 C ATOM 1383 O LEU A 96 14.360 -9.721 -4.405 1.00 0.00 O ATOM 1384 CB LEU A 96 15.387 -6.866 -4.685 1.00 0.00 C ATOM 1385 CG LEU A 96 15.469 -5.856 -3.508 1.00 0.00 C ATOM 1386 CD1 LEU A 96 14.912 -6.422 -2.196 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.917 -5.380 -3.307 1.00 0.00 C ATOM 0 H LEU A 96 13.057 -5.625 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 96 14.142 -7.806 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.008 -7.721 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.854 -6.391 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 96 14.841 -5.008 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.996 -5.671 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.864 -6.690 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.479 -7.309 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 96 16.956 -4.673 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.554 -6.236 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 96 17.269 -4.893 -4.216 1.00 0.00 H new ATOM 1399 N GLU A 97 12.243 -8.997 -4.272 1.00 0.00 N ATOM 1400 CA GLU A 97 11.581 -10.331 -4.415 1.00 0.00 C ATOM 1401 C GLU A 97 11.509 -10.863 -5.893 1.00 0.00 C ATOM 1402 O GLU A 97 11.888 -12.010 -6.137 1.00 0.00 O ATOM 1403 CB GLU A 97 10.154 -10.268 -3.789 1.00 0.00 C ATOM 1404 CG GLU A 97 10.111 -10.261 -2.244 1.00 0.00 C ATOM 1405 CD GLU A 97 8.717 -10.082 -1.648 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.981 -11.230 -1.716 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.319 -9.031 -1.154 1.00 0.00 O ATOM 0 H GLU A 97 11.612 -8.256 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 97 12.206 -11.047 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.654 -9.371 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.579 -11.122 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.531 -11.198 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.753 -9.460 -1.879 1.00 0.00 H new