USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ -140:sc= -0.585 (180deg=-2.15!) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0906 (180deg=-0.519) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc=-0.00465 (180deg=-0.108) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.129 (180deg=-0.585) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.38 USER MOD Single : A 30 MET CE :methyl 162:sc= -0.178 (180deg=-0.83) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 91:sc= -0.368 USER MOD Single : A 34 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.79) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.179 F(o=-0.88,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 71:sc= 0.359 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0175 (180deg=-0.188) USER MOD Single : A 51 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -160:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -130:sc= -0.323 (180deg=-3.48!) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.12) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0231 F(o=-3.7!,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.962 -20.264 -12.996 1.00 0.00 N ATOM 2 CA PHE A 1 14.644 -19.430 -11.812 1.00 0.00 C ATOM 3 C PHE A 1 13.295 -19.813 -11.175 1.00 0.00 C ATOM 4 O PHE A 1 13.251 -20.116 -9.981 1.00 0.00 O ATOM 5 CB PHE A 1 14.657 -17.940 -12.192 1.00 0.00 C ATOM 6 CG PHE A 1 14.318 -17.013 -11.056 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.283 -16.640 -10.136 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.032 -16.514 -10.913 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.973 -15.786 -9.094 1.00 0.00 C ATOM 10 CE2 PHE A 1 12.717 -15.662 -9.875 1.00 0.00 C ATOM 11 CZ PHE A 1 13.688 -15.297 -8.963 1.00 0.00 C ATOM 0 H1 PHE A 1 15.975 -20.501 -12.992 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.402 -21.140 -12.965 1.00 0.00 H new ATOM 0 H3 PHE A 1 14.733 -19.737 -13.863 1.00 0.00 H new ATOM 0 HA PHE A 1 15.416 -19.616 -11.065 1.00 0.00 H new ATOM 0 HB2 PHE A 1 15.645 -17.682 -12.575 1.00 0.00 H new ATOM 0 HB3 PHE A 1 13.948 -17.777 -13.004 1.00 0.00 H new ATOM 0 HD1 PHE A 1 16.289 -17.020 -10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 1 12.268 -16.796 -11.623 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.735 -15.502 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 1 11.712 -15.280 -9.775 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.443 -14.631 -8.149 1.00 0.00 H new ATOM 23 N PRO A 2 12.173 -19.804 -11.934 1.00 0.00 N ATOM 24 CA PRO A 2 10.843 -20.062 -11.365 1.00 0.00 C ATOM 25 C PRO A 2 10.684 -21.485 -10.835 1.00 0.00 C ATOM 26 O PRO A 2 10.802 -22.461 -11.580 1.00 0.00 O ATOM 27 CB PRO A 2 9.881 -19.826 -12.537 1.00 0.00 C ATOM 28 CG PRO A 2 10.675 -19.087 -13.556 1.00 0.00 C ATOM 29 CD PRO A 2 12.089 -19.542 -13.380 1.00 0.00 C ATOM 0 HA PRO A 2 10.657 -19.418 -10.506 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.510 -20.770 -12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.012 -19.249 -12.222 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.317 -19.303 -14.563 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.590 -18.010 -13.412 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.301 -20.437 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.801 -18.779 -13.694 1.00 0.00 H new ATOM 37 N MET A 3 10.425 -21.589 -9.537 1.00 0.00 N ATOM 38 CA MET A 3 10.128 -22.869 -8.914 1.00 0.00 C ATOM 39 C MET A 3 8.617 -23.059 -8.826 1.00 0.00 C ATOM 40 O MET A 3 7.850 -22.184 -9.240 1.00 0.00 O ATOM 41 CB MET A 3 10.753 -22.952 -7.516 1.00 0.00 C ATOM 42 CG MET A 3 12.274 -22.880 -7.517 1.00 0.00 C ATOM 43 SD MET A 3 12.982 -22.973 -5.855 1.00 0.00 S ATOM 44 CE MET A 3 12.481 -24.620 -5.358 1.00 0.00 C ATOM 0 H MET A 3 10.415 -20.797 -8.894 1.00 0.00 H new ATOM 0 HA MET A 3 10.557 -23.663 -9.526 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.361 -22.140 -6.904 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.443 -23.885 -7.045 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.671 -23.695 -8.122 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.589 -21.949 -7.989 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.091 -24.948 -4.516 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.432 -24.608 -5.062 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.615 -25.308 -6.193 1.00 0.00 H new ATOM 54 N PHE A 4 8.188 -24.193 -8.291 1.00 0.00 N ATOM 55 CA PHE A 4 6.761 -24.482 -8.177 1.00 0.00 C ATOM 56 C PHE A 4 6.317 -24.525 -6.720 1.00 0.00 C ATOM 57 O PHE A 4 5.193 -24.921 -6.414 1.00 0.00 O ATOM 58 CB PHE A 4 6.424 -25.801 -8.876 1.00 0.00 C ATOM 59 CG PHE A 4 6.589 -25.739 -10.368 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.549 -25.300 -11.173 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.784 -26.107 -10.964 1.00 0.00 C ATOM 62 CE1 PHE A 4 5.698 -25.233 -12.543 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.939 -26.042 -12.334 1.00 0.00 C ATOM 64 CZ PHE A 4 6.894 -25.603 -13.124 1.00 0.00 C ATOM 0 H PHE A 4 8.800 -24.925 -7.931 1.00 0.00 H new ATOM 0 HA PHE A 4 6.218 -23.675 -8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.064 -26.589 -8.479 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.396 -26.077 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.612 -25.007 -10.723 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.604 -26.449 -10.350 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.880 -24.892 -13.160 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.875 -26.334 -12.787 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.013 -25.549 -14.196 1.00 0.00 H new ATOM 74 N LYS A 5 7.204 -24.109 -5.829 1.00 0.00 N ATOM 75 CA LYS A 5 6.905 -24.059 -4.405 1.00 0.00 C ATOM 76 C LYS A 5 7.476 -22.786 -3.798 1.00 0.00 C ATOM 77 O LYS A 5 8.265 -22.095 -4.444 1.00 0.00 O ATOM 78 CB LYS A 5 7.473 -25.286 -3.678 1.00 0.00 C ATOM 79 CG LYS A 5 6.729 -26.579 -3.980 1.00 0.00 C ATOM 80 CD LYS A 5 7.254 -27.746 -3.155 1.00 0.00 C ATOM 81 CE LYS A 5 8.669 -28.141 -3.557 1.00 0.00 C ATOM 82 NZ LYS A 5 9.134 -29.346 -2.821 1.00 0.00 N ATOM 0 H LYS A 5 8.145 -23.798 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 5 5.822 -24.062 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.520 -25.408 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.446 -25.105 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.667 -26.441 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.824 -26.813 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.239 -27.478 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.591 -28.602 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.702 -28.334 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.348 -27.311 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.101 -29.584 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.126 -29.153 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.501 -30.145 -3.027 1.00 0.00 H new ATOM 96 N ARG A 6 7.061 -22.493 -2.565 1.00 0.00 N ATOM 97 CA ARG A 6 7.524 -21.326 -1.819 1.00 0.00 C ATOM 98 C ARG A 6 6.918 -20.035 -2.363 1.00 0.00 C ATOM 99 O ARG A 6 6.152 -20.042 -3.331 1.00 0.00 O ATOM 100 CB ARG A 6 9.056 -21.235 -1.809 1.00 0.00 C ATOM 101 CG ARG A 6 9.730 -22.398 -1.104 1.00 0.00 C ATOM 102 CD ARG A 6 11.239 -22.253 -1.118 1.00 0.00 C ATOM 103 NE ARG A 6 11.901 -23.391 -0.484 1.00 0.00 N ATOM 104 CZ ARG A 6 13.174 -23.720 -0.695 1.00 0.00 C ATOM 105 NH1 ARG A 6 13.923 -22.996 -1.518 1.00 0.00 N ATOM 106 NH2 ARG A 6 13.697 -24.782 -0.091 1.00 0.00 N ATOM 0 H ARG A 6 6.389 -23.065 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 6 7.185 -21.453 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.415 -21.187 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.353 -20.305 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.378 -22.455 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.448 -23.332 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.585 -22.159 -2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.520 -21.335 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 6 11.356 -23.967 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.524 -22.185 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.898 -23.251 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.123 -25.347 0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.672 -25.033 -0.254 1.00 0.00 H new ATOM 120 N GLY A 7 7.246 -18.934 -1.707 1.00 0.00 N ATOM 121 CA GLY A 7 6.749 -17.637 -2.108 1.00 0.00 C ATOM 122 C GLY A 7 6.861 -16.637 -0.981 1.00 0.00 C ATOM 123 O GLY A 7 5.982 -16.553 -0.123 1.00 0.00 O ATOM 0 H GLY A 7 7.858 -18.918 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.311 -17.280 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.708 -17.724 -2.419 1.00 0.00 H new ATOM 127 N ARG A 8 7.953 -15.888 -0.971 1.00 0.00 N ATOM 128 CA ARG A 8 8.207 -14.935 0.099 1.00 0.00 C ATOM 129 C ARG A 8 7.356 -13.686 -0.086 1.00 0.00 C ATOM 130 O ARG A 8 7.709 -12.789 -0.855 1.00 0.00 O ATOM 131 CB ARG A 8 9.688 -14.556 0.151 1.00 0.00 C ATOM 132 CG ARG A 8 10.621 -15.750 0.276 1.00 0.00 C ATOM 133 CD ARG A 8 12.066 -15.310 0.456 1.00 0.00 C ATOM 134 NE ARG A 8 12.284 -14.687 1.761 1.00 0.00 N ATOM 135 CZ ARG A 8 12.696 -13.429 1.934 1.00 0.00 C ATOM 136 NH1 ARG A 8 12.926 -12.644 0.888 1.00 0.00 N ATOM 137 NH2 ARG A 8 12.870 -12.953 3.158 1.00 0.00 N ATOM 0 H ARG A 8 8.676 -15.921 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 8 7.938 -15.409 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.943 -14.000 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.853 -13.887 0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.318 -16.363 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.537 -16.374 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.725 -16.172 0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.333 -14.606 -0.332 1.00 0.00 H new ATOM 0 HE ARG A 8 12.110 -15.250 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.788 -13.001 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.241 -11.684 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.689 -13.548 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.185 -11.992 3.292 1.00 0.00 H new ATOM 151 N CYS A 9 6.219 -13.656 0.594 1.00 0.00 N ATOM 152 CA CYS A 9 5.321 -12.514 0.547 1.00 0.00 C ATOM 153 C CYS A 9 5.978 -11.303 1.194 1.00 0.00 C ATOM 154 O CYS A 9 6.194 -11.277 2.411 1.00 0.00 O ATOM 155 CB CYS A 9 4.008 -12.854 1.253 1.00 0.00 C ATOM 156 SG CYS A 9 3.254 -14.404 0.666 1.00 0.00 S ATOM 0 H CYS A 9 5.895 -14.418 1.190 1.00 0.00 H new ATOM 0 HA CYS A 9 5.105 -12.273 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.189 -12.930 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.302 -12.036 1.106 1.00 0.00 H new ATOM 161 N LEU A 10 6.337 -10.326 0.371 1.00 0.00 N ATOM 162 CA LEU A 10 6.979 -9.118 0.858 1.00 0.00 C ATOM 163 C LEU A 10 7.041 -8.059 -0.231 1.00 0.00 C ATOM 164 O LEU A 10 6.928 -8.353 -1.421 1.00 0.00 O ATOM 165 CB LEU A 10 8.406 -9.409 1.344 1.00 0.00 C ATOM 166 CG LEU A 10 9.021 -8.334 2.248 1.00 0.00 C ATOM 167 CD1 LEU A 10 8.163 -8.113 3.484 1.00 0.00 C ATOM 168 CD2 LEU A 10 10.436 -8.724 2.644 1.00 0.00 C ATOM 0 H LEU A 10 6.193 -10.349 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 10 6.380 -8.750 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.403 -10.356 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.049 -9.540 0.474 1.00 0.00 H new ATOM 0 HG LEU A 10 9.061 -7.398 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.618 -7.346 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.167 -7.790 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.088 -9.044 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.860 -7.952 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.415 -9.672 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.049 -8.829 1.749 1.00 0.00 H new ATOM 180 N CYS A 11 7.250 -6.841 0.210 1.00 0.00 N ATOM 181 CA CYS A 11 7.476 -5.707 -0.641 1.00 0.00 C ATOM 182 C CYS A 11 8.428 -4.810 0.121 1.00 0.00 C ATOM 183 O CYS A 11 9.074 -5.274 1.063 1.00 0.00 O ATOM 184 CB CYS A 11 6.166 -4.983 -0.966 1.00 0.00 C ATOM 185 SG CYS A 11 5.226 -5.690 -2.365 1.00 0.00 S ATOM 0 H CYS A 11 7.267 -6.609 1.203 1.00 0.00 H new ATOM 0 HA CYS A 11 7.893 -6.007 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.532 -4.992 -0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.389 -3.939 -1.187 1.00 0.00 H new ATOM 190 N ILE A 12 8.528 -3.555 -0.235 1.00 0.00 N ATOM 191 CA ILE A 12 9.478 -2.702 0.439 1.00 0.00 C ATOM 192 C ILE A 12 8.870 -1.325 0.715 1.00 0.00 C ATOM 193 O ILE A 12 9.547 -0.384 1.129 1.00 0.00 O ATOM 194 CB ILE A 12 10.781 -2.658 -0.389 1.00 0.00 C ATOM 195 CG1 ILE A 12 11.866 -1.795 0.261 1.00 0.00 C ATOM 196 CG2 ILE A 12 10.500 -2.216 -1.811 1.00 0.00 C ATOM 197 CD1 ILE A 12 12.358 -2.336 1.586 1.00 0.00 C ATOM 0 H ILE A 12 7.979 -3.107 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 12 9.730 -3.104 1.420 1.00 0.00 H new ATOM 0 HB ILE A 12 11.175 -3.674 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.710 -1.711 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.476 -0.788 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.432 -2.192 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.809 -2.917 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.056 -1.221 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.125 -1.673 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.525 -2.394 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.779 -3.331 1.439 1.00 0.00 H new ATOM 209 N GLY A 13 7.552 -1.263 0.553 1.00 0.00 N ATOM 210 CA GLY A 13 6.795 -0.067 0.865 1.00 0.00 C ATOM 211 C GLY A 13 7.220 1.141 0.070 1.00 0.00 C ATOM 212 O GLY A 13 7.940 2.013 0.555 1.00 0.00 O ATOM 0 H GLY A 13 6.987 -2.037 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.738 -0.258 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.900 0.152 1.928 1.00 0.00 H new ATOM 216 N PRO A 14 6.739 1.212 -1.155 1.00 0.00 N ATOM 217 CA PRO A 14 6.963 2.321 -2.064 1.00 0.00 C ATOM 218 C PRO A 14 5.887 3.385 -1.895 1.00 0.00 C ATOM 219 O PRO A 14 5.569 4.127 -2.825 1.00 0.00 O ATOM 220 CB PRO A 14 6.848 1.636 -3.423 1.00 0.00 C ATOM 221 CG PRO A 14 5.836 0.558 -3.209 1.00 0.00 C ATOM 222 CD PRO A 14 5.908 0.174 -1.751 1.00 0.00 C ATOM 0 HA PRO A 14 7.909 2.840 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.527 2.335 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.805 1.225 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.837 0.909 -3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.046 -0.301 -3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.918 0.145 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.348 -0.814 -1.620 1.00 0.00 H new ATOM 230 N GLY A 15 5.336 3.442 -0.691 1.00 0.00 N ATOM 231 CA GLY A 15 4.247 4.350 -0.402 1.00 0.00 C ATOM 232 C GLY A 15 4.685 5.795 -0.444 1.00 0.00 C ATOM 233 O GLY A 15 5.787 6.127 -0.008 1.00 0.00 O ATOM 0 H GLY A 15 5.629 2.867 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.445 4.194 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.839 4.124 0.583 1.00 0.00 H new ATOM 237 N VAL A 16 3.832 6.653 -0.976 1.00 0.00 N ATOM 238 CA VAL A 16 4.169 8.063 -1.114 1.00 0.00 C ATOM 239 C VAL A 16 3.732 8.845 0.120 1.00 0.00 C ATOM 240 O VAL A 16 4.537 9.079 1.022 1.00 0.00 O ATOM 241 CB VAL A 16 3.537 8.676 -2.380 1.00 0.00 C ATOM 242 CG1 VAL A 16 4.019 10.102 -2.586 1.00 0.00 C ATOM 243 CG2 VAL A 16 3.862 7.816 -3.593 1.00 0.00 C ATOM 0 H VAL A 16 2.905 6.402 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 16 5.253 8.131 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 16 2.455 8.704 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.561 10.515 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.739 10.709 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.103 10.107 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.412 8.256 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.943 7.763 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.464 6.812 -3.444 1.00 0.00 H new ATOM 253 N LYS A 17 2.456 9.222 0.174 1.00 0.00 N ATOM 254 CA LYS A 17 1.923 9.959 1.314 1.00 0.00 C ATOM 255 C LYS A 17 0.404 10.082 1.216 1.00 0.00 C ATOM 256 O LYS A 17 -0.328 9.511 2.025 1.00 0.00 O ATOM 257 CB LYS A 17 2.549 11.357 1.396 1.00 0.00 C ATOM 258 CG LYS A 17 2.356 12.026 2.745 1.00 0.00 C ATOM 259 CD LYS A 17 3.091 11.271 3.838 1.00 0.00 C ATOM 260 CE LYS A 17 2.854 11.887 5.208 1.00 0.00 C ATOM 261 NZ LYS A 17 1.443 11.731 5.654 1.00 0.00 N ATOM 0 H LYS A 17 1.774 9.029 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 17 2.175 9.404 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.616 11.282 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.114 11.988 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.719 13.053 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.293 12.073 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.763 10.232 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.159 11.267 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.518 11.419 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.110 12.946 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.362 12.009 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.827 12.336 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.153 10.738 5.547 1.00 0.00 H new ATOM 275 N ALA A 18 -0.058 10.833 0.222 1.00 0.00 N ATOM 276 CA ALA A 18 -1.483 11.045 0.009 1.00 0.00 C ATOM 277 C ALA A 18 -1.733 11.522 -1.416 1.00 0.00 C ATOM 278 O ALA A 18 -1.063 12.437 -1.899 1.00 0.00 O ATOM 279 CB ALA A 18 -2.033 12.053 1.011 1.00 0.00 C ATOM 0 H ALA A 18 0.541 11.308 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.001 10.098 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.099 12.197 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.880 11.680 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.514 13.004 0.892 1.00 0.00 H new ATOM 285 N VAL A 19 -2.687 10.898 -2.086 1.00 0.00 N ATOM 286 CA VAL A 19 -2.997 11.226 -3.473 1.00 0.00 C ATOM 287 C VAL A 19 -4.507 11.362 -3.664 1.00 0.00 C ATOM 288 O VAL A 19 -5.229 11.637 -2.702 1.00 0.00 O ATOM 289 CB VAL A 19 -2.439 10.148 -4.424 1.00 0.00 C ATOM 290 CG1 VAL A 19 -0.918 10.194 -4.473 1.00 0.00 C ATOM 291 CG2 VAL A 19 -2.907 8.773 -3.992 1.00 0.00 C ATOM 0 H VAL A 19 -3.265 10.156 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.525 12.179 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.817 10.353 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.552 9.423 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.595 11.173 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.516 10.019 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.506 8.022 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.556 8.571 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.996 8.736 -4.013 1.00 0.00 H new ATOM 301 N LYS A 20 -4.978 11.199 -4.899 1.00 0.00 N ATOM 302 CA LYS A 20 -6.407 11.244 -5.187 1.00 0.00 C ATOM 303 C LYS A 20 -7.090 10.031 -4.580 1.00 0.00 C ATOM 304 O LYS A 20 -7.145 8.974 -5.205 1.00 0.00 O ATOM 305 CB LYS A 20 -6.653 11.254 -6.695 1.00 0.00 C ATOM 306 CG LYS A 20 -8.120 11.392 -7.076 1.00 0.00 C ATOM 307 CD LYS A 20 -8.579 12.841 -7.059 1.00 0.00 C ATOM 308 CE LYS A 20 -7.929 13.637 -8.182 1.00 0.00 C ATOM 309 NZ LYS A 20 -8.150 13.009 -9.516 1.00 0.00 N ATOM 0 H LYS A 20 -4.389 11.035 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.816 12.157 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.093 12.076 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.261 10.332 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.277 10.974 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.730 10.810 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.663 12.883 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.331 13.293 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.332 14.650 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.859 13.720 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.970 13.709 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.502 12.204 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.133 12.675 -9.584 1.00 0.00 H new ATOM 323 N VAL A 21 -7.609 10.198 -3.372 1.00 0.00 N ATOM 324 CA VAL A 21 -8.169 9.095 -2.605 1.00 0.00 C ATOM 325 C VAL A 21 -9.482 8.577 -3.189 1.00 0.00 C ATOM 326 O VAL A 21 -10.564 8.833 -2.649 1.00 0.00 O ATOM 327 CB VAL A 21 -8.357 9.473 -1.119 1.00 0.00 C ATOM 328 CG1 VAL A 21 -7.026 9.413 -0.393 1.00 0.00 C ATOM 329 CG2 VAL A 21 -8.962 10.863 -0.968 1.00 0.00 C ATOM 0 H VAL A 21 -7.654 11.100 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.441 8.286 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.047 8.753 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.170 9.681 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.622 8.403 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.328 10.112 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.080 11.095 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.303 11.599 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.936 10.891 -1.456 1.00 0.00 H new ATOM 339 N ALA A 22 -9.352 7.898 -4.328 1.00 0.00 N ATOM 340 CA ALA A 22 -10.442 7.162 -4.973 1.00 0.00 C ATOM 341 C ALA A 22 -10.007 6.677 -6.347 1.00 0.00 C ATOM 342 O ALA A 22 -10.503 5.668 -6.854 1.00 0.00 O ATOM 343 CB ALA A 22 -11.703 8.004 -5.109 1.00 0.00 C ATOM 0 H ALA A 22 -8.471 7.842 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.675 6.310 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.483 7.416 -5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.042 8.313 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.488 8.887 -5.711 1.00 0.00 H new ATOM 349 N ASP A 23 -9.086 7.413 -6.949 1.00 0.00 N ATOM 350 CA ASP A 23 -8.546 7.058 -8.253 1.00 0.00 C ATOM 351 C ASP A 23 -7.403 6.086 -8.062 1.00 0.00 C ATOM 352 O ASP A 23 -7.405 4.960 -8.560 1.00 0.00 O ATOM 353 CB ASP A 23 -8.022 8.309 -8.961 1.00 0.00 C ATOM 354 CG ASP A 23 -8.501 8.414 -10.392 1.00 0.00 C ATOM 355 OD1 ASP A 23 -7.987 7.670 -11.253 1.00 0.00 O ATOM 356 OD2 ASP A 23 -9.378 9.261 -10.670 1.00 0.00 O ATOM 0 H ASP A 23 -8.694 8.267 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.332 6.605 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.341 9.194 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.932 8.300 -8.947 1.00 0.00 H new ATOM 361 N ILE A 24 -6.436 6.556 -7.312 1.00 0.00 N ATOM 362 CA ILE A 24 -5.284 5.801 -6.912 1.00 0.00 C ATOM 363 C ILE A 24 -5.205 5.885 -5.418 1.00 0.00 C ATOM 364 O ILE A 24 -5.952 6.643 -4.812 1.00 0.00 O ATOM 365 CB ILE A 24 -3.996 6.325 -7.598 1.00 0.00 C ATOM 366 CG1 ILE A 24 -4.170 7.760 -8.115 1.00 0.00 C ATOM 367 CG2 ILE A 24 -3.614 5.413 -8.753 1.00 0.00 C ATOM 368 CD1 ILE A 24 -4.252 8.808 -7.035 1.00 0.00 C ATOM 0 H ILE A 24 -6.434 7.511 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.375 4.760 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.203 6.328 -6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.335 7.999 -8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.076 7.808 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.708 5.789 -9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.435 4.405 -8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.424 5.390 -9.482 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.374 9.791 -7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.105 8.599 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.336 8.793 -6.444 1.00 0.00 H new ATOM 380 N GLU A 25 -4.339 5.091 -4.838 1.00 0.00 N ATOM 381 CA GLU A 25 -4.379 4.833 -3.427 1.00 0.00 C ATOM 382 C GLU A 25 -5.662 4.085 -3.147 1.00 0.00 C ATOM 383 O GLU A 25 -6.630 4.606 -2.596 1.00 0.00 O ATOM 384 CB GLU A 25 -4.282 6.135 -2.648 1.00 0.00 C ATOM 385 CG GLU A 25 -3.984 5.952 -1.167 1.00 0.00 C ATOM 386 CD GLU A 25 -3.425 7.205 -0.519 1.00 0.00 C ATOM 387 OE1 GLU A 25 -3.999 8.300 -0.706 1.00 0.00 O ATOM 388 OE2 GLU A 25 -2.421 7.096 0.212 1.00 0.00 O ATOM 0 H GLU A 25 -3.589 4.608 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.531 4.227 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.502 6.754 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.220 6.680 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.898 5.659 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.272 5.136 -1.043 1.00 0.00 H new ATOM 395 N LYS A 26 -5.627 2.839 -3.566 1.00 0.00 N ATOM 396 CA LYS A 26 -6.742 1.933 -3.437 1.00 0.00 C ATOM 397 C LYS A 26 -6.250 0.623 -2.872 1.00 0.00 C ATOM 398 O LYS A 26 -5.960 -0.312 -3.611 1.00 0.00 O ATOM 399 CB LYS A 26 -7.405 1.687 -4.791 1.00 0.00 C ATOM 400 CG LYS A 26 -8.202 2.862 -5.332 1.00 0.00 C ATOM 401 CD LYS A 26 -8.844 2.499 -6.661 1.00 0.00 C ATOM 402 CE LYS A 26 -9.777 1.308 -6.510 1.00 0.00 C ATOM 403 NZ LYS A 26 -10.064 0.646 -7.809 1.00 0.00 N ATOM 0 H LYS A 26 -4.810 2.423 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.480 2.378 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.634 1.425 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.067 0.826 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.972 3.149 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.548 3.725 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.400 3.354 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.069 2.268 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.331 0.585 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.713 1.638 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.704 -0.159 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.514 1.327 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.175 0.307 -8.229 1.00 0.00 H new ATOM 417 N ALA A 27 -6.119 0.582 -1.567 1.00 0.00 N ATOM 418 CA ALA A 27 -5.655 -0.602 -0.887 1.00 0.00 C ATOM 419 C ALA A 27 -6.821 -1.524 -0.602 1.00 0.00 C ATOM 420 O ALA A 27 -7.348 -1.560 0.509 1.00 0.00 O ATOM 421 CB ALA A 27 -4.970 -0.207 0.403 1.00 0.00 C ATOM 0 H ALA A 27 -6.330 1.366 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.942 -1.129 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.619 -1.102 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.122 0.440 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.675 0.325 1.041 1.00 0.00 H new ATOM 427 N SER A 28 -7.236 -2.255 -1.620 1.00 0.00 N ATOM 428 CA SER A 28 -8.372 -3.135 -1.478 1.00 0.00 C ATOM 429 C SER A 28 -7.935 -4.583 -1.401 1.00 0.00 C ATOM 430 O SER A 28 -8.123 -5.360 -2.341 1.00 0.00 O ATOM 431 CB SER A 28 -9.286 -2.961 -2.677 1.00 0.00 C ATOM 432 OG SER A 28 -9.731 -1.619 -2.798 1.00 0.00 O ATOM 0 H SER A 28 -6.806 -2.255 -2.545 1.00 0.00 H new ATOM 0 HA SER A 28 -8.893 -2.879 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.758 -3.254 -3.584 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.146 -3.624 -2.580 1.00 0.00 H new ATOM 0 HG SER A 28 -10.316 -1.538 -3.580 1.00 0.00 H new ATOM 438 N ILE A 29 -7.310 -4.925 -0.296 1.00 0.00 N ATOM 439 CA ILE A 29 -7.088 -6.301 0.068 1.00 0.00 C ATOM 440 C ILE A 29 -6.779 -6.371 1.552 1.00 0.00 C ATOM 441 O ILE A 29 -6.170 -5.453 2.098 1.00 0.00 O ATOM 442 CB ILE A 29 -5.964 -6.955 -0.769 1.00 0.00 C ATOM 443 CG1 ILE A 29 -5.839 -8.449 -0.443 1.00 0.00 C ATOM 444 CG2 ILE A 29 -4.647 -6.248 -0.537 1.00 0.00 C ATOM 445 CD1 ILE A 29 -4.785 -9.168 -1.260 1.00 0.00 C ATOM 0 H ILE A 29 -6.941 -4.252 0.376 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.994 -6.868 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.226 -6.858 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.604 -8.562 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.803 -8.929 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.869 -6.723 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.740 -5.202 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.382 -6.309 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.756 -10.219 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.029 -9.088 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.811 -8.715 -1.077 1.00 0.00 H new ATOM 457 N MET A 30 -7.212 -7.421 2.209 1.00 0.00 N ATOM 458 CA MET A 30 -6.739 -7.697 3.549 1.00 0.00 C ATOM 459 C MET A 30 -6.758 -9.193 3.794 1.00 0.00 C ATOM 460 O MET A 30 -7.690 -9.742 4.382 1.00 0.00 O ATOM 461 CB MET A 30 -7.545 -6.938 4.605 1.00 0.00 C ATOM 462 CG MET A 30 -7.063 -7.184 6.028 1.00 0.00 C ATOM 463 SD MET A 30 -7.990 -6.253 7.261 1.00 0.00 S ATOM 464 CE MET A 30 -9.654 -6.841 6.952 1.00 0.00 C ATOM 0 H MET A 30 -7.885 -8.094 1.843 1.00 0.00 H new ATOM 0 HA MET A 30 -5.712 -7.341 3.637 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.494 -5.870 4.392 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.593 -7.228 4.529 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.140 -8.248 6.252 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.008 -6.918 6.099 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.284 -6.618 7.813 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.057 -6.345 6.069 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.634 -7.918 6.786 1.00 0.00 H new ATOM 474 N TYR A 31 -5.735 -9.844 3.262 1.00 0.00 N ATOM 475 CA TYR A 31 -5.533 -11.272 3.429 1.00 0.00 C ATOM 476 C TYR A 31 -4.041 -11.532 3.512 1.00 0.00 C ATOM 477 O TYR A 31 -3.251 -10.711 3.048 1.00 0.00 O ATOM 478 CB TYR A 31 -6.112 -12.076 2.250 1.00 0.00 C ATOM 479 CG TYR A 31 -7.577 -11.828 1.956 1.00 0.00 C ATOM 480 CD1 TYR A 31 -8.568 -12.573 2.584 1.00 0.00 C ATOM 481 CD2 TYR A 31 -7.970 -10.859 1.038 1.00 0.00 C ATOM 482 CE1 TYR A 31 -9.905 -12.358 2.307 1.00 0.00 C ATOM 483 CE2 TYR A 31 -9.305 -10.640 0.756 1.00 0.00 C ATOM 484 CZ TYR A 31 -10.269 -11.391 1.394 1.00 0.00 C ATOM 485 OH TYR A 31 -11.599 -11.178 1.112 1.00 0.00 O ATOM 0 H TYR A 31 -5.016 -9.391 2.698 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.047 -11.590 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -5.534 -11.844 1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.974 -13.138 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.289 -13.332 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.218 -10.267 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.662 -12.946 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.592 -9.884 0.040 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.682 -10.461 0.449 1.00 0.00 H new ATOM 495 N PRO A 32 -3.645 -12.655 4.120 1.00 0.00 N ATOM 496 CA PRO A 32 -2.249 -13.122 4.179 1.00 0.00 C ATOM 497 C PRO A 32 -1.635 -13.417 2.807 1.00 0.00 C ATOM 498 O PRO A 32 -1.093 -14.501 2.587 1.00 0.00 O ATOM 499 CB PRO A 32 -2.351 -14.415 4.993 1.00 0.00 C ATOM 500 CG PRO A 32 -3.765 -14.828 4.850 1.00 0.00 C ATOM 501 CD PRO A 32 -4.528 -13.545 4.870 1.00 0.00 C ATOM 0 HA PRO A 32 -1.599 -12.359 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.673 -15.179 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.089 -14.249 6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.928 -15.373 3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.071 -15.486 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.505 -13.644 4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.700 -13.188 5.886 1.00 0.00 H new ATOM 509 N SER A 33 -1.731 -12.447 1.894 1.00 0.00 N ATOM 510 CA SER A 33 -1.165 -12.541 0.544 1.00 0.00 C ATOM 511 C SER A 33 -1.860 -13.624 -0.285 1.00 0.00 C ATOM 512 O SER A 33 -1.671 -13.703 -1.499 1.00 0.00 O ATOM 513 CB SER A 33 0.335 -12.832 0.615 1.00 0.00 C ATOM 514 OG SER A 33 0.960 -12.039 1.609 1.00 0.00 O ATOM 0 H SER A 33 -2.209 -11.564 2.073 1.00 0.00 H new ATOM 0 HA SER A 33 -1.327 -11.581 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.494 -13.888 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.794 -12.635 -0.354 1.00 0.00 H new ATOM 0 HG SER A 33 0.959 -12.522 2.461 1.00 0.00 H new ATOM 520 N ASN A 34 -2.660 -14.447 0.394 1.00 0.00 N ATOM 521 CA ASN A 34 -3.305 -15.612 -0.201 1.00 0.00 C ATOM 522 C ASN A 34 -2.251 -16.668 -0.559 1.00 0.00 C ATOM 523 O ASN A 34 -2.521 -17.645 -1.251 1.00 0.00 O ATOM 524 CB ASN A 34 -4.154 -15.195 -1.420 1.00 0.00 C ATOM 525 CG ASN A 34 -4.871 -16.351 -2.097 1.00 0.00 C ATOM 526 OD1 ASN A 34 -4.388 -16.901 -3.092 1.00 0.00 O ATOM 527 ND2 ASN A 34 -6.030 -16.726 -1.574 1.00 0.00 N ATOM 0 H ASN A 34 -2.879 -14.320 1.382 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.986 -16.060 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.892 -14.459 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.509 -14.704 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.555 -17.493 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.397 -16.247 -0.751 1.00 0.00 H new ATOM 534 N ASN A 35 -1.050 -16.487 -0.032 1.00 0.00 N ATOM 535 CA ASN A 35 0.043 -17.410 -0.294 1.00 0.00 C ATOM 536 C ASN A 35 0.843 -17.565 0.982 1.00 0.00 C ATOM 537 O ASN A 35 1.880 -18.224 1.025 1.00 0.00 O ATOM 538 CB ASN A 35 0.921 -16.868 -1.438 1.00 0.00 C ATOM 539 CG ASN A 35 2.049 -17.803 -1.855 1.00 0.00 C ATOM 540 OD1 ASN A 35 3.237 -17.584 -1.310 1.00 0.00 O flip ATOM 541 ND2 ASN A 35 1.862 -18.695 -2.686 1.00 0.00 N flip ATOM 0 H ASN A 35 -0.807 -15.708 0.580 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.339 -18.383 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.289 -16.670 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.349 -15.914 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.933 -18.834 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.636 -19.293 -2.975 1.00 0.00 H new ATOM 548 N CYS A 36 0.312 -16.992 2.048 1.00 0.00 N ATOM 549 CA CYS A 36 1.085 -16.790 3.257 1.00 0.00 C ATOM 550 C CYS A 36 0.218 -16.789 4.499 1.00 0.00 C ATOM 551 O CYS A 36 -0.970 -17.107 4.446 1.00 0.00 O ATOM 552 CB CYS A 36 1.845 -15.474 3.135 1.00 0.00 C ATOM 553 SG CYS A 36 3.435 -15.640 2.259 1.00 0.00 S ATOM 0 H CYS A 36 -0.651 -16.659 2.099 1.00 0.00 H new ATOM 0 HA CYS A 36 1.782 -17.621 3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.222 -14.750 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.027 -15.074 4.132 1.00 0.00 H new ATOM 558 N ASP A 37 0.839 -16.455 5.618 1.00 0.00 N ATOM 559 CA ASP A 37 0.143 -16.336 6.893 1.00 0.00 C ATOM 560 C ASP A 37 0.221 -14.895 7.363 1.00 0.00 C ATOM 561 O ASP A 37 -0.253 -14.541 8.439 1.00 0.00 O ATOM 562 CB ASP A 37 0.778 -17.254 7.935 1.00 0.00 C ATOM 563 CG ASP A 37 2.169 -16.800 8.334 1.00 0.00 C ATOM 564 OD1 ASP A 37 3.093 -16.883 7.489 1.00 0.00 O ATOM 565 OD2 ASP A 37 2.348 -16.368 9.487 1.00 0.00 O ATOM 0 H ASP A 37 1.839 -16.258 5.671 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.899 -16.630 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.142 -17.289 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.829 -18.268 7.539 1.00 0.00 H new ATOM 570 N LYS A 38 0.812 -14.071 6.514 1.00 0.00 N ATOM 571 CA LYS A 38 1.035 -12.675 6.811 1.00 0.00 C ATOM 572 C LYS A 38 0.242 -11.847 5.822 1.00 0.00 C ATOM 573 O LYS A 38 0.243 -12.134 4.632 1.00 0.00 O ATOM 574 CB LYS A 38 2.521 -12.357 6.704 1.00 0.00 C ATOM 575 CG LYS A 38 3.041 -12.474 5.288 1.00 0.00 C ATOM 576 CD LYS A 38 4.554 -12.353 5.209 1.00 0.00 C ATOM 577 CE LYS A 38 5.244 -13.427 6.037 1.00 0.00 C ATOM 578 NZ LYS A 38 6.679 -13.569 5.680 1.00 0.00 N ATOM 0 H LYS A 38 1.151 -14.358 5.596 1.00 0.00 H new ATOM 0 HA LYS A 38 0.710 -12.445 7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.700 -11.346 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.081 -13.034 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.735 -13.433 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.586 -11.698 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.873 -12.433 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.860 -11.368 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.156 -13.181 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.737 -14.381 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.111 -14.311 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.763 -13.829 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.169 -12.667 5.846 1.00 0.00 H new ATOM 592 N ILE A 39 -0.398 -10.817 6.305 1.00 0.00 N ATOM 593 CA ILE A 39 -1.417 -10.123 5.524 1.00 0.00 C ATOM 594 C ILE A 39 -0.798 -9.000 4.691 1.00 0.00 C ATOM 595 O ILE A 39 0.174 -8.377 5.107 1.00 0.00 O ATOM 596 CB ILE A 39 -2.549 -9.559 6.417 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.032 -8.444 7.329 1.00 0.00 C ATOM 598 CG2 ILE A 39 -3.169 -10.678 7.243 1.00 0.00 C ATOM 599 CD1 ILE A 39 -3.118 -7.773 8.144 1.00 0.00 C ATOM 0 H ILE A 39 -0.240 -10.430 7.236 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.857 -10.860 4.853 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.313 -9.131 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.285 -8.858 8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.530 -7.692 6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.964 -10.271 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.582 -11.436 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.405 -11.129 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.677 -6.994 8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.854 -7.329 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.605 -8.512 8.780 1.00 0.00 H new ATOM 611 N GLU A 40 -1.362 -8.761 3.515 1.00 0.00 N ATOM 612 CA GLU A 40 -0.848 -7.751 2.599 1.00 0.00 C ATOM 613 C GLU A 40 -1.925 -6.745 2.218 1.00 0.00 C ATOM 614 O GLU A 40 -3.123 -7.015 2.347 1.00 0.00 O ATOM 615 CB GLU A 40 -0.307 -8.408 1.325 1.00 0.00 C ATOM 616 CG GLU A 40 1.089 -8.988 1.463 1.00 0.00 C ATOM 617 CD GLU A 40 2.153 -7.920 1.662 1.00 0.00 C ATOM 618 OE1 GLU A 40 1.946 -6.781 1.186 1.00 0.00 O ATOM 619 OE2 GLU A 40 3.205 -8.229 2.264 1.00 0.00 O ATOM 0 H GLU A 40 -2.183 -9.258 3.170 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.044 -7.226 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.989 -9.203 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.303 -7.669 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.110 -9.677 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.326 -9.569 0.572 1.00 0.00 H new ATOM 626 N VAL A 41 -1.479 -5.593 1.740 1.00 0.00 N ATOM 627 CA VAL A 41 -2.360 -4.547 1.238 1.00 0.00 C ATOM 628 C VAL A 41 -1.834 -4.021 -0.096 1.00 0.00 C ATOM 629 O VAL A 41 -0.663 -3.654 -0.212 1.00 0.00 O ATOM 630 CB VAL A 41 -2.518 -3.391 2.263 1.00 0.00 C ATOM 631 CG1 VAL A 41 -2.598 -2.034 1.575 1.00 0.00 C ATOM 632 CG2 VAL A 41 -3.765 -3.612 3.113 1.00 0.00 C ATOM 0 H VAL A 41 -0.488 -5.355 1.689 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.349 -4.980 1.085 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.634 -3.393 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.708 -1.251 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.687 -1.862 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.457 -2.016 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.867 -2.796 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.644 -3.642 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.677 -4.557 3.650 1.00 0.00 H new ATOM 642 N ILE A 42 -2.702 -3.987 -1.102 1.00 0.00 N ATOM 643 CA ILE A 42 -2.298 -3.598 -2.437 1.00 0.00 C ATOM 644 C ILE A 42 -2.843 -2.226 -2.760 1.00 0.00 C ATOM 645 O ILE A 42 -3.999 -2.082 -3.147 1.00 0.00 O ATOM 646 CB ILE A 42 -2.787 -4.600 -3.507 1.00 0.00 C ATOM 647 CG1 ILE A 42 -2.281 -6.012 -3.190 1.00 0.00 C ATOM 648 CG2 ILE A 42 -2.316 -4.168 -4.890 1.00 0.00 C ATOM 649 CD1 ILE A 42 -2.755 -7.067 -4.172 1.00 0.00 C ATOM 0 H ILE A 42 -3.690 -4.226 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.208 -3.588 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.877 -4.612 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.191 -6.003 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.608 -6.289 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.668 -4.883 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.716 -3.180 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.227 -4.131 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.356 -8.039 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.844 -7.105 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.405 -6.815 -5.173 1.00 0.00 H new ATOM 661 N ILE A 43 -2.022 -1.221 -2.561 1.00 0.00 N ATOM 662 CA ILE A 43 -2.386 0.130 -2.907 1.00 0.00 C ATOM 663 C ILE A 43 -1.773 0.477 -4.227 1.00 0.00 C ATOM 664 O ILE A 43 -0.904 -0.222 -4.730 1.00 0.00 O ATOM 665 CB ILE A 43 -1.875 1.191 -1.921 1.00 0.00 C ATOM 666 CG1 ILE A 43 -1.833 0.670 -0.487 1.00 0.00 C ATOM 667 CG2 ILE A 43 -2.754 2.433 -2.011 1.00 0.00 C ATOM 668 CD1 ILE A 43 -1.156 1.628 0.471 1.00 0.00 C ATOM 0 H ILE A 43 -1.090 -1.317 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.476 0.146 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.851 1.443 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.851 0.481 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.308 -0.285 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.392 3.186 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.718 2.832 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.782 2.170 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.158 1.201 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.128 1.797 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.694 2.576 0.479 1.00 0.00 H new ATOM 680 N THR A 44 -2.260 1.529 -4.804 1.00 0.00 N ATOM 681 CA THR A 44 -1.534 2.195 -5.831 1.00 0.00 C ATOM 682 C THR A 44 -1.700 3.699 -5.660 1.00 0.00 C ATOM 683 O THR A 44 -2.426 4.329 -6.392 1.00 0.00 O ATOM 684 CB THR A 44 -2.006 1.729 -7.217 1.00 0.00 C ATOM 685 OG1 THR A 44 -1.490 2.607 -8.210 1.00 0.00 O ATOM 686 CG2 THR A 44 -3.528 1.677 -7.303 1.00 0.00 C ATOM 0 H THR A 44 -3.163 1.945 -4.578 1.00 0.00 H new ATOM 0 HA THR A 44 -0.475 1.948 -5.753 1.00 0.00 H new ATOM 0 HB THR A 44 -1.632 0.719 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.523 2.474 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.825 1.343 -8.297 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.911 0.981 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.937 2.670 -7.116 1.00 0.00 H new ATOM 694 N LEU A 45 -0.999 4.282 -4.698 1.00 0.00 N ATOM 695 CA LEU A 45 -1.239 5.679 -4.341 1.00 0.00 C ATOM 696 C LEU A 45 -0.281 6.582 -5.083 1.00 0.00 C ATOM 697 O LEU A 45 0.716 7.067 -4.558 1.00 0.00 O ATOM 698 CB LEU A 45 -1.144 5.904 -2.825 1.00 0.00 C ATOM 699 CG LEU A 45 0.228 5.731 -2.201 1.00 0.00 C ATOM 700 CD1 LEU A 45 0.631 7.003 -1.478 1.00 0.00 C ATOM 701 CD2 LEU A 45 0.236 4.564 -1.232 1.00 0.00 C ATOM 0 H LEU A 45 -0.269 3.820 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.257 5.930 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.493 6.913 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.832 5.216 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 45 0.944 5.524 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.617 6.871 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.661 7.831 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.095 7.222 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.230 4.459 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.490 4.744 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.026 3.649 -1.763 1.00 0.00 H new ATOM 713 N LYS A 46 -0.582 6.743 -6.336 1.00 0.00 N ATOM 714 CA LYS A 46 0.224 7.570 -7.213 1.00 0.00 C ATOM 715 C LYS A 46 -0.522 7.968 -8.470 1.00 0.00 C ATOM 716 O LYS A 46 -1.000 9.089 -8.617 1.00 0.00 O ATOM 717 CB LYS A 46 1.543 6.888 -7.592 1.00 0.00 C ATOM 718 CG LYS A 46 2.756 7.505 -6.910 1.00 0.00 C ATOM 719 CD LYS A 46 2.855 9.007 -7.171 1.00 0.00 C ATOM 720 CE LYS A 46 3.158 9.319 -8.630 1.00 0.00 C ATOM 721 NZ LYS A 46 3.067 10.775 -8.916 1.00 0.00 N ATOM 0 H LYS A 46 -1.388 6.311 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 46 0.449 8.473 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.486 5.831 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.675 6.943 -8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.698 7.326 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.662 7.014 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.918 9.486 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.636 9.433 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.158 8.962 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.460 8.779 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.280 10.946 -9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.106 11.111 -8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.751 11.288 -8.325 1.00 0.00 H new ATOM 735 N GLU A 47 -0.627 6.984 -9.345 1.00 0.00 N ATOM 736 CA GLU A 47 -0.923 7.179 -10.747 1.00 0.00 C ATOM 737 C GLU A 47 -0.827 5.797 -11.389 1.00 0.00 C ATOM 738 O GLU A 47 -1.052 4.797 -10.708 1.00 0.00 O ATOM 739 CB GLU A 47 0.130 8.137 -11.323 1.00 0.00 C ATOM 740 CG GLU A 47 -0.198 8.742 -12.675 1.00 0.00 C ATOM 741 CD GLU A 47 0.909 9.659 -13.149 1.00 0.00 C ATOM 742 OE1 GLU A 47 1.893 9.152 -13.730 1.00 0.00 O ATOM 743 OE2 GLU A 47 0.818 10.881 -12.904 1.00 0.00 O ATOM 0 H GLU A 47 -0.505 6.004 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.908 7.609 -10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.285 8.948 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.075 7.601 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.352 7.947 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.132 9.300 -12.610 1.00 0.00 H new ATOM 750 N ASN A 48 -0.446 5.717 -12.655 1.00 0.00 N ATOM 751 CA ASN A 48 -0.172 4.422 -13.280 1.00 0.00 C ATOM 752 C ASN A 48 1.251 3.983 -12.937 1.00 0.00 C ATOM 753 O ASN A 48 1.804 3.071 -13.549 1.00 0.00 O ATOM 754 CB ASN A 48 -0.344 4.496 -14.801 1.00 0.00 C ATOM 755 CG ASN A 48 -1.716 4.995 -15.210 1.00 0.00 C ATOM 756 OD1 ASN A 48 -1.920 6.196 -15.384 1.00 0.00 O ATOM 757 ND2 ASN A 48 -2.667 4.083 -15.357 1.00 0.00 N ATOM 0 H ASN A 48 -0.319 6.522 -13.269 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.885 3.693 -12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.417 5.156 -15.217 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.178 3.508 -15.230 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.609 4.367 -15.624 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.456 3.097 -15.203 1.00 0.00 H new ATOM 764 N LYS A 49 1.816 4.644 -11.930 1.00 0.00 N ATOM 765 CA LYS A 49 3.188 4.421 -11.495 1.00 0.00 C ATOM 766 C LYS A 49 3.414 2.992 -10.997 1.00 0.00 C ATOM 767 O LYS A 49 4.471 2.412 -11.238 1.00 0.00 O ATOM 768 CB LYS A 49 3.548 5.437 -10.409 1.00 0.00 C ATOM 769 CG LYS A 49 4.948 5.263 -9.852 1.00 0.00 C ATOM 770 CD LYS A 49 5.312 6.369 -8.876 1.00 0.00 C ATOM 771 CE LYS A 49 6.725 6.205 -8.337 1.00 0.00 C ATOM 772 NZ LYS A 49 7.746 6.304 -9.413 1.00 0.00 N ATOM 0 H LYS A 49 1.327 5.357 -11.389 1.00 0.00 H new ATOM 0 HA LYS A 49 3.842 4.558 -12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.452 6.443 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.829 5.354 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.022 4.298 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.666 5.252 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.222 7.335 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.605 6.369 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.917 6.969 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.814 5.239 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.691 6.391 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.710 5.450 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.552 7.140 -10.000 1.00 0.00 H new ATOM 786 N GLY A 50 2.444 2.428 -10.290 1.00 0.00 N ATOM 787 CA GLY A 50 2.582 1.054 -9.851 1.00 0.00 C ATOM 788 C GLY A 50 2.012 0.813 -8.471 1.00 0.00 C ATOM 789 O GLY A 50 1.325 1.673 -7.913 1.00 0.00 O ATOM 0 H GLY A 50 1.576 2.889 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.081 0.399 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.637 0.782 -9.854 1.00 0.00 H new ATOM 793 N GLN A 51 2.364 -0.326 -7.892 1.00 0.00 N ATOM 794 CA GLN A 51 1.742 -0.794 -6.661 1.00 0.00 C ATOM 795 C GLN A 51 2.430 -0.263 -5.428 1.00 0.00 C ATOM 796 O GLN A 51 3.623 0.026 -5.425 1.00 0.00 O ATOM 797 CB GLN A 51 1.768 -2.317 -6.595 1.00 0.00 C ATOM 798 CG GLN A 51 0.999 -3.008 -7.706 1.00 0.00 C ATOM 799 CD GLN A 51 1.255 -4.504 -7.735 1.00 0.00 C ATOM 800 OE1 GLN A 51 2.187 -4.970 -8.388 1.00 0.00 O ATOM 801 NE2 GLN A 51 0.430 -5.262 -7.036 1.00 0.00 N ATOM 0 H GLN A 51 3.084 -0.948 -8.259 1.00 0.00 H new ATOM 0 HA GLN A 51 0.717 -0.423 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.805 -2.652 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.359 -2.634 -5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.068 -2.826 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.281 -2.574 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.331 -4.835 -6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.554 -6.274 -7.024 1.00 0.00 H new ATOM 810 N ARG A 52 1.641 -0.142 -4.382 1.00 0.00 N ATOM 811 CA ARG A 52 2.127 0.223 -3.077 1.00 0.00 C ATOM 812 C ARG A 52 1.748 -0.862 -2.098 1.00 0.00 C ATOM 813 O ARG A 52 0.587 -0.969 -1.713 1.00 0.00 O ATOM 814 CB ARG A 52 1.515 1.545 -2.599 1.00 0.00 C ATOM 815 CG ARG A 52 1.467 2.652 -3.627 1.00 0.00 C ATOM 816 CD ARG A 52 2.848 3.127 -4.056 1.00 0.00 C ATOM 817 NE ARG A 52 3.054 2.964 -5.499 1.00 0.00 N ATOM 818 CZ ARG A 52 4.226 3.140 -6.114 1.00 0.00 C ATOM 819 NH1 ARG A 52 5.281 3.583 -5.444 1.00 0.00 N ATOM 820 NH2 ARG A 52 4.338 2.892 -7.412 1.00 0.00 N ATOM 0 H ARG A 52 0.633 -0.297 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 52 3.209 0.343 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.500 1.351 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.083 1.897 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.921 2.303 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.910 3.495 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.972 4.176 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.610 2.567 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 52 2.251 2.699 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.202 3.793 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.172 3.714 -5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.529 2.567 -7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.233 3.027 -7.882 1.00 0.00 H new ATOM 834 N CYS A 53 2.700 -1.678 -1.708 1.00 0.00 N ATOM 835 CA CYS A 53 2.405 -2.702 -0.734 1.00 0.00 C ATOM 836 C CYS A 53 2.613 -2.147 0.656 1.00 0.00 C ATOM 837 O CYS A 53 3.681 -1.613 0.964 1.00 0.00 O ATOM 838 CB CYS A 53 3.297 -3.927 -0.904 1.00 0.00 C ATOM 839 SG CYS A 53 3.712 -4.361 -2.620 1.00 0.00 S ATOM 0 H CYS A 53 3.664 -1.655 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 53 1.369 -3.007 -0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.224 -3.759 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.803 -4.781 -0.441 1.00 0.00 H new ATOM 844 N LEU A 54 1.592 -2.241 1.481 1.00 0.00 N ATOM 845 CA LEU A 54 1.736 -1.887 2.875 1.00 0.00 C ATOM 846 C LEU A 54 2.163 -3.140 3.619 1.00 0.00 C ATOM 847 O LEU A 54 1.356 -4.048 3.805 1.00 0.00 O ATOM 848 CB LEU A 54 0.421 -1.326 3.440 1.00 0.00 C ATOM 849 CG LEU A 54 0.564 -0.282 4.558 1.00 0.00 C ATOM 850 CD1 LEU A 54 1.246 -0.871 5.785 1.00 0.00 C ATOM 851 CD2 LEU A 54 1.329 0.932 4.051 1.00 0.00 C ATOM 0 H LEU A 54 0.660 -2.557 1.212 1.00 0.00 H new ATOM 0 HA LEU A 54 2.485 -1.104 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.142 -0.879 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.173 -2.157 3.819 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.437 0.032 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.331 -0.106 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.655 -1.705 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.241 -1.225 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.423 1.664 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.322 0.625 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.791 1.378 3.214 1.00 0.00 H new ATOM 863 N ASN A 55 3.445 -3.180 3.993 1.00 0.00 N ATOM 864 CA ASN A 55 4.064 -4.352 4.618 1.00 0.00 C ATOM 865 C ASN A 55 3.145 -5.003 5.650 1.00 0.00 C ATOM 866 O ASN A 55 2.361 -4.313 6.302 1.00 0.00 O ATOM 867 CB ASN A 55 5.401 -3.968 5.272 1.00 0.00 C ATOM 868 CG ASN A 55 6.493 -3.668 4.258 1.00 0.00 C ATOM 869 OD1 ASN A 55 6.225 -3.208 3.147 1.00 0.00 O ATOM 870 ND2 ASN A 55 7.737 -3.925 4.632 1.00 0.00 N ATOM 0 H ASN A 55 4.086 -2.396 3.870 1.00 0.00 H new ATOM 0 HA ASN A 55 4.244 -5.082 3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.251 -3.094 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.728 -4.780 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.510 -3.742 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.922 -4.306 5.560 1.00 0.00 H new ATOM 877 N PRO A 56 3.268 -6.344 5.803 1.00 0.00 N ATOM 878 CA PRO A 56 2.392 -7.209 6.629 1.00 0.00 C ATOM 879 C PRO A 56 1.896 -6.619 7.955 1.00 0.00 C ATOM 880 O PRO A 56 0.903 -7.097 8.508 1.00 0.00 O ATOM 881 CB PRO A 56 3.290 -8.408 6.900 1.00 0.00 C ATOM 882 CG PRO A 56 4.085 -8.553 5.652 1.00 0.00 C ATOM 883 CD PRO A 56 4.296 -7.159 5.117 1.00 0.00 C ATOM 0 HA PRO A 56 1.459 -7.405 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.932 -8.238 7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.706 -9.305 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.039 -9.040 5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.558 -9.172 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.301 -6.797 5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.173 -7.126 4.034 1.00 0.00 H new ATOM 891 N LYS A 57 2.591 -5.620 8.483 1.00 0.00 N ATOM 892 CA LYS A 57 2.133 -4.919 9.677 1.00 0.00 C ATOM 893 C LYS A 57 0.755 -4.306 9.421 1.00 0.00 C ATOM 894 O LYS A 57 -0.135 -4.387 10.266 1.00 0.00 O ATOM 895 CB LYS A 57 3.128 -3.818 10.068 1.00 0.00 C ATOM 896 CG LYS A 57 4.560 -4.311 10.243 1.00 0.00 C ATOM 897 CD LYS A 57 4.660 -5.405 11.295 1.00 0.00 C ATOM 898 CE LYS A 57 4.201 -4.918 12.662 1.00 0.00 C ATOM 899 NZ LYS A 57 4.270 -5.992 13.684 1.00 0.00 N ATOM 0 H LYS A 57 3.474 -5.276 8.104 1.00 0.00 H new ATOM 0 HA LYS A 57 2.064 -5.634 10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.113 -3.041 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.797 -3.357 10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.933 -4.688 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.199 -3.475 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.054 -6.258 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.691 -5.753 11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.821 -4.078 12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.178 -4.549 12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.949 -5.620 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.658 -6.783 13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.251 -6.327 13.770 1.00 0.00 H new ATOM 913 N SER A 58 0.602 -3.702 8.237 1.00 0.00 N ATOM 914 CA SER A 58 -0.660 -3.091 7.803 1.00 0.00 C ATOM 915 C SER A 58 -1.166 -2.045 8.801 1.00 0.00 C ATOM 916 O SER A 58 -2.343 -1.683 8.795 1.00 0.00 O ATOM 917 CB SER A 58 -1.719 -4.177 7.590 1.00 0.00 C ATOM 918 OG SER A 58 -1.277 -5.135 6.645 1.00 0.00 O ATOM 0 H SER A 58 1.352 -3.623 7.551 1.00 0.00 H new ATOM 0 HA SER A 58 -0.471 -2.576 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.937 -4.669 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.648 -3.722 7.246 1.00 0.00 H new ATOM 0 HG SER A 58 -2.049 -5.621 6.287 1.00 0.00 H new ATOM 924 N LYS A 59 -0.255 -1.523 9.615 1.00 0.00 N ATOM 925 CA LYS A 59 -0.614 -0.627 10.706 1.00 0.00 C ATOM 926 C LYS A 59 -1.186 0.689 10.174 1.00 0.00 C ATOM 927 O LYS A 59 -2.133 1.235 10.734 1.00 0.00 O ATOM 928 CB LYS A 59 0.616 -0.365 11.578 1.00 0.00 C ATOM 929 CG LYS A 59 0.299 -0.185 13.053 1.00 0.00 C ATOM 930 CD LYS A 59 1.573 -0.127 13.880 1.00 0.00 C ATOM 931 CE LYS A 59 1.289 -0.164 15.373 1.00 0.00 C ATOM 932 NZ LYS A 59 0.495 1.008 15.825 1.00 0.00 N ATOM 0 H LYS A 59 0.745 -1.708 9.538 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.388 -1.103 11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.313 -1.196 11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.123 0.528 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.274 0.731 13.196 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.326 -1.009 13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.216 -0.966 13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.120 0.784 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.751 -1.080 15.616 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.232 -0.194 15.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.384 0.974 16.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.987 1.884 15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.443 0.986 15.375 1.00 0.00 H new ATOM 946 N GLN A 60 -0.611 1.189 9.085 1.00 0.00 N ATOM 947 CA GLN A 60 -1.077 2.433 8.484 1.00 0.00 C ATOM 948 C GLN A 60 -2.176 2.176 7.461 1.00 0.00 C ATOM 949 O GLN A 60 -3.022 3.039 7.223 1.00 0.00 O ATOM 950 CB GLN A 60 0.087 3.179 7.822 1.00 0.00 C ATOM 951 CG GLN A 60 -0.333 4.450 7.094 1.00 0.00 C ATOM 952 CD GLN A 60 0.834 5.166 6.448 1.00 0.00 C ATOM 953 OE1 GLN A 60 1.955 5.129 6.952 1.00 0.00 O ATOM 954 NE2 GLN A 60 0.580 5.822 5.325 1.00 0.00 N ATOM 0 H GLN A 60 0.175 0.754 8.602 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.490 3.051 9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.823 3.434 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.579 2.512 7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.069 4.200 6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.822 5.123 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.365 5.828 4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.329 6.321 4.845 1.00 0.00 H new ATOM 963 N ALA A 61 -2.189 0.979 6.881 1.00 0.00 N ATOM 964 CA ALA A 61 -3.205 0.628 5.891 1.00 0.00 C ATOM 965 C ALA A 61 -4.582 0.663 6.540 1.00 0.00 C ATOM 966 O ALA A 61 -5.602 0.796 5.872 1.00 0.00 O ATOM 967 CB ALA A 61 -2.928 -0.739 5.280 1.00 0.00 C ATOM 0 H ALA A 61 -1.513 0.240 7.077 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.174 1.358 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.700 -0.973 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.954 -0.728 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.931 -1.496 6.065 1.00 0.00 H new ATOM 973 N ARG A 62 -4.570 0.574 7.864 1.00 0.00 N ATOM 974 CA ARG A 62 -5.761 0.708 8.682 1.00 0.00 C ATOM 975 C ARG A 62 -6.460 2.038 8.409 1.00 0.00 C ATOM 976 O ARG A 62 -7.688 2.104 8.326 1.00 0.00 O ATOM 977 CB ARG A 62 -5.350 0.617 10.154 1.00 0.00 C ATOM 978 CG ARG A 62 -6.477 0.868 11.141 1.00 0.00 C ATOM 979 CD ARG A 62 -5.980 0.739 12.571 1.00 0.00 C ATOM 980 NE ARG A 62 -7.029 1.002 13.553 1.00 0.00 N ATOM 981 CZ ARG A 62 -6.964 0.632 14.831 1.00 0.00 C ATOM 982 NH1 ARG A 62 -5.916 -0.051 15.279 1.00 0.00 N ATOM 983 NH2 ARG A 62 -7.955 0.943 15.655 1.00 0.00 N ATOM 0 H ARG A 62 -3.721 0.405 8.403 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.462 -0.090 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.934 -0.373 10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.554 1.338 10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.890 1.864 10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.285 0.157 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.585 -0.265 12.726 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.155 1.434 12.730 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.863 1.500 13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.156 -0.294 14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.871 -0.332 16.259 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.762 1.463 15.309 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.911 0.662 16.635 1.00 0.00 H new ATOM 997 N LEU A 63 -5.666 3.090 8.254 1.00 0.00 N ATOM 998 CA LEU A 63 -6.197 4.424 8.015 1.00 0.00 C ATOM 999 C LEU A 63 -6.403 4.657 6.534 1.00 0.00 C ATOM 1000 O LEU A 63 -7.134 5.560 6.130 1.00 0.00 O ATOM 1001 CB LEU A 63 -5.256 5.486 8.591 1.00 0.00 C ATOM 1002 CG LEU A 63 -4.964 5.358 10.088 1.00 0.00 C ATOM 1003 CD1 LEU A 63 -3.992 6.439 10.534 1.00 0.00 C ATOM 1004 CD2 LEU A 63 -6.254 5.434 10.893 1.00 0.00 C ATOM 0 H LEU A 63 -4.648 3.043 8.290 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.162 4.503 8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.312 5.444 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.687 6.470 8.404 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.505 4.386 10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.795 6.334 11.601 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.058 6.339 9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.425 7.420 10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.026 5.341 11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.742 6.391 10.709 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.919 4.624 10.592 1.00 0.00 H new ATOM 1016 N ILE A 64 -5.769 3.828 5.726 1.00 0.00 N ATOM 1017 CA ILE A 64 -5.888 3.945 4.289 1.00 0.00 C ATOM 1018 C ILE A 64 -7.159 3.250 3.808 1.00 0.00 C ATOM 1019 O ILE A 64 -7.624 3.470 2.692 1.00 0.00 O ATOM 1020 CB ILE A 64 -4.641 3.364 3.571 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.370 4.035 4.104 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -4.742 3.547 2.061 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -2.091 3.469 3.520 1.00 0.00 C ATOM 0 H ILE A 64 -5.167 3.068 6.042 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.950 5.004 4.038 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.594 2.295 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.416 5.103 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.342 3.929 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.855 3.131 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.629 3.032 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.815 4.609 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.234 3.993 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.021 2.408 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.096 3.599 2.438 1.00 0.00 H new ATOM 1035 N ILE A 65 -7.743 2.446 4.678 1.00 0.00 N ATOM 1036 CA ILE A 65 -8.973 1.744 4.357 1.00 0.00 C ATOM 1037 C ILE A 65 -10.108 2.728 4.137 1.00 0.00 C ATOM 1038 O ILE A 65 -10.844 2.623 3.158 1.00 0.00 O ATOM 1039 CB ILE A 65 -9.364 0.728 5.450 1.00 0.00 C ATOM 1040 CG1 ILE A 65 -8.470 -0.514 5.364 1.00 0.00 C ATOM 1041 CG2 ILE A 65 -10.833 0.351 5.322 1.00 0.00 C ATOM 1042 CD1 ILE A 65 -8.523 -1.209 4.018 1.00 0.00 C ATOM 0 H ILE A 65 -7.384 2.262 5.615 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.792 1.189 3.436 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.216 1.188 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.440 -0.225 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.767 -1.220 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.094 -0.366 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -11.449 1.244 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -11.010 -0.095 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.866 -2.078 4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.545 -1.529 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.197 -0.519 3.239 1.00 0.00 H new ATOM 1054 N LYS A 66 -10.228 3.712 5.019 1.00 0.00 N ATOM 1055 CA LYS A 66 -11.270 4.711 4.863 1.00 0.00 C ATOM 1056 C LYS A 66 -10.905 5.660 3.724 1.00 0.00 C ATOM 1057 O LYS A 66 -11.688 6.521 3.323 1.00 0.00 O ATOM 1058 CB LYS A 66 -11.505 5.497 6.158 1.00 0.00 C ATOM 1059 CG LYS A 66 -12.727 6.400 6.082 1.00 0.00 C ATOM 1060 CD LYS A 66 -12.950 7.183 7.362 1.00 0.00 C ATOM 1061 CE LYS A 66 -14.195 8.050 7.252 1.00 0.00 C ATOM 1062 NZ LYS A 66 -14.490 8.781 8.514 1.00 0.00 N ATOM 0 H LYS A 66 -9.628 3.837 5.834 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.200 4.195 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.625 4.798 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.625 6.101 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.610 7.095 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.609 5.796 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.053 6.495 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.082 7.809 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.065 8.767 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.048 7.424 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.347 9.357 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.641 8.098 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.688 9.399 8.753 1.00 0.00 H new ATOM 1076 N LYS A 67 -9.717 5.464 3.179 1.00 0.00 N ATOM 1077 CA LYS A 67 -9.243 6.281 2.081 1.00 0.00 C ATOM 1078 C LYS A 67 -9.656 5.644 0.765 1.00 0.00 C ATOM 1079 O LYS A 67 -9.830 6.321 -0.245 1.00 0.00 O ATOM 1080 CB LYS A 67 -7.724 6.474 2.161 1.00 0.00 C ATOM 1081 CG LYS A 67 -7.304 7.499 3.210 1.00 0.00 C ATOM 1082 CD LYS A 67 -5.853 7.330 3.656 1.00 0.00 C ATOM 1083 CE LYS A 67 -4.878 7.346 2.489 1.00 0.00 C ATOM 1084 NZ LYS A 67 -4.893 8.639 1.760 1.00 0.00 N ATOM 0 H LYS A 67 -9.062 4.743 3.482 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.695 7.271 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.254 5.517 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.352 6.788 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.441 8.502 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.958 7.413 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.595 8.129 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.750 6.390 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.871 7.151 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.127 6.540 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.996 8.462 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.691 9.216 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.002 9.147 1.935 1.00 0.00 H new ATOM 1098 N VAL A 68 -9.832 4.329 0.805 1.00 0.00 N ATOM 1099 CA VAL A 68 -10.395 3.591 -0.312 1.00 0.00 C ATOM 1100 C VAL A 68 -11.908 3.557 -0.158 1.00 0.00 C ATOM 1101 O VAL A 68 -12.649 3.245 -1.092 1.00 0.00 O ATOM 1102 CB VAL A 68 -9.868 2.142 -0.357 1.00 0.00 C ATOM 1103 CG1 VAL A 68 -10.127 1.507 -1.715 1.00 0.00 C ATOM 1104 CG2 VAL A 68 -8.393 2.101 -0.016 1.00 0.00 C ATOM 0 H VAL A 68 -9.589 3.750 1.609 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.103 4.089 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.409 1.562 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.745 0.486 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.199 1.494 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.623 2.085 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.040 1.071 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.836 2.702 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.240 2.501 0.986 1.00 0.00 H new ATOM 1114 N GLU A 69 -12.352 3.880 1.051 1.00 0.00 N ATOM 1115 CA GLU A 69 -13.762 3.854 1.393 1.00 0.00 C ATOM 1116 C GLU A 69 -14.501 5.040 0.776 1.00 0.00 C ATOM 1117 O GLU A 69 -15.707 4.972 0.533 1.00 0.00 O ATOM 1118 CB GLU A 69 -13.913 3.882 2.912 1.00 0.00 C ATOM 1119 CG GLU A 69 -15.348 3.889 3.385 1.00 0.00 C ATOM 1120 CD GLU A 69 -15.471 4.246 4.849 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -15.118 3.406 5.702 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -15.922 5.371 5.151 1.00 0.00 O ATOM 0 H GLU A 69 -11.743 4.166 1.818 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.200 2.939 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.406 3.014 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.408 4.766 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.920 4.602 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.788 2.906 3.215 1.00 0.00 H new ATOM 1129 N ARG A 70 -13.769 6.120 0.526 1.00 0.00 N ATOM 1130 CA ARG A 70 -14.358 7.349 0.008 1.00 0.00 C ATOM 1131 C ARG A 70 -14.976 7.111 -1.372 1.00 0.00 C ATOM 1132 O ARG A 70 -14.273 7.056 -2.385 1.00 0.00 O ATOM 1133 CB ARG A 70 -13.298 8.451 -0.063 1.00 0.00 C ATOM 1134 CG ARG A 70 -13.878 9.854 -0.102 1.00 0.00 C ATOM 1135 CD ARG A 70 -12.787 10.911 -0.197 1.00 0.00 C ATOM 1136 NE ARG A 70 -12.120 10.899 -1.499 1.00 0.00 N ATOM 1137 CZ ARG A 70 -11.877 11.995 -2.220 1.00 0.00 C ATOM 1138 NH1 ARG A 70 -12.218 13.193 -1.759 1.00 0.00 N ATOM 1139 NH2 ARG A 70 -11.276 11.896 -3.398 1.00 0.00 N ATOM 0 H ARG A 70 -12.761 6.169 0.675 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.150 7.667 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -12.638 8.364 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.684 8.296 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.550 9.947 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.475 10.026 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.221 11.896 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.050 10.743 0.589 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.823 10.000 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.669 13.280 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.029 14.026 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.999 10.981 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.091 12.735 -3.948 1.00 0.00 H new ATOM 1153 N LYS A 71 -16.295 6.972 -1.400 1.00 0.00 N ATOM 1154 CA LYS A 71 -17.004 6.591 -2.611 1.00 0.00 C ATOM 1155 C LYS A 71 -17.222 7.792 -3.523 1.00 0.00 C ATOM 1156 O LYS A 71 -18.191 8.535 -3.383 1.00 0.00 O ATOM 1157 CB LYS A 71 -18.342 5.942 -2.251 1.00 0.00 C ATOM 1158 CG LYS A 71 -19.068 5.300 -3.426 1.00 0.00 C ATOM 1159 CD LYS A 71 -20.350 4.617 -2.970 1.00 0.00 C ATOM 1160 CE LYS A 71 -21.041 3.870 -4.100 1.00 0.00 C ATOM 1161 NZ LYS A 71 -21.469 4.771 -5.200 1.00 0.00 N ATOM 0 H LYS A 71 -16.898 7.119 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.393 5.869 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.170 5.183 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.991 6.698 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.302 6.060 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.415 4.572 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.120 3.920 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -21.031 5.364 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -20.365 3.113 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.911 3.345 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -22.051 4.239 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -22.026 5.557 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.630 5.149 -5.685 1.00 0.00 H new ATOM 1175 N ASN A 72 -16.293 7.984 -4.446 1.00 0.00 N ATOM 1176 CA ASN A 72 -16.406 9.039 -5.445 1.00 0.00 C ATOM 1177 C ASN A 72 -16.880 8.443 -6.755 1.00 0.00 C ATOM 1178 O ASN A 72 -16.920 9.111 -7.788 1.00 0.00 O ATOM 1179 CB ASN A 72 -15.060 9.738 -5.642 1.00 0.00 C ATOM 1180 CG ASN A 72 -14.645 10.550 -4.434 1.00 0.00 C ATOM 1181 OD1 ASN A 72 -13.991 9.903 -3.486 1.00 0.00 O flip ATOM 1182 ND2 ASN A 72 -14.923 11.746 -4.347 1.00 0.00 N flip ATOM 0 H ASN A 72 -15.447 7.420 -4.525 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.128 9.779 -5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.295 8.992 -5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.118 10.392 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.430 12.208 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.647 12.275 -3.520 1.00 0.00 H new ATOM 1189 N PHE A 73 -17.229 7.169 -6.694 1.00 0.00 N ATOM 1190 CA PHE A 73 -17.705 6.436 -7.848 1.00 0.00 C ATOM 1191 C PHE A 73 -19.142 5.984 -7.620 1.00 0.00 C ATOM 1192 O PHE A 73 -19.365 5.087 -6.782 1.00 0.00 O ATOM 1193 CB PHE A 73 -16.782 5.242 -8.145 1.00 0.00 C ATOM 1194 CG PHE A 73 -16.207 4.583 -6.914 1.00 0.00 C ATOM 1195 CD1 PHE A 73 -15.002 5.018 -6.378 1.00 0.00 C ATOM 1196 CD2 PHE A 73 -16.863 3.528 -6.298 1.00 0.00 C ATOM 1197 CE1 PHE A 73 -14.471 4.422 -5.251 1.00 0.00 C ATOM 1198 CE2 PHE A 73 -16.335 2.927 -5.171 1.00 0.00 C ATOM 1199 CZ PHE A 73 -15.136 3.374 -4.648 1.00 0.00 C ATOM 1200 OXT PHE A 73 -20.051 6.540 -8.267 1.00 0.00 O ATOM 0 H PHE A 73 -17.189 6.615 -5.839 1.00 0.00 H new ATOM 0 HA PHE A 73 -17.688 7.091 -8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -17.340 4.499 -8.714 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.962 5.580 -8.779 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.473 5.833 -6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -17.798 3.172 -6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.536 4.776 -4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -16.859 2.109 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.720 2.904 -3.769 1.00 0.00 H new TER 1210 PHE A 73