USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 106 THR OG1 : rot 180:sc= 0.702 USER MOD Set 1.2: A 115 THR OG1 : rot -96:sc= -0.0596 USER MOD Set 2.1: A 49 ASN : amide:sc= -3.56 K(o=-13,f=-8) USER MOD Set 2.2: A 53 GLN : amide:sc= -5.53! C(o=-13!,f=-8!) USER MOD Set 2.3: A 65 MET CE :methyl -155:sc= -4.26! (180deg=-3.96!) USER MOD Set 3.1: A 44 TYR OH : rot 174:sc= 1.14 USER MOD Set 3.2: A 114 CYS SG : rot 180:sc= -0.474 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0 (180deg=-0.783) USER MOD Single : A 3 THR OG1 : rot -70:sc= 0.442 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 15 GLN : amide:sc= -0.0026 X(o=-0.0026,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -84:sc= -3.21! USER MOD Single : A 28 SER OG : rot 160:sc= -1.97! USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.483 K(o=-0.48,f=-3.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.27 K(o=-3.3,f=-4.8!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 51 SER OG : rot -68:sc= 0.58 USER MOD Single : A 61 SER OG : rot 180:sc= -0.343 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.937! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.645 K(o=-0.65,f=-0.048) USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= -0.285 (180deg=-1.1) USER MOD Single : A 105 THR OG1 : rot -8:sc= 0.924 USER MOD Single : A 107 LYS NZ :NH3+ -148:sc= -0.0684 (180deg=-0.162) USER MOD Single : A 112 SER OG : rot 18:sc=0.000293 USER MOD Single : A 117 CYS SG : rot -140:sc= -3.68! USER MOD Single : A 121 LYS NZ :NH3+ 160:sc= -0.519 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.914 24.560 4.825 1.00 0.00 N ATOM 2 CA GLY A 1 -7.479 24.168 4.751 1.00 0.00 C ATOM 3 C GLY A 1 -7.033 23.366 5.958 1.00 0.00 C ATOM 4 O GLY A 1 -7.299 22.167 6.047 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.357 24.434 3.892 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.401 23.963 5.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.987 25.557 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.312 23.582 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.865 25.064 4.667 1.00 0.00 H new ATOM 10 N LEU A 2 -6.351 24.026 6.887 1.00 0.00 N ATOM 11 CA LEU A 2 -5.867 23.362 8.090 1.00 0.00 C ATOM 12 C LEU A 2 -7.029 22.773 8.893 1.00 0.00 C ATOM 13 O LEU A 2 -7.514 21.691 8.563 1.00 0.00 O ATOM 14 CB LEU A 2 -5.039 24.335 8.940 1.00 0.00 C ATOM 15 CG LEU A 2 -4.344 23.707 10.153 1.00 0.00 C ATOM 16 CD1 LEU A 2 -2.851 24.002 10.128 1.00 0.00 C ATOM 17 CD2 LEU A 2 -4.965 24.210 11.449 1.00 0.00 C ATOM 0 H LEU A 2 -6.121 25.018 6.830 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.220 22.536 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.282 24.795 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.692 25.135 9.289 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.482 22.627 10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.376 23.548 10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.414 23.590 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.693 25.080 10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.457 23.752 12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.861 25.294 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.022 23.945 11.473 1.00 0.00 H new ATOM 29 N THR A 3 -7.475 23.469 9.947 1.00 0.00 N ATOM 30 CA THR A 3 -8.574 22.975 10.779 1.00 0.00 C ATOM 31 C THR A 3 -8.424 21.477 11.015 1.00 0.00 C ATOM 32 O THR A 3 -9.202 20.675 10.499 1.00 0.00 O ATOM 33 CB THR A 3 -9.924 23.274 10.124 1.00 0.00 C ATOM 34 OG1 THR A 3 -10.975 22.642 10.832 1.00 0.00 O ATOM 35 CG2 THR A 3 -10.005 22.821 8.682 1.00 0.00 C ATOM 0 H THR A 3 -7.094 24.368 10.240 1.00 0.00 H new ATOM 0 HA THR A 3 -8.536 23.489 11.739 1.00 0.00 H new ATOM 0 HB THR A 3 -10.024 24.359 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.923 21.673 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.988 23.064 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.238 23.329 8.097 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.847 21.744 8.630 1.00 0.00 H new ATOM 43 N ALA A 4 -7.395 21.105 11.769 1.00 0.00 N ATOM 44 CA ALA A 4 -7.122 19.702 12.032 1.00 0.00 C ATOM 45 C ALA A 4 -6.764 18.998 10.727 1.00 0.00 C ATOM 46 O ALA A 4 -6.914 17.784 10.598 1.00 0.00 O ATOM 47 CB ALA A 4 -8.323 19.037 12.689 1.00 0.00 C ATOM 0 H ALA A 4 -6.741 21.754 12.206 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.279 19.626 12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.099 17.987 12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.545 19.536 13.632 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.186 19.111 12.028 1.00 0.00 H new ATOM 53 N THR A 5 -6.298 19.787 9.756 1.00 0.00 N ATOM 54 CA THR A 5 -5.924 19.273 8.443 1.00 0.00 C ATOM 55 C THR A 5 -6.987 18.314 7.915 1.00 0.00 C ATOM 56 O THR A 5 -6.676 17.297 7.296 1.00 0.00 O ATOM 57 CB THR A 5 -4.562 18.583 8.512 1.00 0.00 C ATOM 58 OG1 THR A 5 -3.572 19.479 8.986 1.00 0.00 O ATOM 59 CG2 THR A 5 -4.089 18.042 7.179 1.00 0.00 C ATOM 0 H THR A 5 -6.171 20.794 9.860 1.00 0.00 H new ATOM 0 HA THR A 5 -5.853 20.113 7.752 1.00 0.00 H new ATOM 0 HB THR A 5 -4.700 17.744 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.707 19.020 9.025 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.116 17.566 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.806 17.310 6.808 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.003 18.860 6.464 1.00 0.00 H new ATOM 67 N LEU A 6 -8.248 18.651 8.169 1.00 0.00 N ATOM 68 CA LEU A 6 -9.365 17.823 7.724 1.00 0.00 C ATOM 69 C LEU A 6 -9.731 18.137 6.277 1.00 0.00 C ATOM 70 O LEU A 6 -9.775 17.246 5.430 1.00 0.00 O ATOM 71 CB LEU A 6 -10.580 18.040 8.628 1.00 0.00 C ATOM 72 CG LEU A 6 -10.611 17.174 9.888 1.00 0.00 C ATOM 73 CD1 LEU A 6 -11.647 17.699 10.870 1.00 0.00 C ATOM 74 CD2 LEU A 6 -10.900 15.725 9.529 1.00 0.00 C ATOM 0 H LEU A 6 -8.522 19.490 8.680 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.058 16.779 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.610 19.088 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.483 17.846 8.050 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.632 17.222 10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.655 17.071 11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.397 18.722 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.632 17.681 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.919 15.122 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.867 15.660 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.122 15.353 8.862 1.00 0.00 H new ATOM 86 N ALA A 7 -9.994 19.411 6.001 1.00 0.00 N ATOM 87 CA ALA A 7 -10.357 19.842 4.656 1.00 0.00 C ATOM 88 C ALA A 7 -9.200 19.642 3.684 1.00 0.00 C ATOM 89 O ALA A 7 -9.407 19.334 2.511 1.00 0.00 O ATOM 90 CB ALA A 7 -10.794 21.299 4.668 1.00 0.00 C ATOM 0 H ALA A 7 -9.962 20.162 6.691 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.191 19.227 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.062 21.607 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.657 21.415 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.976 21.921 5.032 1.00 0.00 H new ATOM 96 N ALA A 8 -7.981 19.819 4.181 1.00 0.00 N ATOM 97 CA ALA A 8 -6.789 19.659 3.358 1.00 0.00 C ATOM 98 C ALA A 8 -5.911 18.525 3.878 1.00 0.00 C ATOM 99 O ALA A 8 -6.102 18.042 4.994 1.00 0.00 O ATOM 100 CB ALA A 8 -6.002 20.959 3.311 1.00 0.00 C ATOM 0 H ALA A 8 -7.793 20.074 5.151 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.107 19.403 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.114 20.825 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.625 21.746 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.702 21.239 4.321 1.00 0.00 H new ATOM 106 N LEU A 9 -4.949 18.106 3.063 1.00 0.00 N ATOM 107 CA LEU A 9 -4.042 17.029 3.442 1.00 0.00 C ATOM 108 C LEU A 9 -2.589 17.452 3.256 1.00 0.00 C ATOM 109 O LEU A 9 -2.205 17.938 2.192 1.00 0.00 O ATOM 110 CB LEU A 9 -4.331 15.776 2.615 1.00 0.00 C ATOM 111 CG LEU A 9 -5.581 14.998 3.033 1.00 0.00 C ATOM 112 CD1 LEU A 9 -5.882 13.895 2.031 1.00 0.00 C ATOM 113 CD2 LEU A 9 -5.405 14.420 4.429 1.00 0.00 C ATOM 0 H LEU A 9 -4.777 18.496 2.136 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.204 16.805 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.435 16.065 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.470 15.111 2.678 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.427 15.686 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.774 13.352 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.051 14.333 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.038 13.208 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.303 13.870 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.548 13.746 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.237 15.229 5.139 1.00 0.00 H new ATOM 125 N THR A 10 -1.785 17.265 4.297 1.00 0.00 N ATOM 126 CA THR A 10 -0.374 17.627 4.249 1.00 0.00 C ATOM 127 C THR A 10 0.404 16.670 3.351 1.00 0.00 C ATOM 128 O THR A 10 -0.136 15.672 2.874 1.00 0.00 O ATOM 129 CB THR A 10 0.223 17.624 5.656 1.00 0.00 C ATOM 130 OG1 THR A 10 0.275 16.307 6.176 1.00 0.00 O ATOM 131 CG2 THR A 10 -0.553 18.475 6.638 1.00 0.00 C ATOM 0 H THR A 10 -2.087 16.864 5.185 1.00 0.00 H new ATOM 0 HA THR A 10 -0.297 18.631 3.832 1.00 0.00 H new ATOM 0 HB THR A 10 1.222 18.045 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.662 16.326 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.075 18.428 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.569 19.508 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.574 18.102 6.715 1.00 0.00 H new ATOM 139 N ASP A 11 1.676 16.982 3.127 1.00 0.00 N ATOM 140 CA ASP A 11 2.533 16.151 2.287 1.00 0.00 C ATOM 141 C ASP A 11 2.615 14.726 2.827 1.00 0.00 C ATOM 142 O ASP A 11 2.885 13.785 2.081 1.00 0.00 O ATOM 143 CB ASP A 11 3.934 16.758 2.196 1.00 0.00 C ATOM 144 CG ASP A 11 4.129 17.578 0.936 1.00 0.00 C ATOM 145 OD1 ASP A 11 3.821 17.064 -0.161 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.588 18.735 1.045 1.00 0.00 O ATOM 0 H ASP A 11 2.137 17.805 3.515 1.00 0.00 H new ATOM 0 HA ASP A 11 2.094 16.114 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.111 17.389 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.675 15.959 2.225 1.00 0.00 H new ATOM 151 N ASP A 12 2.386 14.573 4.129 1.00 0.00 N ATOM 152 CA ASP A 12 2.439 13.261 4.765 1.00 0.00 C ATOM 153 C ASP A 12 1.457 12.293 4.110 1.00 0.00 C ATOM 154 O ASP A 12 1.746 11.106 3.963 1.00 0.00 O ATOM 155 CB ASP A 12 2.133 13.382 6.260 1.00 0.00 C ATOM 156 CG ASP A 12 3.283 13.990 7.038 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.447 13.642 6.746 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.021 14.814 7.939 1.00 0.00 O ATOM 0 H ASP A 12 2.162 15.340 4.763 1.00 0.00 H new ATOM 0 HA ASP A 12 3.447 12.867 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.241 13.994 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.907 12.395 6.663 1.00 0.00 H new ATOM 163 N ASP A 13 0.296 12.809 3.716 1.00 0.00 N ATOM 164 CA ASP A 13 -0.723 11.985 3.075 1.00 0.00 C ATOM 165 C ASP A 13 -0.190 11.374 1.784 1.00 0.00 C ATOM 166 O ASP A 13 -0.263 10.161 1.582 1.00 0.00 O ATOM 167 CB ASP A 13 -1.972 12.818 2.782 1.00 0.00 C ATOM 168 CG ASP A 13 -3.171 11.959 2.432 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.345 11.640 1.236 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.938 11.605 3.352 1.00 0.00 O ATOM 0 H ASP A 13 0.039 13.790 3.829 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.987 11.177 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.209 13.431 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.765 13.501 1.958 1.00 0.00 H new ATOM 175 N PHE A 14 0.353 12.221 0.917 1.00 0.00 N ATOM 176 CA PHE A 14 0.906 11.765 -0.352 1.00 0.00 C ATOM 177 C PHE A 14 2.197 10.985 -0.130 1.00 0.00 C ATOM 178 O PHE A 14 2.557 10.121 -0.929 1.00 0.00 O ATOM 179 CB PHE A 14 1.164 12.952 -1.282 1.00 0.00 C ATOM 180 CG PHE A 14 -0.082 13.493 -1.921 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.661 12.846 -3.003 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.676 14.649 -1.441 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.809 13.344 -3.592 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.824 15.150 -2.025 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.390 14.496 -3.102 1.00 0.00 C ATOM 0 H PHE A 14 0.422 13.227 1.070 1.00 0.00 H new ATOM 0 HA PHE A 14 0.177 11.103 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.648 13.748 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.861 12.647 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.210 11.944 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.237 15.165 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.250 12.832 -4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.278 16.051 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.287 14.886 -3.560 1.00 0.00 H new ATOM 195 N GLN A 15 2.886 11.285 0.969 1.00 0.00 N ATOM 196 CA GLN A 15 4.125 10.602 1.298 1.00 0.00 C ATOM 197 C GLN A 15 3.828 9.167 1.699 1.00 0.00 C ATOM 198 O GLN A 15 4.619 8.258 1.443 1.00 0.00 O ATOM 199 CB GLN A 15 4.853 11.326 2.432 1.00 0.00 C ATOM 200 CG GLN A 15 6.154 10.659 2.846 1.00 0.00 C ATOM 201 CD GLN A 15 7.375 11.377 2.305 1.00 0.00 C ATOM 202 OE1 GLN A 15 8.131 11.994 3.056 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.575 11.298 0.995 1.00 0.00 N ATOM 0 H GLN A 15 2.604 11.997 1.643 1.00 0.00 H new ATOM 0 HA GLN A 15 4.771 10.603 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.062 12.350 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.193 11.383 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.210 10.624 3.934 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.158 9.628 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.923 10.776 0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.381 11.760 0.573 1.00 0.00 H new ATOM 212 N PHE A 16 2.670 8.970 2.319 1.00 0.00 N ATOM 213 CA PHE A 16 2.257 7.645 2.743 1.00 0.00 C ATOM 214 C PHE A 16 2.041 6.755 1.526 1.00 0.00 C ATOM 215 O PHE A 16 2.396 5.576 1.532 1.00 0.00 O ATOM 216 CB PHE A 16 0.977 7.719 3.580 1.00 0.00 C ATOM 217 CG PHE A 16 0.366 6.374 3.866 1.00 0.00 C ATOM 218 CD1 PHE A 16 0.942 5.518 4.792 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.781 5.964 3.203 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.385 4.280 5.052 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.343 4.728 3.460 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.758 3.885 4.385 1.00 0.00 C ATOM 0 H PHE A 16 2.005 9.712 2.537 1.00 0.00 H new ATOM 0 HA PHE A 16 3.045 7.216 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.199 8.216 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.247 8.337 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.836 5.822 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.241 6.619 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.843 3.622 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.238 4.422 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.194 2.918 4.586 1.00 0.00 H new ATOM 232 N LEU A 17 1.461 7.333 0.478 1.00 0.00 N ATOM 233 CA LEU A 17 1.204 6.598 -0.751 1.00 0.00 C ATOM 234 C LEU A 17 2.508 6.100 -1.356 1.00 0.00 C ATOM 235 O LEU A 17 2.585 4.976 -1.853 1.00 0.00 O ATOM 236 CB LEU A 17 0.457 7.479 -1.754 1.00 0.00 C ATOM 237 CG LEU A 17 -1.056 7.257 -1.791 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.782 8.397 -1.092 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.543 7.114 -3.226 1.00 0.00 C ATOM 0 H LEU A 17 1.161 8.308 0.458 1.00 0.00 H new ATOM 0 HA LEU A 17 0.580 5.736 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.652 8.525 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.862 7.298 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.278 6.331 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.857 8.221 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.459 8.451 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.551 9.337 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.622 6.957 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.306 8.021 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.050 6.262 -3.694 1.00 0.00 H new ATOM 251 N SER A 18 3.540 6.938 -1.296 1.00 0.00 N ATOM 252 CA SER A 18 4.848 6.570 -1.823 1.00 0.00 C ATOM 253 C SER A 18 5.314 5.265 -1.189 1.00 0.00 C ATOM 254 O SER A 18 5.929 4.424 -1.843 1.00 0.00 O ATOM 255 CB SER A 18 5.866 7.679 -1.553 1.00 0.00 C ATOM 256 OG SER A 18 6.852 7.727 -2.570 1.00 0.00 O ATOM 0 H SER A 18 3.495 7.872 -0.889 1.00 0.00 H new ATOM 0 HA SER A 18 4.764 6.433 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.354 8.640 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.343 7.511 -0.587 1.00 0.00 H new ATOM 0 HG SER A 18 7.489 8.445 -2.374 1.00 0.00 H new ATOM 262 N ASP A 19 4.995 5.104 0.092 1.00 0.00 N ATOM 263 CA ASP A 19 5.356 3.898 0.824 1.00 0.00 C ATOM 264 C ASP A 19 4.419 2.754 0.454 1.00 0.00 C ATOM 265 O ASP A 19 4.845 1.608 0.320 1.00 0.00 O ATOM 266 CB ASP A 19 5.307 4.153 2.331 1.00 0.00 C ATOM 267 CG ASP A 19 6.599 4.746 2.860 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.090 5.726 2.262 1.00 0.00 O ATOM 269 OD2 ASP A 19 7.117 4.231 3.873 1.00 0.00 O ATOM 0 H ASP A 19 4.487 5.795 0.643 1.00 0.00 H new ATOM 0 HA ASP A 19 6.374 3.620 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.482 4.829 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.102 3.216 2.849 1.00 0.00 H new ATOM 274 N VAL A 20 3.139 3.078 0.277 1.00 0.00 N ATOM 275 CA VAL A 20 2.147 2.077 -0.092 1.00 0.00 C ATOM 276 C VAL A 20 2.448 1.529 -1.478 1.00 0.00 C ATOM 277 O VAL A 20 2.683 0.334 -1.644 1.00 0.00 O ATOM 278 CB VAL A 20 0.722 2.663 -0.062 1.00 0.00 C ATOM 279 CG1 VAL A 20 -0.297 1.645 -0.557 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.384 3.125 1.343 1.00 0.00 C ATOM 0 H VAL A 20 2.768 4.022 0.383 1.00 0.00 H new ATOM 0 HA VAL A 20 2.199 1.269 0.638 1.00 0.00 H new ATOM 0 HB VAL A 20 0.684 3.521 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.294 2.084 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.058 1.360 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.269 0.762 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.625 3.538 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.439 2.279 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.094 3.891 1.655 1.00 0.00 H new ATOM 290 N LEU A 21 2.465 2.414 -2.467 1.00 0.00 N ATOM 291 CA LEU A 21 2.768 2.012 -3.832 1.00 0.00 C ATOM 292 C LEU A 21 4.135 1.335 -3.884 1.00 0.00 C ATOM 293 O LEU A 21 4.424 0.560 -4.795 1.00 0.00 O ATOM 294 CB LEU A 21 2.744 3.224 -4.765 1.00 0.00 C ATOM 295 CG LEU A 21 1.457 4.052 -4.719 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.694 5.443 -5.287 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.343 3.342 -5.477 1.00 0.00 C ATOM 0 H LEU A 21 2.274 3.409 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 21 2.008 1.305 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.584 3.872 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.900 2.880 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 21 1.151 4.159 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.768 6.016 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.460 5.950 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.024 5.362 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.566 3.943 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.640 3.205 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.156 2.369 -5.022 1.00 0.00 H new ATOM 309 N ASP A 22 4.969 1.633 -2.888 1.00 0.00 N ATOM 310 CA ASP A 22 6.301 1.056 -2.801 1.00 0.00 C ATOM 311 C ASP A 22 6.225 -0.412 -2.393 1.00 0.00 C ATOM 312 O ASP A 22 7.056 -1.221 -2.809 1.00 0.00 O ATOM 313 CB ASP A 22 7.155 1.835 -1.799 1.00 0.00 C ATOM 314 CG ASP A 22 8.079 2.828 -2.476 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.521 2.549 -3.611 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.361 3.884 -1.873 1.00 0.00 O ATOM 0 H ASP A 22 4.740 2.274 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 22 6.766 1.120 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.503 2.365 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.747 1.135 -1.209 1.00 0.00 H new ATOM 321 N CYS A 23 5.224 -0.754 -1.576 1.00 0.00 N ATOM 322 CA CYS A 23 5.047 -2.131 -1.115 1.00 0.00 C ATOM 323 C CYS A 23 5.230 -3.124 -2.264 1.00 0.00 C ATOM 324 O CYS A 23 5.205 -2.746 -3.435 1.00 0.00 O ATOM 325 CB CYS A 23 3.662 -2.307 -0.478 1.00 0.00 C ATOM 326 SG CYS A 23 2.306 -2.514 -1.661 1.00 0.00 S ATOM 0 H CYS A 23 4.528 -0.098 -1.222 1.00 0.00 H new ATOM 0 HA CYS A 23 5.810 -2.336 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.688 -3.175 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.452 -1.439 0.147 1.00 0.00 H new ATOM 0 HG CYS A 23 1.900 -1.347 -2.064 1.00 0.00 H new ATOM 332 N ARG A 24 5.416 -4.394 -1.920 1.00 0.00 N ATOM 333 CA ARG A 24 5.604 -5.435 -2.924 1.00 0.00 C ATOM 334 C ARG A 24 4.299 -6.177 -3.194 1.00 0.00 C ATOM 335 O ARG A 24 4.093 -6.716 -4.282 1.00 0.00 O ATOM 336 CB ARG A 24 6.684 -6.419 -2.470 1.00 0.00 C ATOM 337 CG ARG A 24 8.056 -6.134 -3.061 1.00 0.00 C ATOM 338 CD ARG A 24 8.487 -4.697 -2.812 1.00 0.00 C ATOM 339 NE ARG A 24 9.554 -4.279 -3.720 1.00 0.00 N ATOM 340 CZ ARG A 24 10.279 -3.175 -3.553 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.054 -2.375 -2.519 1.00 0.00 N ATOM 342 NH2 ARG A 24 11.233 -2.871 -4.424 1.00 0.00 N ATOM 0 H ARG A 24 5.441 -4.727 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 24 5.923 -4.958 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.754 -6.392 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.382 -7.429 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.788 -6.814 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.038 -6.328 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.629 -4.035 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.827 -4.594 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 24 9.755 -4.868 -4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.322 -2.604 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.613 -1.531 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.410 -3.483 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.789 -2.025 -4.297 1.00 0.00 H new ATOM 356 N ALA A 25 3.417 -6.199 -2.200 1.00 0.00 N ATOM 357 CA ALA A 25 2.132 -6.873 -2.334 1.00 0.00 C ATOM 358 C ALA A 25 1.086 -6.239 -1.424 1.00 0.00 C ATOM 359 O ALA A 25 1.392 -5.821 -0.308 1.00 0.00 O ATOM 360 CB ALA A 25 2.278 -8.355 -2.023 1.00 0.00 C ATOM 0 H ALA A 25 3.569 -5.758 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 25 1.795 -6.762 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.310 -8.846 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.989 -8.804 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.640 -8.479 -1.002 1.00 0.00 H new ATOM 366 N VAL A 26 -0.150 -6.174 -1.908 1.00 0.00 N ATOM 367 CA VAL A 26 -1.241 -5.593 -1.134 1.00 0.00 C ATOM 368 C VAL A 26 -2.447 -6.529 -1.099 1.00 0.00 C ATOM 369 O VAL A 26 -2.810 -7.131 -2.110 1.00 0.00 O ATOM 370 CB VAL A 26 -1.657 -4.198 -1.670 1.00 0.00 C ATOM 371 CG1 VAL A 26 -1.291 -4.028 -3.134 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.140 -3.926 -1.447 1.00 0.00 C ATOM 0 H VAL A 26 -0.421 -6.516 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.872 -5.459 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.095 -3.460 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.598 -3.039 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.213 -4.134 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.799 -4.789 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.391 -2.939 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.730 -4.682 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.360 -3.962 -0.380 1.00 0.00 H new ATOM 382 N ARG A 27 -3.056 -6.646 0.075 1.00 0.00 N ATOM 383 CA ARG A 27 -4.216 -7.508 0.259 1.00 0.00 C ATOM 384 C ARG A 27 -5.111 -6.979 1.375 1.00 0.00 C ATOM 385 O ARG A 27 -4.857 -5.911 1.931 1.00 0.00 O ATOM 386 CB ARG A 27 -3.768 -8.934 0.581 1.00 0.00 C ATOM 387 CG ARG A 27 -3.607 -9.813 -0.649 1.00 0.00 C ATOM 388 CD ARG A 27 -4.907 -9.927 -1.429 1.00 0.00 C ATOM 389 NE ARG A 27 -4.831 -9.248 -2.721 1.00 0.00 N ATOM 390 CZ ARG A 27 -4.071 -9.661 -3.732 1.00 0.00 C ATOM 391 NH1 ARG A 27 -3.322 -10.750 -3.607 1.00 0.00 N ATOM 392 NH2 ARG A 27 -4.061 -8.984 -4.873 1.00 0.00 N ATOM 0 H ARG A 27 -2.763 -6.152 0.918 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.787 -7.515 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.820 -8.896 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.495 -9.392 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.831 -9.400 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.275 -10.806 -0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.145 -10.979 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.721 -9.500 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.394 -8.408 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.327 -11.275 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.741 -11.062 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.636 -8.147 -4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.479 -9.300 -5.648 1.00 0.00 H new ATOM 406 N SER A 28 -6.158 -7.729 1.699 1.00 0.00 N ATOM 407 CA SER A 28 -7.084 -7.329 2.752 1.00 0.00 C ATOM 408 C SER A 28 -6.857 -8.145 4.018 1.00 0.00 C ATOM 409 O SER A 28 -6.777 -9.370 3.969 1.00 0.00 O ATOM 410 CB SER A 28 -8.532 -7.490 2.280 1.00 0.00 C ATOM 411 OG SER A 28 -8.590 -7.762 0.890 1.00 0.00 O ATOM 0 H SER A 28 -6.387 -8.615 1.249 1.00 0.00 H new ATOM 0 HA SER A 28 -6.899 -6.279 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.009 -8.300 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.092 -6.581 2.499 1.00 0.00 H new ATOM 0 HG SER A 28 -9.454 -8.170 0.672 1.00 0.00 H new ATOM 417 N ALA A 29 -6.758 -7.459 5.151 1.00 0.00 N ATOM 418 CA ALA A 29 -6.546 -8.126 6.428 1.00 0.00 C ATOM 419 C ALA A 29 -7.669 -9.116 6.701 1.00 0.00 C ATOM 420 O ALA A 29 -7.428 -10.244 7.130 1.00 0.00 O ATOM 421 CB ALA A 29 -6.446 -7.106 7.553 1.00 0.00 C ATOM 0 H ALA A 29 -6.821 -6.443 5.210 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.606 -8.675 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.288 -7.623 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.609 -6.434 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.370 -6.529 7.604 1.00 0.00 H new ATOM 427 N MET A 30 -8.900 -8.685 6.437 1.00 0.00 N ATOM 428 CA MET A 30 -10.065 -9.540 6.642 1.00 0.00 C ATOM 429 C MET A 30 -9.893 -10.874 5.917 1.00 0.00 C ATOM 430 O MET A 30 -10.478 -11.885 6.304 1.00 0.00 O ATOM 431 CB MET A 30 -11.333 -8.837 6.150 1.00 0.00 C ATOM 432 CG MET A 30 -11.964 -7.923 7.188 1.00 0.00 C ATOM 433 SD MET A 30 -13.695 -7.566 6.838 1.00 0.00 S ATOM 434 CE MET A 30 -14.422 -7.797 8.458 1.00 0.00 C ATOM 0 H MET A 30 -9.116 -7.753 6.082 1.00 0.00 H new ATOM 0 HA MET A 30 -10.159 -9.736 7.710 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.093 -8.253 5.262 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.062 -9.589 5.849 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.884 -8.387 8.171 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.406 -6.988 7.230 1.00 0.00 H new ATOM 0 HE1 MET A 30 -15.495 -7.611 8.405 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.247 -8.819 8.793 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.968 -7.101 9.163 1.00 0.00 H new ATOM 444 N ASN A 31 -9.078 -10.866 4.864 1.00 0.00 N ATOM 445 CA ASN A 31 -8.816 -12.069 4.081 1.00 0.00 C ATOM 446 C ASN A 31 -7.611 -11.858 3.167 1.00 0.00 C ATOM 447 O ASN A 31 -7.757 -11.692 1.956 1.00 0.00 O ATOM 448 CB ASN A 31 -10.047 -12.445 3.253 1.00 0.00 C ATOM 449 CG ASN A 31 -10.819 -13.601 3.858 1.00 0.00 C ATOM 450 OD1 ASN A 31 -10.352 -14.253 4.792 1.00 0.00 O ATOM 451 ND2 ASN A 31 -12.007 -13.863 3.326 1.00 0.00 N ATOM 0 H ASN A 31 -8.587 -10.036 4.533 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.594 -12.886 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.703 -11.579 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.735 -12.709 2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.571 -14.630 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.356 -13.297 2.553 1.00 0.00 H new ATOM 458 N LEU A 32 -6.421 -11.855 3.761 1.00 0.00 N ATOM 459 CA LEU A 32 -5.187 -11.654 3.008 1.00 0.00 C ATOM 460 C LEU A 32 -4.900 -12.833 2.079 1.00 0.00 C ATOM 461 O LEU A 32 -4.108 -12.715 1.144 1.00 0.00 O ATOM 462 CB LEU A 32 -4.010 -11.439 3.964 1.00 0.00 C ATOM 463 CG LEU A 32 -3.014 -10.360 3.529 1.00 0.00 C ATOM 464 CD1 LEU A 32 -3.470 -8.987 3.992 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.625 -10.666 4.066 1.00 0.00 C ATOM 0 H LEU A 32 -6.285 -11.990 4.763 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.315 -10.764 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.402 -11.176 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.475 -12.382 4.076 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.971 -10.358 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.747 -8.236 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.444 -8.761 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.546 -8.976 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.932 -9.888 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.655 -10.700 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.291 -11.630 3.682 1.00 0.00 H new ATOM 477 N ARG A 33 -5.543 -13.967 2.340 1.00 0.00 N ATOM 478 CA ARG A 33 -5.346 -15.160 1.523 1.00 0.00 C ATOM 479 C ARG A 33 -6.277 -15.171 0.308 1.00 0.00 C ATOM 480 O ARG A 33 -6.413 -16.194 -0.364 1.00 0.00 O ATOM 481 CB ARG A 33 -5.570 -16.421 2.364 1.00 0.00 C ATOM 482 CG ARG A 33 -4.293 -17.193 2.651 1.00 0.00 C ATOM 483 CD ARG A 33 -3.421 -16.470 3.666 1.00 0.00 C ATOM 484 NE ARG A 33 -2.171 -17.183 3.920 1.00 0.00 N ATOM 485 CZ ARG A 33 -1.404 -16.975 4.988 1.00 0.00 C ATOM 486 NH1 ARG A 33 -1.757 -16.080 5.904 1.00 0.00 N ATOM 487 NH2 ARG A 33 -0.282 -17.665 5.143 1.00 0.00 N ATOM 0 H ARG A 33 -6.203 -14.085 3.109 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.319 -15.145 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.035 -16.140 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.271 -17.074 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.543 -18.185 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.735 -17.333 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.199 -15.466 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.970 -16.357 4.601 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.869 -17.880 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.620 -15.548 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.165 -15.925 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.007 -18.355 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.306 -17.506 5.961 1.00 0.00 H new ATOM 501 N ALA A 34 -6.913 -14.036 0.027 1.00 0.00 N ATOM 502 CA ALA A 34 -7.823 -13.936 -1.109 1.00 0.00 C ATOM 503 C ALA A 34 -8.297 -12.501 -1.313 1.00 0.00 C ATOM 504 O ALA A 34 -8.709 -11.832 -0.365 1.00 0.00 O ATOM 505 CB ALA A 34 -9.012 -14.866 -0.914 1.00 0.00 C ATOM 0 H ALA A 34 -6.815 -13.177 0.568 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.280 -14.239 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.684 -14.782 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.660 -15.894 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.545 -14.589 -0.005 1.00 0.00 H new ATOM 511 N ALA A 35 -8.239 -12.036 -2.558 1.00 0.00 N ATOM 512 CA ALA A 35 -8.666 -10.680 -2.890 1.00 0.00 C ATOM 513 C ALA A 35 -10.184 -10.553 -2.822 1.00 0.00 C ATOM 514 O ALA A 35 -10.886 -11.529 -2.559 1.00 0.00 O ATOM 515 CB ALA A 35 -8.162 -10.292 -4.272 1.00 0.00 C ATOM 0 H ALA A 35 -7.901 -12.578 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.237 -9.998 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.488 -9.279 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.073 -10.336 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.564 -10.983 -5.013 1.00 0.00 H new ATOM 521 N LEU A 36 -10.687 -9.344 -3.056 1.00 0.00 N ATOM 522 CA LEU A 36 -12.124 -9.099 -3.017 1.00 0.00 C ATOM 523 C LEU A 36 -12.745 -9.273 -4.397 1.00 0.00 C ATOM 524 O LEU A 36 -13.520 -10.201 -4.629 1.00 0.00 O ATOM 525 CB LEU A 36 -12.394 -7.686 -2.500 1.00 0.00 C ATOM 526 CG LEU A 36 -11.643 -7.307 -1.223 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.296 -6.683 -1.562 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.477 -6.353 -0.379 1.00 0.00 C ATOM 0 H LEU A 36 -10.123 -8.522 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.578 -9.826 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.132 -6.974 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.464 -7.581 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.466 -8.214 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.775 -6.419 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.696 -7.397 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.451 -5.786 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.928 -6.093 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.684 -5.448 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.417 -6.834 -0.108 1.00 0.00 H new ATOM 540 N THR A 37 -12.391 -8.380 -5.313 1.00 0.00 N ATOM 541 CA THR A 37 -12.902 -8.434 -6.680 1.00 0.00 C ATOM 542 C THR A 37 -12.419 -7.232 -7.484 1.00 0.00 C ATOM 543 O THR A 37 -12.118 -6.179 -6.924 1.00 0.00 O ATOM 544 CB THR A 37 -14.434 -8.499 -6.691 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.941 -8.159 -7.969 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.088 -7.580 -5.681 1.00 0.00 C ATOM 0 H THR A 37 -11.750 -7.607 -5.135 1.00 0.00 H new ATOM 0 HA THR A 37 -12.517 -9.341 -7.145 1.00 0.00 H new ATOM 0 HB THR A 37 -14.676 -9.528 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.920 -8.208 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.171 -7.680 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.759 -7.849 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.805 -6.548 -5.891 1.00 0.00 H new ATOM 554 N SER A 38 -12.339 -7.400 -8.802 1.00 0.00 N ATOM 555 CA SER A 38 -11.886 -6.333 -9.691 1.00 0.00 C ATOM 556 C SER A 38 -12.553 -5.004 -9.348 1.00 0.00 C ATOM 557 O SER A 38 -11.933 -3.945 -9.436 1.00 0.00 O ATOM 558 CB SER A 38 -12.176 -6.699 -11.148 1.00 0.00 C ATOM 559 OG SER A 38 -11.290 -6.029 -12.029 1.00 0.00 O ATOM 0 H SER A 38 -12.583 -8.268 -9.279 1.00 0.00 H new ATOM 0 HA SER A 38 -10.811 -6.220 -9.554 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.080 -7.777 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.205 -6.437 -11.394 1.00 0.00 H new ATOM 0 HG SER A 38 -11.495 -6.281 -12.954 1.00 0.00 H new ATOM 565 N PHE A 39 -13.820 -5.070 -8.957 1.00 0.00 N ATOM 566 CA PHE A 39 -14.572 -3.874 -8.600 1.00 0.00 C ATOM 567 C PHE A 39 -14.150 -3.347 -7.232 1.00 0.00 C ATOM 568 O PHE A 39 -14.138 -2.139 -6.999 1.00 0.00 O ATOM 569 CB PHE A 39 -16.073 -4.168 -8.604 1.00 0.00 C ATOM 570 CG PHE A 39 -16.906 -3.028 -9.119 1.00 0.00 C ATOM 571 CD1 PHE A 39 -17.099 -1.893 -8.349 1.00 0.00 C ATOM 572 CD2 PHE A 39 -17.493 -3.093 -10.373 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.865 -0.843 -8.819 1.00 0.00 C ATOM 574 CE2 PHE A 39 -18.259 -2.046 -10.848 1.00 0.00 C ATOM 575 CZ PHE A 39 -18.444 -0.918 -10.071 1.00 0.00 C ATOM 0 H PHE A 39 -14.348 -5.939 -8.879 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.356 -3.108 -9.345 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -16.261 -5.050 -9.216 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -16.390 -4.410 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -16.646 -1.828 -7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.350 -3.971 -10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -18.011 0.035 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.713 -2.109 -11.826 1.00 0.00 H new ATOM 0 HZ PHE A 39 -19.040 -0.097 -10.442 1.00 0.00 H new ATOM 585 N GLN A 40 -13.808 -4.262 -6.328 1.00 0.00 N ATOM 586 CA GLN A 40 -13.391 -3.882 -4.983 1.00 0.00 C ATOM 587 C GLN A 40 -12.028 -3.200 -5.006 1.00 0.00 C ATOM 588 O GLN A 40 -11.889 -2.055 -4.577 1.00 0.00 O ATOM 589 CB GLN A 40 -13.349 -5.105 -4.069 1.00 0.00 C ATOM 590 CG GLN A 40 -14.434 -5.103 -3.005 1.00 0.00 C ATOM 591 CD GLN A 40 -15.761 -5.625 -3.521 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.136 -6.768 -3.260 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.480 -4.786 -4.259 1.00 0.00 N ATOM 0 H GLN A 40 -13.812 -5.267 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.123 -3.175 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.447 -6.006 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.374 -5.152 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.111 -5.714 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.568 -4.088 -2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.130 -3.847 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.382 -5.081 -4.634 1.00 0.00 H new ATOM 602 N VAL A 41 -11.023 -3.911 -5.509 1.00 0.00 N ATOM 603 CA VAL A 41 -9.673 -3.370 -5.587 1.00 0.00 C ATOM 604 C VAL A 41 -9.658 -2.060 -6.368 1.00 0.00 C ATOM 605 O VAL A 41 -8.972 -1.108 -5.993 1.00 0.00 O ATOM 606 CB VAL A 41 -8.702 -4.366 -6.250 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.274 -3.844 -6.193 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.804 -5.732 -5.584 1.00 0.00 C ATOM 0 H VAL A 41 -11.119 -4.861 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.343 -3.187 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.982 -4.473 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.605 -4.562 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.214 -2.891 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.979 -3.704 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.112 -6.424 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.552 -5.641 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.822 -6.110 -5.683 1.00 0.00 H new ATOM 618 N ALA A 42 -10.424 -2.018 -7.451 1.00 0.00 N ATOM 619 CA ALA A 42 -10.507 -0.825 -8.283 1.00 0.00 C ATOM 620 C ALA A 42 -11.142 0.328 -7.516 1.00 0.00 C ATOM 621 O ALA A 42 -10.675 1.465 -7.587 1.00 0.00 O ATOM 622 CB ALA A 42 -11.298 -1.123 -9.548 1.00 0.00 C ATOM 0 H ALA A 42 -10.997 -2.798 -7.774 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.496 -0.529 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.354 -0.224 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.803 -1.916 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.305 -1.443 -9.281 1.00 0.00 H new ATOM 628 N GLN A 43 -12.206 0.028 -6.776 1.00 0.00 N ATOM 629 CA GLN A 43 -12.899 1.041 -5.989 1.00 0.00 C ATOM 630 C GLN A 43 -11.934 1.710 -5.017 1.00 0.00 C ATOM 631 O GLN A 43 -11.927 2.933 -4.873 1.00 0.00 O ATOM 632 CB GLN A 43 -14.065 0.413 -5.221 1.00 0.00 C ATOM 633 CG GLN A 43 -15.393 0.498 -5.956 1.00 0.00 C ATOM 634 CD GLN A 43 -16.514 -0.209 -5.218 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.363 -1.352 -4.785 1.00 0.00 O ATOM 636 NE2 GLN A 43 -17.646 0.469 -5.073 1.00 0.00 N ATOM 0 H GLN A 43 -12.606 -0.908 -6.706 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.292 1.797 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.836 -0.634 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.162 0.908 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.660 1.545 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.284 0.061 -6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.726 1.414 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.436 0.045 -4.586 1.00 0.00 H new ATOM 645 N TYR A 44 -11.113 0.898 -4.361 1.00 0.00 N ATOM 646 CA TYR A 44 -10.132 1.406 -3.411 1.00 0.00 C ATOM 647 C TYR A 44 -9.020 2.145 -4.144 1.00 0.00 C ATOM 648 O TYR A 44 -8.483 3.138 -3.648 1.00 0.00 O ATOM 649 CB TYR A 44 -9.547 0.254 -2.590 1.00 0.00 C ATOM 650 CG TYR A 44 -8.588 0.699 -1.510 1.00 0.00 C ATOM 651 CD1 TYR A 44 -8.956 1.664 -0.581 1.00 0.00 C ATOM 652 CD2 TYR A 44 -7.315 0.151 -1.418 1.00 0.00 C ATOM 653 CE1 TYR A 44 -8.081 2.071 0.409 1.00 0.00 C ATOM 654 CE2 TYR A 44 -6.435 0.552 -0.431 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.822 1.512 0.480 1.00 0.00 C ATOM 656 OH TYR A 44 -5.949 1.914 1.464 1.00 0.00 O ATOM 0 H TYR A 44 -11.108 -0.116 -4.470 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.629 2.103 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.363 -0.303 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.030 -0.432 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.941 2.103 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.008 -0.601 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.382 2.823 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.449 0.116 -0.373 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.144 1.356 1.435 1.00 0.00 H new ATOM 666 N ARG A 45 -8.683 1.656 -5.334 1.00 0.00 N ATOM 667 CA ARG A 45 -7.642 2.269 -6.148 1.00 0.00 C ATOM 668 C ARG A 45 -8.073 3.653 -6.623 1.00 0.00 C ATOM 669 O ARG A 45 -7.256 4.565 -6.734 1.00 0.00 O ATOM 670 CB ARG A 45 -7.317 1.380 -7.350 1.00 0.00 C ATOM 671 CG ARG A 45 -6.114 0.474 -7.131 1.00 0.00 C ATOM 672 CD ARG A 45 -6.351 -0.916 -7.698 1.00 0.00 C ATOM 673 NE ARG A 45 -6.003 -0.997 -9.115 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.432 -1.957 -9.931 1.00 0.00 C ATOM 675 NH1 ARG A 45 -7.225 -2.919 -9.475 1.00 0.00 N ATOM 676 NH2 ARG A 45 -6.068 -1.955 -11.206 1.00 0.00 N ATOM 0 H ARG A 45 -9.118 0.835 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.748 2.377 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.187 0.765 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.132 2.012 -8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.235 0.915 -7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.902 0.401 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.761 -1.641 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.398 -1.187 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.395 -0.275 -9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.508 -2.925 -8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.551 -3.652 -10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.459 -1.218 -11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.397 -2.691 -11.831 1.00 0.00 H new ATOM 690 N ASN A 46 -9.364 3.798 -6.903 1.00 0.00 N ATOM 691 CA ASN A 46 -9.909 5.069 -7.365 1.00 0.00 C ATOM 692 C ASN A 46 -9.787 6.136 -6.283 1.00 0.00 C ATOM 693 O ASN A 46 -9.578 7.312 -6.580 1.00 0.00 O ATOM 694 CB ASN A 46 -11.374 4.903 -7.771 1.00 0.00 C ATOM 695 CG ASN A 46 -11.532 4.559 -9.239 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.860 3.667 -9.756 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.426 5.268 -9.920 1.00 0.00 N ATOM 0 H ASN A 46 -10.053 3.050 -6.818 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.334 5.389 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.829 4.119 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.914 5.825 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.577 5.082 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.962 5.999 -9.451 1.00 0.00 H new ATOM 704 N ILE A 47 -9.916 5.717 -5.028 1.00 0.00 N ATOM 705 CA ILE A 47 -9.817 6.641 -3.904 1.00 0.00 C ATOM 706 C ILE A 47 -8.441 7.296 -3.860 1.00 0.00 C ATOM 707 O ILE A 47 -8.320 8.517 -3.962 1.00 0.00 O ATOM 708 CB ILE A 47 -10.085 5.927 -2.562 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.431 5.199 -2.606 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.055 6.923 -1.409 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.590 4.157 -1.521 1.00 0.00 C ATOM 0 H ILE A 47 -10.089 4.747 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.578 7.408 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.297 5.191 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.234 5.931 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.544 4.720 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.246 6.400 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.076 7.400 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.822 7.682 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.567 3.682 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.809 3.404 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.509 4.634 -0.544 1.00 0.00 H new ATOM 723 N LEU A 48 -7.403 6.478 -3.711 1.00 0.00 N ATOM 724 CA LEU A 48 -6.037 6.986 -3.658 1.00 0.00 C ATOM 725 C LEU A 48 -5.667 7.671 -4.968 1.00 0.00 C ATOM 726 O LEU A 48 -5.162 8.795 -4.974 1.00 0.00 O ATOM 727 CB LEU A 48 -5.052 5.849 -3.368 1.00 0.00 C ATOM 728 CG LEU A 48 -5.320 5.044 -2.090 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.016 4.511 -1.521 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.045 5.888 -1.050 1.00 0.00 C ATOM 0 H LEU A 48 -7.482 5.465 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.979 7.717 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.058 5.163 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.048 6.270 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.963 4.203 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.220 3.942 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.536 3.864 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.355 5.344 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.221 5.291 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.434 6.754 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.999 6.224 -1.455 1.00 0.00 H new ATOM 742 N ASN A 49 -5.923 6.987 -6.080 1.00 0.00 N ATOM 743 CA ASN A 49 -5.620 7.530 -7.399 1.00 0.00 C ATOM 744 C ASN A 49 -6.276 8.895 -7.589 1.00 0.00 C ATOM 745 O ASN A 49 -5.744 9.759 -8.285 1.00 0.00 O ATOM 746 CB ASN A 49 -6.090 6.564 -8.492 1.00 0.00 C ATOM 747 CG ASN A 49 -5.943 7.149 -9.883 1.00 0.00 C ATOM 748 OD1 ASN A 49 -5.016 6.811 -10.620 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.863 8.034 -10.248 1.00 0.00 N ATOM 0 H ASN A 49 -6.339 6.056 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.540 7.654 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.516 5.639 -8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.134 6.304 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.819 8.464 -11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.614 8.284 -9.604 1.00 0.00 H new ATOM 756 N ALA A 50 -7.436 9.081 -6.968 1.00 0.00 N ATOM 757 CA ALA A 50 -8.161 10.340 -7.072 1.00 0.00 C ATOM 758 C ALA A 50 -7.431 11.460 -6.343 1.00 0.00 C ATOM 759 O ALA A 50 -7.552 12.628 -6.704 1.00 0.00 O ATOM 760 CB ALA A 50 -9.573 10.190 -6.536 1.00 0.00 C ATOM 0 H ALA A 50 -7.893 8.377 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.216 10.606 -8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.098 11.141 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.102 9.430 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.535 9.891 -5.489 1.00 0.00 H new ATOM 766 N SER A 51 -6.676 11.098 -5.313 1.00 0.00 N ATOM 767 CA SER A 51 -5.928 12.075 -4.532 1.00 0.00 C ATOM 768 C SER A 51 -4.789 12.676 -5.352 1.00 0.00 C ATOM 769 O SER A 51 -4.430 13.841 -5.179 1.00 0.00 O ATOM 770 CB SER A 51 -5.370 11.422 -3.264 1.00 0.00 C ATOM 771 OG SER A 51 -4.888 12.398 -2.357 1.00 0.00 O ATOM 0 H SER A 51 -6.566 10.134 -4.999 1.00 0.00 H new ATOM 0 HA SER A 51 -6.610 12.878 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.148 10.828 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.564 10.737 -3.528 1.00 0.00 H new ATOM 0 HG SER A 51 -4.088 12.824 -2.730 1.00 0.00 H new ATOM 777 N LEU A 52 -4.216 11.864 -6.233 1.00 0.00 N ATOM 778 CA LEU A 52 -3.101 12.298 -7.075 1.00 0.00 C ATOM 779 C LEU A 52 -3.519 13.407 -8.040 1.00 0.00 C ATOM 780 O LEU A 52 -2.919 14.481 -8.058 1.00 0.00 O ATOM 781 CB LEU A 52 -2.526 11.113 -7.864 1.00 0.00 C ATOM 782 CG LEU A 52 -2.729 9.732 -7.228 1.00 0.00 C ATOM 783 CD1 LEU A 52 -1.950 8.672 -7.988 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.306 9.744 -5.767 1.00 0.00 C ATOM 0 H LEU A 52 -4.505 10.898 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.333 12.697 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.978 11.106 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.457 11.276 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.790 9.490 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.107 7.700 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.295 8.638 -9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.888 8.917 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.459 8.755 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.252 10.012 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.904 10.474 -5.221 1.00 0.00 H new ATOM 796 N GLN A 53 -4.538 13.137 -8.850 1.00 0.00 N ATOM 797 CA GLN A 53 -5.018 14.111 -9.826 1.00 0.00 C ATOM 798 C GLN A 53 -5.397 15.430 -9.161 1.00 0.00 C ATOM 799 O GLN A 53 -5.233 16.500 -9.747 1.00 0.00 O ATOM 800 CB GLN A 53 -6.217 13.547 -10.591 1.00 0.00 C ATOM 801 CG GLN A 53 -7.440 13.310 -9.729 1.00 0.00 C ATOM 802 CD GLN A 53 -8.123 12.001 -10.055 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.340 11.946 -10.235 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.336 10.933 -10.130 1.00 0.00 N ATOM 0 H GLN A 53 -5.047 12.253 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.205 14.308 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.479 14.235 -11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.927 12.606 -11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.149 13.314 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.145 14.130 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.333 11.027 -9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.735 10.019 -10.344 1.00 0.00 H new ATOM 813 N VAL A 54 -5.904 15.347 -7.939 1.00 0.00 N ATOM 814 CA VAL A 54 -6.305 16.537 -7.198 1.00 0.00 C ATOM 815 C VAL A 54 -5.187 17.029 -6.282 1.00 0.00 C ATOM 816 O VAL A 54 -5.437 17.739 -5.308 1.00 0.00 O ATOM 817 CB VAL A 54 -7.567 16.278 -6.354 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.793 16.171 -7.247 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.402 15.024 -5.508 1.00 0.00 C ATOM 0 H VAL A 54 -6.048 14.470 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.523 17.305 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.708 17.123 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.675 15.988 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.922 17.101 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.661 15.347 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.305 14.860 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.232 14.166 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.550 15.146 -4.839 1.00 0.00 H new ATOM 829 N ASP A 55 -3.950 16.653 -6.602 1.00 0.00 N ATOM 830 CA ASP A 55 -2.799 17.062 -5.807 1.00 0.00 C ATOM 831 C ASP A 55 -2.217 18.371 -6.332 1.00 0.00 C ATOM 832 O ASP A 55 -2.479 18.766 -7.468 1.00 0.00 O ATOM 833 CB ASP A 55 -1.727 15.972 -5.821 1.00 0.00 C ATOM 834 CG ASP A 55 -0.583 16.273 -4.873 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.824 16.940 -3.845 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.555 15.843 -5.160 1.00 0.00 O ATOM 0 H ASP A 55 -3.722 16.067 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.133 17.217 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.179 15.018 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.337 15.863 -6.833 1.00 0.00 H new ATOM 841 N ARG A 56 -1.427 19.040 -5.498 1.00 0.00 N ATOM 842 CA ARG A 56 -0.809 20.304 -5.879 1.00 0.00 C ATOM 843 C ARG A 56 0.419 20.071 -6.754 1.00 0.00 C ATOM 844 O ARG A 56 0.739 20.882 -7.622 1.00 0.00 O ATOM 845 CB ARG A 56 -0.419 21.103 -4.634 1.00 0.00 C ATOM 846 CG ARG A 56 -1.600 21.757 -3.935 1.00 0.00 C ATOM 847 CD ARG A 56 -2.351 20.763 -3.064 1.00 0.00 C ATOM 848 NE ARG A 56 -3.536 21.359 -2.452 1.00 0.00 N ATOM 849 CZ ARG A 56 -4.535 20.653 -1.928 1.00 0.00 C ATOM 850 NH1 ARG A 56 -4.498 19.326 -1.942 1.00 0.00 N ATOM 851 NH2 ARG A 56 -5.575 21.274 -1.389 1.00 0.00 N ATOM 0 H ARG A 56 -1.200 18.727 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.538 20.875 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.087 20.441 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.297 21.874 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.248 22.586 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.278 22.176 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.647 19.904 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.688 20.391 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.602 22.377 -2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.701 18.842 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.267 18.790 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.610 22.293 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.340 20.732 -0.988 1.00 0.00 H new ATOM 865 N ASP A 57 1.103 18.955 -6.519 1.00 0.00 N ATOM 866 CA ASP A 57 2.296 18.615 -7.286 1.00 0.00 C ATOM 867 C ASP A 57 1.938 17.756 -8.494 1.00 0.00 C ATOM 868 O ASP A 57 1.737 16.548 -8.373 1.00 0.00 O ATOM 869 CB ASP A 57 3.303 17.877 -6.401 1.00 0.00 C ATOM 870 CG ASP A 57 3.636 18.647 -5.139 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.715 18.885 -4.328 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.816 19.013 -4.960 1.00 0.00 O ATOM 0 H ASP A 57 0.852 18.272 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 57 2.746 19.542 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.899 16.901 -6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.218 17.699 -6.967 1.00 0.00 H new ATOM 877 N ALA A 58 1.860 18.389 -9.661 1.00 0.00 N ATOM 878 CA ALA A 58 1.526 17.682 -10.892 1.00 0.00 C ATOM 879 C ALA A 58 2.627 16.702 -11.278 1.00 0.00 C ATOM 880 O ALA A 58 2.352 15.602 -11.761 1.00 0.00 O ATOM 881 CB ALA A 58 1.282 18.675 -12.019 1.00 0.00 C ATOM 0 H ALA A 58 2.023 19.389 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 58 0.613 17.112 -10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.034 18.135 -12.933 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.456 19.334 -11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.181 19.269 -12.182 1.00 0.00 H new ATOM 887 N ALA A 59 3.874 17.106 -11.064 1.00 0.00 N ATOM 888 CA ALA A 59 5.019 16.262 -11.390 1.00 0.00 C ATOM 889 C ALA A 59 5.014 14.986 -10.556 1.00 0.00 C ATOM 890 O ALA A 59 5.351 13.909 -11.048 1.00 0.00 O ATOM 891 CB ALA A 59 6.315 17.029 -11.178 1.00 0.00 C ATOM 0 H ALA A 59 4.119 18.013 -10.666 1.00 0.00 H new ATOM 0 HA ALA A 59 4.945 15.979 -12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.162 16.388 -11.425 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.326 17.909 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.387 17.340 -10.136 1.00 0.00 H new ATOM 897 N ARG A 60 4.632 15.114 -9.290 1.00 0.00 N ATOM 898 CA ARG A 60 4.584 13.971 -8.386 1.00 0.00 C ATOM 899 C ARG A 60 3.431 13.040 -8.746 1.00 0.00 C ATOM 900 O ARG A 60 3.561 11.819 -8.671 1.00 0.00 O ATOM 901 CB ARG A 60 4.441 14.443 -6.938 1.00 0.00 C ATOM 902 CG ARG A 60 5.133 13.538 -5.932 1.00 0.00 C ATOM 903 CD ARG A 60 5.086 14.125 -4.530 1.00 0.00 C ATOM 904 NE ARG A 60 6.279 13.790 -3.756 1.00 0.00 N ATOM 905 CZ ARG A 60 7.448 14.413 -3.887 1.00 0.00 C ATOM 906 NH1 ARG A 60 7.586 15.403 -4.761 1.00 0.00 N ATOM 907 NH2 ARG A 60 8.482 14.045 -3.143 1.00 0.00 N ATOM 0 H ARG A 60 4.351 15.998 -8.867 1.00 0.00 H new ATOM 0 HA ARG A 60 5.518 13.419 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.850 15.449 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.382 14.507 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.655 12.558 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.171 13.387 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.988 15.209 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.202 13.755 -4.011 1.00 0.00 H new ATOM 0 HE ARG A 60 6.212 13.034 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.794 15.690 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.484 15.877 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.382 13.285 -2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.378 14.522 -3.243 1.00 0.00 H new ATOM 921 N SER A 61 2.303 13.626 -9.137 1.00 0.00 N ATOM 922 CA SER A 61 1.123 12.851 -9.509 1.00 0.00 C ATOM 923 C SER A 61 1.470 11.780 -10.539 1.00 0.00 C ATOM 924 O SER A 61 1.194 10.599 -10.337 1.00 0.00 O ATOM 925 CB SER A 61 0.038 13.774 -10.065 1.00 0.00 C ATOM 926 OG SER A 61 -1.088 13.033 -10.502 1.00 0.00 O ATOM 0 H SER A 61 2.181 14.636 -9.205 1.00 0.00 H new ATOM 0 HA SER A 61 0.750 12.356 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.267 14.486 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.440 14.354 -10.896 1.00 0.00 H new ATOM 0 HG SER A 61 -1.768 13.646 -10.852 1.00 0.00 H new ATOM 932 N ARG A 62 2.078 12.202 -11.644 1.00 0.00 N ATOM 933 CA ARG A 62 2.464 11.281 -12.709 1.00 0.00 C ATOM 934 C ARG A 62 3.257 10.098 -12.158 1.00 0.00 C ATOM 935 O ARG A 62 3.158 8.981 -12.667 1.00 0.00 O ATOM 936 CB ARG A 62 3.288 12.015 -13.770 1.00 0.00 C ATOM 937 CG ARG A 62 2.767 11.821 -15.186 1.00 0.00 C ATOM 938 CD ARG A 62 3.568 12.633 -16.192 1.00 0.00 C ATOM 939 NE ARG A 62 2.705 13.431 -17.059 1.00 0.00 N ATOM 940 CZ ARG A 62 2.145 14.582 -16.691 1.00 0.00 C ATOM 941 NH1 ARG A 62 2.354 15.071 -15.475 1.00 0.00 N ATOM 942 NH2 ARG A 62 1.375 15.246 -17.542 1.00 0.00 N ATOM 0 H ARG A 62 2.314 13.177 -11.826 1.00 0.00 H new ATOM 0 HA ARG A 62 1.552 10.895 -13.165 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.298 13.080 -13.538 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.320 11.668 -13.721 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.814 10.765 -15.450 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.718 12.115 -15.232 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.257 13.290 -15.662 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.173 11.961 -16.801 1.00 0.00 H new ATOM 0 HE ARG A 62 2.520 13.087 -18.001 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.946 14.565 -14.817 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.922 15.953 -15.199 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.212 14.875 -18.478 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.946 16.128 -17.261 1.00 0.00 H new ATOM 956 N ARG A 63 4.046 10.352 -11.120 1.00 0.00 N ATOM 957 CA ARG A 63 4.860 9.309 -10.504 1.00 0.00 C ATOM 958 C ARG A 63 3.993 8.306 -9.748 1.00 0.00 C ATOM 959 O ARG A 63 4.099 7.098 -9.960 1.00 0.00 O ATOM 960 CB ARG A 63 5.885 9.931 -9.553 1.00 0.00 C ATOM 961 CG ARG A 63 6.869 10.860 -10.243 1.00 0.00 C ATOM 962 CD ARG A 63 7.977 10.085 -10.939 1.00 0.00 C ATOM 963 NE ARG A 63 7.872 10.167 -12.393 1.00 0.00 N ATOM 964 CZ ARG A 63 8.819 9.749 -13.230 1.00 0.00 C ATOM 965 NH1 ARG A 63 9.942 9.218 -12.760 1.00 0.00 N ATOM 966 NH2 ARG A 63 8.644 9.860 -14.540 1.00 0.00 N ATOM 0 H ARG A 63 4.140 11.271 -10.687 1.00 0.00 H new ATOM 0 HA ARG A 63 5.382 8.778 -11.300 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.358 10.485 -8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.438 9.134 -9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.340 11.474 -10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.304 11.539 -9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.945 10.474 -10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.937 9.040 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 63 7.023 10.568 -12.791 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.082 9.129 -11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.665 8.899 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.783 10.266 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.370 9.539 -15.181 1.00 0.00 H new ATOM 980 N LEU A 64 3.138 8.812 -8.866 1.00 0.00 N ATOM 981 CA LEU A 64 2.256 7.953 -8.077 1.00 0.00 C ATOM 982 C LEU A 64 1.179 7.327 -8.957 1.00 0.00 C ATOM 983 O LEU A 64 0.808 6.168 -8.772 1.00 0.00 O ATOM 984 CB LEU A 64 1.594 8.738 -6.936 1.00 0.00 C ATOM 985 CG LEU A 64 2.330 10.001 -6.478 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.701 10.551 -5.208 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.809 9.713 -6.262 1.00 0.00 C ATOM 0 H LEU A 64 3.035 9.809 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 64 2.870 7.161 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.589 9.020 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.485 8.073 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 64 2.241 10.754 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.236 11.448 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.656 10.798 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.759 9.801 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.313 10.623 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.922 8.943 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.252 9.366 -7.195 1.00 0.00 H new ATOM 999 N MET A 65 0.679 8.104 -9.910 1.00 0.00 N ATOM 1000 CA MET A 65 -0.361 7.633 -10.817 1.00 0.00 C ATOM 1001 C MET A 65 0.078 6.367 -11.546 1.00 0.00 C ATOM 1002 O MET A 65 -0.740 5.499 -11.852 1.00 0.00 O ATOM 1003 CB MET A 65 -0.719 8.729 -11.822 1.00 0.00 C ATOM 1004 CG MET A 65 -1.452 9.904 -11.191 1.00 0.00 C ATOM 1005 SD MET A 65 -3.001 10.292 -12.025 1.00 0.00 S ATOM 1006 CE MET A 65 -4.183 9.769 -10.786 1.00 0.00 C ATOM 0 H MET A 65 0.978 9.065 -10.075 1.00 0.00 H new ATOM 0 HA MET A 65 -1.245 7.391 -10.226 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.193 9.090 -12.296 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.340 8.302 -12.610 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.655 9.679 -10.144 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.806 10.781 -11.209 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.129 9.520 -11.267 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.799 8.892 -10.264 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.342 10.576 -10.071 1.00 0.00 H new ATOM 1016 N ALA A 66 1.377 6.257 -11.807 1.00 0.00 N ATOM 1017 CA ALA A 66 1.918 5.087 -12.482 1.00 0.00 C ATOM 1018 C ALA A 66 2.090 3.949 -11.490 1.00 0.00 C ATOM 1019 O ALA A 66 1.774 2.797 -11.785 1.00 0.00 O ATOM 1020 CB ALA A 66 3.241 5.422 -13.153 1.00 0.00 C ATOM 0 H ALA A 66 2.071 6.963 -11.561 1.00 0.00 H new ATOM 0 HA ALA A 66 1.218 4.772 -13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.630 4.535 -13.653 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.087 6.213 -13.887 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.955 5.758 -12.401 1.00 0.00 H new ATOM 1026 N LYS A 67 2.573 4.288 -10.299 1.00 0.00 N ATOM 1027 CA LYS A 67 2.763 3.298 -9.251 1.00 0.00 C ATOM 1028 C LYS A 67 1.415 2.722 -8.833 1.00 0.00 C ATOM 1029 O LYS A 67 1.322 1.580 -8.384 1.00 0.00 O ATOM 1030 CB LYS A 67 3.469 3.918 -8.042 1.00 0.00 C ATOM 1031 CG LYS A 67 4.587 4.881 -8.416 1.00 0.00 C ATOM 1032 CD LYS A 67 5.903 4.493 -7.759 1.00 0.00 C ATOM 1033 CE LYS A 67 6.186 5.342 -6.531 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.532 5.063 -5.959 1.00 0.00 N ATOM 0 H LYS A 67 2.838 5.238 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 67 3.391 2.496 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.734 4.446 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.880 3.120 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.710 4.894 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.313 5.892 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.873 3.441 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.716 4.607 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.116 6.397 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.424 5.152 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.685 5.663 -5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.591 4.062 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.261 5.269 -6.671 1.00 0.00 H new ATOM 1048 N LEU A 68 0.366 3.525 -9.005 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.988 3.110 -8.670 1.00 0.00 C ATOM 1050 C LEU A 68 -1.501 2.119 -9.708 1.00 0.00 C ATOM 1051 O LEU A 68 -2.294 1.230 -9.398 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.909 4.331 -8.613 1.00 0.00 C ATOM 1053 CG LEU A 68 -3.133 4.186 -7.709 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.960 2.977 -8.116 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -2.711 4.085 -6.253 1.00 0.00 C ATOM 0 H LEU A 68 0.433 4.472 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.979 2.626 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.327 5.188 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.249 4.556 -9.624 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.753 5.075 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.827 2.891 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.295 3.096 -9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.352 2.076 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.595 3.982 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.068 3.215 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.166 4.985 -5.969 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.035 2.282 -10.943 1.00 0.00 N ATOM 1068 CA ALA A 69 -1.436 1.410 -12.038 1.00 0.00 C ATOM 1069 C ALA A 69 -1.166 -0.057 -11.708 1.00 0.00 C ATOM 1070 O ALA A 69 -1.821 -0.954 -12.241 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.708 1.804 -13.314 1.00 0.00 C ATOM 0 H ALA A 69 -0.376 3.014 -11.209 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.509 1.528 -12.187 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.015 1.145 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.954 2.835 -13.570 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.368 1.715 -13.162 1.00 0.00 H new ATOM 1077 N ASP A 70 -0.195 -0.294 -10.830 1.00 0.00 N ATOM 1078 CA ASP A 70 0.167 -1.651 -10.433 1.00 0.00 C ATOM 1079 C ASP A 70 -0.328 -1.971 -9.021 1.00 0.00 C ATOM 1080 O ASP A 70 0.142 -2.919 -8.393 1.00 0.00 O ATOM 1081 CB ASP A 70 1.685 -1.834 -10.508 1.00 0.00 C ATOM 1082 CG ASP A 70 2.108 -2.678 -11.693 1.00 0.00 C ATOM 1083 OD1 ASP A 70 1.947 -2.214 -12.841 1.00 0.00 O ATOM 1084 OD2 ASP A 70 2.600 -3.805 -11.473 1.00 0.00 O ATOM 0 H ASP A 70 0.356 0.437 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.316 -2.342 -11.124 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.163 -0.857 -10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.038 -2.301 -9.588 1.00 0.00 H new ATOM 1089 N PHE A 71 -1.269 -1.173 -8.526 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.812 -1.376 -7.186 1.00 0.00 C ATOM 1091 C PHE A 71 -2.572 -2.698 -7.091 1.00 0.00 C ATOM 1092 O PHE A 71 -3.440 -2.988 -7.913 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.737 -0.219 -6.807 1.00 0.00 C ATOM 1094 CG PHE A 71 -3.054 -0.160 -5.340 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -4.099 -0.901 -4.811 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -2.306 0.638 -4.489 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -4.391 -0.848 -3.462 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -2.593 0.695 -3.139 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.638 -0.048 -2.626 1.00 0.00 C ATOM 0 H PHE A 71 -1.671 -0.382 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.975 -1.411 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.273 0.720 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.667 -0.309 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.692 -1.527 -5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.489 1.222 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.207 -1.431 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.001 1.319 -2.486 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.866 -0.003 -1.571 1.00 0.00 H new ATOM 1109 N ALA A 72 -2.238 -3.490 -6.074 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.886 -4.782 -5.853 1.00 0.00 C ATOM 1111 C ALA A 72 -2.459 -5.807 -6.899 1.00 0.00 C ATOM 1112 O ALA A 72 -3.270 -6.607 -7.364 1.00 0.00 O ATOM 1113 CB ALA A 72 -4.401 -4.624 -5.856 1.00 0.00 C ATOM 0 H ALA A 72 -1.520 -3.259 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.570 -5.149 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.868 -5.595 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.697 -3.938 -5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.723 -4.226 -6.818 1.00 0.00 H new ATOM 1119 N VAL A 73 -1.181 -5.782 -7.261 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.649 -6.716 -8.248 1.00 0.00 C ATOM 1121 C VAL A 73 0.227 -7.772 -7.580 1.00 0.00 C ATOM 1122 O VAL A 73 0.908 -7.495 -6.593 1.00 0.00 O ATOM 1123 CB VAL A 73 0.167 -5.986 -9.334 1.00 0.00 C ATOM 1124 CG1 VAL A 73 0.720 -6.973 -10.352 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -0.686 -4.930 -10.020 1.00 0.00 C ATOM 0 H VAL A 73 -0.495 -5.127 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.502 -7.203 -8.721 1.00 0.00 H new ATOM 0 HB VAL A 73 1.010 -5.490 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.292 -6.434 -11.108 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.369 -7.690 -9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.104 -7.503 -10.830 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.095 -4.424 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.549 -5.406 -10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.026 -4.202 -9.283 1.00 0.00 H new ATOM 1135 N GLU A 74 0.203 -8.983 -8.126 1.00 0.00 N ATOM 1136 CA GLU A 74 0.995 -10.081 -7.582 1.00 0.00 C ATOM 1137 C GLU A 74 2.484 -9.850 -7.817 1.00 0.00 C ATOM 1138 O GLU A 74 2.985 -10.043 -8.925 1.00 0.00 O ATOM 1139 CB GLU A 74 0.567 -11.408 -8.214 1.00 0.00 C ATOM 1140 CG GLU A 74 0.511 -11.367 -9.733 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.898 -11.177 -10.259 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -1.449 -10.069 -10.093 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.450 -12.136 -10.840 1.00 0.00 O ATOM 0 H GLU A 74 -0.355 -9.229 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 74 0.819 -10.124 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.262 -12.189 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.415 -11.684 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.142 -10.555 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.923 -12.294 -10.133 1.00 0.00 H new ATOM 1150 N GLN A 75 3.186 -9.438 -6.767 1.00 0.00 N ATOM 1151 CA GLN A 75 4.619 -9.183 -6.857 1.00 0.00 C ATOM 1152 C GLN A 75 5.377 -9.966 -5.790 1.00 0.00 C ATOM 1153 O GLN A 75 4.900 -10.126 -4.666 1.00 0.00 O ATOM 1154 CB GLN A 75 4.902 -7.685 -6.712 1.00 0.00 C ATOM 1155 CG GLN A 75 5.587 -7.077 -7.926 1.00 0.00 C ATOM 1156 CD GLN A 75 5.222 -5.621 -8.134 1.00 0.00 C ATOM 1157 OE1 GLN A 75 5.004 -5.178 -9.261 1.00 0.00 O ATOM 1158 NE2 GLN A 75 5.154 -4.866 -7.044 1.00 0.00 N ATOM 0 H GLN A 75 2.786 -9.273 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 75 4.963 -9.515 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.963 -7.161 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.527 -7.525 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.667 -7.164 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.315 -7.646 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.342 -5.274 -6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.913 -3.878 -7.122 1.00 0.00 H new ATOM 1167 N GLU A 76 6.558 -10.457 -6.150 1.00 0.00 N ATOM 1168 CA GLU A 76 7.382 -11.227 -5.225 1.00 0.00 C ATOM 1169 C GLU A 76 7.821 -10.372 -4.041 1.00 0.00 C ATOM 1170 O GLU A 76 8.643 -9.467 -4.186 1.00 0.00 O ATOM 1171 CB GLU A 76 8.609 -11.786 -5.947 1.00 0.00 C ATOM 1172 CG GLU A 76 9.106 -13.101 -5.370 1.00 0.00 C ATOM 1173 CD GLU A 76 10.344 -13.617 -6.078 1.00 0.00 C ATOM 1174 OE1 GLU A 76 11.422 -13.009 -5.908 1.00 0.00 O ATOM 1175 OE2 GLU A 76 10.235 -14.629 -6.802 1.00 0.00 O ATOM 0 H GLU A 76 6.967 -10.335 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 76 6.781 -12.054 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.367 -11.929 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.413 -11.052 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.326 -12.969 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.314 -13.847 -5.440 1.00 0.00 H new ATOM 1182 N VAL A 77 7.270 -10.668 -2.868 1.00 0.00 N ATOM 1183 CA VAL A 77 7.606 -9.932 -1.656 1.00 0.00 C ATOM 1184 C VAL A 77 8.696 -10.651 -0.868 1.00 0.00 C ATOM 1185 O VAL A 77 8.682 -11.875 -0.748 1.00 0.00 O ATOM 1186 CB VAL A 77 6.374 -9.745 -0.749 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.703 -8.824 0.416 1.00 0.00 C ATOM 1188 CG2 VAL A 77 5.195 -9.206 -1.547 1.00 0.00 C ATOM 0 H VAL A 77 6.588 -11.414 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 77 7.967 -8.952 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 77 6.094 -10.718 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.821 -8.704 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.512 -9.256 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.012 -7.851 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.336 -9.081 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.461 -8.243 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.943 -9.907 -2.343 1.00 0.00 H new ATOM 1198 N THR A 78 9.638 -9.883 -0.331 1.00 0.00 N ATOM 1199 CA THR A 78 10.734 -10.451 0.448 1.00 0.00 C ATOM 1200 C THR A 78 10.950 -9.658 1.729 1.00 0.00 C ATOM 1201 O THR A 78 10.073 -8.914 2.166 1.00 0.00 O ATOM 1202 CB THR A 78 12.034 -10.476 -0.373 1.00 0.00 C ATOM 1203 OG1 THR A 78 12.892 -9.408 -0.007 1.00 0.00 O ATOM 1204 CG2 THR A 78 11.812 -10.374 -1.857 1.00 0.00 C ATOM 0 H THR A 78 9.665 -8.867 -0.420 1.00 0.00 H new ATOM 0 HA THR A 78 10.463 -11.475 0.707 1.00 0.00 H new ATOM 0 HB THR A 78 12.482 -11.444 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.712 -9.448 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.773 -10.398 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.200 -11.212 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.302 -9.438 -2.085 1.00 0.00 H new ATOM 1212 N ALA A 79 12.132 -9.809 2.314 1.00 0.00 N ATOM 1213 CA ALA A 79 12.469 -9.092 3.532 1.00 0.00 C ATOM 1214 C ALA A 79 12.949 -7.686 3.200 1.00 0.00 C ATOM 1215 O ALA A 79 13.532 -7.454 2.141 1.00 0.00 O ATOM 1216 CB ALA A 79 13.519 -9.843 4.332 1.00 0.00 C ATOM 0 H ALA A 79 12.870 -10.420 1.964 1.00 0.00 H new ATOM 0 HA ALA A 79 11.571 -9.017 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.754 -9.285 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.136 -10.828 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.422 -9.956 3.732 1.00 0.00 H new ATOM 1222 N GLY A 80 12.684 -6.749 4.097 1.00 0.00 N ATOM 1223 CA GLY A 80 13.076 -5.373 3.867 1.00 0.00 C ATOM 1224 C GLY A 80 11.940 -4.565 3.280 1.00 0.00 C ATOM 1225 O GLY A 80 11.821 -3.367 3.535 1.00 0.00 O ATOM 0 H GLY A 80 12.204 -6.916 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.397 -4.923 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.931 -5.345 3.192 1.00 0.00 H new ATOM 1229 N ASP A 81 11.089 -5.232 2.503 1.00 0.00 N ATOM 1230 CA ASP A 81 9.941 -4.579 1.891 1.00 0.00 C ATOM 1231 C ASP A 81 8.793 -4.507 2.891 1.00 0.00 C ATOM 1232 O ASP A 81 8.989 -4.738 4.083 1.00 0.00 O ATOM 1233 CB ASP A 81 9.502 -5.340 0.639 1.00 0.00 C ATOM 1234 CG ASP A 81 10.640 -5.546 -0.341 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.457 -4.615 -0.506 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.715 -6.638 -0.943 1.00 0.00 O ATOM 0 H ASP A 81 11.176 -6.224 2.284 1.00 0.00 H new ATOM 0 HA ASP A 81 10.224 -3.567 1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.097 -6.309 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.698 -4.792 0.148 1.00 0.00 H new ATOM 1241 N ARG A 82 7.599 -4.185 2.409 1.00 0.00 N ATOM 1242 CA ARG A 82 6.436 -4.088 3.282 1.00 0.00 C ATOM 1243 C ARG A 82 5.163 -4.514 2.562 1.00 0.00 C ATOM 1244 O ARG A 82 5.069 -4.434 1.337 1.00 0.00 O ATOM 1245 CB ARG A 82 6.278 -2.654 3.793 1.00 0.00 C ATOM 1246 CG ARG A 82 7.199 -2.308 4.952 1.00 0.00 C ATOM 1247 CD ARG A 82 7.920 -0.989 4.717 1.00 0.00 C ATOM 1248 NE ARG A 82 9.268 -1.187 4.189 1.00 0.00 N ATOM 1249 CZ ARG A 82 9.981 -0.231 3.600 1.00 0.00 C ATOM 1250 NH1 ARG A 82 9.480 0.991 3.460 1.00 0.00 N ATOM 1251 NH2 ARG A 82 11.199 -0.496 3.147 1.00 0.00 N ATOM 0 H ARG A 82 7.411 -3.988 1.426 1.00 0.00 H new ATOM 0 HA ARG A 82 6.597 -4.762 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.468 -1.963 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.245 -2.502 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.619 -2.248 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.931 -3.105 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.344 -0.380 4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.976 -0.435 5.654 1.00 0.00 H new ATOM 0 HE ARG A 82 9.687 -2.113 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.543 1.201 3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.032 1.720 3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.589 -1.433 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.746 0.237 2.695 1.00 0.00 H new ATOM 1265 N VAL A 83 4.178 -4.950 3.340 1.00 0.00 N ATOM 1266 CA VAL A 83 2.896 -5.372 2.795 1.00 0.00 C ATOM 1267 C VAL A 83 1.805 -4.399 3.220 1.00 0.00 C ATOM 1268 O VAL A 83 1.516 -4.263 4.408 1.00 0.00 O ATOM 1269 CB VAL A 83 2.515 -6.792 3.267 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.151 -7.197 2.724 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.576 -7.797 2.847 1.00 0.00 C ATOM 0 H VAL A 83 4.245 -5.020 4.355 1.00 0.00 H new ATOM 0 HA VAL A 83 2.990 -5.383 1.709 1.00 0.00 H new ATOM 0 HB VAL A 83 2.458 -6.784 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.905 -8.201 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.396 -6.496 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.175 -7.185 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.290 -8.792 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.666 -7.798 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.533 -7.522 3.290 1.00 0.00 H new ATOM 1281 N VAL A 84 1.202 -3.719 2.251 1.00 0.00 N ATOM 1282 CA VAL A 84 0.151 -2.759 2.551 1.00 0.00 C ATOM 1283 C VAL A 84 -1.223 -3.417 2.492 1.00 0.00 C ATOM 1284 O VAL A 84 -1.698 -3.812 1.427 1.00 0.00 O ATOM 1285 CB VAL A 84 0.197 -1.547 1.594 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.230 -1.934 0.194 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -0.660 -0.410 2.129 1.00 0.00 C ATOM 0 H VAL A 84 1.422 -3.815 1.260 1.00 0.00 H new ATOM 0 HA VAL A 84 0.326 -2.399 3.565 1.00 0.00 H new ATOM 0 HB VAL A 84 1.229 -1.202 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.187 -1.059 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.439 -2.704 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.250 -2.318 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.615 0.434 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.693 -0.746 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.288 -0.102 3.106 1.00 0.00 H new ATOM 1297 N VAL A 85 -1.846 -3.544 3.656 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.158 -4.163 3.764 1.00 0.00 C ATOM 1299 C VAL A 85 -4.269 -3.132 3.571 1.00 0.00 C ATOM 1300 O VAL A 85 -4.197 -2.025 4.102 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.332 -4.850 5.131 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.521 -5.789 5.108 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.067 -5.601 5.520 1.00 0.00 C ATOM 0 H VAL A 85 -1.460 -3.224 4.544 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.229 -4.913 2.976 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.516 -4.079 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.628 -6.265 6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.425 -5.225 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.367 -6.553 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.211 -6.079 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.849 -6.361 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.233 -4.902 5.581 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.292 -3.498 2.801 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.408 -2.593 2.538 1.00 0.00 C ATOM 1315 C ILE A 86 -7.308 -2.435 3.762 1.00 0.00 C ATOM 1316 O ILE A 86 -8.092 -1.489 3.842 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.257 -3.065 1.342 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -7.764 -4.489 1.567 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.450 -2.983 0.054 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -8.948 -4.852 0.700 1.00 0.00 C ATOM 0 H ILE A 86 -5.371 -4.410 2.351 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.966 -1.626 2.297 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.121 -2.406 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.953 -5.190 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.041 -4.606 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.063 -3.320 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.140 -1.952 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.568 -3.618 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.254 -5.876 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.775 -4.174 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.669 -4.768 -0.350 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.186 -3.351 4.721 1.00 0.00 N ATOM 1333 CA ASP A 87 -7.987 -3.280 5.937 1.00 0.00 C ATOM 1334 C ASP A 87 -7.139 -2.752 7.091 1.00 0.00 C ATOM 1335 O ASP A 87 -7.571 -1.884 7.849 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.556 -4.658 6.287 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.069 -4.651 6.377 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.726 -4.622 5.316 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.597 -4.677 7.508 1.00 0.00 O ATOM 0 H ASP A 87 -6.546 -4.144 4.679 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.819 -2.597 5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.243 -5.380 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.139 -4.989 7.238 1.00 0.00 H new ATOM 1344 N GLY A 88 -5.922 -3.274 7.201 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.010 -2.839 8.243 1.00 0.00 C ATOM 1346 C GLY A 88 -4.306 -4.005 8.914 1.00 0.00 C ATOM 1347 O GLY A 88 -4.448 -5.150 8.486 1.00 0.00 O ATOM 0 H GLY A 88 -5.549 -3.995 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.267 -2.166 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.561 -2.270 8.992 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.558 -3.716 9.974 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.843 -4.753 10.713 1.00 0.00 C ATOM 1353 C LEU A 89 -2.103 -4.159 11.910 1.00 0.00 C ATOM 1354 O LEU A 89 -1.084 -3.487 11.754 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.858 -5.486 9.796 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.488 -6.900 10.245 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.740 -7.735 10.468 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.579 -7.562 9.219 1.00 0.00 C ATOM 0 H LEU A 89 -3.431 -2.773 10.341 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.578 -5.468 11.083 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.287 -5.539 8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.946 -4.894 9.721 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.949 -6.832 11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.456 -8.738 10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.355 -7.270 11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.307 -7.797 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.325 -8.568 9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.093 -7.618 8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.333 -6.975 9.108 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.625 -4.409 13.106 1.00 0.00 N ATOM 1371 CA ASP A 90 -2.015 -3.895 14.328 1.00 0.00 C ATOM 1372 C ASP A 90 -1.426 -5.027 15.166 1.00 0.00 C ATOM 1373 O ASP A 90 -1.596 -5.065 16.385 1.00 0.00 O ATOM 1374 CB ASP A 90 -3.046 -3.119 15.149 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.208 -1.690 14.671 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -2.470 -0.811 15.164 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -4.074 -1.448 13.803 1.00 0.00 O ATOM 0 H ASP A 90 -3.468 -4.964 13.256 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.205 -3.223 14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.008 -3.629 15.095 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.745 -3.117 16.197 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.729 -5.948 14.505 1.00 0.00 N ATOM 1383 CA ARG A 91 -0.113 -7.078 15.192 1.00 0.00 C ATOM 1384 C ARG A 91 0.650 -7.961 14.210 1.00 0.00 C ATOM 1385 O ARG A 91 0.366 -7.965 13.013 1.00 0.00 O ATOM 1386 CB ARG A 91 -1.176 -7.905 15.919 1.00 0.00 C ATOM 1387 CG ARG A 91 -2.307 -8.372 15.018 1.00 0.00 C ATOM 1388 CD ARG A 91 -3.428 -7.348 14.956 1.00 0.00 C ATOM 1389 NE ARG A 91 -4.696 -7.948 14.546 1.00 0.00 N ATOM 1390 CZ ARG A 91 -5.495 -8.626 15.365 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -5.163 -8.794 16.640 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -6.631 -9.138 14.911 1.00 0.00 N ATOM 0 H ARG A 91 -0.577 -5.933 13.496 1.00 0.00 H new ATOM 0 HA ARG A 91 0.592 -6.684 15.924 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.700 -8.775 16.371 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.593 -7.311 16.732 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.923 -8.554 14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.699 -9.320 15.386 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.547 -6.881 15.934 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.158 -6.557 14.256 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.985 -7.840 13.574 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.291 -8.402 16.996 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.780 -9.315 17.263 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.892 -9.012 13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.243 -9.658 15.540 1.00 0.00 H new ATOM 1406 N MET A 92 1.620 -8.710 14.726 1.00 0.00 N ATOM 1407 CA MET A 92 2.425 -9.599 13.895 1.00 0.00 C ATOM 1408 C MET A 92 1.543 -10.605 13.164 1.00 0.00 C ATOM 1409 O MET A 92 0.551 -11.087 13.710 1.00 0.00 O ATOM 1410 CB MET A 92 3.458 -10.335 14.749 1.00 0.00 C ATOM 1411 CG MET A 92 4.522 -11.049 13.932 1.00 0.00 C ATOM 1412 SD MET A 92 5.392 -12.313 14.878 1.00 0.00 S ATOM 1413 CE MET A 92 6.578 -11.309 15.769 1.00 0.00 C ATOM 0 H MET A 92 1.868 -8.719 15.715 1.00 0.00 H new ATOM 0 HA MET A 92 2.944 -8.991 13.154 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.941 -9.621 15.416 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.945 -11.062 15.378 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.057 -11.509 13.060 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.241 -10.318 13.562 1.00 0.00 H new ATOM 0 HE1 MET A 92 7.194 -11.949 16.401 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.214 -10.781 15.059 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.049 -10.586 16.390 1.00 0.00 H new ATOM 1423 N ALA A 93 1.908 -10.916 11.924 1.00 0.00 N ATOM 1424 CA ALA A 93 1.143 -11.863 11.121 1.00 0.00 C ATOM 1425 C ALA A 93 2.006 -12.502 10.037 1.00 0.00 C ATOM 1426 O ALA A 93 2.581 -11.805 9.203 1.00 0.00 O ATOM 1427 CB ALA A 93 -0.055 -11.168 10.493 1.00 0.00 C ATOM 0 H ALA A 93 2.726 -10.527 11.455 1.00 0.00 H new ATOM 0 HA ALA A 93 0.794 -12.656 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.619 -11.884 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.695 -10.766 11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.290 -10.355 9.854 1.00 0.00 H new ATOM 1433 N HIS A 94 2.086 -13.830 10.048 1.00 0.00 N ATOM 1434 CA HIS A 94 2.877 -14.546 9.054 1.00 0.00 C ATOM 1435 C HIS A 94 2.314 -14.329 7.657 1.00 0.00 C ATOM 1436 O HIS A 94 1.117 -14.093 7.485 1.00 0.00 O ATOM 1437 CB HIS A 94 2.931 -16.044 9.364 1.00 0.00 C ATOM 1438 CG HIS A 94 1.671 -16.781 9.029 1.00 0.00 C ATOM 1439 ND1 HIS A 94 1.664 -18.038 8.461 1.00 0.00 N ATOM 1440 CD2 HIS A 94 0.373 -16.427 9.171 1.00 0.00 C ATOM 1441 CE1 HIS A 94 0.416 -18.425 8.268 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -0.387 -17.467 8.691 1.00 0.00 N ATOM 0 H HIS A 94 1.617 -14.427 10.729 1.00 0.00 H new ATOM 0 HA HIS A 94 3.891 -14.147 9.093 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.758 -16.489 8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.147 -16.178 10.424 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.003 -15.500 9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.106 -19.365 7.837 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.406 -17.494 8.666 1.00 0.00 H new ATOM 1451 N PHE A 95 3.185 -14.416 6.664 1.00 0.00 N ATOM 1452 CA PHE A 95 2.782 -14.237 5.279 1.00 0.00 C ATOM 1453 C PHE A 95 2.981 -15.527 4.492 1.00 0.00 C ATOM 1454 O PHE A 95 2.200 -15.842 3.594 1.00 0.00 O ATOM 1455 CB PHE A 95 3.579 -13.099 4.638 1.00 0.00 C ATOM 1456 CG PHE A 95 3.240 -12.865 3.194 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.973 -12.439 2.827 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.187 -13.070 2.203 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.657 -12.222 1.498 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.877 -12.855 0.874 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.610 -12.431 0.521 1.00 0.00 C ATOM 0 H PHE A 95 4.178 -14.610 6.793 1.00 0.00 H new ATOM 0 HA PHE A 95 1.723 -13.980 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.400 -12.181 5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.643 -13.320 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.224 -12.275 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.179 -13.402 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.666 -11.890 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.624 -13.018 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.366 -12.263 -0.518 1.00 0.00 H new ATOM 1471 N LYS A 96 4.029 -16.274 4.836 1.00 0.00 N ATOM 1472 CA LYS A 96 4.324 -17.532 4.159 1.00 0.00 C ATOM 1473 C LYS A 96 5.587 -18.166 4.727 1.00 0.00 C ATOM 1474 O LYS A 96 6.534 -17.466 5.080 1.00 0.00 O ATOM 1475 CB LYS A 96 4.489 -17.310 2.653 1.00 0.00 C ATOM 1476 CG LYS A 96 5.651 -16.399 2.294 1.00 0.00 C ATOM 1477 CD LYS A 96 6.270 -16.785 0.961 1.00 0.00 C ATOM 1478 CE LYS A 96 7.757 -16.473 0.925 1.00 0.00 C ATOM 1479 NZ LYS A 96 8.497 -17.162 2.019 1.00 0.00 N ATOM 0 H LYS A 96 4.685 -16.029 5.578 1.00 0.00 H new ATOM 0 HA LYS A 96 3.485 -18.207 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.631 -18.275 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.568 -16.884 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.305 -15.366 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.409 -16.448 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.116 -17.849 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.766 -16.250 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.168 -16.776 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.904 -15.396 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.483 -17.317 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.478 -16.573 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.047 -18.078 2.219 1.00 0.00 H new ATOM 1493 N ASP A 97 5.596 -19.493 4.805 1.00 0.00 N ATOM 1494 CA ASP A 97 6.748 -20.223 5.326 1.00 0.00 C ATOM 1495 C ASP A 97 7.157 -19.696 6.702 1.00 0.00 C ATOM 1496 O ASP A 97 6.733 -20.230 7.727 1.00 0.00 O ATOM 1497 CB ASP A 97 7.924 -20.127 4.350 1.00 0.00 C ATOM 1498 CG ASP A 97 7.717 -20.976 3.111 1.00 0.00 C ATOM 1499 OD1 ASP A 97 6.556 -21.110 2.670 1.00 0.00 O ATOM 1500 OD2 ASP A 97 8.716 -21.506 2.581 1.00 0.00 O ATOM 0 H ASP A 97 4.818 -20.086 4.514 1.00 0.00 H new ATOM 0 HA ASP A 97 6.464 -21.270 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.064 -19.087 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.838 -20.441 4.854 1.00 0.00 H new ATOM 1505 N ASP A 98 7.982 -18.651 6.723 1.00 0.00 N ATOM 1506 CA ASP A 98 8.435 -18.070 7.981 1.00 0.00 C ATOM 1507 C ASP A 98 8.457 -16.543 7.936 1.00 0.00 C ATOM 1508 O ASP A 98 8.835 -15.901 8.915 1.00 0.00 O ATOM 1509 CB ASP A 98 9.824 -18.601 8.340 1.00 0.00 C ATOM 1510 CG ASP A 98 9.762 -19.868 9.170 1.00 0.00 C ATOM 1511 OD1 ASP A 98 9.262 -20.890 8.657 1.00 0.00 O ATOM 1512 OD2 ASP A 98 10.214 -19.837 10.334 1.00 0.00 O ATOM 0 H ASP A 98 8.347 -18.193 5.888 1.00 0.00 H new ATOM 0 HA ASP A 98 7.721 -18.366 8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.383 -18.797 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.371 -17.836 8.890 1.00 0.00 H new ATOM 1517 N LEU A 99 8.044 -15.955 6.816 1.00 0.00 N ATOM 1518 CA LEU A 99 8.021 -14.505 6.703 1.00 0.00 C ATOM 1519 C LEU A 99 6.855 -13.948 7.506 1.00 0.00 C ATOM 1520 O LEU A 99 5.698 -14.277 7.247 1.00 0.00 O ATOM 1521 CB LEU A 99 7.902 -14.082 5.237 1.00 0.00 C ATOM 1522 CG LEU A 99 9.233 -13.931 4.496 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.000 -13.435 3.078 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.158 -12.988 5.250 1.00 0.00 C ATOM 0 H LEU A 99 7.725 -16.455 5.986 1.00 0.00 H new ATOM 0 HA LEU A 99 8.954 -14.106 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.292 -14.817 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.368 -13.133 5.191 1.00 0.00 H new ATOM 0 HG LEU A 99 9.711 -14.909 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.957 -13.333 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.375 -14.149 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.500 -12.467 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.100 -12.892 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.688 -12.008 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.351 -13.387 6.246 1.00 0.00 H new ATOM 1536 N VAL A 100 7.164 -13.116 8.492 1.00 0.00 N ATOM 1537 CA VAL A 100 6.134 -12.534 9.338 1.00 0.00 C ATOM 1538 C VAL A 100 6.045 -11.024 9.151 1.00 0.00 C ATOM 1539 O VAL A 100 7.059 -10.332 9.060 1.00 0.00 O ATOM 1540 CB VAL A 100 6.376 -12.887 10.830 1.00 0.00 C ATOM 1541 CG1 VAL A 100 6.787 -11.668 11.646 1.00 0.00 C ATOM 1542 CG2 VAL A 100 5.139 -13.539 11.427 1.00 0.00 C ATOM 0 H VAL A 100 8.115 -12.831 8.724 1.00 0.00 H new ATOM 0 HA VAL A 100 5.180 -12.964 9.034 1.00 0.00 H new ATOM 0 HB VAL A 100 7.204 -13.595 10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.946 -11.961 12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.710 -11.253 11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.000 -10.916 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.324 -13.781 12.474 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.296 -12.852 11.357 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.909 -14.453 10.879 1.00 0.00 H new ATOM 1552 N LEU A 101 4.816 -10.525 9.091 1.00 0.00 N ATOM 1553 CA LEU A 101 4.571 -9.103 8.911 1.00 0.00 C ATOM 1554 C LEU A 101 4.284 -8.427 10.247 1.00 0.00 C ATOM 1555 O LEU A 101 3.372 -8.825 10.971 1.00 0.00 O ATOM 1556 CB LEU A 101 3.390 -8.894 7.963 1.00 0.00 C ATOM 1557 CG LEU A 101 3.725 -9.026 6.478 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.473 -9.351 5.676 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.373 -7.750 5.970 1.00 0.00 C ATOM 0 H LEU A 101 3.970 -11.090 9.165 1.00 0.00 H new ATOM 0 HA LEU A 101 5.466 -8.653 8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.612 -9.616 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.972 -7.903 8.139 1.00 0.00 H new ATOM 0 HG LEU A 101 4.432 -9.846 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.730 -9.441 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.049 -10.292 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.742 -8.553 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.607 -7.857 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.687 -6.914 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.291 -7.562 6.527 1.00 0.00 H new ATOM 1571 N VAL A 102 5.066 -7.403 10.567 1.00 0.00 N ATOM 1572 CA VAL A 102 4.889 -6.671 11.815 1.00 0.00 C ATOM 1573 C VAL A 102 4.361 -5.264 11.550 1.00 0.00 C ATOM 1574 O VAL A 102 4.823 -4.584 10.634 1.00 0.00 O ATOM 1575 CB VAL A 102 6.211 -6.572 12.601 1.00 0.00 C ATOM 1576 CG1 VAL A 102 5.972 -5.969 13.976 1.00 0.00 C ATOM 1577 CG2 VAL A 102 6.867 -7.940 12.716 1.00 0.00 C ATOM 0 H VAL A 102 5.827 -7.061 9.981 1.00 0.00 H new ATOM 0 HA VAL A 102 4.164 -7.225 12.410 1.00 0.00 H new ATOM 0 HB VAL A 102 6.888 -5.915 12.056 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.917 -5.907 14.516 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.551 -4.970 13.867 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.277 -6.597 14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.799 -7.851 13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.196 -8.623 13.237 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.077 -8.328 11.719 1.00 0.00 H new ATOM 1587 N PRO A 103 3.385 -4.800 12.353 1.00 0.00 N ATOM 1588 CA PRO A 103 2.801 -3.465 12.198 1.00 0.00 C ATOM 1589 C PRO A 103 3.870 -2.388 12.059 1.00 0.00 C ATOM 1590 O PRO A 103 4.747 -2.255 12.913 1.00 0.00 O ATOM 1591 CB PRO A 103 1.991 -3.260 13.490 1.00 0.00 C ATOM 1592 CG PRO A 103 2.344 -4.411 14.379 1.00 0.00 C ATOM 1593 CD PRO A 103 2.772 -5.525 13.470 1.00 0.00 C ATOM 0 HA PRO A 103 2.195 -3.390 11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.242 -2.310 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.921 -3.240 13.282 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.145 -4.140 15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.490 -4.710 14.986 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.480 -6.197 13.956 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.927 -6.132 13.146 1.00 0.00 H new ATOM 1601 N LEU A 104 3.798 -1.632 10.969 1.00 0.00 N ATOM 1602 CA LEU A 104 4.768 -0.579 10.709 1.00 0.00 C ATOM 1603 C LEU A 104 4.095 0.786 10.585 1.00 0.00 C ATOM 1604 O LEU A 104 4.579 1.774 11.137 1.00 0.00 O ATOM 1605 CB LEU A 104 5.552 -0.895 9.433 1.00 0.00 C ATOM 1606 CG LEU A 104 6.891 -0.169 9.295 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.717 -0.315 10.564 1.00 0.00 C ATOM 1608 CD2 LEU A 104 7.660 -0.697 8.094 1.00 0.00 C ATOM 0 H LEU A 104 3.078 -1.730 10.253 1.00 0.00 H new ATOM 0 HA LEU A 104 5.453 -0.537 11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.734 -1.969 9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.931 -0.645 8.573 1.00 0.00 H new ATOM 0 HG LEU A 104 6.691 0.891 9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.665 0.209 10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.171 0.112 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.908 -1.371 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.610 -0.170 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.847 -1.763 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.075 -0.537 7.188 1.00 0.00 H new ATOM 1620 N THR A 105 2.983 0.844 9.856 1.00 0.00 N ATOM 1621 CA THR A 105 2.269 2.103 9.671 1.00 0.00 C ATOM 1622 C THR A 105 0.829 1.876 9.229 1.00 0.00 C ATOM 1623 O THR A 105 0.562 1.088 8.326 1.00 0.00 O ATOM 1624 CB THR A 105 3.008 2.980 8.656 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.276 3.364 9.159 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.261 4.245 8.290 1.00 0.00 C ATOM 0 H THR A 105 2.561 0.042 9.388 1.00 0.00 H new ATOM 0 HA THR A 105 2.238 2.614 10.633 1.00 0.00 H new ATOM 0 HB THR A 105 3.102 2.364 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.353 3.089 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.844 4.816 7.567 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.297 3.985 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.103 4.846 9.185 1.00 0.00 H new ATOM 1634 N THR A 106 -0.090 2.586 9.881 1.00 0.00 N ATOM 1635 CA THR A 106 -1.511 2.482 9.572 1.00 0.00 C ATOM 1636 C THR A 106 -2.095 3.852 9.244 1.00 0.00 C ATOM 1637 O THR A 106 -2.047 4.771 10.063 1.00 0.00 O ATOM 1638 CB THR A 106 -2.265 1.866 10.752 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.775 0.567 11.036 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.757 1.751 10.519 1.00 0.00 C ATOM 0 H THR A 106 0.128 3.243 10.630 1.00 0.00 H new ATOM 0 HA THR A 106 -1.623 1.838 8.700 1.00 0.00 H new ATOM 0 HB THR A 106 -2.096 2.546 11.587 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.268 0.190 11.794 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.229 1.306 11.395 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.176 2.742 10.345 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.942 1.121 9.649 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.651 3.981 8.044 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.249 5.241 7.611 1.00 0.00 C ATOM 1650 C LYS A 107 -4.535 4.991 6.830 1.00 0.00 C ATOM 1651 O LYS A 107 -4.567 4.171 5.913 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.261 6.033 6.754 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.255 6.833 7.567 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.827 8.094 6.835 1.00 0.00 C ATOM 1655 CE LYS A 107 0.069 8.964 7.702 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.685 10.075 6.925 1.00 0.00 N ATOM 0 H LYS A 107 -2.701 3.231 7.355 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.492 5.823 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.723 5.343 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.817 6.713 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.693 7.100 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.380 6.217 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.299 7.824 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.709 8.661 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.513 9.377 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.855 8.350 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.624 10.293 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.782 9.790 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.080 10.919 6.987 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.593 5.705 7.199 1.00 0.00 N ATOM 1671 CA VAL A 108 -6.882 5.562 6.533 1.00 0.00 C ATOM 1672 C VAL A 108 -7.041 6.586 5.414 1.00 0.00 C ATOM 1673 O VAL A 108 -6.645 7.742 5.557 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.049 5.718 7.526 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.373 5.389 6.852 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.833 4.842 8.752 1.00 0.00 C ATOM 0 H VAL A 108 -5.583 6.389 7.956 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.908 4.558 6.109 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.083 6.757 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.185 5.505 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.532 6.065 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.352 4.361 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.669 4.967 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.768 3.798 8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.907 5.133 9.248 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.624 6.151 4.302 1.00 0.00 N ATOM 1687 CA VAL A 109 -7.838 7.030 3.157 1.00 0.00 C ATOM 1688 C VAL A 109 -9.171 6.734 2.479 1.00 0.00 C ATOM 1689 O VAL A 109 -9.371 5.654 1.924 1.00 0.00 O ATOM 1690 CB VAL A 109 -6.706 6.890 2.122 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -6.839 7.947 1.038 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.347 6.981 2.801 1.00 0.00 C ATOM 0 H VAL A 109 -7.957 5.196 4.169 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.846 8.051 3.539 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.788 5.910 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.030 7.832 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.797 7.830 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.785 8.938 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.560 6.880 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.253 7.946 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.254 6.182 3.537 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.081 7.701 2.529 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.384 7.524 1.916 1.00 0.00 C ATOM 1704 C GLY A 110 -12.246 6.525 2.663 1.00 0.00 C ATOM 1705 O GLY A 110 -13.005 5.771 2.053 1.00 0.00 O ATOM 0 H GLY A 110 -9.939 8.603 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.897 8.485 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.255 7.190 0.887 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.128 6.519 3.986 1.00 0.00 N ATOM 1710 CA GLY A 111 -12.908 5.600 4.795 1.00 0.00 C ATOM 1711 C GLY A 111 -12.401 4.174 4.705 1.00 0.00 C ATOM 1712 O GLY A 111 -13.170 3.225 4.861 1.00 0.00 O ATOM 0 H GLY A 111 -11.507 7.133 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.884 5.926 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.949 5.633 4.475 1.00 0.00 H new ATOM 1716 N SER A 112 -11.106 4.024 4.451 1.00 0.00 N ATOM 1717 CA SER A 112 -10.498 2.703 4.340 1.00 0.00 C ATOM 1718 C SER A 112 -9.125 2.678 5.002 1.00 0.00 C ATOM 1719 O SER A 112 -8.216 3.405 4.600 1.00 0.00 O ATOM 1720 CB SER A 112 -10.376 2.297 2.870 1.00 0.00 C ATOM 1721 OG SER A 112 -11.591 1.752 2.388 1.00 0.00 O ATOM 0 H SER A 112 -10.457 4.800 4.318 1.00 0.00 H new ATOM 0 HA SER A 112 -11.142 1.990 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.101 3.165 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.576 1.566 2.757 1.00 0.00 H new ATOM 0 HG SER A 112 -12.324 2.007 2.986 1.00 0.00 H new ATOM 1727 N ARG A 113 -8.980 1.837 6.020 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.719 1.715 6.741 1.00 0.00 C ATOM 1729 C ARG A 113 -6.626 1.157 5.835 1.00 0.00 C ATOM 1730 O ARG A 113 -6.896 0.352 4.945 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.892 0.813 7.964 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.305 1.562 9.220 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.608 0.607 10.363 1.00 0.00 C ATOM 1734 NE ARG A 113 -9.906 -0.045 10.204 1.00 0.00 N ATOM 1735 CZ ARG A 113 -10.569 -0.629 11.199 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -10.061 -0.647 12.425 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -11.744 -1.201 10.967 1.00 0.00 N ATOM 0 H ARG A 113 -9.722 1.228 6.365 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.420 2.710 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.641 0.053 7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.955 0.290 8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.509 2.245 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.185 2.170 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.826 -0.151 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -8.590 1.153 11.306 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.329 -0.053 9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.157 -0.211 12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.574 -1.096 13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.138 -1.193 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.253 -1.649 11.729 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.391 1.589 6.068 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.259 1.129 5.272 1.00 0.00 C ATOM 1753 C CYS A 114 -3.031 0.906 6.149 1.00 0.00 C ATOM 1754 O CYS A 114 -2.303 1.847 6.466 1.00 0.00 O ATOM 1755 CB CYS A 114 -3.937 2.143 4.173 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.309 1.404 2.647 1.00 0.00 S ATOM 0 H CYS A 114 -5.149 2.256 6.801 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.532 0.179 4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.838 2.713 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.200 2.851 4.551 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.068 2.341 1.778 1.00 0.00 H new ATOM 1762 N THR A 115 -2.805 -0.345 6.537 1.00 0.00 N ATOM 1763 CA THR A 115 -1.662 -0.687 7.377 1.00 0.00 C ATOM 1764 C THR A 115 -0.570 -1.376 6.571 1.00 0.00 C ATOM 1765 O THR A 115 -0.849 -2.224 5.723 1.00 0.00 O ATOM 1766 CB THR A 115 -2.085 -1.610 8.518 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.098 -1.011 9.308 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.935 -1.981 9.431 1.00 0.00 C ATOM 0 H THR A 115 -3.396 -1.137 6.284 1.00 0.00 H new ATOM 0 HA THR A 115 -1.273 0.247 7.783 1.00 0.00 H new ATOM 0 HB THR A 115 -2.458 -2.516 8.039 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.693 -0.585 10.092 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.296 -2.638 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.165 -2.495 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.515 -1.077 9.873 1.00 0.00 H new ATOM 1776 N ILE A 116 0.678 -1.039 6.872 1.00 0.00 N ATOM 1777 CA ILE A 116 1.817 -1.659 6.209 1.00 0.00 C ATOM 1778 C ILE A 116 2.712 -2.307 7.244 1.00 0.00 C ATOM 1779 O ILE A 116 2.883 -1.786 8.346 1.00 0.00 O ATOM 1780 CB ILE A 116 2.649 -0.674 5.357 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.196 0.761 5.597 1.00 0.00 C ATOM 1782 CG2 ILE A 116 2.541 -1.037 3.882 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.813 1.763 4.640 1.00 0.00 C ATOM 0 H ILE A 116 0.927 -0.339 7.571 1.00 0.00 H new ATOM 0 HA ILE A 116 1.411 -2.401 5.522 1.00 0.00 H new ATOM 0 HB ILE A 116 3.694 -0.750 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.111 0.809 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.447 1.046 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.131 -0.337 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.917 -2.048 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.498 -0.986 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.444 2.762 4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.898 1.744 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.541 1.504 3.617 1.00 0.00 H new ATOM 1795 N CYS A 117 3.261 -3.459 6.900 1.00 0.00 N ATOM 1796 CA CYS A 117 4.112 -4.184 7.829 1.00 0.00 C ATOM 1797 C CYS A 117 5.409 -4.647 7.179 1.00 0.00 C ATOM 1798 O CYS A 117 5.413 -5.136 6.049 1.00 0.00 O ATOM 1799 CB CYS A 117 3.359 -5.396 8.378 1.00 0.00 C ATOM 1800 SG CYS A 117 1.838 -4.984 9.265 1.00 0.00 S ATOM 0 H CYS A 117 3.135 -3.910 5.994 1.00 0.00 H new ATOM 0 HA CYS A 117 4.371 -3.500 8.637 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.115 -6.063 7.551 1.00 0.00 H new ATOM 0 HB3 CYS A 117 4.019 -5.947 9.048 1.00 0.00 H new ATOM 0 HG CYS A 117 1.726 -5.746 10.312 1.00 0.00 H new ATOM 1806 N ASP A 118 6.506 -4.512 7.916 1.00 0.00 N ATOM 1807 CA ASP A 118 7.810 -4.940 7.429 1.00 0.00 C ATOM 1808 C ASP A 118 7.858 -6.461 7.345 1.00 0.00 C ATOM 1809 O ASP A 118 7.320 -7.153 8.209 1.00 0.00 O ATOM 1810 CB ASP A 118 8.920 -4.431 8.351 1.00 0.00 C ATOM 1811 CG ASP A 118 10.237 -4.243 7.624 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.210 -3.837 6.443 1.00 0.00 O ATOM 1813 OD2 ASP A 118 11.295 -4.502 8.235 1.00 0.00 O ATOM 0 H ASP A 118 6.517 -4.109 8.853 1.00 0.00 H new ATOM 0 HA ASP A 118 7.966 -4.521 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.614 -3.483 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.059 -5.136 9.171 1.00 0.00 H new ATOM 1818 N VAL A 119 8.497 -6.982 6.305 1.00 0.00 N ATOM 1819 CA VAL A 119 8.595 -8.422 6.129 1.00 0.00 C ATOM 1820 C VAL A 119 9.834 -8.967 6.822 1.00 0.00 C ATOM 1821 O VAL A 119 10.952 -8.830 6.326 1.00 0.00 O ATOM 1822 CB VAL A 119 8.629 -8.815 4.639 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.207 -10.266 4.461 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.740 -7.892 3.816 1.00 0.00 C ATOM 0 H VAL A 119 8.952 -6.432 5.576 1.00 0.00 H new ATOM 0 HA VAL A 119 7.704 -8.859 6.580 1.00 0.00 H new ATOM 0 HB VAL A 119 9.653 -8.708 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.237 -10.526 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.888 -10.913 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.193 -10.399 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.780 -8.188 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.713 -7.962 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 119 8.090 -6.865 3.916 1.00 0.00 H new ATOM 1834 N VAL A 120 9.623 -9.579 7.979 1.00 0.00 N ATOM 1835 CA VAL A 120 10.714 -10.144 8.760 1.00 0.00 C ATOM 1836 C VAL A 120 10.493 -11.634 8.995 1.00 0.00 C ATOM 1837 O VAL A 120 9.375 -12.069 9.265 1.00 0.00 O ATOM 1838 CB VAL A 120 10.860 -9.426 10.117 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.747 -8.199 9.974 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.497 -9.038 10.671 1.00 0.00 C ATOM 0 H VAL A 120 8.701 -9.697 8.399 1.00 0.00 H new ATOM 0 HA VAL A 120 11.632 -10.002 8.189 1.00 0.00 H new ATOM 0 HB VAL A 120 11.330 -10.114 10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.840 -7.703 10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.734 -8.502 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.303 -7.511 9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.624 -8.533 11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.997 -8.369 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.893 -9.934 10.811 1.00 0.00 H new ATOM 1850 N LYS A 121 11.561 -12.413 8.879 1.00 0.00 N ATOM 1851 CA LYS A 121 11.477 -13.857 9.066 1.00 0.00 C ATOM 1852 C LYS A 121 11.327 -14.214 10.542 1.00 0.00 C ATOM 1853 O LYS A 121 12.013 -13.659 11.401 1.00 0.00 O ATOM 1854 CB LYS A 121 12.716 -14.539 8.483 1.00 0.00 C ATOM 1855 CG LYS A 121 12.719 -16.050 8.653 1.00 0.00 C ATOM 1856 CD LYS A 121 13.063 -16.759 7.353 1.00 0.00 C ATOM 1857 CE LYS A 121 11.882 -16.773 6.397 1.00 0.00 C ATOM 1858 NZ LYS A 121 11.843 -18.017 5.580 1.00 0.00 N ATOM 0 H LYS A 121 12.495 -12.070 8.656 1.00 0.00 H new ATOM 0 HA LYS A 121 10.592 -14.214 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.785 -14.302 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.605 -14.127 8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.440 -16.329 9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.740 -16.380 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.910 -16.262 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.372 -17.782 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.955 -16.682 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.939 -15.907 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.884 -18.155 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.517 -17.936 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.101 -18.831 6.174 1.00 0.00 H new ATOM 1872 N GLU A 122 10.422 -15.146 10.824 1.00 0.00 N ATOM 1873 CA GLU A 122 10.169 -15.586 12.191 1.00 0.00 C ATOM 1874 C GLU A 122 11.226 -16.589 12.643 1.00 0.00 C ATOM 1875 O GLU A 122 11.868 -17.243 11.821 1.00 0.00 O ATOM 1876 CB GLU A 122 8.776 -16.211 12.295 1.00 0.00 C ATOM 1877 CG GLU A 122 8.605 -17.460 11.448 1.00 0.00 C ATOM 1878 CD GLU A 122 7.158 -17.713 11.070 1.00 0.00 C ATOM 1879 OE1 GLU A 122 6.651 -17.015 10.167 1.00 0.00 O ATOM 1880 OE2 GLU A 122 6.533 -18.607 11.677 1.00 0.00 O ATOM 0 H GLU A 122 9.850 -15.613 10.120 1.00 0.00 H new ATOM 0 HA GLU A 122 10.219 -14.715 12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.575 -16.459 13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.032 -15.473 11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.202 -17.365 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.990 -18.321 11.994 1.00 0.00 H new ATOM 1887 N GLU A 123 11.401 -16.705 13.956 1.00 0.00 N ATOM 1888 CA GLU A 123 12.380 -17.629 14.517 1.00 0.00 C ATOM 1889 C GLU A 123 11.896 -18.195 15.848 1.00 0.00 C ATOM 1890 O GLU A 123 11.397 -19.340 15.858 1.00 0.00 O ATOM 1891 CB GLU A 123 13.727 -16.927 14.703 1.00 0.00 C ATOM 1892 CG GLU A 123 14.896 -17.683 14.093 1.00 0.00 C ATOM 1893 CD GLU A 123 15.405 -18.793 14.991 1.00 0.00 C ATOM 1894 OE1 GLU A 123 14.828 -19.900 14.949 1.00 0.00 O ATOM 1895 OE2 GLU A 123 16.379 -18.556 15.735 1.00 0.00 O ATOM 1896 OXT GLU A 123 12.020 -17.488 16.871 1.00 0.00 O ATOM 0 H GLU A 123 10.878 -16.171 14.650 1.00 0.00 H new ATOM 0 HA GLU A 123 12.504 -18.456 13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.675 -15.934 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.911 -16.788 15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.591 -18.106 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 123 15.708 -16.985 13.888 1.00 0.00 H new TER 1903 GLU A 123