USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 21 HIS : no HD1:sc= -0.0892 X(o=-0.18,f=-0.28) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.0917 X(o=-0.18,f=0) USER MOD Set 2.1: A 26 THR OG1 : rot -82:sc= 1.8 USER MOD Set 2.2: A 76 THR OG1 : rot -31:sc= 1.1 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 116:sc= 0.0227 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0908 (180deg=-0.185) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0415 F(o=-0.65,f=-0.041) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.7!) USER MOD Single : A 45 TYR OH : rot -73:sc= 0.66 USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -0.011 (180deg=-0.486) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 125:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ -113:sc= -0.392 (180deg=-2.08!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.59) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -164:sc= -8.49! (180deg=-9.49!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 99 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.4!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -0.673 X(o=-0.67,f=-1.2) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.039 -12.810 -1.612 1.00 0.00 N ATOM 67 CA GLY A 8 0.070 -13.203 -0.603 1.00 0.00 C ATOM 68 C GLY A 8 -1.179 -12.322 -0.668 1.00 0.00 C ATOM 69 O GLY A 8 -1.754 -12.132 -1.739 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.209 -14.247 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.520 -13.129 0.387 1.00 0.00 H new ATOM 73 N GLN A 9 -1.561 -11.806 0.491 1.00 0.00 N ATOM 74 CA GLN A 9 -2.732 -10.949 0.578 1.00 0.00 C ATOM 75 C GLN A 9 -2.460 -9.774 1.519 1.00 0.00 C ATOM 76 O GLN A 9 -1.907 -9.956 2.603 1.00 0.00 O ATOM 77 CB GLN A 9 -3.959 -11.742 1.032 1.00 0.00 C ATOM 78 CG GLN A 9 -4.390 -12.746 -0.039 1.00 0.00 C ATOM 79 CD GLN A 9 -5.637 -13.516 0.401 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.564 -14.582 0.989 1.00 0.00 O ATOM 81 NE2 GLN A 9 -6.782 -12.917 0.085 1.00 0.00 N ATOM 0 H GLN A 9 -1.081 -11.964 1.377 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.943 -10.553 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.733 -12.269 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.780 -11.058 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.593 -12.222 -0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.577 -13.445 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.771 -12.024 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.671 -13.350 0.336 1.00 0.00 H new ATOM 90 N LEU A 10 -2.860 -8.593 1.071 1.00 0.00 N ATOM 91 CA LEU A 10 -2.667 -7.388 1.859 1.00 0.00 C ATOM 92 C LEU A 10 -4.030 -6.808 2.239 1.00 0.00 C ATOM 93 O LEU A 10 -4.936 -6.747 1.409 1.00 0.00 O ATOM 94 CB LEU A 10 -1.764 -6.401 1.116 1.00 0.00 C ATOM 95 CG LEU A 10 -0.819 -5.570 1.987 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.288 -4.359 1.217 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.497 -5.164 3.297 1.00 0.00 C ATOM 0 H LEU A 10 -3.317 -8.445 0.171 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.149 -7.620 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.166 -6.958 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.396 -5.719 0.547 1.00 0.00 H new ATOM 0 HG LEU A 10 0.040 -6.189 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.381 -3.785 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.256 -4.698 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.123 -3.730 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.804 -4.574 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.384 -4.570 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.786 -6.058 3.849 1.00 0.00 H new ATOM 109 N SER A 11 -4.134 -6.397 3.494 1.00 0.00 N ATOM 110 CA SER A 11 -5.371 -5.823 3.995 1.00 0.00 C ATOM 111 C SER A 11 -5.250 -4.300 4.070 1.00 0.00 C ATOM 112 O SER A 11 -4.383 -3.777 4.768 1.00 0.00 O ATOM 113 CB SER A 11 -5.728 -6.396 5.368 1.00 0.00 C ATOM 114 OG SER A 11 -7.126 -6.317 5.633 1.00 0.00 O ATOM 0 H SER A 11 -3.381 -6.450 4.180 1.00 0.00 H new ATOM 0 HA SER A 11 -6.172 -6.083 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.407 -7.436 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.182 -5.854 6.140 1.00 0.00 H new ATOM 0 HG SER A 11 -7.495 -7.221 5.715 1.00 0.00 H new ATOM 120 N ILE A 12 -6.132 -3.631 3.341 1.00 0.00 N ATOM 121 CA ILE A 12 -6.134 -2.179 3.317 1.00 0.00 C ATOM 122 C ILE A 12 -7.565 -1.672 3.513 1.00 0.00 C ATOM 123 O ILE A 12 -8.490 -2.144 2.854 1.00 0.00 O ATOM 124 CB ILE A 12 -5.469 -1.663 2.039 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.987 -2.043 2.001 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.679 -0.156 1.881 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.565 -2.461 0.591 1.00 0.00 C ATOM 0 H ILE A 12 -6.850 -4.068 2.763 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.539 -1.784 4.140 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.947 -2.145 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.382 -1.198 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.799 -2.860 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.196 0.185 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.746 0.059 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.244 0.363 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.508 -2.726 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.155 -3.321 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.732 -1.634 -0.099 1.00 0.00 H new ATOM 139 N LYS A 13 -7.701 -0.718 4.422 1.00 0.00 N ATOM 140 CA LYS A 13 -9.003 -0.142 4.713 1.00 0.00 C ATOM 141 C LYS A 13 -9.082 1.261 4.107 1.00 0.00 C ATOM 142 O LYS A 13 -8.354 2.162 4.521 1.00 0.00 O ATOM 143 CB LYS A 13 -9.281 -0.179 6.217 1.00 0.00 C ATOM 144 CG LYS A 13 -10.701 -0.674 6.500 1.00 0.00 C ATOM 145 CD LYS A 13 -10.990 -0.681 8.002 1.00 0.00 C ATOM 146 CE LYS A 13 -9.747 -1.085 8.797 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.055 -1.147 10.244 1.00 0.00 N ATOM 0 H LYS A 13 -6.931 -0.329 4.967 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.793 -0.734 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.560 -0.832 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.148 0.817 6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.421 -0.034 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.827 -1.679 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.322 0.308 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.804 -1.373 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.388 -2.055 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.946 -0.368 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.170 -1.220 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.564 -0.285 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.649 -1.979 10.437 1.00 0.00 H new ATOM 161 N LEU A 14 -9.973 1.403 3.137 1.00 0.00 N ATOM 162 CA LEU A 14 -10.157 2.681 2.470 1.00 0.00 C ATOM 163 C LEU A 14 -11.458 3.322 2.956 1.00 0.00 C ATOM 164 O LEU A 14 -12.433 2.624 3.231 1.00 0.00 O ATOM 165 CB LEU A 14 -10.086 2.508 0.952 1.00 0.00 C ATOM 166 CG LEU A 14 -8.748 2.018 0.394 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.866 1.678 -1.093 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.637 3.034 0.663 1.00 0.00 C ATOM 0 H LEU A 14 -10.576 0.654 2.797 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.349 3.365 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.862 1.805 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.323 3.464 0.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.477 1.099 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.901 1.332 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.610 0.893 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.171 2.566 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.697 2.661 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.888 3.982 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.533 3.184 1.738 1.00 0.00 H new ATOM 180 N TRP A 15 -11.431 4.643 3.048 1.00 0.00 N ATOM 181 CA TRP A 15 -12.596 5.387 3.496 1.00 0.00 C ATOM 182 C TRP A 15 -12.513 6.796 2.907 1.00 0.00 C ATOM 183 O TRP A 15 -11.466 7.438 2.970 1.00 0.00 O ATOM 184 CB TRP A 15 -12.696 5.382 5.023 1.00 0.00 C ATOM 185 CG TRP A 15 -13.574 6.497 5.593 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.271 7.794 5.737 1.00 0.00 C ATOM 187 CD2 TRP A 15 -14.921 6.360 6.093 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.319 8.500 6.291 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.355 7.601 6.514 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.746 5.225 6.186 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -16.626 7.825 7.057 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.013 5.466 6.731 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.465 6.709 7.159 1.00 0.00 C ATOM 0 H TRP A 15 -10.620 5.218 2.820 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.513 4.916 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.092 4.420 5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.694 5.472 5.443 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.325 8.232 5.455 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.331 9.499 6.499 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.428 4.245 5.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -16.942 8.806 7.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.687 4.627 6.826 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.459 6.813 7.568 1.00 0.00 H new ATOM 204 N PHE A 16 -13.631 7.236 2.349 1.00 0.00 N ATOM 205 CA PHE A 16 -13.698 8.558 1.749 1.00 0.00 C ATOM 206 C PHE A 16 -14.166 9.599 2.768 1.00 0.00 C ATOM 207 O PHE A 16 -14.942 9.286 3.669 1.00 0.00 O ATOM 208 CB PHE A 16 -14.717 8.482 0.610 1.00 0.00 C ATOM 209 CG PHE A 16 -14.832 9.769 -0.209 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.794 10.175 -0.988 1.00 0.00 C ATOM 211 CD2 PHE A 16 -15.974 10.507 -0.158 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.901 11.369 -1.748 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.081 11.701 -0.919 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.043 12.107 -1.697 1.00 0.00 C ATOM 0 H PHE A 16 -14.498 6.701 2.300 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.712 8.855 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.442 7.663 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.695 8.240 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.888 9.589 -1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.798 10.185 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.076 11.692 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -16.987 12.287 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.125 13.016 -2.275 1.00 0.00 H new ATOM 224 N ASP A 17 -13.675 10.817 2.590 1.00 0.00 N ATOM 225 CA ASP A 17 -14.034 11.906 3.482 1.00 0.00 C ATOM 226 C ASP A 17 -14.652 13.045 2.668 1.00 0.00 C ATOM 227 O ASP A 17 -13.966 13.688 1.875 1.00 0.00 O ATOM 228 CB ASP A 17 -12.802 12.456 4.204 1.00 0.00 C ATOM 229 CG ASP A 17 -12.935 13.894 4.708 1.00 0.00 C ATOM 230 OD1 ASP A 17 -13.186 14.773 3.855 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.783 14.082 5.934 1.00 0.00 O ATOM 0 H ASP A 17 -13.032 11.073 1.841 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.741 11.520 4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.578 11.809 5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.949 12.402 3.528 1.00 0.00 H new ATOM 236 N LYS A 18 -15.940 13.258 2.892 1.00 0.00 N ATOM 237 CA LYS A 18 -16.658 14.308 2.188 1.00 0.00 C ATOM 238 C LYS A 18 -16.697 15.565 3.060 1.00 0.00 C ATOM 239 O LYS A 18 -16.837 16.675 2.548 1.00 0.00 O ATOM 240 CB LYS A 18 -18.041 13.815 1.758 1.00 0.00 C ATOM 241 CG LYS A 18 -18.955 13.618 2.969 1.00 0.00 C ATOM 242 CD LYS A 18 -19.276 12.137 3.179 1.00 0.00 C ATOM 243 CE LYS A 18 -20.376 11.958 4.226 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.576 10.523 4.528 1.00 0.00 N ATOM 0 H LYS A 18 -16.505 12.722 3.551 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.139 14.574 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.490 14.534 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.943 12.875 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.474 14.020 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.880 14.177 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.591 11.692 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.377 11.608 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.110 12.494 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.307 12.392 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.326 10.420 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.851 10.021 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.691 10.119 4.896 1.00 0.00 H new ATOM 258 N VAL A 19 -16.570 15.349 4.361 1.00 0.00 N ATOM 259 CA VAL A 19 -16.589 16.450 5.308 1.00 0.00 C ATOM 260 C VAL A 19 -15.604 17.528 4.850 1.00 0.00 C ATOM 261 O VAL A 19 -16.005 18.649 4.540 1.00 0.00 O ATOM 262 CB VAL A 19 -16.296 15.933 6.718 1.00 0.00 C ATOM 263 CG1 VAL A 19 -17.476 15.124 7.261 1.00 0.00 C ATOM 264 CG2 VAL A 19 -15.007 15.110 6.743 1.00 0.00 C ATOM 0 H VAL A 19 -16.453 14.427 4.781 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.578 16.907 5.343 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.154 16.795 7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -17.242 14.768 8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -18.364 15.755 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.664 14.272 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.822 14.755 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.107 14.257 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.172 15.731 6.418 1.00 0.00 H new ATOM 274 N GLY A 20 -14.334 17.150 4.822 1.00 0.00 N ATOM 275 CA GLY A 20 -13.289 18.071 4.407 1.00 0.00 C ATOM 276 C GLY A 20 -12.807 17.750 2.990 1.00 0.00 C ATOM 277 O GLY A 20 -11.904 18.407 2.475 1.00 0.00 O ATOM 0 H GLY A 20 -14.005 16.219 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.664 19.094 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.451 18.013 5.102 1.00 0.00 H new ATOM 281 N HIS A 21 -13.432 16.742 2.401 1.00 0.00 N ATOM 282 CA HIS A 21 -13.079 16.327 1.054 1.00 0.00 C ATOM 283 C HIS A 21 -11.676 15.716 1.057 1.00 0.00 C ATOM 284 O HIS A 21 -10.766 16.241 0.417 1.00 0.00 O ATOM 285 CB HIS A 21 -13.216 17.492 0.073 1.00 0.00 C ATOM 286 CG HIS A 21 -14.624 18.022 -0.059 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.516 17.553 -1.007 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.285 18.983 0.648 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.658 18.210 -0.869 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.513 19.096 0.157 1.00 0.00 N ATOM 0 H HIS A 21 -14.181 16.200 2.832 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.772 15.558 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.562 18.303 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.866 17.170 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -14.878 19.555 1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.548 18.069 -1.465 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.230 19.740 0.492 1.00 0.00 H new ATOM 298 N GLN A 22 -11.545 14.616 1.784 1.00 0.00 N ATOM 299 CA GLN A 22 -10.269 13.929 1.878 1.00 0.00 C ATOM 300 C GLN A 22 -10.446 12.438 1.586 1.00 0.00 C ATOM 301 O GLN A 22 -11.569 11.964 1.418 1.00 0.00 O ATOM 302 CB GLN A 22 -9.629 14.147 3.251 1.00 0.00 C ATOM 303 CG GLN A 22 -10.066 15.483 3.854 1.00 0.00 C ATOM 304 CD GLN A 22 -9.613 15.602 5.311 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.995 14.587 6.080 1.00 0.00 O flip ATOM 306 NE2 GLN A 22 -8.959 16.552 5.709 1.00 0.00 N flip ATOM 0 H GLN A 22 -12.302 14.184 2.313 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.597 14.348 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.909 13.333 3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.543 14.124 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.647 16.303 3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.151 15.574 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.699 17.298 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.672 16.600 6.687 1.00 0.00 H new ATOM 315 N LEU A 23 -9.322 11.739 1.535 1.00 0.00 N ATOM 316 CA LEU A 23 -9.339 10.312 1.266 1.00 0.00 C ATOM 317 C LEU A 23 -8.546 9.583 2.354 1.00 0.00 C ATOM 318 O LEU A 23 -7.337 9.768 2.475 1.00 0.00 O ATOM 319 CB LEU A 23 -8.841 10.027 -0.152 1.00 0.00 C ATOM 320 CG LEU A 23 -8.860 8.561 -0.589 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.288 8.011 -0.597 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.169 8.383 -1.942 1.00 0.00 C ATOM 0 H LEU A 23 -8.393 12.135 1.676 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.359 9.930 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.449 10.602 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.820 10.398 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.295 7.979 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.274 6.967 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.711 8.083 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.897 8.591 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.197 7.332 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.685 8.979 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.132 8.712 -1.867 1.00 0.00 H new ATOM 334 N ILE A 24 -9.261 8.769 3.117 1.00 0.00 N ATOM 335 CA ILE A 24 -8.640 8.011 4.190 1.00 0.00 C ATOM 336 C ILE A 24 -8.080 6.703 3.627 1.00 0.00 C ATOM 337 O ILE A 24 -8.760 6.004 2.878 1.00 0.00 O ATOM 338 CB ILE A 24 -9.624 7.813 5.345 1.00 0.00 C ATOM 339 CG1 ILE A 24 -9.905 9.136 6.059 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.127 6.734 6.309 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.396 10.198 5.074 1.00 0.00 C ATOM 0 H ILE A 24 -10.264 8.618 3.013 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.799 8.563 4.610 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.570 7.464 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.654 8.982 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.999 9.486 6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.844 6.613 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.021 5.790 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.161 7.029 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.588 11.129 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.635 10.367 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.315 9.856 4.599 1.00 0.00 H new ATOM 353 N VAL A 25 -6.846 6.412 4.010 1.00 0.00 N ATOM 354 CA VAL A 25 -6.187 5.200 3.553 1.00 0.00 C ATOM 355 C VAL A 25 -5.473 4.537 4.733 1.00 0.00 C ATOM 356 O VAL A 25 -4.353 4.913 5.076 1.00 0.00 O ATOM 357 CB VAL A 25 -5.246 5.523 2.390 1.00 0.00 C ATOM 358 CG1 VAL A 25 -4.628 4.247 1.815 1.00 0.00 C ATOM 359 CG2 VAL A 25 -5.971 6.319 1.304 1.00 0.00 C ATOM 0 H VAL A 25 -6.285 6.994 4.632 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.919 4.487 3.173 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.436 6.143 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.964 4.504 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.060 3.735 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.419 3.591 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.280 6.536 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.809 5.735 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.341 7.254 1.724 1.00 0.00 H new ATOM 369 N THR A 26 -6.151 3.562 5.321 1.00 0.00 N ATOM 370 CA THR A 26 -5.596 2.843 6.455 1.00 0.00 C ATOM 371 C THR A 26 -4.924 1.550 5.990 1.00 0.00 C ATOM 372 O THR A 26 -5.549 0.728 5.321 1.00 0.00 O ATOM 373 CB THR A 26 -6.721 2.614 7.467 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.588 3.696 8.384 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.492 1.368 8.324 1.00 0.00 C ATOM 0 H THR A 26 -7.080 3.253 5.033 1.00 0.00 H new ATOM 0 HA THR A 26 -4.812 3.421 6.944 1.00 0.00 H new ATOM 0 HB THR A 26 -7.671 2.522 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.898 3.481 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.319 1.252 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.435 0.490 7.681 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.559 1.474 8.878 1.00 0.00 H new ATOM 383 N ILE A 27 -3.661 1.410 6.362 1.00 0.00 N ATOM 384 CA ILE A 27 -2.898 0.230 5.991 1.00 0.00 C ATOM 385 C ILE A 27 -2.920 -0.771 7.148 1.00 0.00 C ATOM 386 O ILE A 27 -2.070 -0.718 8.035 1.00 0.00 O ATOM 387 CB ILE A 27 -1.488 0.622 5.544 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.537 1.584 4.355 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.643 -0.618 5.244 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.238 0.939 3.157 1.00 0.00 C ATOM 0 H ILE A 27 -3.146 2.094 6.917 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.354 -0.264 5.133 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.004 1.150 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.062 2.495 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.524 1.874 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.354 -0.311 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.567 -1.232 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.114 -1.195 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.260 1.643 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.696 0.042 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.258 0.672 3.433 1.00 0.00 H new ATOM 402 N LEU A 28 -3.901 -1.660 7.100 1.00 0.00 N ATOM 403 CA LEU A 28 -4.045 -2.672 8.133 1.00 0.00 C ATOM 404 C LEU A 28 -2.728 -3.437 8.279 1.00 0.00 C ATOM 405 O LEU A 28 -1.793 -2.954 8.917 1.00 0.00 O ATOM 406 CB LEU A 28 -5.248 -3.570 7.839 1.00 0.00 C ATOM 407 CG LEU A 28 -6.618 -2.890 7.877 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.625 -3.635 6.998 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.116 -2.739 9.316 1.00 0.00 C ATOM 0 H LEU A 28 -4.604 -1.701 6.362 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.252 -2.206 9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.112 -4.014 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.250 -4.388 8.559 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.512 -1.886 7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.590 -3.131 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.270 -3.647 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.733 -4.659 7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.092 -2.253 9.314 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.202 -3.723 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.410 -2.133 9.884 1.00 0.00 H new ATOM 421 N GLY A 29 -2.696 -4.616 7.677 1.00 0.00 N ATOM 422 CA GLY A 29 -1.509 -5.452 7.732 1.00 0.00 C ATOM 423 C GLY A 29 -1.493 -6.459 6.580 1.00 0.00 C ATOM 424 O GLY A 29 -2.484 -6.607 5.867 1.00 0.00 O ATOM 0 H GLY A 29 -3.473 -5.013 7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.617 -4.827 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.477 -5.982 8.684 1.00 0.00 H new ATOM 428 N ALA A 30 -0.356 -7.124 6.433 1.00 0.00 N ATOM 429 CA ALA A 30 -0.198 -8.112 5.379 1.00 0.00 C ATOM 430 C ALA A 30 -0.201 -9.513 5.995 1.00 0.00 C ATOM 431 O ALA A 30 -0.034 -9.664 7.204 1.00 0.00 O ATOM 432 CB ALA A 30 1.083 -7.822 4.596 1.00 0.00 C ATOM 0 H ALA A 30 0.464 -6.998 7.026 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.029 -8.060 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.202 -8.563 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.022 -6.827 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.939 -7.869 5.269 1.00 0.00 H new ATOM 438 N LYS A 31 -0.393 -10.502 5.134 1.00 0.00 N ATOM 439 CA LYS A 31 -0.420 -11.885 5.578 1.00 0.00 C ATOM 440 C LYS A 31 -0.093 -12.802 4.398 1.00 0.00 C ATOM 441 O LYS A 31 -0.360 -12.457 3.247 1.00 0.00 O ATOM 442 CB LYS A 31 -1.755 -12.205 6.254 1.00 0.00 C ATOM 443 CG LYS A 31 -2.904 -12.166 5.244 1.00 0.00 C ATOM 444 CD LYS A 31 -3.327 -13.580 4.840 1.00 0.00 C ATOM 445 CE LYS A 31 -4.552 -14.034 5.637 1.00 0.00 C ATOM 446 NZ LYS A 31 -5.703 -14.261 4.734 1.00 0.00 N ATOM 0 H LYS A 31 -0.531 -10.373 4.132 1.00 0.00 H new ATOM 0 HA LYS A 31 0.344 -12.056 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.706 -13.191 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.944 -11.488 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.754 -11.637 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.597 -11.608 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.552 -13.606 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.502 -14.272 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.321 -14.951 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.809 -13.280 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.526 -14.569 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.933 -13.378 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.460 -14.997 4.040 1.00 0.00 H new ATOM 460 N ASP A 32 0.481 -13.951 4.723 1.00 0.00 N ATOM 461 CA ASP A 32 0.847 -14.919 3.704 1.00 0.00 C ATOM 462 C ASP A 32 2.080 -14.417 2.949 1.00 0.00 C ATOM 463 O ASP A 32 2.146 -14.517 1.725 1.00 0.00 O ATOM 464 CB ASP A 32 -0.284 -15.107 2.690 1.00 0.00 C ATOM 465 CG ASP A 32 -0.556 -16.558 2.287 1.00 0.00 C ATOM 466 OD1 ASP A 32 0.293 -17.410 2.625 1.00 0.00 O ATOM 467 OD2 ASP A 32 -1.609 -16.781 1.651 1.00 0.00 O ATOM 0 H ASP A 32 0.702 -14.233 5.678 1.00 0.00 H new ATOM 0 HA ASP A 32 1.049 -15.869 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.198 -14.683 3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.047 -14.535 1.793 1.00 0.00 H new ATOM 472 N LEU A 33 3.026 -13.888 3.711 1.00 0.00 N ATOM 473 CA LEU A 33 4.252 -13.370 3.129 1.00 0.00 C ATOM 474 C LEU A 33 5.307 -14.478 3.102 1.00 0.00 C ATOM 475 O LEU A 33 5.224 -15.437 3.868 1.00 0.00 O ATOM 476 CB LEU A 33 4.705 -12.109 3.867 1.00 0.00 C ATOM 477 CG LEU A 33 3.632 -11.040 4.088 1.00 0.00 C ATOM 478 CD1 LEU A 33 4.247 -9.753 4.643 1.00 0.00 C ATOM 479 CD2 LEU A 33 2.837 -10.788 2.806 1.00 0.00 C ATOM 0 H LEU A 33 2.968 -13.807 4.726 1.00 0.00 H new ATOM 0 HA LEU A 33 4.083 -13.064 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.102 -12.403 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.527 -11.661 3.309 1.00 0.00 H new ATOM 0 HG LEU A 33 2.930 -11.410 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.464 -9.010 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.732 -9.963 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.984 -9.368 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.081 -10.024 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.512 -10.448 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.350 -11.711 2.492 1.00 0.00 H new ATOM 612 N ARG A 42 11.755 -11.509 7.585 1.00 0.00 N ATOM 613 CA ARG A 42 12.223 -10.318 6.897 1.00 0.00 C ATOM 614 C ARG A 42 11.562 -9.070 7.486 1.00 0.00 C ATOM 615 O ARG A 42 10.832 -9.157 8.472 1.00 0.00 O ATOM 616 CB ARG A 42 11.916 -10.391 5.400 1.00 0.00 C ATOM 617 CG ARG A 42 10.427 -10.645 5.157 1.00 0.00 C ATOM 618 CD ARG A 42 10.123 -10.733 3.660 1.00 0.00 C ATOM 619 NE ARG A 42 10.441 -12.089 3.158 1.00 0.00 N ATOM 620 CZ ARG A 42 11.641 -12.453 2.685 1.00 0.00 C ATOM 621 NH1 ARG A 42 12.643 -11.565 2.645 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.838 -13.705 2.251 1.00 0.00 N ATOM 0 HA ARG A 42 13.303 -10.259 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.213 -9.459 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.504 -11.187 4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.128 -11.571 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.840 -9.843 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.072 -10.507 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.707 -9.989 3.118 1.00 0.00 H new ATOM 0 HE ARG A 42 9.700 -12.790 3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.493 -10.611 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.556 -11.842 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.075 -14.381 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.751 -13.982 1.891 1.00 0.00 H new ATOM 636 N ASN A 43 11.842 -7.938 6.856 1.00 0.00 N ATOM 637 CA ASN A 43 11.283 -6.674 7.305 1.00 0.00 C ATOM 638 C ASN A 43 10.369 -6.110 6.216 1.00 0.00 C ATOM 639 O ASN A 43 10.820 -5.371 5.343 1.00 0.00 O ATOM 640 CB ASN A 43 12.387 -5.649 7.574 1.00 0.00 C ATOM 641 CG ASN A 43 13.504 -6.256 8.425 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.346 -7.285 9.061 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.640 -5.564 8.401 1.00 0.00 N ATOM 0 H ASN A 43 12.448 -7.870 6.039 1.00 0.00 H new ATOM 0 HA ASN A 43 10.729 -6.858 8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.797 -5.295 6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.967 -4.782 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.446 -5.888 8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.705 -4.710 7.847 1.00 0.00 H new ATOM 650 N PRO A 44 9.066 -6.490 6.306 1.00 0.00 N ATOM 651 CA PRO A 44 8.084 -6.030 5.339 1.00 0.00 C ATOM 652 C PRO A 44 7.710 -4.568 5.590 1.00 0.00 C ATOM 653 O PRO A 44 7.952 -4.039 6.674 1.00 0.00 O ATOM 654 CB PRO A 44 6.906 -6.979 5.493 1.00 0.00 C ATOM 655 CG PRO A 44 7.079 -7.642 6.850 1.00 0.00 C ATOM 656 CD PRO A 44 8.496 -7.365 7.327 1.00 0.00 C ATOM 0 HA PRO A 44 8.461 -6.046 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.960 -6.439 5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.895 -7.721 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.353 -7.249 7.562 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.904 -8.715 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.498 -6.885 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.069 -8.287 7.423 1.00 0.00 H new ATOM 664 N TYR A 45 7.126 -3.956 4.570 1.00 0.00 N ATOM 665 CA TYR A 45 6.717 -2.566 4.667 1.00 0.00 C ATOM 666 C TYR A 45 5.926 -2.140 3.429 1.00 0.00 C ATOM 667 O TYR A 45 6.352 -2.384 2.301 1.00 0.00 O ATOM 668 CB TYR A 45 8.009 -1.749 4.737 1.00 0.00 C ATOM 669 CG TYR A 45 8.634 -1.454 3.372 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.066 -0.506 2.545 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.764 -2.135 2.968 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.654 -0.228 1.260 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.351 -1.856 1.683 1.00 0.00 C ATOM 674 CZ TYR A 45 9.767 -0.917 0.893 1.00 0.00 C ATOM 675 OH TYR A 45 10.322 -0.654 -0.321 1.00 0.00 O ATOM 0 H TYR A 45 6.927 -4.398 3.673 1.00 0.00 H new ATOM 0 HA TYR A 45 6.079 -2.414 5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.803 -0.805 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.734 -2.286 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.181 0.027 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.208 -2.877 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.220 0.511 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.236 -2.381 1.354 1.00 0.00 H new ATOM 0 HH TYR A 45 9.761 -1.037 -1.027 1.00 0.00 H new ATOM 685 N VAL A 46 4.788 -1.510 3.681 1.00 0.00 N ATOM 686 CA VAL A 46 3.933 -1.048 2.600 1.00 0.00 C ATOM 687 C VAL A 46 4.392 0.341 2.151 1.00 0.00 C ATOM 688 O VAL A 46 5.114 1.024 2.875 1.00 0.00 O ATOM 689 CB VAL A 46 2.468 -1.079 3.042 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.534 -0.810 1.861 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.128 -2.408 3.719 1.00 0.00 C ATOM 0 H VAL A 46 4.438 -1.309 4.618 1.00 0.00 H new ATOM 0 HA VAL A 46 4.013 -1.712 1.739 1.00 0.00 H new ATOM 0 HB VAL A 46 2.321 -0.284 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.499 -0.838 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.752 0.172 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.685 -1.573 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.081 -2.404 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.299 -3.227 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.761 -2.542 4.597 1.00 0.00 H new ATOM 701 N LYS A 47 3.954 0.716 0.958 1.00 0.00 N ATOM 702 CA LYS A 47 4.311 2.011 0.404 1.00 0.00 C ATOM 703 C LYS A 47 3.176 2.508 -0.493 1.00 0.00 C ATOM 704 O LYS A 47 2.940 1.954 -1.566 1.00 0.00 O ATOM 705 CB LYS A 47 5.666 1.936 -0.304 1.00 0.00 C ATOM 706 CG LYS A 47 6.356 3.301 -0.315 1.00 0.00 C ATOM 707 CD LYS A 47 7.746 3.209 -0.947 1.00 0.00 C ATOM 708 CE LYS A 47 7.670 2.608 -2.353 1.00 0.00 C ATOM 709 NZ LYS A 47 8.729 3.175 -3.217 1.00 0.00 N ATOM 0 H LYS A 47 3.356 0.146 0.360 1.00 0.00 H new ATOM 0 HA LYS A 47 4.433 2.745 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.302 1.207 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.527 1.587 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.747 4.015 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.441 3.678 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.194 4.202 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.395 2.597 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.778 1.525 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.691 2.809 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.294 3.654 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.292 3.859 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.347 2.410 -3.556 1.00 0.00 H new ATOM 723 N ILE A 48 2.502 3.546 -0.021 1.00 0.00 N ATOM 724 CA ILE A 48 1.397 4.124 -0.767 1.00 0.00 C ATOM 725 C ILE A 48 1.922 5.256 -1.652 1.00 0.00 C ATOM 726 O ILE A 48 2.900 5.917 -1.307 1.00 0.00 O ATOM 727 CB ILE A 48 0.277 4.554 0.182 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.112 3.413 1.124 1.00 0.00 C ATOM 729 CG2 ILE A 48 -0.926 5.090 -0.597 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.152 3.890 2.577 1.00 0.00 C ATOM 0 H ILE A 48 2.700 4.002 0.870 1.00 0.00 H new ATOM 0 HA ILE A 48 0.954 3.380 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 48 0.649 5.370 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.088 3.019 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.603 2.596 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.708 5.389 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.621 5.952 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.308 4.312 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.431 3.059 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.832 4.261 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.885 4.690 2.677 1.00 0.00 H new ATOM 742 N TYR A 49 1.247 5.445 -2.777 1.00 0.00 N ATOM 743 CA TYR A 49 1.633 6.486 -3.715 1.00 0.00 C ATOM 744 C TYR A 49 0.434 6.946 -4.547 1.00 0.00 C ATOM 745 O TYR A 49 0.070 6.299 -5.528 1.00 0.00 O ATOM 746 CB TYR A 49 2.671 5.854 -4.643 1.00 0.00 C ATOM 747 CG TYR A 49 4.102 6.337 -4.398 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.416 7.671 -4.557 1.00 0.00 C ATOM 749 CD2 TYR A 49 5.078 5.438 -4.018 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.763 8.126 -4.326 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.425 5.893 -3.787 1.00 0.00 C ATOM 752 CZ TYR A 49 6.701 7.215 -3.953 1.00 0.00 C ATOM 753 OH TYR A 49 7.973 7.644 -3.735 1.00 0.00 O ATOM 0 H TYR A 49 0.436 4.895 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 49 2.021 7.356 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.639 4.771 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.398 6.069 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.652 8.374 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.832 4.394 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.022 9.168 -4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.198 5.201 -3.489 1.00 0.00 H new ATOM 0 HH TYR A 49 8.534 6.884 -3.473 1.00 0.00 H new ATOM 763 N PHE A 50 -0.146 8.059 -4.125 1.00 0.00 N ATOM 764 CA PHE A 50 -1.296 8.613 -4.820 1.00 0.00 C ATOM 765 C PHE A 50 -0.875 9.291 -6.125 1.00 0.00 C ATOM 766 O PHE A 50 -0.258 10.354 -6.106 1.00 0.00 O ATOM 767 CB PHE A 50 -1.917 9.661 -3.893 1.00 0.00 C ATOM 768 CG PHE A 50 -3.388 9.960 -4.189 1.00 0.00 C ATOM 769 CD1 PHE A 50 -3.930 9.594 -5.381 1.00 0.00 C ATOM 770 CD2 PHE A 50 -4.153 10.593 -3.260 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.295 9.872 -5.656 1.00 0.00 C ATOM 772 CE2 PHE A 50 -5.518 10.871 -3.534 1.00 0.00 C ATOM 773 CZ PHE A 50 -6.060 10.505 -4.727 1.00 0.00 C ATOM 0 H PHE A 50 0.158 8.593 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.000 7.818 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.827 9.318 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.346 10.586 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.322 9.092 -6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.722 10.884 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.725 9.581 -6.603 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.126 11.373 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.098 10.717 -4.936 1.00 0.00 H new ATOM 783 N LEU A 51 -1.225 8.646 -7.229 1.00 0.00 N ATOM 784 CA LEU A 51 -0.891 9.173 -8.541 1.00 0.00 C ATOM 785 C LEU A 51 -1.782 10.379 -8.844 1.00 0.00 C ATOM 786 O LEU A 51 -2.878 10.498 -8.299 1.00 0.00 O ATOM 787 CB LEU A 51 -0.970 8.069 -9.598 1.00 0.00 C ATOM 788 CG LEU A 51 0.189 7.071 -9.613 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.181 7.365 -8.485 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.326 5.631 -9.562 1.00 0.00 C ATOM 0 H LEU A 51 -1.736 7.764 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 51 0.140 9.526 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.897 7.516 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.033 8.538 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 51 0.727 7.187 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.995 6.641 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.584 8.370 -8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.671 7.294 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.518 4.942 -9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.902 5.483 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.961 5.441 -10.427 1.00 0.00 H new ATOM 933 N ARG A 60 2.706 8.100 1.031 1.00 0.00 N ATOM 934 CA ARG A 60 2.509 7.694 2.412 1.00 0.00 C ATOM 935 C ARG A 60 3.012 6.265 2.622 1.00 0.00 C ATOM 936 O ARG A 60 2.534 5.333 1.976 1.00 0.00 O ATOM 937 CB ARG A 60 1.031 7.770 2.802 1.00 0.00 C ATOM 938 CG ARG A 60 0.592 9.221 3.007 1.00 0.00 C ATOM 939 CD ARG A 60 1.132 9.777 4.326 1.00 0.00 C ATOM 940 NE ARG A 60 1.119 11.257 4.295 1.00 0.00 N ATOM 941 CZ ARG A 60 2.006 12.002 3.621 1.00 0.00 C ATOM 942 NH1 ARG A 60 2.982 11.410 2.920 1.00 0.00 N ATOM 943 NH2 ARG A 60 1.917 13.338 3.650 1.00 0.00 N ATOM 0 HA ARG A 60 3.076 8.378 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.422 7.308 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.863 7.203 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.948 9.833 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.496 9.279 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.526 9.417 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.147 9.417 4.493 1.00 0.00 H new ATOM 0 HE ARG A 60 0.389 11.740 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.050 10.392 2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.657 11.977 2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.174 13.788 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.592 13.905 3.137 1.00 0.00 H new ATOM 957 N ARG A 61 3.970 6.137 3.528 1.00 0.00 N ATOM 958 CA ARG A 61 4.544 4.837 3.832 1.00 0.00 C ATOM 959 C ARG A 61 4.407 4.532 5.325 1.00 0.00 C ATOM 960 O ARG A 61 4.591 5.414 6.161 1.00 0.00 O ATOM 961 CB ARG A 61 6.022 4.782 3.440 1.00 0.00 C ATOM 962 CG ARG A 61 6.709 3.564 4.061 1.00 0.00 C ATOM 963 CD ARG A 61 8.028 3.256 3.349 1.00 0.00 C ATOM 964 NE ARG A 61 9.112 3.086 4.343 1.00 0.00 N ATOM 965 CZ ARG A 61 9.624 4.086 5.074 1.00 0.00 C ATOM 966 NH1 ARG A 61 9.154 5.332 4.927 1.00 0.00 N ATOM 967 NH2 ARG A 61 10.606 3.839 5.952 1.00 0.00 N ATOM 0 H ARG A 61 4.363 6.912 4.062 1.00 0.00 H new ATOM 0 HA ARG A 61 3.999 4.091 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.113 4.741 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.523 5.693 3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.897 3.748 5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.048 2.699 4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.926 2.350 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.277 4.064 2.662 1.00 0.00 H new ATOM 0 HE ARG A 61 9.493 2.150 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.407 5.520 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.544 6.093 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.964 2.890 6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.996 4.600 6.508 1.00 0.00 H new ATOM 981 N THR A 62 4.086 3.279 5.613 1.00 0.00 N ATOM 982 CA THR A 62 3.923 2.846 6.991 1.00 0.00 C ATOM 983 C THR A 62 5.282 2.518 7.611 1.00 0.00 C ATOM 984 O THR A 62 6.287 2.432 6.906 1.00 0.00 O ATOM 985 CB THR A 62 2.948 1.668 7.004 1.00 0.00 C ATOM 986 OG1 THR A 62 3.608 0.663 6.239 1.00 0.00 O ATOM 987 CG2 THR A 62 1.669 1.957 6.215 1.00 0.00 C ATOM 0 H THR A 62 3.934 2.550 4.916 1.00 0.00 H new ATOM 0 HA THR A 62 3.503 3.640 7.608 1.00 0.00 H new ATOM 0 HB THR A 62 2.691 1.421 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.681 -0.157 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.012 1.088 6.256 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.160 2.818 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.923 2.171 5.177 1.00 0.00 H new ATOM 995 N LYS A 63 5.271 2.342 8.924 1.00 0.00 N ATOM 996 CA LYS A 63 6.490 2.024 9.648 1.00 0.00 C ATOM 997 C LYS A 63 7.052 0.697 9.133 1.00 0.00 C ATOM 998 O LYS A 63 6.296 -0.205 8.778 1.00 0.00 O ATOM 999 CB LYS A 63 6.238 2.041 11.157 1.00 0.00 C ATOM 1000 CG LYS A 63 4.933 1.320 11.503 1.00 0.00 C ATOM 1001 CD LYS A 63 5.087 0.491 12.779 1.00 0.00 C ATOM 1002 CE LYS A 63 5.037 -1.007 12.470 1.00 0.00 C ATOM 1003 NZ LYS A 63 6.350 -1.635 12.735 1.00 0.00 N ATOM 0 H LYS A 63 4.436 2.414 9.506 1.00 0.00 H new ATOM 0 HA LYS A 63 7.250 2.785 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.070 1.563 11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.193 3.071 11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.134 2.050 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.641 0.672 10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.033 0.735 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.294 0.748 13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.269 -1.484 13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.758 -1.160 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.769 -1.955 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.982 -0.942 13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.223 -2.450 13.368 1.00 0.00 H new ATOM 1017 N THR A 64 8.375 0.621 9.109 1.00 0.00 N ATOM 1018 CA THR A 64 9.047 -0.580 8.644 1.00 0.00 C ATOM 1019 C THR A 64 9.081 -1.635 9.752 1.00 0.00 C ATOM 1020 O THR A 64 9.715 -1.433 10.787 1.00 0.00 O ATOM 1021 CB THR A 64 10.436 -0.180 8.143 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.180 0.508 6.921 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.276 -1.387 7.721 1.00 0.00 C ATOM 0 H THR A 64 8.999 1.372 9.404 1.00 0.00 H new ATOM 0 HA THR A 64 8.507 -1.040 7.817 1.00 0.00 H new ATOM 0 HB THR A 64 10.959 0.371 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.028 0.804 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.252 -1.048 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.406 -2.055 8.572 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.769 -1.919 6.916 1.00 0.00 H new ATOM 1031 N VAL A 65 8.392 -2.737 9.497 1.00 0.00 N ATOM 1032 CA VAL A 65 8.336 -3.824 10.459 1.00 0.00 C ATOM 1033 C VAL A 65 9.555 -4.729 10.273 1.00 0.00 C ATOM 1034 O VAL A 65 10.045 -4.895 9.156 1.00 0.00 O ATOM 1035 CB VAL A 65 7.009 -4.574 10.325 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.542 -5.109 11.680 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.939 -3.685 9.688 1.00 0.00 C ATOM 0 H VAL A 65 7.868 -2.901 8.638 1.00 0.00 H new ATOM 0 HA VAL A 65 8.373 -3.435 11.476 1.00 0.00 H new ATOM 0 HB VAL A 65 7.171 -5.427 9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.597 -5.638 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.291 -5.793 12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.405 -4.278 12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.006 -4.242 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.781 -2.804 10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.267 -3.375 8.696 1.00 0.00 H new ATOM 1047 N LYS A 66 10.011 -5.291 11.383 1.00 0.00 N ATOM 1048 CA LYS A 66 11.164 -6.174 11.355 1.00 0.00 C ATOM 1049 C LYS A 66 10.754 -7.557 11.866 1.00 0.00 C ATOM 1050 O LYS A 66 10.005 -7.667 12.836 1.00 0.00 O ATOM 1051 CB LYS A 66 12.332 -5.555 12.126 1.00 0.00 C ATOM 1052 CG LYS A 66 12.621 -4.135 11.635 1.00 0.00 C ATOM 1053 CD LYS A 66 14.038 -4.029 11.068 1.00 0.00 C ATOM 1054 CE LYS A 66 14.756 -2.793 11.615 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.216 -3.030 11.683 1.00 0.00 N ATOM 0 H LYS A 66 9.603 -5.152 12.307 1.00 0.00 H new ATOM 0 HA LYS A 66 11.520 -6.304 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.100 -5.535 13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.221 -6.174 12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.897 -3.857 10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.501 -3.430 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.604 -4.925 11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.995 -3.978 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.550 -1.933 10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.374 -2.552 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.688 -2.182 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.408 -3.837 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.579 -3.238 10.731 1.00 0.00 H new ATOM 1069 N LYS A 67 11.263 -8.577 11.191 1.00 0.00 N ATOM 1070 CA LYS A 67 10.959 -9.948 11.565 1.00 0.00 C ATOM 1071 C LYS A 67 9.461 -10.075 11.846 1.00 0.00 C ATOM 1072 O LYS A 67 9.028 -9.964 12.992 1.00 0.00 O ATOM 1073 CB LYS A 67 11.843 -10.394 12.732 1.00 0.00 C ATOM 1074 CG LYS A 67 13.314 -10.452 12.314 1.00 0.00 C ATOM 1075 CD LYS A 67 14.220 -9.907 13.419 1.00 0.00 C ATOM 1076 CE LYS A 67 14.358 -10.915 14.562 1.00 0.00 C ATOM 1077 NZ LYS A 67 15.553 -10.611 15.381 1.00 0.00 N ATOM 0 H LYS A 67 11.884 -8.482 10.387 1.00 0.00 H new ATOM 0 HA LYS A 67 11.189 -10.626 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.725 -9.703 13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.522 -11.375 13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.591 -11.481 12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.459 -9.874 11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.204 -9.680 13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.811 -8.972 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.465 -10.889 15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.435 -11.924 14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.631 -11.305 16.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.404 -10.659 14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.465 -9.656 15.783 1.00 0.00 H new ATOM 1091 N THR A 68 8.709 -10.306 10.780 1.00 0.00 N ATOM 1092 CA THR A 68 7.268 -10.449 10.897 1.00 0.00 C ATOM 1093 C THR A 68 6.649 -10.754 9.531 1.00 0.00 C ATOM 1094 O THR A 68 6.653 -9.906 8.640 1.00 0.00 O ATOM 1095 CB THR A 68 6.717 -9.176 11.543 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.604 -9.629 12.309 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.100 -8.220 10.520 1.00 0.00 C ATOM 0 H THR A 68 9.071 -10.398 9.831 1.00 0.00 H new ATOM 0 HA THR A 68 7.005 -11.294 11.534 1.00 0.00 H new ATOM 0 HB THR A 68 7.517 -8.666 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.188 -8.867 12.764 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.724 -7.333 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.857 -7.926 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.278 -8.718 10.006 1.00 0.00 H new ATOM 1105 N LEU A 69 6.132 -11.968 9.409 1.00 0.00 N ATOM 1106 CA LEU A 69 5.511 -12.395 8.167 1.00 0.00 C ATOM 1107 C LEU A 69 4.134 -11.741 8.038 1.00 0.00 C ATOM 1108 O LEU A 69 3.583 -11.658 6.942 1.00 0.00 O ATOM 1109 CB LEU A 69 5.476 -13.923 8.083 1.00 0.00 C ATOM 1110 CG LEU A 69 6.672 -14.584 7.395 1.00 0.00 C ATOM 1111 CD1 LEU A 69 7.985 -13.933 7.832 1.00 0.00 C ATOM 1112 CD2 LEU A 69 6.675 -16.096 7.634 1.00 0.00 C ATOM 0 H LEU A 69 6.131 -12.669 10.150 1.00 0.00 H new ATOM 0 HA LEU A 69 6.102 -12.065 7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.398 -14.321 9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.569 -14.217 7.554 1.00 0.00 H new ATOM 0 HG LEU A 69 6.577 -14.427 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.819 -14.422 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.972 -12.875 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.101 -14.037 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.535 -16.542 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.734 -16.295 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.758 -16.529 7.234 1.00 0.00 H new ATOM 1124 N GLU A 70 3.619 -11.293 9.174 1.00 0.00 N ATOM 1125 CA GLU A 70 2.317 -10.648 9.202 1.00 0.00 C ATOM 1126 C GLU A 70 2.409 -9.298 9.916 1.00 0.00 C ATOM 1127 O GLU A 70 2.184 -9.213 11.122 1.00 0.00 O ATOM 1128 CB GLU A 70 1.273 -11.549 9.865 1.00 0.00 C ATOM 1129 CG GLU A 70 0.422 -12.267 8.815 1.00 0.00 C ATOM 1130 CD GLU A 70 -0.432 -13.362 9.457 1.00 0.00 C ATOM 1131 OE1 GLU A 70 0.168 -14.234 10.121 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -1.666 -13.302 9.269 1.00 0.00 O ATOM 0 H GLU A 70 4.080 -11.364 10.081 1.00 0.00 H new ATOM 0 HA GLU A 70 1.998 -10.473 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.771 -12.283 10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.631 -10.952 10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.222 -11.547 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.069 -12.704 8.054 1.00 0.00 H new ATOM 1139 N PRO A 71 2.748 -8.249 9.120 1.00 0.00 N ATOM 1140 CA PRO A 71 2.872 -6.907 9.663 1.00 0.00 C ATOM 1141 C PRO A 71 1.496 -6.298 9.939 1.00 0.00 C ATOM 1142 O PRO A 71 0.515 -6.648 9.284 1.00 0.00 O ATOM 1143 CB PRO A 71 3.667 -6.134 8.624 1.00 0.00 C ATOM 1144 CG PRO A 71 3.558 -6.934 7.336 1.00 0.00 C ATOM 1145 CD PRO A 71 3.022 -8.312 7.687 1.00 0.00 C ATOM 0 HA PRO A 71 3.380 -6.888 10.627 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.267 -5.129 8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.708 -6.026 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.893 -6.434 6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.532 -7.015 6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.119 -8.542 7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.749 -9.090 7.457 1.00 0.00 H new ATOM 1153 N LYS A 72 1.467 -5.395 10.909 1.00 0.00 N ATOM 1154 CA LYS A 72 0.227 -4.734 11.279 1.00 0.00 C ATOM 1155 C LYS A 72 0.497 -3.246 11.509 1.00 0.00 C ATOM 1156 O LYS A 72 0.936 -2.851 12.588 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.417 -5.435 12.477 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.989 -6.795 12.073 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.108 -7.224 13.026 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.558 -8.084 14.165 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.663 -8.618 14.992 1.00 0.00 N ATOM 0 H LYS A 72 2.282 -5.106 11.450 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.499 -4.805 10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.323 -5.568 13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.211 -4.809 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.374 -6.744 11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.196 -7.543 12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.599 -6.342 13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.865 -7.783 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.971 -8.907 13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.886 -7.490 14.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.272 -9.199 15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.206 -7.829 15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.289 -9.201 14.401 1.00 0.00 H new ATOM 1175 N TRP A 73 0.224 -2.461 10.477 1.00 0.00 N ATOM 1176 CA TRP A 73 0.432 -1.025 10.553 1.00 0.00 C ATOM 1177 C TRP A 73 -0.856 -0.388 11.078 1.00 0.00 C ATOM 1178 O TRP A 73 -0.812 0.498 11.931 1.00 0.00 O ATOM 1179 CB TRP A 73 0.869 -0.461 9.200 1.00 0.00 C ATOM 1180 CG TRP A 73 1.951 -1.288 8.502 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.280 -1.208 8.659 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.742 -2.328 7.524 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.939 -2.118 7.857 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.974 -2.821 7.146 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.550 -2.837 6.978 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.134 -3.846 6.205 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.727 -3.861 6.040 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.961 -4.368 5.648 1.00 0.00 C ATOM 0 H TRP A 73 -0.140 -2.792 9.583 1.00 0.00 H new ATOM 0 HA TRP A 73 1.243 -0.789 11.242 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -0.001 -0.395 8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.238 0.555 9.343 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.773 -0.519 9.328 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.949 -2.250 7.797 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.425 -2.467 7.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.110 -4.214 5.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.157 -4.287 5.589 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.014 -5.161 4.917 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.973 -0.863 10.547 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.271 -0.351 10.951 1.00 0.00 C ATOM 1201 C ASN A 74 -3.177 1.162 11.154 1.00 0.00 C ATOM 1202 O ASN A 74 -3.751 1.703 12.098 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.724 -0.978 12.272 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.844 -1.993 12.042 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -4.636 -3.081 11.531 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -6.042 -1.579 12.447 1.00 0.00 N ATOM 0 H ASN A 74 -2.006 -1.597 9.840 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.989 -0.599 10.169 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.878 -1.468 12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.070 -0.197 12.949 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.855 -2.185 12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.147 -0.656 12.867 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.449 1.804 10.252 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.272 3.244 10.319 1.00 0.00 C ATOM 1215 C GLN A 75 -3.403 3.953 9.571 1.00 0.00 C ATOM 1216 O GLN A 75 -4.323 3.307 9.073 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.906 3.656 9.766 1.00 0.00 C ATOM 1218 CG GLN A 75 0.193 3.444 10.809 1.00 0.00 C ATOM 1219 CD GLN A 75 0.741 4.783 11.308 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.415 5.254 12.385 1.00 0.00 O ATOM 1221 NE2 GLN A 75 1.588 5.369 10.466 1.00 0.00 N ATOM 0 H GLN A 75 -1.975 1.352 9.470 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.309 3.546 11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.681 3.075 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.932 4.704 9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.203 2.873 11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.001 2.855 10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.818 4.920 9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.007 6.267 10.707 1.00 0.00 H new ATOM 1230 N THR A 76 -3.297 5.273 9.516 1.00 0.00 N ATOM 1231 CA THR A 76 -4.299 6.077 8.837 1.00 0.00 C ATOM 1232 C THR A 76 -3.629 7.169 8.001 1.00 0.00 C ATOM 1233 O THR A 76 -2.769 7.896 8.497 1.00 0.00 O ATOM 1234 CB THR A 76 -5.261 6.624 9.893 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.276 5.628 9.986 1.00 0.00 O ATOM 1236 CG2 THR A 76 -6.006 7.872 9.416 1.00 0.00 C ATOM 0 H THR A 76 -2.532 5.806 9.931 1.00 0.00 H new ATOM 0 HA THR A 76 -4.875 5.479 8.131 1.00 0.00 H new ATOM 0 HB THR A 76 -4.707 6.858 10.802 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.381 5.186 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.675 8.219 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.287 8.656 9.179 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.587 7.631 8.526 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.049 7.251 6.747 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.500 8.242 5.837 1.00 0.00 C ATOM 1246 C PHE A 77 -4.616 8.992 5.106 1.00 0.00 C ATOM 1247 O PHE A 77 -5.342 8.405 4.305 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.652 7.488 4.812 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.441 6.770 5.412 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.615 7.430 6.267 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.192 5.472 5.092 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.508 6.764 6.825 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.069 4.806 5.650 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.758 5.466 6.504 1.00 0.00 C ATOM 0 H PHE A 77 -4.763 6.647 6.340 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.911 8.972 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.280 6.756 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.306 8.191 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.813 8.461 6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.848 4.948 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.164 7.288 7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.128 3.775 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.613 4.960 6.927 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.718 10.278 5.408 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.732 11.114 4.790 1.00 0.00 C ATOM 1266 C ILE A 78 -5.131 11.824 3.575 1.00 0.00 C ATOM 1267 O ILE A 78 -4.006 12.316 3.634 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.342 12.067 5.819 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.307 11.327 6.748 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -7.009 13.261 5.134 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.328 11.964 8.139 1.00 0.00 C ATOM 0 H ILE A 78 -4.114 10.761 6.073 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.558 10.503 4.427 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.536 12.460 6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.310 11.342 6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.010 10.281 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.434 13.922 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.268 13.806 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.801 12.906 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.022 11.418 8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.328 11.925 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.649 13.003 8.059 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.909 11.854 2.502 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.467 12.495 1.276 1.00 0.00 C ATOM 1285 C TYR A 79 -6.498 13.515 0.789 1.00 0.00 C ATOM 1286 O TYR A 79 -7.608 13.148 0.406 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.342 11.379 0.237 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.918 10.847 0.064 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.879 11.723 -0.178 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.673 9.492 0.148 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.539 11.222 -0.341 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.332 8.991 -0.015 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.331 9.881 -0.252 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.066 9.409 -0.406 1.00 0.00 O ATOM 0 H TYR A 79 -6.842 11.445 2.457 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.527 13.023 1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.995 10.554 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.700 11.749 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.071 12.784 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.486 8.807 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.717 11.897 -0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.126 7.933 0.050 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.068 8.433 -0.316 1.00 0.00 H new ATOM 1304 N SER A 80 -6.095 14.777 0.819 1.00 0.00 N ATOM 1305 CA SER A 80 -6.970 15.853 0.385 1.00 0.00 C ATOM 1306 C SER A 80 -6.149 16.957 -0.284 1.00 0.00 C ATOM 1307 O SER A 80 -4.936 17.034 -0.097 1.00 0.00 O ATOM 1308 CB SER A 80 -7.767 16.422 1.560 1.00 0.00 C ATOM 1309 OG SER A 80 -7.318 17.724 1.929 1.00 0.00 O ATOM 0 H SER A 80 -5.174 15.078 1.137 1.00 0.00 H new ATOM 0 HA SER A 80 -7.679 15.448 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.823 16.464 1.295 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.680 15.752 2.416 1.00 0.00 H new ATOM 0 HG SER A 80 -7.853 18.053 2.681 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.862 17.807 -1.071 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.297 17.646 -1.239 1.00 0.00 C ATOM 1317 C PRO A 81 -8.611 16.469 -2.165 1.00 0.00 C ATOM 1318 O PRO A 81 -7.880 16.213 -3.120 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.781 18.978 -1.786 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.549 19.674 -2.341 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.324 18.940 -1.819 1.00 0.00 C ATOM 0 HA PRO A 81 -8.806 17.406 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.530 18.832 -2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.247 19.576 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.564 19.665 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.529 20.719 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.684 18.607 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.718 19.584 -1.181 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.701 15.784 -1.849 1.00 0.00 N ATOM 1330 CA VAL A 82 -10.122 14.641 -2.641 1.00 0.00 C ATOM 1331 C VAL A 82 -11.637 14.694 -2.841 1.00 0.00 C ATOM 1332 O VAL A 82 -12.395 14.705 -1.872 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.651 13.344 -1.979 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.396 12.136 -2.549 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -8.138 13.173 -2.121 1.00 0.00 C ATOM 0 H VAL A 82 -10.305 15.999 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.663 14.671 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.881 13.408 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.042 11.227 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.465 12.251 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.212 12.068 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.830 12.244 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.873 13.141 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.631 14.012 -1.645 1.00 0.00 H new ATOM 1345 N HIS A 83 -12.035 14.727 -4.105 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.446 14.779 -4.444 1.00 0.00 C ATOM 1347 C HIS A 83 -13.873 13.450 -5.071 1.00 0.00 C ATOM 1348 O HIS A 83 -13.034 12.684 -5.542 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.745 15.981 -5.343 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.967 17.271 -4.589 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -15.202 17.891 -4.512 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -13.100 18.050 -3.880 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -15.073 18.993 -3.788 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -13.769 19.090 -3.398 1.00 0.00 N ATOM 0 H HIS A 83 -11.404 14.719 -4.906 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.036 14.920 -3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.917 16.116 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.631 15.764 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.048 17.854 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.861 19.692 -3.549 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.373 19.839 -2.829 1.00 0.00 H new ATOM 1362 N ARG A 84 -15.177 13.218 -5.057 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.726 11.995 -5.618 1.00 0.00 C ATOM 1364 C ARG A 84 -15.755 12.078 -7.145 1.00 0.00 C ATOM 1365 O ARG A 84 -15.956 11.070 -7.822 1.00 0.00 O ATOM 1366 CB ARG A 84 -17.143 11.738 -5.101 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.536 10.271 -5.283 1.00 0.00 C ATOM 1368 CD ARG A 84 -16.794 9.377 -4.287 1.00 0.00 C ATOM 1369 NE ARG A 84 -16.843 7.968 -4.738 1.00 0.00 N ATOM 1370 CZ ARG A 84 -17.913 7.173 -4.603 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.029 7.643 -4.029 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -17.867 5.908 -5.042 1.00 0.00 N ATOM 0 H ARG A 84 -15.870 13.856 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.084 11.171 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.203 12.006 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.849 12.376 -5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.612 10.159 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.309 9.954 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.758 9.702 -4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.245 9.467 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.010 7.578 -5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -19.064 8.606 -3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -19.844 7.038 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -17.018 5.550 -5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -18.681 5.303 -4.939 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.552 13.289 -7.644 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.552 13.516 -9.079 1.00 0.00 C ATOM 1388 C ARG A 85 -14.123 13.475 -9.624 1.00 0.00 C ATOM 1389 O ARG A 85 -13.914 13.539 -10.834 1.00 0.00 O ATOM 1390 CB ARG A 85 -16.183 14.868 -9.422 1.00 0.00 C ATOM 1391 CG ARG A 85 -15.250 16.020 -9.044 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.860 16.836 -10.278 1.00 0.00 C ATOM 1393 NE ARG A 85 -13.566 17.516 -10.046 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.937 18.267 -10.960 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -13.480 18.440 -12.173 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.766 18.846 -10.662 1.00 0.00 N ATOM 0 H ARG A 85 -15.387 14.123 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 85 -16.142 12.724 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -16.405 14.910 -10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -17.131 14.975 -8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.741 16.666 -8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.353 15.625 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.786 16.183 -11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.633 17.572 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.125 17.406 -9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.372 18.000 -12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.001 19.012 -12.869 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.353 18.715 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.288 19.418 -11.358 1.00 0.00 H new ATOM 1410 N GLU A 86 -13.176 13.370 -8.703 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.773 13.320 -9.076 1.00 0.00 C ATOM 1412 C GLU A 86 -11.287 11.869 -9.122 1.00 0.00 C ATOM 1413 O GLU A 86 -10.237 11.581 -9.693 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.920 14.153 -8.117 1.00 0.00 C ATOM 1415 CG GLU A 86 -11.146 15.650 -8.343 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.877 16.322 -8.872 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -9.451 15.935 -9.981 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.363 17.207 -8.155 1.00 0.00 O ATOM 0 H GLU A 86 -13.353 13.318 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.667 13.750 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.167 13.895 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.866 13.915 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.961 15.795 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.449 16.121 -7.408 1.00 0.00 H new ATOM 1425 N PHE A 87 -12.075 10.996 -8.512 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.738 9.583 -8.476 1.00 0.00 C ATOM 1427 C PHE A 87 -11.410 9.061 -9.877 1.00 0.00 C ATOM 1428 O PHE A 87 -10.330 8.518 -10.103 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.968 8.844 -7.945 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.994 8.694 -6.422 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -12.210 9.491 -5.647 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.802 7.766 -5.844 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.235 9.352 -4.234 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.827 7.627 -4.431 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.043 8.424 -3.656 1.00 0.00 C ATOM 0 H PHE A 87 -12.945 11.240 -8.039 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.864 9.425 -7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.864 9.376 -8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.008 7.854 -8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.569 10.229 -6.106 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.425 7.134 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.612 9.984 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.468 6.889 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.062 8.319 -2.581 1.00 0.00 H new ATOM 1445 N ARG A 88 -12.362 9.245 -10.780 1.00 0.00 N ATOM 1446 CA ARG A 88 -12.188 8.800 -12.152 1.00 0.00 C ATOM 1447 C ARG A 88 -10.937 9.437 -12.762 1.00 0.00 C ATOM 1448 O ARG A 88 -10.442 8.979 -13.791 1.00 0.00 O ATOM 1449 CB ARG A 88 -13.404 9.161 -13.007 1.00 0.00 C ATOM 1450 CG ARG A 88 -14.017 10.489 -12.556 1.00 0.00 C ATOM 1451 CD ARG A 88 -14.815 11.137 -13.689 1.00 0.00 C ATOM 1452 NE ARG A 88 -15.449 12.386 -13.211 1.00 0.00 N ATOM 1453 CZ ARG A 88 -16.236 13.165 -13.965 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -16.492 12.829 -15.237 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -16.769 14.281 -13.447 1.00 0.00 N ATOM 0 H ARG A 88 -13.256 9.696 -10.588 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.078 7.716 -12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.109 9.229 -14.054 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.150 8.370 -12.937 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.668 10.320 -11.698 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.228 11.166 -12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.157 11.352 -14.531 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.578 10.447 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.276 12.672 -12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.088 11.980 -15.631 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.091 13.423 -15.811 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.575 14.537 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.368 14.874 -14.021 1.00 0.00 H new ATOM 1469 N GLU A 89 -10.463 10.483 -12.101 1.00 0.00 N ATOM 1470 CA GLU A 89 -9.280 11.187 -12.566 1.00 0.00 C ATOM 1471 C GLU A 89 -8.138 11.028 -11.559 1.00 0.00 C ATOM 1472 O GLU A 89 -7.243 11.869 -11.493 1.00 0.00 O ATOM 1473 CB GLU A 89 -9.585 12.665 -12.819 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.992 12.842 -13.396 1.00 0.00 C ATOM 1475 CD GLU A 89 -11.375 14.322 -13.458 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -11.602 14.896 -12.371 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.434 14.846 -14.591 1.00 0.00 O ATOM 0 H GLU A 89 -10.876 10.860 -11.248 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.968 10.747 -13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.497 13.223 -11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.850 13.079 -13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.037 12.409 -14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.712 12.301 -12.782 1.00 0.00 H new ATOM 1484 N ARG A 90 -8.208 9.945 -10.800 1.00 0.00 N ATOM 1485 CA ARG A 90 -7.191 9.665 -9.800 1.00 0.00 C ATOM 1486 C ARG A 90 -7.212 8.182 -9.423 1.00 0.00 C ATOM 1487 O ARG A 90 -8.271 7.559 -9.400 1.00 0.00 O ATOM 1488 CB ARG A 90 -7.410 10.508 -8.542 1.00 0.00 C ATOM 1489 CG ARG A 90 -6.345 11.600 -8.421 1.00 0.00 C ATOM 1490 CD ARG A 90 -6.947 12.894 -7.872 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.872 13.866 -7.572 1.00 0.00 N ATOM 1492 CZ ARG A 90 -6.044 14.977 -6.843 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -7.251 15.264 -6.336 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -5.011 15.801 -6.623 1.00 0.00 N ATOM 0 H ARG A 90 -8.953 9.251 -10.857 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.223 9.920 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.400 10.963 -8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.381 9.867 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.544 11.260 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.899 11.788 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.640 13.319 -8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.520 12.683 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.941 13.678 -7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.037 14.637 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.383 16.109 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.093 15.583 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.142 16.647 -6.068 1.00 0.00 H new ATOM 1508 N MET A 91 -6.028 7.661 -9.136 1.00 0.00 N ATOM 1509 CA MET A 91 -5.896 6.264 -8.760 1.00 0.00 C ATOM 1510 C MET A 91 -4.779 6.075 -7.732 1.00 0.00 C ATOM 1511 O MET A 91 -3.735 6.720 -7.819 1.00 0.00 O ATOM 1512 CB MET A 91 -5.592 5.427 -10.005 1.00 0.00 C ATOM 1513 CG MET A 91 -4.813 4.162 -9.638 1.00 0.00 C ATOM 1514 SD MET A 91 -4.554 3.162 -11.093 1.00 0.00 S ATOM 1515 CE MET A 91 -4.927 1.547 -10.430 1.00 0.00 C ATOM 0 H MET A 91 -5.151 8.182 -9.156 1.00 0.00 H new ATOM 0 HA MET A 91 -6.834 5.938 -8.312 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.524 5.154 -10.500 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.016 6.020 -10.715 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.854 4.431 -9.196 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.361 3.592 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.549 0.780 -11.106 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.454 1.436 -9.454 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.006 1.437 -10.324 1.00 0.00 H new ATOM 1525 N LEU A 92 -5.037 5.188 -6.782 1.00 0.00 N ATOM 1526 CA LEU A 92 -4.066 4.906 -5.739 1.00 0.00 C ATOM 1527 C LEU A 92 -3.206 3.712 -6.157 1.00 0.00 C ATOM 1528 O LEU A 92 -3.660 2.846 -6.904 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.767 4.717 -4.392 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.931 5.976 -3.539 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -6.092 5.824 -2.554 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.623 6.333 -2.830 1.00 0.00 C ATOM 0 H LEU A 92 -5.904 4.656 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.393 5.753 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.755 4.295 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.208 3.981 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.176 6.806 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.187 6.733 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.017 5.653 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.901 4.978 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.768 7.232 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.324 5.509 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.845 6.513 -3.571 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.978 3.703 -5.658 1.00 0.00 N ATOM 1545 CA GLU A 93 -1.051 2.630 -5.971 1.00 0.00 C ATOM 1546 C GLU A 93 -0.277 2.215 -4.717 1.00 0.00 C ATOM 1547 O GLU A 93 0.497 3.000 -4.173 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.095 3.040 -7.093 1.00 0.00 C ATOM 1549 CG GLU A 93 1.085 2.072 -7.190 1.00 0.00 C ATOM 1550 CD GLU A 93 1.759 2.164 -8.561 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.045 2.526 -9.521 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.973 1.871 -8.617 1.00 0.00 O ATOM 0 H GLU A 93 -1.604 4.422 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.625 1.772 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.631 3.062 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.273 4.050 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.810 2.298 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.739 1.053 -7.019 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.514 0.981 -4.297 1.00 0.00 N ATOM 1560 CA ILE A 94 0.150 0.452 -3.118 1.00 0.00 C ATOM 1561 C ILE A 94 1.075 -0.695 -3.531 1.00 0.00 C ATOM 1562 O ILE A 94 0.768 -1.441 -4.459 1.00 0.00 O ATOM 1563 CB ILE A 94 -0.878 0.060 -2.054 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -1.890 1.185 -1.829 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.188 -0.360 -0.754 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -2.857 1.297 -3.009 1.00 0.00 C ATOM 0 H ILE A 94 -1.156 0.332 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 94 0.775 1.217 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.434 -0.804 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.449 0.998 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.364 2.130 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.941 -0.634 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.460 -1.215 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.409 0.469 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.566 2.104 -2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.297 1.508 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.399 0.358 -3.126 1.00 0.00 H new ATOM 1578 N THR A 95 2.189 -0.800 -2.820 1.00 0.00 N ATOM 1579 CA THR A 95 3.160 -1.843 -3.101 1.00 0.00 C ATOM 1580 C THR A 95 3.822 -2.318 -1.806 1.00 0.00 C ATOM 1581 O THR A 95 4.070 -1.521 -0.902 1.00 0.00 O ATOM 1582 CB THR A 95 4.156 -1.298 -4.127 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.265 0.086 -3.804 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.593 -1.305 -5.550 1.00 0.00 C ATOM 0 H THR A 95 2.440 -0.180 -2.050 1.00 0.00 H new ATOM 0 HA THR A 95 2.681 -2.724 -3.527 1.00 0.00 H new ATOM 0 HB THR A 95 5.071 -1.890 -4.095 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.893 0.517 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.339 -0.909 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.341 -2.326 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.697 -0.685 -5.590 1.00 0.00 H new ATOM 1592 N LEU A 96 4.088 -3.615 -1.757 1.00 0.00 N ATOM 1593 CA LEU A 96 4.716 -4.207 -0.587 1.00 0.00 C ATOM 1594 C LEU A 96 6.122 -4.685 -0.955 1.00 0.00 C ATOM 1595 O LEU A 96 6.311 -5.337 -1.981 1.00 0.00 O ATOM 1596 CB LEU A 96 3.827 -5.305 0.000 1.00 0.00 C ATOM 1597 CG LEU A 96 4.196 -5.786 1.405 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.262 -4.615 2.386 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.236 -6.879 1.880 1.00 0.00 C ATOM 0 H LEU A 96 3.880 -4.273 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 96 4.828 -3.464 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.800 -4.941 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.849 -6.162 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 96 5.192 -6.228 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.526 -4.985 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.016 -3.902 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.291 -4.122 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.520 -7.203 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.219 -6.486 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.283 -7.727 1.197 1.00 0.00 H new ATOM 1611 N TRP A 97 7.072 -4.341 -0.098 1.00 0.00 N ATOM 1612 CA TRP A 97 8.455 -4.727 -0.321 1.00 0.00 C ATOM 1613 C TRP A 97 9.058 -5.124 1.028 1.00 0.00 C ATOM 1614 O TRP A 97 8.417 -4.972 2.067 1.00 0.00 O ATOM 1615 CB TRP A 97 9.232 -3.607 -1.016 1.00 0.00 C ATOM 1616 CG TRP A 97 8.361 -2.679 -1.864 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.349 -1.900 -1.459 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.466 -2.463 -3.287 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.796 -1.200 -2.513 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.497 -1.554 -3.660 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.351 -3.018 -4.228 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.321 -1.119 -4.979 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.161 -2.574 -5.542 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.191 -1.659 -5.934 1.00 0.00 C ATOM 0 H TRP A 97 6.912 -3.800 0.751 1.00 0.00 H new ATOM 0 HA TRP A 97 8.513 -5.582 -0.994 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.748 -3.014 -0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.998 -4.051 -1.652 1.00 0.00 H new ATOM 0 HD1 TRP A 97 7.009 -1.829 -0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.017 -0.544 -2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.117 -3.730 -3.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.555 -0.405 -5.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.814 -2.971 -6.305 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.109 -1.366 -6.970 1.00 0.00 H new ATOM 1635 N ASP A 98 10.283 -5.626 0.969 1.00 0.00 N ATOM 1636 CA ASP A 98 10.979 -6.047 2.173 1.00 0.00 C ATOM 1637 C ASP A 98 12.380 -5.433 2.187 1.00 0.00 C ATOM 1638 O ASP A 98 13.223 -5.781 1.362 1.00 0.00 O ATOM 1639 CB ASP A 98 11.129 -7.569 2.219 1.00 0.00 C ATOM 1640 CG ASP A 98 12.362 -8.074 2.971 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.692 -7.451 4.004 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.947 -9.072 2.497 1.00 0.00 O ATOM 0 H ASP A 98 10.812 -5.751 0.106 1.00 0.00 H new ATOM 0 HA ASP A 98 10.396 -5.716 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.239 -7.993 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.165 -7.947 1.197 1.00 0.00 H new ATOM 1647 N GLN A 99 12.586 -4.529 3.134 1.00 0.00 N ATOM 1648 CA GLN A 99 13.870 -3.863 3.267 1.00 0.00 C ATOM 1649 C GLN A 99 14.997 -4.895 3.350 1.00 0.00 C ATOM 1650 O GLN A 99 15.355 -5.343 4.439 1.00 0.00 O ATOM 1651 CB GLN A 99 13.884 -2.937 4.485 1.00 0.00 C ATOM 1652 CG GLN A 99 14.591 -1.619 4.163 1.00 0.00 C ATOM 1653 CD GLN A 99 15.987 -1.577 4.788 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.563 -2.590 5.149 1.00 0.00 O ATOM 1655 NE2 GLN A 99 16.495 -0.353 4.896 1.00 0.00 N ATOM 0 H GLN A 99 11.884 -4.242 3.817 1.00 0.00 H new ATOM 0 HA GLN A 99 14.031 -3.248 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.862 -2.737 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.388 -3.431 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.669 -1.499 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.997 -0.784 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.958 0.452 4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.421 -0.219 5.301 1.00 0.00 H new ATOM 1809 N PHE A 109 10.583 -6.579 -3.787 1.00 0.00 N ATOM 1810 CA PHE A 109 9.214 -6.373 -4.228 1.00 0.00 C ATOM 1811 C PHE A 109 8.368 -7.625 -3.993 1.00 0.00 C ATOM 1812 O PHE A 109 8.495 -8.610 -4.719 1.00 0.00 O ATOM 1813 CB PHE A 109 9.266 -6.081 -5.729 1.00 0.00 C ATOM 1814 CG PHE A 109 7.891 -5.926 -6.380 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.067 -4.913 -5.998 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.491 -6.801 -7.342 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.791 -4.769 -6.603 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.214 -6.657 -7.946 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.391 -5.645 -7.565 1.00 0.00 C ATOM 0 HA PHE A 109 8.763 -5.553 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.839 -5.168 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.804 -6.888 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.384 -4.218 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.145 -7.605 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.137 -3.964 -6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.897 -7.352 -8.709 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.420 -5.536 -8.025 1.00 0.00 H new ATOM 1829 N LEU A 110 7.523 -7.548 -2.975 1.00 0.00 N ATOM 1830 CA LEU A 110 6.656 -8.663 -2.635 1.00 0.00 C ATOM 1831 C LEU A 110 5.485 -8.711 -3.618 1.00 0.00 C ATOM 1832 O LEU A 110 5.007 -9.789 -3.967 1.00 0.00 O ATOM 1833 CB LEU A 110 6.226 -8.580 -1.169 1.00 0.00 C ATOM 1834 CG LEU A 110 7.345 -8.711 -0.133 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.876 -8.235 1.243 1.00 0.00 C ATOM 1836 CD2 LEU A 110 7.888 -10.141 -0.091 1.00 0.00 C ATOM 0 H LEU A 110 7.421 -6.730 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 110 7.193 -9.607 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.723 -7.626 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.491 -9.363 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 110 8.168 -8.063 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.690 -8.339 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.576 -7.189 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.028 -8.838 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.682 -10.207 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.084 -10.828 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.285 -10.408 -1.070 1.00 0.00 H new ATOM 1848 N GLY A 111 5.057 -7.529 -4.037 1.00 0.00 N ATOM 1849 CA GLY A 111 3.950 -7.422 -4.972 1.00 0.00 C ATOM 1850 C GLY A 111 3.480 -5.972 -5.102 1.00 0.00 C ATOM 1851 O GLY A 111 4.103 -5.063 -4.557 1.00 0.00 O ATOM 0 H GLY A 111 5.457 -6.637 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.256 -7.798 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.123 -8.047 -4.635 1.00 0.00 H new ATOM 1855 N GLU A 112 2.384 -5.802 -5.827 1.00 0.00 N ATOM 1856 CA GLU A 112 1.822 -4.478 -6.035 1.00 0.00 C ATOM 1857 C GLU A 112 0.294 -4.544 -6.035 1.00 0.00 C ATOM 1858 O GLU A 112 -0.291 -5.483 -6.572 1.00 0.00 O ATOM 1859 CB GLU A 112 2.345 -3.859 -7.333 1.00 0.00 C ATOM 1860 CG GLU A 112 1.763 -4.574 -8.554 1.00 0.00 C ATOM 1861 CD GLU A 112 2.813 -4.717 -9.658 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.721 -3.858 -9.692 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.685 -5.682 -10.442 1.00 0.00 O ATOM 0 H GLU A 112 1.870 -6.559 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 112 2.138 -3.837 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.083 -2.801 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.433 -3.919 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.399 -5.560 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.906 -4.016 -8.932 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.310 -3.533 -5.427 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.759 -3.464 -5.349 1.00 0.00 C ATOM 1872 C ILE A 113 -2.232 -2.121 -5.909 1.00 0.00 C ATOM 1873 O ILE A 113 -1.917 -1.069 -5.356 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.233 -3.736 -3.920 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.652 -5.048 -3.390 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.760 -3.709 -3.835 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.213 -5.377 -2.005 1.00 0.00 C ATOM 0 H ILE A 113 0.178 -2.755 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.211 -4.243 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.861 -2.937 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.884 -5.858 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.566 -4.974 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.071 -3.905 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.124 -2.729 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.175 -4.473 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.784 -6.314 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.959 -4.577 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.297 -5.474 -2.065 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.980 -2.201 -7.000 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.500 -1.005 -7.640 1.00 0.00 C ATOM 1891 C LEU A 114 -5.005 -0.908 -7.385 1.00 0.00 C ATOM 1892 O LEU A 114 -5.727 -1.894 -7.526 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.125 -0.985 -9.123 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.781 -0.339 -9.467 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -1.977 1.078 -10.008 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.835 -0.368 -8.264 1.00 0.00 C ATOM 0 H LEU A 114 -3.238 -3.076 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.045 -0.114 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.116 -2.012 -9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.909 -0.459 -9.668 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.313 -0.924 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.007 1.515 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.588 1.042 -10.910 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.476 1.689 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.113 0.097 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.284 0.179 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.659 -1.401 -7.964 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.435 0.290 -7.015 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.841 0.528 -6.740 1.00 0.00 C ATOM 1910 C ILE A 115 -7.268 1.845 -7.391 1.00 0.00 C ATOM 1911 O ILE A 115 -6.667 2.889 -7.140 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.110 0.471 -5.234 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.953 -0.955 -4.703 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.481 1.060 -4.899 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.024 -0.988 -3.487 1.00 0.00 C ATOM 0 H ILE A 115 -4.834 1.106 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.453 -0.259 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.364 1.086 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.930 -1.355 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.554 -1.597 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.647 1.007 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.519 2.101 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.256 0.493 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.929 -2.013 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.041 -0.610 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.439 -0.364 -2.695 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.302 1.754 -8.214 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.816 2.925 -8.903 1.00 0.00 C ATOM 1929 C GLU A 116 -9.892 3.609 -8.057 1.00 0.00 C ATOM 1930 O GLU A 116 -10.862 2.974 -7.647 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.359 2.554 -10.285 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.225 2.149 -11.229 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.626 2.361 -12.690 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -8.910 3.528 -13.037 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.640 1.352 -13.427 1.00 0.00 O ATOM 0 H GLU A 116 -8.798 0.887 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.995 3.627 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.070 1.733 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.902 3.400 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.333 2.734 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.968 1.102 -11.067 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.683 4.896 -7.820 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.623 5.674 -7.030 1.00 0.00 C ATOM 1944 C LEU A 117 -12.022 5.543 -7.636 1.00 0.00 C ATOM 1945 O LEU A 117 -13.014 5.492 -6.910 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.143 7.120 -6.897 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.716 7.308 -6.378 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.506 8.730 -5.854 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.372 6.253 -5.324 1.00 0.00 C ATOM 0 H LEU A 117 -8.877 5.419 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.678 5.287 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.219 7.598 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.824 7.648 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.028 7.167 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.484 8.837 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.682 9.444 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.203 8.924 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.352 6.409 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.063 6.338 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.456 5.259 -5.763 1.00 0.00 H new ATOM 1961 N GLU A 118 -12.057 5.494 -8.959 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.317 5.370 -9.671 1.00 0.00 C ATOM 1963 C GLU A 118 -14.113 4.177 -9.138 1.00 0.00 C ATOM 1964 O GLU A 118 -15.285 4.313 -8.791 1.00 0.00 O ATOM 1965 CB GLU A 118 -13.087 5.246 -11.178 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.278 5.800 -11.963 1.00 0.00 C ATOM 1967 CD GLU A 118 -14.059 5.651 -13.470 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -12.909 5.881 -13.901 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -15.047 5.310 -14.156 1.00 0.00 O ATOM 0 H GLU A 118 -11.232 5.538 -9.557 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.898 6.276 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.181 5.785 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.929 4.200 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.187 5.274 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.424 6.851 -11.715 1.00 0.00 H new ATOM 1976 N THR A 119 -13.444 3.034 -9.090 1.00 0.00 N ATOM 1977 CA THR A 119 -14.074 1.818 -8.605 1.00 0.00 C ATOM 1978 C THR A 119 -13.535 1.453 -7.221 1.00 0.00 C ATOM 1979 O THR A 119 -13.542 0.285 -6.836 1.00 0.00 O ATOM 1980 CB THR A 119 -13.854 0.723 -9.651 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.439 0.562 -9.693 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.220 1.180 -11.064 1.00 0.00 C ATOM 0 H THR A 119 -12.472 2.925 -9.379 1.00 0.00 H new ATOM 0 HA THR A 119 -15.148 1.953 -8.475 1.00 0.00 H new ATOM 0 HB THR A 119 -14.447 -0.153 -9.389 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.208 -0.132 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.045 0.365 -11.767 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.272 1.465 -11.093 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.604 2.036 -11.340 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.080 2.475 -6.510 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.539 2.277 -5.177 1.00 0.00 C ATOM 1992 C ALA A 120 -13.677 1.931 -4.214 1.00 0.00 C ATOM 1993 O ALA A 120 -14.848 2.116 -4.541 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.771 3.528 -4.746 1.00 0.00 C ATOM 0 H ALA A 120 -13.075 3.443 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.836 1.444 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.365 3.379 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.955 3.713 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.445 4.385 -4.740 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.293 1.435 -3.047 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.266 1.062 -2.036 1.00 0.00 C ATOM 2002 C LEU A 121 -13.953 1.803 -0.734 1.00 0.00 C ATOM 2003 O LEU A 121 -12.932 1.545 -0.099 1.00 0.00 O ATOM 2004 CB LEU A 121 -14.320 -0.459 -1.879 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.648 -1.252 -3.146 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -14.073 -2.668 -3.070 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -16.155 -1.259 -3.414 1.00 0.00 C ATOM 0 H LEU A 121 -12.321 1.283 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.267 1.364 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -13.357 -0.800 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -15.064 -0.700 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.173 -0.756 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.320 -3.211 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.990 -2.615 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -14.499 -3.188 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -16.361 -1.829 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.672 -1.718 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -16.507 -0.235 -3.542 1.00 0.00 H new ATOM 2019 N LEU A 122 -14.850 2.710 -0.377 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.683 3.491 0.837 1.00 0.00 C ATOM 2021 C LEU A 122 -15.926 3.335 1.715 1.00 0.00 C ATOM 2022 O LEU A 122 -16.859 4.132 1.622 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.348 4.945 0.497 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.901 5.212 -0.941 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -12.756 4.279 -1.342 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -15.083 5.116 -1.909 1.00 0.00 C ATOM 0 H LEU A 122 -15.695 2.922 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.837 3.120 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.226 5.557 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.560 5.282 1.170 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.520 6.232 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.457 4.490 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -11.907 4.438 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.087 3.243 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -14.738 5.310 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.515 4.117 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -15.838 5.853 -1.635 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.900 2.304 2.546 1.00 0.00 N ATOM 2039 CA ASP A 123 -17.013 2.033 3.439 1.00 0.00 C ATOM 2040 C ASP A 123 -16.476 1.510 4.772 1.00 0.00 C ATOM 2041 O ASP A 123 -17.124 0.697 5.431 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.943 0.969 2.853 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.437 1.258 3.009 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.902 2.215 2.352 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -20.081 0.517 3.783 1.00 0.00 O ATOM 0 H ASP A 123 -15.125 1.645 2.620 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.568 2.961 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.719 0.857 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.722 0.013 3.328 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.298 1.997 5.132 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.666 1.589 6.375 1.00 0.00 C ATOM 2052 C ASP A 124 -14.700 0.063 6.482 1.00 0.00 C ATOM 2053 O ASP A 124 -14.855 -0.484 7.573 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.408 2.163 7.584 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.519 2.864 8.614 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.803 3.801 8.201 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.577 2.446 9.790 1.00 0.00 O ATOM 0 H ASP A 124 -14.764 2.671 4.584 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.641 1.960 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -16.156 2.872 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.945 1.354 8.080 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.552 -0.582 5.334 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.563 -2.034 5.284 1.00 0.00 C ATOM 2064 C GLU A 125 -13.208 -2.560 4.806 1.00 0.00 C ATOM 2065 O GLU A 125 -12.746 -2.200 3.724 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.696 -2.544 4.391 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.984 -2.735 5.194 1.00 0.00 C ATOM 2068 CD GLU A 125 -18.201 -2.257 4.399 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -18.232 -2.541 3.183 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -19.073 -1.618 5.027 1.00 0.00 O ATOM 0 H GLU A 125 -14.424 -0.125 4.431 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.741 -2.411 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.871 -1.837 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.405 -3.489 3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.104 -3.787 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.918 -2.183 6.132 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.594 -3.425 5.656 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.302 -4.004 5.331 1.00 0.00 C ATOM 2079 C PRO A 126 -11.441 -5.094 4.267 1.00 0.00 C ATOM 2080 O PRO A 126 -12.199 -6.047 4.445 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.762 -4.528 6.651 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.963 -4.642 7.577 1.00 0.00 C ATOM 2083 CD PRO A 126 -13.113 -3.875 6.945 1.00 0.00 C ATOM 0 HA PRO A 126 -10.615 -3.279 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.278 -5.496 6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.014 -3.851 7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.235 -5.687 7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.727 -4.235 8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.990 -4.509 6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.416 -3.032 7.566 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.699 -4.918 3.184 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.730 -5.875 2.091 1.00 0.00 C ATOM 2093 C HIS A 127 -9.315 -6.391 1.820 1.00 0.00 C ATOM 2094 O HIS A 127 -8.366 -5.611 1.765 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.386 -5.264 0.852 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.863 -4.990 1.010 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.358 -3.769 1.432 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.945 -5.792 0.797 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.680 -3.844 1.469 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -15.042 -5.099 1.076 1.00 0.00 N ATOM 0 H HIS A 127 -10.072 -4.126 3.040 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.344 -6.731 2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -10.878 -4.331 0.608 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -11.240 -5.937 0.007 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -12.800 -2.950 1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.915 -6.817 0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.353 -3.051 1.759 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.219 -7.702 1.657 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.936 -8.332 1.392 1.00 0.00 C ATOM 2110 C TRP A 128 -7.716 -8.337 -0.122 1.00 0.00 C ATOM 2111 O TRP A 128 -8.348 -9.109 -0.842 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.873 -9.729 2.011 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.713 -9.730 3.532 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.671 -9.831 4.463 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.475 -9.621 4.266 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.144 -9.794 5.738 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.766 -9.662 5.614 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.153 -9.491 3.806 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.788 -9.580 6.613 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.187 -9.410 4.816 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.464 -9.451 6.178 1.00 0.00 C ATOM 0 H TRP A 128 -10.009 -8.346 1.703 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.127 -7.771 1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.782 -10.271 1.751 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.039 -10.274 1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.724 -9.929 4.243 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.669 -9.853 6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -4.902 -9.456 2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.042 -9.614 7.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.154 -9.309 4.516 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.661 -9.384 6.897 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.817 -7.468 -0.560 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.505 -7.363 -1.975 1.00 0.00 C ATOM 2134 C TYR A 129 -5.348 -8.291 -2.352 1.00 0.00 C ATOM 2135 O TYR A 129 -4.401 -8.452 -1.583 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.076 -5.913 -2.206 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.146 -4.882 -1.841 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.207 -4.656 -2.695 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.050 -4.177 -0.658 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.214 -3.686 -2.351 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.057 -3.207 -0.315 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.089 -3.009 -1.178 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.040 -2.093 -0.854 1.00 0.00 O ATOM 0 H TYR A 129 -6.295 -6.830 0.040 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.367 -7.645 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.178 -5.713 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.807 -5.787 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.282 -5.207 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.220 -4.353 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.050 -3.500 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.994 -2.649 0.607 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.823 -1.688 0.011 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.462 -8.877 -3.535 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.437 -9.784 -4.023 1.00 0.00 C ATOM 2155 C LYS A 130 -3.232 -8.974 -4.503 1.00 0.00 C ATOM 2156 O LYS A 130 -3.389 -7.875 -5.034 1.00 0.00 O ATOM 2157 CB LYS A 130 -5.013 -10.720 -5.087 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.314 -12.100 -4.499 1.00 0.00 C ATOM 2159 CD LYS A 130 -5.998 -12.998 -5.531 1.00 0.00 C ATOM 2160 CE LYS A 130 -7.060 -13.881 -4.872 1.00 0.00 C ATOM 2161 NZ LYS A 130 -8.217 -14.064 -5.777 1.00 0.00 N ATOM 0 H LYS A 130 -6.249 -8.741 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.086 -10.431 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.926 -10.290 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.306 -10.818 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.388 -12.566 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.954 -11.994 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.460 -12.383 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.254 -13.624 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.630 -14.851 -4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.390 -13.427 -3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.928 -14.666 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.637 -13.138 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.900 -14.517 -6.658 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.055 -9.547 -4.300 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.823 -8.892 -4.706 1.00 0.00 C ATOM 2177 C LEU A 131 -0.432 -9.372 -6.105 1.00 0.00 C ATOM 2178 O LEU A 131 -0.580 -10.551 -6.425 1.00 0.00 O ATOM 2179 CB LEU A 131 0.268 -9.105 -3.655 1.00 0.00 C ATOM 2180 CG LEU A 131 0.167 -8.239 -2.398 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.173 -9.103 -1.135 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.270 -7.178 -2.373 1.00 0.00 C ATOM 0 H LEU A 131 -1.928 -10.458 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 131 -0.967 -7.813 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.254 -10.152 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.236 -8.921 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.786 -7.711 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.100 -8.463 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.676 -9.786 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.099 -9.676 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.175 -6.576 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.245 -7.666 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.177 -6.535 -3.248 1.00 0.00 H new ATOM 2194 N GLN A 132 0.060 -8.435 -6.902 1.00 0.00 N ATOM 2195 CA GLN A 132 0.473 -8.748 -8.259 1.00 0.00 C ATOM 2196 C GLN A 132 1.986 -8.573 -8.407 1.00 0.00 C ATOM 2197 O GLN A 132 2.505 -7.469 -8.248 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.280 -7.886 -9.274 1.00 0.00 C ATOM 2199 CG GLN A 132 -1.793 -8.004 -9.077 1.00 0.00 C ATOM 2200 CD GLN A 132 -2.357 -9.193 -9.858 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.280 -9.263 -11.073 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -2.926 -10.121 -9.093 1.00 0.00 N ATOM 0 H GLN A 132 0.182 -7.459 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 132 0.226 -9.790 -8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.024 -6.845 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -0.016 -8.195 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.017 -8.122 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.279 -7.085 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.956 -9.999 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -3.332 -10.954 -9.519 1.00 0.00 H new