USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.384 K(o=1.2,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -178:sc= 0.788 (180deg=-0.442) USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= -0.385 F(o=-1.1,f=-0.38) USER MOD Set 2.2: A 6 SER OG : rot -97:sc= 0.00996 USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 1.2 (180deg=1.09) USER MOD Single : A 8 SER OG : rot -16:sc= 0.263 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= -0.057 (180deg=-1.08) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.27 K(o=0.27,f=-2.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -151:sc= -0.45 USER MOD Single : A 46 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-8.8!) USER MOD Single : A 50 SER OG : rot 120:sc= -0.145 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.784 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.16) USER MOD Single : A 85 GLN : amide:sc= -0.812! C(o=-0.81!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.301 9.713 -5.088 1.00 0.00 N ATOM 36 CA LYS A 4 8.252 10.469 -4.441 1.00 0.00 C ATOM 37 C LYS A 4 8.786 11.201 -3.233 1.00 0.00 C ATOM 38 O LYS A 4 9.937 10.992 -2.829 1.00 0.00 O ATOM 39 CB LYS A 4 7.063 9.572 -3.997 1.00 0.00 C ATOM 40 CG LYS A 4 7.201 8.871 -2.614 1.00 0.00 C ATOM 41 CD LYS A 4 8.263 7.778 -2.544 1.00 0.00 C ATOM 42 CE LYS A 4 8.324 7.207 -1.125 1.00 0.00 C ATOM 43 NZ LYS A 4 9.295 6.097 -0.955 1.00 0.00 N ATOM 0 HA LYS A 4 7.888 11.182 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.161 10.184 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.913 8.804 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.430 9.627 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.238 8.437 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.030 6.986 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.235 8.184 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.582 8.009 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.332 6.852 -0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.556 6.014 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.864 5.206 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.147 6.291 -1.519 1.00 0.00 H new ATOM 57 N HIS A 5 7.953 12.046 -2.674 1.00 0.00 N ATOM 58 CA HIS A 5 8.244 12.722 -1.425 1.00 0.00 C ATOM 59 C HIS A 5 7.272 12.253 -0.321 1.00 0.00 C ATOM 60 O HIS A 5 7.597 12.302 0.860 1.00 0.00 O ATOM 61 CB HIS A 5 8.210 14.267 -1.593 1.00 0.00 C ATOM 62 CG HIS A 5 6.901 14.832 -2.091 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.842 15.323 -1.407 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 6.565 14.922 -3.417 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 4.853 15.712 -2.310 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 5.350 15.443 -3.510 1.00 0.00 N flip ATOM 0 H HIS A 5 7.046 12.288 -3.073 1.00 0.00 H new ATOM 0 HA HIS A 5 9.257 12.456 -1.122 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.443 14.726 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.000 14.558 -2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.186 14.619 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.889 16.141 -2.081 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.861 15.615 -4.389 1.00 0.00 H new ATOM 74 N SER A 6 6.089 11.781 -0.718 1.00 0.00 N ATOM 75 CA SER A 6 5.081 11.327 0.230 1.00 0.00 C ATOM 76 C SER A 6 4.105 10.403 -0.484 1.00 0.00 C ATOM 77 O SER A 6 4.223 10.204 -1.704 1.00 0.00 O ATOM 78 CB SER A 6 4.311 12.530 0.764 1.00 0.00 C ATOM 79 OG SER A 6 3.610 13.184 -0.289 1.00 0.00 O ATOM 0 H SER A 6 5.809 11.705 -1.696 1.00 0.00 H new ATOM 0 HA SER A 6 5.566 10.800 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.607 12.207 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.000 13.229 1.238 1.00 0.00 H new ATOM 0 HG SER A 6 4.134 13.950 -0.605 1.00 0.00 H new ATOM 85 N ILE A 7 3.132 9.861 0.252 1.00 0.00 N ATOM 86 CA ILE A 7 2.093 9.034 -0.345 1.00 0.00 C ATOM 87 C ILE A 7 1.145 9.915 -1.169 1.00 0.00 C ATOM 88 O ILE A 7 0.487 9.452 -2.078 1.00 0.00 O ATOM 89 CB ILE A 7 1.273 8.230 0.715 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.435 7.152 0.009 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.384 9.153 1.551 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.310 6.236 0.938 1.00 0.00 C ATOM 0 H ILE A 7 3.046 9.983 1.261 1.00 0.00 H new ATOM 0 HA ILE A 7 2.591 8.305 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 7 1.970 7.747 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.281 7.641 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.092 6.553 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.172 8.562 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.005 9.881 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.315 9.675 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.874 5.507 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.399 5.715 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.996 6.820 1.552 1.00 0.00 H new ATOM 104 N SER A 8 1.143 11.205 -0.867 1.00 0.00 N ATOM 105 CA SER A 8 0.301 12.148 -1.552 1.00 0.00 C ATOM 106 C SER A 8 0.887 12.465 -2.926 1.00 0.00 C ATOM 107 O SER A 8 0.267 13.155 -3.730 1.00 0.00 O ATOM 108 CB SER A 8 0.108 13.421 -0.698 1.00 0.00 C ATOM 109 OG SER A 8 -0.671 14.398 -1.372 1.00 0.00 O ATOM 0 H SER A 8 1.728 11.617 -0.140 1.00 0.00 H new ATOM 0 HA SER A 8 -0.685 11.709 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.375 13.157 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.082 13.842 -0.449 1.00 0.00 H new ATOM 0 HG SER A 8 -0.717 14.179 -2.326 1.00 0.00 H new ATOM 115 N ASP A 9 2.095 11.979 -3.180 1.00 0.00 N ATOM 116 CA ASP A 9 2.686 12.129 -4.488 1.00 0.00 C ATOM 117 C ASP A 9 2.287 10.935 -5.366 1.00 0.00 C ATOM 118 O ASP A 9 2.360 10.982 -6.596 1.00 0.00 O ATOM 119 CB ASP A 9 4.196 12.279 -4.388 1.00 0.00 C ATOM 120 CG ASP A 9 4.861 12.527 -5.726 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.443 13.442 -6.470 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.847 11.864 -6.031 1.00 0.00 O ATOM 0 H ASP A 9 2.673 11.484 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 9 2.310 13.040 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.429 13.104 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.616 11.377 -3.943 1.00 0.00 H new ATOM 127 N TYR A 10 1.818 9.891 -4.719 1.00 0.00 N ATOM 128 CA TYR A 10 1.313 8.713 -5.390 1.00 0.00 C ATOM 129 C TYR A 10 -0.152 8.875 -5.641 1.00 0.00 C ATOM 130 O TYR A 10 -0.870 9.379 -4.792 1.00 0.00 O ATOM 131 CB TYR A 10 1.476 7.454 -4.528 1.00 0.00 C ATOM 132 CG TYR A 10 2.805 6.769 -4.589 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.832 7.096 -3.730 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.015 5.756 -5.504 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.036 6.430 -3.791 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.205 5.086 -5.569 1.00 0.00 C ATOM 137 CZ TYR A 10 5.215 5.422 -4.715 1.00 0.00 C ATOM 138 OH TYR A 10 6.407 4.750 -4.782 1.00 0.00 O ATOM 0 H TYR A 10 1.776 9.835 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 10 1.879 8.603 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.279 7.723 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.709 6.737 -4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.691 7.882 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.220 5.487 -6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.837 6.696 -3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.345 4.296 -6.292 1.00 0.00 H new ATOM 0 HH TYR A 10 6.361 4.071 -5.488 1.00 0.00 H new ATOM 148 N THR A 11 -0.605 8.474 -6.780 1.00 0.00 N ATOM 149 CA THR A 11 -2.006 8.432 -7.013 1.00 0.00 C ATOM 150 C THR A 11 -2.471 7.080 -6.489 1.00 0.00 C ATOM 151 O THR A 11 -1.613 6.220 -6.180 1.00 0.00 O ATOM 152 CB THR A 11 -2.314 8.553 -8.516 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.699 7.472 -9.229 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.800 9.878 -9.071 1.00 0.00 C ATOM 0 H THR A 11 -0.025 8.171 -7.563 1.00 0.00 H new ATOM 0 HA THR A 11 -2.515 9.258 -6.517 1.00 0.00 H new ATOM 0 HB THR A 11 -3.396 8.513 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.900 7.554 -10.185 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.029 9.940 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.282 10.703 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.721 9.938 -8.928 1.00 0.00 H new ATOM 162 N GLU A 12 -3.766 6.857 -6.386 1.00 0.00 N ATOM 163 CA GLU A 12 -4.264 5.577 -5.914 1.00 0.00 C ATOM 164 C GLU A 12 -3.794 4.483 -6.872 1.00 0.00 C ATOM 165 O GLU A 12 -3.423 3.407 -6.458 1.00 0.00 O ATOM 166 CB GLU A 12 -5.789 5.581 -5.831 1.00 0.00 C ATOM 167 CG GLU A 12 -6.375 4.354 -5.151 1.00 0.00 C ATOM 168 CD GLU A 12 -7.870 4.328 -5.226 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.526 5.242 -4.680 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.429 3.404 -5.850 1.00 0.00 O ATOM 0 H GLU A 12 -4.489 7.538 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.876 5.389 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.111 6.471 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.197 5.655 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.973 3.455 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.065 4.336 -4.106 1.00 0.00 H new ATOM 177 N ALA A 13 -3.750 4.822 -8.149 1.00 0.00 N ATOM 178 CA ALA A 13 -3.317 3.906 -9.197 1.00 0.00 C ATOM 179 C ALA A 13 -1.832 3.538 -9.060 1.00 0.00 C ATOM 180 O ALA A 13 -1.477 2.357 -9.149 1.00 0.00 O ATOM 181 CB ALA A 13 -3.606 4.492 -10.568 1.00 0.00 C ATOM 0 H ALA A 13 -4.015 5.745 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.888 2.984 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.276 3.795 -11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.677 4.666 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.072 5.436 -10.680 1.00 0.00 H new ATOM 187 N GLU A 14 -0.974 4.540 -8.814 1.00 0.00 N ATOM 188 CA GLU A 14 0.483 4.303 -8.633 1.00 0.00 C ATOM 189 C GLU A 14 0.728 3.522 -7.368 1.00 0.00 C ATOM 190 O GLU A 14 1.619 2.670 -7.297 1.00 0.00 O ATOM 191 CB GLU A 14 1.269 5.619 -8.562 1.00 0.00 C ATOM 192 CG GLU A 14 1.197 6.488 -9.795 1.00 0.00 C ATOM 193 CD GLU A 14 1.684 5.788 -11.023 1.00 0.00 C ATOM 194 OE1 GLU A 14 2.869 5.460 -11.099 1.00 0.00 O ATOM 195 OE2 GLU A 14 0.876 5.554 -11.939 1.00 0.00 O ATOM 0 H GLU A 14 -1.252 5.518 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 14 0.828 3.738 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.903 6.195 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.315 5.387 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.167 6.809 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.790 7.388 -9.635 1.00 0.00 H new ATOM 202 N PHE A 15 -0.058 3.814 -6.376 1.00 0.00 N ATOM 203 CA PHE A 15 0.010 3.126 -5.125 1.00 0.00 C ATOM 204 C PHE A 15 -0.504 1.725 -5.295 1.00 0.00 C ATOM 205 O PHE A 15 -0.052 0.827 -4.672 1.00 0.00 O ATOM 206 CB PHE A 15 -0.767 3.876 -4.067 1.00 0.00 C ATOM 207 CG PHE A 15 -0.662 3.272 -2.719 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.420 3.555 -1.916 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.645 2.421 -2.250 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.522 3.005 -0.672 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.551 1.870 -1.009 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.467 2.162 -0.220 1.00 0.00 C ATOM 0 H PHE A 15 -0.770 4.543 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 15 1.047 3.075 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.409 4.905 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.817 3.916 -4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.194 4.218 -2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.496 2.191 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.373 3.230 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.324 1.208 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.389 1.726 0.765 1.00 0.00 H new ATOM 222 N LEU A 16 -1.435 1.550 -6.147 1.00 0.00 N ATOM 223 CA LEU A 16 -1.971 0.244 -6.408 1.00 0.00 C ATOM 224 C LEU A 16 -0.947 -0.601 -7.138 1.00 0.00 C ATOM 225 O LEU A 16 -0.978 -1.828 -7.105 1.00 0.00 O ATOM 226 CB LEU A 16 -3.303 0.395 -7.129 1.00 0.00 C ATOM 227 CG LEU A 16 -4.158 -0.811 -7.201 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.607 -0.408 -7.233 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.865 -1.601 -8.412 1.00 0.00 C ATOM 0 H LEU A 16 -1.859 2.300 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.179 -0.295 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.869 1.185 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.104 0.732 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.950 -1.419 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.232 -1.300 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.849 0.151 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.792 0.217 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.508 -2.480 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.048 -0.992 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.821 -1.915 -8.398 1.00 0.00 H new ATOM 241 N GLU A 17 -0.047 0.050 -7.760 1.00 0.00 N ATOM 242 CA GLU A 17 1.075 -0.626 -8.310 1.00 0.00 C ATOM 243 C GLU A 17 2.087 -0.987 -7.218 1.00 0.00 C ATOM 244 O GLU A 17 2.883 -1.868 -7.429 1.00 0.00 O ATOM 245 CB GLU A 17 1.762 0.105 -9.452 1.00 0.00 C ATOM 246 CG GLU A 17 0.929 0.248 -10.703 1.00 0.00 C ATOM 247 CD GLU A 17 1.784 0.570 -11.899 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.136 1.737 -12.110 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.146 -0.358 -12.647 1.00 0.00 O ATOM 0 H GLU A 17 -0.058 1.059 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 17 0.668 -1.536 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.050 1.099 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.681 -0.424 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.381 -0.676 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.189 1.035 -10.561 1.00 0.00 H new ATOM 256 N PHE A 18 2.036 -0.298 -6.041 1.00 0.00 N ATOM 257 CA PHE A 18 2.963 -0.600 -4.894 1.00 0.00 C ATOM 258 C PHE A 18 2.865 -2.053 -4.582 1.00 0.00 C ATOM 259 O PHE A 18 3.846 -2.779 -4.565 1.00 0.00 O ATOM 260 CB PHE A 18 2.638 0.249 -3.554 1.00 0.00 C ATOM 261 CG PHE A 18 1.893 -0.483 -2.328 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.489 -0.588 -2.241 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.620 -1.055 -1.291 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.132 -1.243 -1.152 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.996 -1.699 -0.221 1.00 0.00 C ATOM 266 CZ PHE A 18 0.630 -1.791 -0.159 1.00 0.00 C ATOM 0 H PHE A 18 1.377 0.459 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 18 3.967 -0.315 -5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.582 0.644 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.029 1.104 -3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.123 -0.160 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.698 -1.000 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.209 -1.310 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.596 -2.130 0.567 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.158 -2.295 0.671 1.00 0.00 H new ATOM 276 N VAL A 19 1.658 -2.459 -4.424 1.00 0.00 N ATOM 277 CA VAL A 19 1.331 -3.773 -4.002 1.00 0.00 C ATOM 278 C VAL A 19 1.578 -4.800 -5.099 1.00 0.00 C ATOM 279 O VAL A 19 2.096 -5.892 -4.832 1.00 0.00 O ATOM 280 CB VAL A 19 -0.113 -3.813 -3.445 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.121 -3.326 -4.447 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.464 -5.163 -2.873 1.00 0.00 C ATOM 0 H VAL A 19 0.844 -1.867 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 19 1.999 -4.053 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.150 -3.111 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.119 -3.373 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.893 -2.296 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.084 -3.956 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.486 -5.143 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.380 -5.921 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.220 -5.402 -2.059 1.00 0.00 H new ATOM 292 N LYS A 20 1.248 -4.437 -6.326 1.00 0.00 N ATOM 293 CA LYS A 20 1.508 -5.306 -7.455 1.00 0.00 C ATOM 294 C LYS A 20 3.010 -5.519 -7.588 1.00 0.00 C ATOM 295 O LYS A 20 3.484 -6.629 -7.824 1.00 0.00 O ATOM 296 CB LYS A 20 0.972 -4.715 -8.745 1.00 0.00 C ATOM 297 CG LYS A 20 -0.520 -4.577 -8.766 1.00 0.00 C ATOM 298 CD LYS A 20 -0.998 -4.191 -10.126 1.00 0.00 C ATOM 299 CE LYS A 20 -2.500 -4.111 -10.208 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.963 -3.924 -11.595 1.00 0.00 N ATOM 0 H LYS A 20 0.802 -3.551 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 20 1.002 -6.255 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.422 -3.734 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.282 -5.344 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.981 -5.519 -8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.830 -3.826 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.571 -3.226 -10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.636 -4.916 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.935 -5.023 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.854 -3.285 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.002 -3.874 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.568 -3.041 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.647 -4.725 -12.178 1.00 0.00 H new ATOM 314 N LYS A 21 3.742 -4.432 -7.392 1.00 0.00 N ATOM 315 CA LYS A 21 5.181 -4.419 -7.437 1.00 0.00 C ATOM 316 C LYS A 21 5.756 -5.318 -6.371 1.00 0.00 C ATOM 317 O LYS A 21 6.604 -6.104 -6.659 1.00 0.00 O ATOM 318 CB LYS A 21 5.711 -2.981 -7.308 1.00 0.00 C ATOM 319 CG LYS A 21 7.222 -2.847 -7.244 1.00 0.00 C ATOM 320 CD LYS A 21 7.650 -1.390 -7.355 1.00 0.00 C ATOM 321 CE LYS A 21 7.072 -0.507 -6.263 1.00 0.00 C ATOM 322 NZ LYS A 21 7.483 0.901 -6.442 1.00 0.00 N ATOM 0 H LYS A 21 3.334 -3.518 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 21 5.503 -4.807 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.347 -2.400 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.285 -2.534 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.588 -3.266 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.676 -3.425 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.738 -1.335 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.343 -1.002 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.984 -0.575 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.404 -0.865 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.985 1.227 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.113 0.977 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.641 1.492 -6.594 1.00 0.00 H new ATOM 336 N ILE A 22 5.261 -5.227 -5.156 1.00 0.00 N ATOM 337 CA ILE A 22 5.749 -6.088 -4.073 1.00 0.00 C ATOM 338 C ILE A 22 5.530 -7.561 -4.432 1.00 0.00 C ATOM 339 O ILE A 22 6.418 -8.391 -4.270 1.00 0.00 O ATOM 340 CB ILE A 22 5.049 -5.769 -2.726 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.257 -4.297 -2.377 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.593 -6.665 -1.608 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.580 -3.854 -1.117 1.00 0.00 C ATOM 0 H ILE A 22 4.526 -4.574 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 22 6.815 -5.894 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 22 3.982 -5.966 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.326 -4.106 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.894 -3.686 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.089 -6.425 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.413 -7.710 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.664 -6.498 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.782 -2.796 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.505 -4.008 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.960 -4.435 -0.276 1.00 0.00 H new ATOM 355 N CYS A 23 4.374 -7.844 -4.993 1.00 0.00 N ATOM 356 CA CYS A 23 3.991 -9.187 -5.376 1.00 0.00 C ATOM 357 C CYS A 23 4.935 -9.758 -6.470 1.00 0.00 C ATOM 358 O CYS A 23 5.315 -10.919 -6.421 1.00 0.00 O ATOM 359 CB CYS A 23 2.527 -9.176 -5.858 1.00 0.00 C ATOM 360 SG CYS A 23 1.798 -10.796 -6.209 1.00 0.00 S ATOM 0 H CYS A 23 3.665 -7.140 -5.199 1.00 0.00 H new ATOM 0 HA CYS A 23 4.081 -9.841 -4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.919 -8.682 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.467 -8.569 -6.761 1.00 0.00 H new ATOM 0 HG CYS A 23 0.568 -10.643 -6.602 1.00 0.00 H new ATOM 366 N ARG A 24 5.344 -8.922 -7.416 1.00 0.00 N ATOM 367 CA ARG A 24 6.167 -9.385 -8.539 1.00 0.00 C ATOM 368 C ARG A 24 7.675 -9.140 -8.357 1.00 0.00 C ATOM 369 O ARG A 24 8.491 -9.930 -8.796 1.00 0.00 O ATOM 370 CB ARG A 24 5.712 -8.728 -9.831 1.00 0.00 C ATOM 371 CG ARG A 24 5.845 -7.236 -9.828 1.00 0.00 C ATOM 372 CD ARG A 24 5.432 -6.662 -11.130 1.00 0.00 C ATOM 373 NE ARG A 24 6.304 -7.090 -12.226 1.00 0.00 N ATOM 374 CZ ARG A 24 6.173 -6.737 -13.508 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.187 -5.925 -13.892 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.045 -7.202 -14.399 1.00 0.00 N ATOM 0 H ARG A 24 5.124 -7.926 -7.434 1.00 0.00 H new ATOM 0 HA ARG A 24 6.025 -10.465 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.293 -9.134 -10.659 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.670 -8.991 -10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.233 -6.815 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.878 -6.960 -9.617 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.406 -6.960 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.441 -5.574 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 24 7.078 -7.711 -11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.524 -5.567 -13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.096 -5.662 -14.873 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.800 -7.819 -14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.958 -6.942 -15.381 1.00 0.00 H new ATOM 390 N ALA A 25 8.017 -8.065 -7.696 1.00 0.00 N ATOM 391 CA ALA A 25 9.390 -7.572 -7.583 1.00 0.00 C ATOM 392 C ALA A 25 10.002 -7.900 -6.230 1.00 0.00 C ATOM 393 O ALA A 25 10.923 -7.217 -5.784 1.00 0.00 O ATOM 394 CB ALA A 25 9.431 -6.071 -7.837 1.00 0.00 C ATOM 0 H ALA A 25 7.339 -7.483 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 25 9.987 -8.080 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.458 -5.715 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.058 -5.861 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.807 -5.561 -7.103 1.00 0.00 H new ATOM 400 N GLU A 26 9.452 -8.928 -5.585 1.00 0.00 N ATOM 401 CA GLU A 26 9.843 -9.425 -4.235 1.00 0.00 C ATOM 402 C GLU A 26 11.379 -9.541 -3.997 1.00 0.00 C ATOM 403 O GLU A 26 11.828 -9.631 -2.852 1.00 0.00 O ATOM 404 CB GLU A 26 9.192 -10.785 -3.995 1.00 0.00 C ATOM 405 CG GLU A 26 9.547 -11.827 -5.049 1.00 0.00 C ATOM 406 CD GLU A 26 9.018 -13.186 -4.716 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.641 -13.882 -3.898 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.978 -13.601 -5.284 1.00 0.00 O ATOM 0 H GLU A 26 8.690 -9.470 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 26 9.490 -8.675 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.494 -11.155 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.109 -10.661 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.149 -11.513 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.631 -11.879 -5.153 1.00 0.00 H new ATOM 415 N GLY A 27 12.145 -9.625 -5.053 1.00 0.00 N ATOM 416 CA GLY A 27 13.569 -9.612 -4.935 1.00 0.00 C ATOM 417 C GLY A 27 14.152 -10.981 -4.779 1.00 0.00 C ATOM 418 O GLY A 27 13.549 -11.974 -5.201 1.00 0.00 O ATOM 0 H GLY A 27 11.798 -9.704 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.998 -9.138 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.852 -9.002 -4.077 1.00 0.00 H new ATOM 422 N ALA A 28 15.311 -11.051 -4.162 1.00 0.00 N ATOM 423 CA ALA A 28 16.003 -12.313 -3.990 1.00 0.00 C ATOM 424 C ALA A 28 15.495 -13.051 -2.769 1.00 0.00 C ATOM 425 O ALA A 28 15.316 -14.273 -2.790 1.00 0.00 O ATOM 426 CB ALA A 28 17.491 -12.094 -3.879 1.00 0.00 C ATOM 0 H ALA A 28 15.797 -10.245 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 28 15.802 -12.924 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.991 -13.054 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.857 -11.613 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.702 -11.457 -3.020 1.00 0.00 H new ATOM 432 N THR A 29 15.266 -12.323 -1.724 1.00 0.00 N ATOM 433 CA THR A 29 14.793 -12.881 -0.501 1.00 0.00 C ATOM 434 C THR A 29 13.673 -11.962 -0.008 1.00 0.00 C ATOM 435 O THR A 29 13.548 -10.831 -0.501 1.00 0.00 O ATOM 436 CB THR A 29 15.947 -12.911 0.530 1.00 0.00 C ATOM 437 OG1 THR A 29 17.153 -13.409 -0.097 1.00 0.00 O ATOM 438 CG2 THR A 29 15.620 -13.800 1.719 1.00 0.00 C ATOM 0 H THR A 29 15.404 -11.313 -1.697 1.00 0.00 H new ATOM 0 HA THR A 29 14.431 -13.900 -0.637 1.00 0.00 H new ATOM 0 HB THR A 29 16.090 -11.891 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.881 -13.424 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.456 -13.793 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.726 -13.426 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.444 -14.819 1.374 1.00 0.00 H new ATOM 446 N GLU A 30 12.883 -12.414 0.954 1.00 0.00 N ATOM 447 CA GLU A 30 11.766 -11.627 1.468 1.00 0.00 C ATOM 448 C GLU A 30 12.223 -10.346 2.184 1.00 0.00 C ATOM 449 O GLU A 30 11.410 -9.501 2.529 1.00 0.00 O ATOM 450 CB GLU A 30 10.852 -12.460 2.365 1.00 0.00 C ATOM 451 CG GLU A 30 11.515 -13.026 3.610 1.00 0.00 C ATOM 452 CD GLU A 30 10.531 -13.759 4.477 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.864 -13.112 5.323 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.386 -14.983 4.326 1.00 0.00 O ATOM 0 H GLU A 30 12.993 -13.326 1.398 1.00 0.00 H new ATOM 0 HA GLU A 30 11.189 -11.315 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.007 -11.843 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.448 -13.286 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.319 -13.702 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.970 -12.216 4.180 1.00 0.00 H new ATOM 461 N GLU A 31 13.518 -10.201 2.393 1.00 0.00 N ATOM 462 CA GLU A 31 14.039 -8.999 2.986 1.00 0.00 C ATOM 463 C GLU A 31 13.963 -7.823 2.011 1.00 0.00 C ATOM 464 O GLU A 31 13.778 -6.679 2.422 1.00 0.00 O ATOM 465 CB GLU A 31 15.456 -9.200 3.601 1.00 0.00 C ATOM 466 CG GLU A 31 16.492 -9.962 2.748 1.00 0.00 C ATOM 467 CD GLU A 31 16.809 -9.320 1.426 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.412 -8.238 1.406 1.00 0.00 O ATOM 469 OE2 GLU A 31 16.468 -9.900 0.387 1.00 0.00 O ATOM 0 H GLU A 31 14.221 -10.902 2.159 1.00 0.00 H new ATOM 0 HA GLU A 31 13.398 -8.746 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.866 -8.217 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.342 -9.729 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.414 -10.058 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.122 -10.971 2.567 1.00 0.00 H new ATOM 476 N ASP A 32 14.108 -8.108 0.726 1.00 0.00 N ATOM 477 CA ASP A 32 13.989 -7.086 -0.305 1.00 0.00 C ATOM 478 C ASP A 32 12.516 -6.761 -0.515 1.00 0.00 C ATOM 479 O ASP A 32 12.131 -5.607 -0.710 1.00 0.00 O ATOM 480 CB ASP A 32 14.661 -7.532 -1.601 1.00 0.00 C ATOM 481 CG ASP A 32 14.744 -6.420 -2.619 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.298 -5.343 -2.305 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.283 -6.593 -3.753 1.00 0.00 O ATOM 0 H ASP A 32 14.309 -9.043 0.370 1.00 0.00 H new ATOM 0 HA ASP A 32 14.505 -6.182 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.665 -7.894 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.106 -8.369 -2.025 1.00 0.00 H new ATOM 488 N ASP A 33 11.711 -7.806 -0.422 1.00 0.00 N ATOM 489 CA ASP A 33 10.239 -7.738 -0.465 1.00 0.00 C ATOM 490 C ASP A 33 9.741 -6.779 0.621 1.00 0.00 C ATOM 491 O ASP A 33 9.113 -5.748 0.333 1.00 0.00 O ATOM 492 CB ASP A 33 9.682 -9.157 -0.205 1.00 0.00 C ATOM 493 CG ASP A 33 8.168 -9.257 -0.091 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.608 -8.828 0.925 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.524 -9.840 -0.987 1.00 0.00 O ATOM 0 H ASP A 33 12.062 -8.757 -0.311 1.00 0.00 H new ATOM 0 HA ASP A 33 9.903 -7.376 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.012 -9.811 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.124 -9.539 0.715 1.00 0.00 H new ATOM 500 N ASN A 34 10.102 -7.090 1.864 1.00 0.00 N ATOM 501 CA ASN A 34 9.711 -6.316 3.026 1.00 0.00 C ATOM 502 C ASN A 34 10.289 -4.908 2.969 1.00 0.00 C ATOM 503 O ASN A 34 9.709 -3.988 3.498 1.00 0.00 O ATOM 504 CB ASN A 34 10.175 -7.022 4.297 1.00 0.00 C ATOM 505 CG ASN A 34 9.763 -6.325 5.584 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.703 -5.685 5.684 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.594 -6.431 6.571 1.00 0.00 N ATOM 0 H ASN A 34 10.682 -7.898 2.089 1.00 0.00 H new ATOM 0 HA ASN A 34 8.624 -6.234 3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.775 -8.036 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.261 -7.108 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.386 -5.982 7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.456 -6.964 6.457 1.00 0.00 H new ATOM 514 N LYS A 35 11.403 -4.740 2.269 1.00 0.00 N ATOM 515 CA LYS A 35 12.054 -3.478 2.134 1.00 0.00 C ATOM 516 C LYS A 35 11.161 -2.510 1.360 1.00 0.00 C ATOM 517 O LYS A 35 11.111 -1.308 1.662 1.00 0.00 O ATOM 518 CB LYS A 35 13.392 -3.711 1.451 1.00 0.00 C ATOM 519 CG LYS A 35 14.030 -2.504 0.878 1.00 0.00 C ATOM 520 CD LYS A 35 15.358 -2.859 0.249 1.00 0.00 C ATOM 521 CE LYS A 35 16.034 -1.659 -0.372 1.00 0.00 C ATOM 522 NZ LYS A 35 17.343 -2.017 -0.956 1.00 0.00 N ATOM 0 H LYS A 35 11.874 -5.500 1.777 1.00 0.00 H new ATOM 0 HA LYS A 35 12.236 -3.021 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.077 -4.156 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.252 -4.441 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.374 -2.058 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.178 -1.758 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.013 -3.291 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.204 -3.623 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.392 -1.238 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.171 -0.886 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.780 -1.171 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.963 -2.395 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.209 -2.737 -1.694 1.00 0.00 H new ATOM 536 N LEU A 36 10.433 -3.041 0.393 1.00 0.00 N ATOM 537 CA LEU A 36 9.477 -2.241 -0.328 1.00 0.00 C ATOM 538 C LEU A 36 8.317 -1.942 0.585 1.00 0.00 C ATOM 539 O LEU A 36 7.919 -0.797 0.732 1.00 0.00 O ATOM 540 CB LEU A 36 8.989 -2.942 -1.603 1.00 0.00 C ATOM 541 CG LEU A 36 10.056 -3.221 -2.657 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.442 -3.904 -3.867 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.750 -1.926 -3.061 1.00 0.00 C ATOM 0 H LEU A 36 10.489 -4.015 0.096 1.00 0.00 H new ATOM 0 HA LEU A 36 9.960 -1.315 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.528 -3.888 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.209 -2.330 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 36 10.802 -3.892 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.217 -4.096 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.990 -4.848 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.677 -3.259 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.509 -2.139 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.016 -1.233 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.222 -1.478 -2.187 1.00 0.00 H new ATOM 555 N VAL A 37 7.837 -2.980 1.255 1.00 0.00 N ATOM 556 CA VAL A 37 6.719 -2.867 2.195 1.00 0.00 C ATOM 557 C VAL A 37 7.002 -1.777 3.243 1.00 0.00 C ATOM 558 O VAL A 37 6.130 -0.986 3.563 1.00 0.00 O ATOM 559 CB VAL A 37 6.453 -4.206 2.943 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.226 -4.083 3.817 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.295 -5.373 1.984 1.00 0.00 C ATOM 0 H VAL A 37 8.208 -3.926 1.166 1.00 0.00 H new ATOM 0 HA VAL A 37 5.839 -2.608 1.606 1.00 0.00 H new ATOM 0 HB VAL A 37 7.324 -4.408 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.052 -5.027 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.379 -3.291 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.361 -3.843 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.111 -6.286 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.454 -5.184 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.206 -5.487 1.397 1.00 0.00 H new ATOM 571 N ARG A 38 8.242 -1.733 3.731 1.00 0.00 N ATOM 572 CA ARG A 38 8.666 -0.772 4.749 1.00 0.00 C ATOM 573 C ARG A 38 8.365 0.660 4.328 1.00 0.00 C ATOM 574 O ARG A 38 7.732 1.396 5.076 1.00 0.00 O ATOM 575 CB ARG A 38 10.179 -0.864 5.060 1.00 0.00 C ATOM 576 CG ARG A 38 10.725 -2.171 5.657 1.00 0.00 C ATOM 577 CD ARG A 38 10.172 -2.490 7.037 1.00 0.00 C ATOM 578 NE ARG A 38 8.799 -3.000 6.997 1.00 0.00 N ATOM 579 CZ ARG A 38 7.831 -2.664 7.857 1.00 0.00 C ATOM 580 NH1 ARG A 38 8.063 -1.775 8.825 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.642 -3.225 7.761 1.00 0.00 N ATOM 0 H ARG A 38 8.983 -2.366 3.430 1.00 0.00 H new ATOM 0 HA ARG A 38 8.098 -1.031 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.721 -0.670 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.426 -0.056 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.491 -2.994 4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.811 -2.107 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.814 -3.227 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.202 -1.591 7.652 1.00 0.00 H new ATOM 0 HE ARG A 38 8.563 -3.661 6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.984 -1.346 8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.319 -1.525 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.461 -3.915 7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.903 -2.970 8.416 1.00 0.00 H new ATOM 595 N GLU A 39 8.797 1.045 3.120 1.00 0.00 N ATOM 596 CA GLU A 39 8.636 2.427 2.681 1.00 0.00 C ATOM 597 C GLU A 39 7.168 2.760 2.505 1.00 0.00 C ATOM 598 O GLU A 39 6.710 3.830 2.908 1.00 0.00 O ATOM 599 CB GLU A 39 9.430 2.758 1.390 1.00 0.00 C ATOM 600 CG GLU A 39 8.958 2.062 0.125 1.00 0.00 C ATOM 601 CD GLU A 39 9.637 2.597 -1.099 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.730 2.110 -1.457 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.109 3.540 -1.722 1.00 0.00 O ATOM 0 H GLU A 39 9.251 0.429 2.445 1.00 0.00 H new ATOM 0 HA GLU A 39 9.057 3.052 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.388 3.835 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.477 2.501 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.150 0.992 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.880 2.186 0.024 1.00 0.00 H new ATOM 610 N PHE A 40 6.426 1.815 1.969 1.00 0.00 N ATOM 611 CA PHE A 40 5.028 2.013 1.719 1.00 0.00 C ATOM 612 C PHE A 40 4.239 2.078 3.010 1.00 0.00 C ATOM 613 O PHE A 40 3.361 2.910 3.150 1.00 0.00 O ATOM 614 CB PHE A 40 4.482 0.968 0.760 1.00 0.00 C ATOM 615 CG PHE A 40 5.079 1.058 -0.629 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.862 2.171 -1.423 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.838 0.024 -1.141 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.394 2.248 -2.694 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.374 0.094 -2.407 1.00 0.00 C ATOM 620 CZ PHE A 40 6.154 1.205 -3.183 1.00 0.00 C ATOM 0 H PHE A 40 6.778 0.897 1.698 1.00 0.00 H new ATOM 0 HA PHE A 40 4.911 2.980 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.675 -0.025 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.400 1.079 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.269 2.990 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.014 -0.854 -0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.216 3.121 -3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.967 -0.724 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.576 1.263 -4.176 1.00 0.00 H new ATOM 630 N GLU A 41 4.604 1.256 3.973 1.00 0.00 N ATOM 631 CA GLU A 41 3.951 1.274 5.257 1.00 0.00 C ATOM 632 C GLU A 41 4.235 2.511 6.074 1.00 0.00 C ATOM 633 O GLU A 41 3.490 2.844 6.997 1.00 0.00 O ATOM 634 CB GLU A 41 4.121 -0.030 6.014 1.00 0.00 C ATOM 635 CG GLU A 41 3.189 -1.047 5.417 1.00 0.00 C ATOM 636 CD GLU A 41 1.807 -0.442 5.363 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.216 -0.270 6.448 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.319 -0.092 4.283 1.00 0.00 O ATOM 0 H GLU A 41 5.351 0.567 3.886 1.00 0.00 H new ATOM 0 HA GLU A 41 2.884 1.348 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.153 -0.376 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.900 0.113 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.521 -1.327 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.183 -1.957 6.018 1.00 0.00 H new ATOM 645 N ARG A 42 5.290 3.210 5.730 1.00 0.00 N ATOM 646 CA ARG A 42 5.565 4.499 6.338 1.00 0.00 C ATOM 647 C ARG A 42 4.611 5.509 5.739 1.00 0.00 C ATOM 648 O ARG A 42 3.987 6.292 6.438 1.00 0.00 O ATOM 649 CB ARG A 42 6.992 4.943 6.058 1.00 0.00 C ATOM 650 CG ARG A 42 8.044 4.012 6.590 1.00 0.00 C ATOM 651 CD ARG A 42 9.429 4.472 6.190 1.00 0.00 C ATOM 652 NE ARG A 42 10.473 3.582 6.698 1.00 0.00 N ATOM 653 CZ ARG A 42 11.755 3.926 6.861 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.171 5.141 6.518 1.00 0.00 N ATOM 655 NH2 ARG A 42 12.616 3.051 7.361 1.00 0.00 N ATOM 0 H ARG A 42 5.974 2.913 5.034 1.00 0.00 H new ATOM 0 HA ARG A 42 5.437 4.422 7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.124 5.044 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.145 5.931 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.974 3.961 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.868 3.005 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.494 4.523 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.598 5.481 6.567 1.00 0.00 H new ATOM 0 HE ARG A 42 10.204 2.630 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.512 5.815 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.150 5.399 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.300 2.117 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.594 3.312 7.486 1.00 0.00 H new ATOM 669 N LEU A 43 4.480 5.425 4.429 1.00 0.00 N ATOM 670 CA LEU A 43 3.632 6.298 3.629 1.00 0.00 C ATOM 671 C LEU A 43 2.161 6.200 4.059 1.00 0.00 C ATOM 672 O LEU A 43 1.436 7.206 4.111 1.00 0.00 O ATOM 673 CB LEU A 43 3.761 5.894 2.151 1.00 0.00 C ATOM 674 CG LEU A 43 5.132 6.052 1.497 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.068 5.579 0.060 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.599 7.499 1.558 1.00 0.00 C ATOM 0 H LEU A 43 4.974 4.728 3.872 1.00 0.00 H new ATOM 0 HA LEU A 43 3.957 7.328 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.463 4.850 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.044 6.482 1.577 1.00 0.00 H new ATOM 0 HG LEU A 43 5.852 5.443 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.047 5.693 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.774 4.530 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.336 6.174 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.578 7.586 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.885 8.134 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.669 7.815 2.599 1.00 0.00 H new ATOM 688 N THR A 44 1.739 5.009 4.375 1.00 0.00 N ATOM 689 CA THR A 44 0.368 4.743 4.728 1.00 0.00 C ATOM 690 C THR A 44 0.097 4.969 6.194 1.00 0.00 C ATOM 691 O THR A 44 -0.977 5.490 6.553 1.00 0.00 O ATOM 692 CB THR A 44 0.041 3.300 4.375 1.00 0.00 C ATOM 693 OG1 THR A 44 0.975 2.458 5.036 1.00 0.00 O ATOM 694 CG2 THR A 44 0.176 3.134 2.900 1.00 0.00 C ATOM 0 H THR A 44 2.340 4.185 4.396 1.00 0.00 H new ATOM 0 HA THR A 44 -0.261 5.436 4.169 1.00 0.00 H new ATOM 0 HB THR A 44 -0.973 3.043 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.102 1.638 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.055 2.104 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.515 3.807 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.197 3.369 2.599 1.00 0.00 H new ATOM 702 N GLU A 45 1.075 4.590 7.041 1.00 0.00 N ATOM 703 CA GLU A 45 0.942 4.591 8.479 1.00 0.00 C ATOM 704 C GLU A 45 -0.133 3.544 8.845 1.00 0.00 C ATOM 705 O GLU A 45 -0.739 3.555 9.940 1.00 0.00 O ATOM 706 CB GLU A 45 0.587 5.999 8.980 1.00 0.00 C ATOM 707 CG GLU A 45 0.670 6.148 10.464 1.00 0.00 C ATOM 708 CD GLU A 45 0.364 7.538 10.918 1.00 0.00 C ATOM 709 OE1 GLU A 45 -0.816 7.846 11.177 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.281 8.372 11.012 1.00 0.00 O ATOM 0 H GLU A 45 1.990 4.272 6.721 1.00 0.00 H new ATOM 0 HA GLU A 45 1.880 4.323 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.258 6.721 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.424 6.246 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.026 5.454 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.670 5.872 10.798 1.00 0.00 H new ATOM 717 N HIS A 46 -0.302 2.586 7.948 1.00 0.00 N ATOM 718 CA HIS A 46 -1.330 1.615 8.080 1.00 0.00 C ATOM 719 C HIS A 46 -0.890 0.495 9.072 1.00 0.00 C ATOM 720 O HIS A 46 0.260 0.083 9.093 1.00 0.00 O ATOM 721 CB HIS A 46 -1.772 1.085 6.678 1.00 0.00 C ATOM 722 CG HIS A 46 -3.029 0.278 6.734 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.070 -1.027 7.127 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.312 0.675 6.631 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.349 -1.364 7.301 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.144 -0.371 6.998 1.00 0.00 N ATOM 0 H HIS A 46 0.278 2.476 7.116 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.218 2.074 8.515 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.918 1.930 6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.973 0.475 6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.640 1.653 6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.684 -2.331 7.647 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.164 -0.367 7.026 1.00 0.00 H new ATOM 734 N PRO A 47 -1.799 0.066 9.947 1.00 0.00 N ATOM 735 CA PRO A 47 -1.526 -0.928 11.002 1.00 0.00 C ATOM 736 C PRO A 47 -1.277 -2.312 10.525 1.00 0.00 C ATOM 737 O PRO A 47 -0.475 -3.043 11.086 1.00 0.00 O ATOM 738 CB PRO A 47 -2.812 -0.953 11.777 1.00 0.00 C ATOM 739 CG PRO A 47 -3.846 -0.368 10.915 1.00 0.00 C ATOM 740 CD PRO A 47 -3.155 0.574 10.037 1.00 0.00 C ATOM 0 HA PRO A 47 -0.622 -0.644 11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.074 -1.974 12.055 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.715 -0.385 12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.354 -1.140 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.607 0.138 11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.627 0.620 9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.173 1.584 10.447 1.00 0.00 H new ATOM 748 N ASP A 48 -1.964 -2.672 9.513 1.00 0.00 N ATOM 749 CA ASP A 48 -1.938 -4.005 9.046 1.00 0.00 C ATOM 750 C ASP A 48 -1.448 -3.991 7.667 1.00 0.00 C ATOM 751 O ASP A 48 -1.629 -4.921 6.953 1.00 0.00 O ATOM 752 CB ASP A 48 -3.333 -4.652 9.072 1.00 0.00 C ATOM 753 CG ASP A 48 -3.881 -4.847 10.448 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.525 -3.939 10.978 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.677 -5.931 11.035 1.00 0.00 O ATOM 0 H ASP A 48 -2.567 -2.047 8.978 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.290 -4.589 9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.022 -4.030 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.285 -5.618 8.570 1.00 0.00 H new ATOM 760 N GLY A 49 -0.806 -2.902 7.311 1.00 0.00 N ATOM 761 CA GLY A 49 -0.335 -2.693 5.923 1.00 0.00 C ATOM 762 C GLY A 49 0.499 -3.794 5.390 1.00 0.00 C ATOM 763 O GLY A 49 0.232 -4.312 4.306 1.00 0.00 O ATOM 0 H GLY A 49 -0.589 -2.136 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.201 -2.562 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.238 -1.766 5.882 1.00 0.00 H new ATOM 767 N SER A 50 1.470 -4.180 6.142 1.00 0.00 N ATOM 768 CA SER A 50 2.314 -5.292 5.733 1.00 0.00 C ATOM 769 C SER A 50 1.475 -6.585 5.671 1.00 0.00 C ATOM 770 O SER A 50 1.540 -7.351 4.702 1.00 0.00 O ATOM 771 CB SER A 50 3.477 -5.453 6.694 1.00 0.00 C ATOM 772 OG SER A 50 4.139 -4.210 6.875 1.00 0.00 O ATOM 0 H SER A 50 1.713 -3.759 7.039 1.00 0.00 H new ATOM 0 HA SER A 50 2.719 -5.088 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.117 -5.825 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.177 -6.194 6.308 1.00 0.00 H new ATOM 0 HG SER A 50 4.104 -3.955 7.821 1.00 0.00 H new ATOM 778 N ASP A 51 0.632 -6.764 6.677 1.00 0.00 N ATOM 779 CA ASP A 51 -0.240 -7.922 6.797 1.00 0.00 C ATOM 780 C ASP A 51 -1.316 -7.952 5.721 1.00 0.00 C ATOM 781 O ASP A 51 -1.876 -8.976 5.473 1.00 0.00 O ATOM 782 CB ASP A 51 -0.893 -8.001 8.180 1.00 0.00 C ATOM 783 CG ASP A 51 0.082 -8.284 9.296 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.387 -9.461 9.538 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.523 -7.325 9.986 1.00 0.00 O ATOM 0 H ASP A 51 0.533 -6.099 7.444 1.00 0.00 H new ATOM 0 HA ASP A 51 0.401 -8.793 6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.403 -7.060 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.655 -8.781 8.168 1.00 0.00 H new ATOM 790 N LEU A 52 -1.595 -6.818 5.090 1.00 0.00 N ATOM 791 CA LEU A 52 -2.583 -6.746 3.995 1.00 0.00 C ATOM 792 C LEU A 52 -2.082 -7.521 2.821 1.00 0.00 C ATOM 793 O LEU A 52 -2.830 -8.199 2.129 1.00 0.00 O ATOM 794 CB LEU A 52 -2.811 -5.294 3.534 1.00 0.00 C ATOM 795 CG LEU A 52 -3.405 -4.326 4.541 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.595 -2.975 3.891 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.723 -4.849 5.094 1.00 0.00 C ATOM 0 H LEU A 52 -1.154 -5.925 5.312 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.520 -7.156 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.853 -4.891 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.465 -5.316 2.662 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.716 -4.226 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.022 -2.280 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.631 -2.597 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.269 -3.072 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.125 -4.135 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.433 -4.981 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.556 -5.806 5.588 1.00 0.00 H new ATOM 809 N ILE A 53 -0.796 -7.434 2.638 1.00 0.00 N ATOM 810 CA ILE A 53 -0.126 -8.050 1.518 1.00 0.00 C ATOM 811 C ILE A 53 -0.005 -9.527 1.801 1.00 0.00 C ATOM 812 O ILE A 53 -0.175 -10.376 0.927 1.00 0.00 O ATOM 813 CB ILE A 53 1.290 -7.445 1.376 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.199 -5.915 1.344 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.984 -7.971 0.114 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.523 -5.223 1.524 1.00 0.00 C ATOM 0 H ILE A 53 -0.172 -6.929 3.267 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.687 -7.880 0.599 1.00 0.00 H new ATOM 0 HB ILE A 53 1.888 -7.747 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.765 -5.606 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.518 -5.585 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.978 -7.531 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.070 -9.056 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.397 -7.700 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.377 -4.143 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.951 -5.501 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.202 -5.523 0.726 1.00 0.00 H new ATOM 828 N TYR A 54 0.228 -9.808 3.051 1.00 0.00 N ATOM 829 CA TYR A 54 0.466 -11.138 3.513 1.00 0.00 C ATOM 830 C TYR A 54 -0.828 -11.941 3.688 1.00 0.00 C ATOM 831 O TYR A 54 -0.905 -13.101 3.273 1.00 0.00 O ATOM 832 CB TYR A 54 1.210 -11.104 4.847 1.00 0.00 C ATOM 833 CG TYR A 54 2.567 -10.422 4.865 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.379 -10.361 3.736 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.031 -9.827 6.035 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.608 -9.729 3.779 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.255 -9.197 6.082 1.00 0.00 C ATOM 838 CZ TYR A 54 5.038 -9.150 4.956 1.00 0.00 C ATOM 839 OH TYR A 54 6.263 -8.524 5.007 1.00 0.00 O ATOM 0 H TYR A 54 0.258 -9.104 3.788 1.00 0.00 H new ATOM 0 HA TYR A 54 1.068 -11.632 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.572 -10.607 5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.343 -12.131 5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.045 -10.813 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.419 -9.860 6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.229 -9.689 2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.597 -8.742 7.000 1.00 0.00 H new ATOM 0 HH TYR A 54 6.412 -8.169 5.908 1.00 0.00 H new ATOM 849 N TYR A 55 -1.823 -11.348 4.325 1.00 0.00 N ATOM 850 CA TYR A 55 -3.050 -12.048 4.676 1.00 0.00 C ATOM 851 C TYR A 55 -4.284 -11.152 4.507 1.00 0.00 C ATOM 852 O TYR A 55 -4.493 -10.231 5.311 1.00 0.00 O ATOM 853 CB TYR A 55 -3.010 -12.495 6.159 1.00 0.00 C ATOM 854 CG TYR A 55 -1.856 -13.389 6.541 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.938 -14.762 6.368 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.679 -12.859 7.074 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.892 -15.588 6.710 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.376 -13.683 7.416 1.00 0.00 C ATOM 859 CZ TYR A 55 0.264 -15.047 7.230 1.00 0.00 C ATOM 860 OH TYR A 55 1.309 -15.880 7.565 1.00 0.00 O ATOM 0 H TYR A 55 -1.805 -10.370 4.614 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.121 -12.905 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.980 -11.605 6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.940 -13.015 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.840 -15.191 5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.592 -11.793 7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.977 -16.656 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.283 -13.263 7.826 1.00 0.00 H new ATOM 0 HH TYR A 55 2.052 -15.347 7.917 1.00 0.00 H new ATOM 870 N PRO A 56 -5.118 -11.382 3.472 1.00 0.00 N ATOM 871 CA PRO A 56 -6.398 -10.687 3.348 1.00 0.00 C ATOM 872 C PRO A 56 -7.311 -11.099 4.515 1.00 0.00 C ATOM 873 O PRO A 56 -7.161 -12.204 5.053 1.00 0.00 O ATOM 874 CB PRO A 56 -6.966 -11.180 2.006 1.00 0.00 C ATOM 875 CG PRO A 56 -6.229 -12.443 1.716 1.00 0.00 C ATOM 876 CD PRO A 56 -4.874 -12.294 2.344 1.00 0.00 C ATOM 0 HA PRO A 56 -6.309 -9.601 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.040 -11.356 2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.812 -10.443 1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.756 -13.304 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.144 -12.605 0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.480 -13.253 2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.150 -11.880 1.643 1.00 0.00 H new ATOM 884 N ARG A 57 -8.226 -10.221 4.915 1.00 0.00 N ATOM 885 CA ARG A 57 -9.075 -10.481 6.088 1.00 0.00 C ATOM 886 C ARG A 57 -10.168 -11.537 5.792 1.00 0.00 C ATOM 887 O ARG A 57 -9.881 -12.689 5.512 1.00 0.00 O ATOM 888 CB ARG A 57 -9.741 -9.189 6.577 1.00 0.00 C ATOM 889 CG ARG A 57 -8.836 -8.003 6.821 1.00 0.00 C ATOM 890 CD ARG A 57 -9.656 -6.870 7.414 1.00 0.00 C ATOM 891 NE ARG A 57 -8.941 -5.600 7.461 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.402 -5.068 8.565 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.270 -5.810 9.669 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.982 -3.805 8.556 1.00 0.00 N ATOM 0 H ARG A 57 -8.403 -9.329 4.453 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.420 -10.873 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.493 -8.897 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.269 -9.410 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.029 -8.279 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.373 -7.684 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.566 -6.745 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.963 -7.143 8.424 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.844 -5.079 6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.580 -6.782 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.859 -5.404 10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.071 -3.244 7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.571 -3.398 9.396 1.00 0.00 H new ATOM 908 N ASP A 58 -11.411 -11.123 5.837 1.00 0.00 N ATOM 909 CA ASP A 58 -12.536 -12.012 5.548 1.00 0.00 C ATOM 910 C ASP A 58 -13.283 -11.489 4.361 1.00 0.00 C ATOM 911 O ASP A 58 -13.476 -12.174 3.362 1.00 0.00 O ATOM 912 CB ASP A 58 -13.485 -12.086 6.752 1.00 0.00 C ATOM 913 CG ASP A 58 -14.690 -12.961 6.497 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.559 -14.210 6.577 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.792 -12.418 6.218 1.00 0.00 O ATOM 0 H ASP A 58 -11.682 -10.168 6.072 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.153 -13.011 5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.940 -12.469 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.820 -11.080 7.007 1.00 0.00 H new ATOM 920 N ASP A 59 -13.668 -10.250 4.474 1.00 0.00 N ATOM 921 CA ASP A 59 -14.407 -9.545 3.447 1.00 0.00 C ATOM 922 C ASP A 59 -13.468 -9.043 2.364 1.00 0.00 C ATOM 923 O ASP A 59 -13.885 -8.697 1.267 1.00 0.00 O ATOM 924 CB ASP A 59 -15.150 -8.374 4.091 1.00 0.00 C ATOM 925 CG ASP A 59 -15.932 -7.540 3.120 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.001 -7.980 2.656 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.511 -6.409 2.834 1.00 0.00 O ATOM 0 H ASP A 59 -13.476 -9.682 5.299 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.122 -10.224 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.829 -8.761 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.429 -7.737 4.603 1.00 0.00 H new ATOM 932 N ARG A 60 -12.191 -9.027 2.673 1.00 0.00 N ATOM 933 CA ARG A 60 -11.217 -8.546 1.730 1.00 0.00 C ATOM 934 C ARG A 60 -10.902 -9.506 0.660 1.00 0.00 C ATOM 935 O ARG A 60 -10.715 -10.708 0.884 1.00 0.00 O ATOM 936 CB ARG A 60 -9.938 -8.039 2.356 1.00 0.00 C ATOM 937 CG ARG A 60 -10.054 -6.662 2.937 1.00 0.00 C ATOM 938 CD ARG A 60 -10.314 -5.629 1.844 1.00 0.00 C ATOM 939 NE ARG A 60 -10.537 -4.308 2.420 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.275 -3.331 1.870 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.849 -3.507 0.679 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.435 -2.180 2.523 1.00 0.00 N ATOM 0 H ARG A 60 -11.808 -9.340 3.565 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.720 -7.690 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.630 -8.730 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.150 -8.040 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.864 -6.638 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.138 -6.410 3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.465 -5.594 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.183 -5.926 1.257 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.094 -4.110 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.729 -4.388 0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.408 -2.760 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.998 -2.046 3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.995 -1.433 2.111 1.00 0.00 H new ATOM 956 N GLU A 61 -10.844 -8.952 -0.477 1.00 0.00 N ATOM 957 CA GLU A 61 -10.477 -9.611 -1.659 1.00 0.00 C ATOM 958 C GLU A 61 -8.956 -9.693 -1.709 1.00 0.00 C ATOM 959 O GLU A 61 -8.256 -8.780 -1.238 1.00 0.00 O ATOM 960 CB GLU A 61 -11.023 -8.815 -2.847 1.00 0.00 C ATOM 961 CG GLU A 61 -10.604 -9.341 -4.190 1.00 0.00 C ATOM 962 CD GLU A 61 -11.077 -10.753 -4.443 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.444 -11.712 -3.943 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.094 -10.927 -5.139 1.00 0.00 O ATOM 0 H GLU A 61 -11.064 -7.966 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.886 -10.621 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.112 -8.810 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.695 -7.780 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.996 -8.687 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.517 -9.309 -4.264 1.00 0.00 H new ATOM 971 N ASP A 62 -8.460 -10.755 -2.268 1.00 0.00 N ATOM 972 CA ASP A 62 -7.041 -10.966 -2.392 1.00 0.00 C ATOM 973 C ASP A 62 -6.562 -10.352 -3.696 1.00 0.00 C ATOM 974 O ASP A 62 -6.225 -11.044 -4.659 1.00 0.00 O ATOM 975 CB ASP A 62 -6.697 -12.476 -2.313 1.00 0.00 C ATOM 976 CG ASP A 62 -5.216 -12.790 -2.516 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.397 -12.481 -1.625 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.850 -13.358 -3.588 1.00 0.00 O ATOM 0 H ASP A 62 -9.029 -11.508 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.526 -10.480 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.008 -12.858 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.277 -13.010 -3.066 1.00 0.00 H new ATOM 983 N SER A 63 -6.638 -9.052 -3.786 1.00 0.00 N ATOM 984 CA SER A 63 -6.170 -8.422 -4.958 1.00 0.00 C ATOM 985 C SER A 63 -5.358 -7.217 -4.590 1.00 0.00 C ATOM 986 O SER A 63 -5.594 -6.616 -3.533 1.00 0.00 O ATOM 987 CB SER A 63 -7.354 -8.029 -5.857 1.00 0.00 C ATOM 988 OG SER A 63 -8.254 -7.157 -5.182 1.00 0.00 O ATOM 0 H SER A 63 -7.014 -8.431 -3.069 1.00 0.00 H new ATOM 0 HA SER A 63 -5.537 -9.114 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.982 -7.543 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.885 -8.927 -6.175 1.00 0.00 H new ATOM 0 HG SER A 63 -8.994 -6.924 -5.780 1.00 0.00 H new ATOM 994 N PRO A 64 -4.330 -6.892 -5.395 1.00 0.00 N ATOM 995 CA PRO A 64 -3.596 -5.634 -5.286 1.00 0.00 C ATOM 996 C PRO A 64 -4.575 -4.443 -5.108 1.00 0.00 C ATOM 997 O PRO A 64 -4.331 -3.539 -4.311 1.00 0.00 O ATOM 998 CB PRO A 64 -2.864 -5.589 -6.648 1.00 0.00 C ATOM 999 CG PRO A 64 -2.525 -7.009 -6.883 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.731 -7.782 -6.419 1.00 0.00 C ATOM 0 HA PRO A 64 -2.924 -5.568 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.501 -5.189 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.974 -4.961 -6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.318 -7.196 -7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.633 -7.299 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.424 -7.977 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.453 -8.749 -5.999 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.711 -4.507 -5.811 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.753 -3.500 -5.698 1.00 0.00 C ATOM 1010 C GLU A 65 -7.393 -3.519 -4.297 1.00 0.00 C ATOM 1011 O GLU A 65 -7.517 -2.475 -3.653 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.835 -3.707 -6.759 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.340 -3.692 -8.197 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.476 -3.738 -9.173 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.203 -2.723 -9.298 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.678 -4.774 -9.834 1.00 0.00 O ATOM 0 H GLU A 65 -5.926 -5.256 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.284 -2.529 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.329 -4.660 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.590 -2.929 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.748 -2.793 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.681 -4.544 -8.364 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.777 -4.712 -3.838 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.411 -4.887 -2.534 1.00 0.00 C ATOM 1025 C GLY A 66 -7.526 -4.445 -1.382 1.00 0.00 C ATOM 1026 O GLY A 66 -7.998 -3.851 -0.407 1.00 0.00 O ATOM 0 H GLY A 66 -7.657 -5.580 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.341 -4.320 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.674 -5.936 -2.401 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.251 -4.736 -1.507 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.248 -4.344 -0.529 1.00 0.00 C ATOM 1032 C ILE A 67 -5.170 -2.817 -0.429 1.00 0.00 C ATOM 1033 O ILE A 67 -5.222 -2.247 0.670 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.871 -4.970 -0.890 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.952 -6.503 -0.724 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.735 -4.372 -0.053 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.733 -7.262 -1.198 1.00 0.00 C ATOM 0 H ILE A 67 -5.872 -5.257 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.536 -4.723 0.451 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.640 -4.735 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.117 -6.731 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.823 -6.867 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.791 -4.837 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.679 -3.298 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.927 -4.555 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.885 -8.330 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.575 -7.071 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.859 -6.933 -0.636 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.092 -2.162 -1.581 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.090 -0.704 -1.649 1.00 0.00 C ATOM 1051 C VAL A 68 -6.353 -0.147 -1.054 1.00 0.00 C ATOM 1052 O VAL A 68 -6.318 0.823 -0.300 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.960 -0.200 -3.103 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.194 1.311 -3.208 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.602 -0.517 -3.609 1.00 0.00 C ATOM 0 H VAL A 68 -5.029 -2.622 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.226 -0.360 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.722 -0.701 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.093 1.623 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.197 1.549 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.459 1.836 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.504 -0.163 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.857 -0.026 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.446 -1.595 -3.580 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.453 -0.798 -1.365 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.755 -0.372 -0.948 1.00 0.00 C ATOM 1067 C LYS A 69 -8.851 -0.287 0.563 1.00 0.00 C ATOM 1068 O LYS A 69 -9.489 0.620 1.089 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.796 -1.312 -1.488 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.179 -0.726 -1.445 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.825 -0.766 -2.810 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.079 0.129 -3.808 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.622 0.024 -5.176 1.00 0.00 N ATOM 0 H LYS A 69 -7.459 -1.651 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.932 0.627 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.547 -1.572 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.779 -2.237 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.791 -1.280 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.131 0.304 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.838 -1.792 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.863 -0.442 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.137 1.166 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.024 -0.144 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.084 0.647 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.543 -0.959 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.622 0.310 -5.175 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.185 -1.200 1.248 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.178 -1.208 2.691 1.00 0.00 C ATOM 1089 C GLU A 70 -7.514 0.075 3.196 1.00 0.00 C ATOM 1090 O GLU A 70 -8.118 0.847 3.932 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.425 -2.426 3.213 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.664 -2.692 4.682 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.083 -3.111 4.941 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.984 -2.249 4.987 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.332 -4.317 5.077 1.00 0.00 O ATOM 0 H GLU A 70 -7.640 -1.948 0.820 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.204 -1.258 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.724 -3.303 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.357 -2.284 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.985 -3.471 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.438 -1.794 5.257 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.292 0.313 2.725 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.509 1.499 3.068 1.00 0.00 C ATOM 1104 C ILE A 71 -6.249 2.788 2.719 1.00 0.00 C ATOM 1105 O ILE A 71 -6.275 3.745 3.498 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.144 1.451 2.338 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.287 0.407 3.017 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.435 2.813 2.332 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.037 0.075 2.295 1.00 0.00 C ATOM 0 H ILE A 71 -5.811 -0.320 2.086 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.349 1.497 4.146 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.312 1.192 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.032 0.759 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.874 -0.503 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.483 2.725 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.062 3.547 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.256 3.135 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.485 -0.681 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.280 -0.310 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.425 0.972 2.196 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.855 2.784 1.567 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.570 3.888 1.036 1.00 0.00 C ATOM 1123 C LYS A 72 -8.761 4.242 1.946 1.00 0.00 C ATOM 1124 O LYS A 72 -8.828 5.360 2.478 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.961 3.482 -0.410 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.733 4.448 -1.286 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.129 4.641 -0.812 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.990 5.164 -1.900 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.333 5.528 -1.409 1.00 0.00 N ATOM 0 H LYS A 72 -6.859 1.971 0.952 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.981 4.804 0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.040 3.232 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.548 2.566 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.220 5.410 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.747 4.076 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.529 3.694 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.139 5.333 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.518 6.038 -2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.081 4.413 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.921 5.841 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.774 4.701 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.252 6.299 -0.715 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.644 3.279 2.159 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.849 3.483 2.954 1.00 0.00 C ATOM 1145 C GLU A 73 -10.500 3.841 4.396 1.00 0.00 C ATOM 1146 O GLU A 73 -11.077 4.769 4.976 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.720 2.221 2.912 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.323 1.904 1.540 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.441 2.836 1.154 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.549 2.697 1.681 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.246 3.716 0.303 1.00 0.00 O ATOM 0 H GLU A 73 -9.547 2.334 1.787 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.407 4.317 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.119 1.371 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.530 2.331 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.539 1.955 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.697 0.880 1.542 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.524 3.142 4.934 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.100 3.302 6.314 1.00 0.00 C ATOM 1160 C TRP A 74 -8.558 4.703 6.575 1.00 0.00 C ATOM 1161 O TRP A 74 -9.033 5.404 7.472 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.032 2.259 6.629 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.615 2.163 8.063 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.255 1.478 9.044 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.444 2.730 8.669 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.562 1.572 10.212 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.448 2.333 10.014 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.395 3.530 8.205 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.447 2.697 10.898 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.394 3.898 9.085 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.429 3.474 10.419 1.00 0.00 C ATOM 0 H TRP A 74 -8.994 2.437 4.421 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.965 3.160 6.962 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.400 1.283 6.312 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.149 2.478 6.028 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.181 0.936 8.917 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.833 1.141 11.096 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.367 3.855 7.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.469 2.378 11.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.579 4.517 8.741 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.632 3.768 11.086 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.615 5.153 5.757 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.967 6.429 6.024 1.00 0.00 C ATOM 1184 C ARG A 75 -7.917 7.581 5.822 1.00 0.00 C ATOM 1185 O ARG A 75 -7.877 8.566 6.564 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.724 6.606 5.193 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.695 5.527 5.434 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.462 5.769 4.629 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.783 6.106 3.247 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.205 7.095 2.563 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.249 7.833 3.132 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.613 7.381 1.338 1.00 0.00 N ATOM 0 H ARG A 75 -7.288 4.666 4.922 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.666 6.422 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.997 6.611 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.282 7.578 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.440 5.494 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.116 4.555 5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.887 6.579 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.832 4.880 4.651 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.495 5.550 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.959 7.641 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.808 8.589 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.371 6.845 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.170 8.137 0.817 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.817 7.420 4.878 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.809 8.430 4.586 1.00 0.00 C ATOM 1208 C ALA A 76 -10.821 8.540 5.733 1.00 0.00 C ATOM 1209 O ALA A 76 -11.388 9.598 5.972 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.510 8.111 3.274 1.00 0.00 C ATOM 0 H ALA A 76 -8.882 6.587 4.292 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.309 9.393 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.255 8.878 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.778 8.086 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.000 7.140 3.350 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.996 7.455 6.476 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.952 7.420 7.567 1.00 0.00 C ATOM 1218 C ALA A 77 -11.321 8.014 8.790 1.00 0.00 C ATOM 1219 O ALA A 77 -11.977 8.621 9.624 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.390 5.993 7.851 1.00 0.00 C ATOM 0 H ALA A 77 -10.483 6.584 6.339 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.833 7.997 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.107 5.989 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.856 5.571 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.522 5.393 8.124 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.021 7.840 8.860 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.215 8.277 9.972 1.00 0.00 C ATOM 1228 C ASN A 78 -8.891 9.759 9.903 1.00 0.00 C ATOM 1229 O ASN A 78 -8.473 10.351 10.897 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.902 7.495 10.007 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.978 6.074 10.557 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.000 5.587 11.107 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.090 5.414 10.421 1.00 0.00 N ATOM 0 H ASN A 78 -9.484 7.379 8.126 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.798 8.094 10.875 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.504 7.449 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.185 8.056 10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.165 4.461 10.778 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.888 5.849 9.957 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.062 10.350 8.739 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.712 11.746 8.571 1.00 0.00 C ATOM 1242 C GLY A 79 -7.228 11.891 8.318 1.00 0.00 C ATOM 1243 O GLY A 79 -6.593 12.878 8.705 1.00 0.00 O ATOM 0 H GLY A 79 -9.435 9.895 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.272 12.170 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.992 12.307 9.462 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.678 10.891 7.680 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.297 10.839 7.357 1.00 0.00 C ATOM 1249 C LYS A 80 -5.074 11.309 5.938 1.00 0.00 C ATOM 1250 O LYS A 80 -6.031 11.694 5.253 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.798 9.421 7.551 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.652 9.025 9.009 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.260 7.577 9.143 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.865 7.218 10.577 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.954 7.375 11.564 1.00 0.00 N ATOM 0 H LYS A 80 -7.202 10.074 7.367 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.737 11.503 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.487 8.732 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.834 9.313 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.900 9.654 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.592 9.200 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.091 6.946 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.426 7.364 8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.517 6.185 10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.025 7.844 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.598 7.145 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.296 8.357 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.736 6.733 11.323 1.00 0.00 H new ATOM 1269 N SER A 81 -3.828 11.308 5.517 1.00 0.00 N ATOM 1270 CA SER A 81 -3.430 11.698 4.203 1.00 0.00 C ATOM 1271 C SER A 81 -4.122 10.827 3.136 1.00 0.00 C ATOM 1272 O SER A 81 -4.574 9.714 3.429 1.00 0.00 O ATOM 1273 CB SER A 81 -1.933 11.509 4.142 1.00 0.00 C ATOM 1274 OG SER A 81 -1.293 12.185 5.220 1.00 0.00 O ATOM 0 H SER A 81 -3.046 11.024 6.108 1.00 0.00 H new ATOM 0 HA SER A 81 -3.713 12.731 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.694 10.446 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.553 11.887 3.193 1.00 0.00 H new ATOM 0 HG SER A 81 -0.324 12.048 5.163 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.190 11.322 1.925 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.826 10.584 0.873 1.00 0.00 C ATOM 1282 C GLY A 82 -3.835 10.198 -0.188 1.00 0.00 C ATOM 1283 O GLY A 82 -2.708 9.781 0.131 1.00 0.00 O ATOM 0 H GLY A 82 -3.813 12.229 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.293 9.688 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.621 11.185 0.432 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.249 10.273 -1.418 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.416 10.045 -2.540 1.00 0.00 C ATOM 1289 C PHE A 83 -3.474 11.288 -3.412 1.00 0.00 C ATOM 1290 O PHE A 83 -4.199 12.241 -3.091 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.917 8.843 -3.340 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.953 7.539 -2.594 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.791 6.848 -2.328 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.157 7.001 -2.164 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.826 5.650 -1.649 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.197 5.802 -1.484 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.027 5.123 -1.226 1.00 0.00 C ATOM 0 H PHE A 83 -5.211 10.503 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.396 9.839 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.922 9.063 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.282 8.722 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.843 7.250 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.077 7.529 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.907 5.121 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.143 5.397 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.051 4.183 -0.695 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.735 11.295 -4.477 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.745 12.398 -5.398 1.00 0.00 C ATOM 1309 C LYS A 84 -3.953 12.332 -6.295 1.00 0.00 C ATOM 1310 O LYS A 84 -4.239 11.302 -6.923 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.479 12.416 -6.242 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.456 13.500 -7.325 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.191 13.435 -8.158 1.00 0.00 C ATOM 1314 CE LYS A 84 1.029 13.743 -7.324 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.284 13.537 -8.069 1.00 0.00 N ATOM 0 H LYS A 84 -2.105 10.536 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.787 13.317 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.621 12.558 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.360 11.442 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.325 13.385 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.534 14.482 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.093 12.443 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.259 14.144 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.979 14.776 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.028 13.111 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.092 13.629 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.285 12.587 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.362 14.250 -8.822 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.644 13.412 -6.350 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.773 13.558 -7.199 1.00 0.00 C ATOM 1331 C GLN A 85 -5.340 14.237 -8.494 1.00 0.00 C ATOM 1332 O GLN A 85 -5.386 15.457 -8.635 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.961 14.285 -6.486 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.679 15.686 -5.879 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.642 15.689 -4.758 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -4.446 15.856 -5.003 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.073 15.464 -3.549 1.00 0.00 N ATOM 0 H GLN A 85 -4.436 14.241 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.164 12.572 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.774 14.387 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.321 13.638 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.340 16.351 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.613 16.097 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.070 15.330 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.413 15.422 -2.772 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.787 13.452 -9.372 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.332 13.938 -10.630 1.00 0.00 C ATOM 1348 C GLY A 86 -3.936 12.787 -11.481 1.00 0.00 C ATOM 1349 O GLY A 86 -4.524 11.699 -11.298 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.030 12.926 -12.326 1.00 0.00 O ATOM 0 H GLY A 86 -4.641 12.453 -9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.119 14.513 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.486 14.611 -10.490 1.00 0.00 H new