USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 10 TYR OH : rot 180:sc= -0.0164 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -0.468 X(o=-0.48,f=-0.74) USER MOD Set 2.1: A 43 TYR OH : rot -80:sc= -0.0864 USER MOD Set 2.2: A 65 GLN : amide:sc= 1.03 K(o=0.95,f=-3.2) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 16 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-0.79) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0.665 (180deg=0.381) USER MOD Single : A 19 HIS : no HD1:sc= -0.0626 K(o=-0.063,f=-0.57) USER MOD Single : A 21 ASN : amide:sc= -0.603 K(o=-0.6,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 133:sc= -1.52 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.0787 (180deg=-1.4!) USER MOD Single : A 50 TYR OH : rot 29:sc= 0.163 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 63 TYR OH : rot -172:sc= -0.989 USER MOD Single : A 75 THR OG1 : rot -43:sc= 0.0489 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 157:sc= 0.586 (180deg=0.16) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.594 K(o=-0.59,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -1.26 (180deg=-2.97!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.491 1.253 9.396 1.00 0.00 N ATOM 72 CA PRO A 6 -9.238 1.490 8.633 1.00 0.00 C ATOM 73 C PRO A 6 -7.967 1.212 9.459 1.00 0.00 C ATOM 74 O PRO A 6 -7.186 0.341 9.079 1.00 0.00 O ATOM 75 CB PRO A 6 -9.345 2.981 8.198 1.00 0.00 C ATOM 76 CG PRO A 6 -10.353 3.580 9.132 1.00 0.00 C ATOM 77 CD PRO A 6 -11.339 2.478 9.416 1.00 0.00 C ATOM 0 HA PRO A 6 -9.142 0.810 7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.383 3.486 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.666 3.068 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.879 3.930 10.049 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.845 4.441 8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.829 2.614 10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.125 2.436 8.662 1.00 0.00 H new ATOM 85 N PHE A 7 -7.781 1.934 10.593 1.00 0.00 N ATOM 86 CA PHE A 7 -6.590 1.780 11.453 1.00 0.00 C ATOM 87 C PHE A 7 -6.493 0.360 12.025 1.00 0.00 C ATOM 88 O PHE A 7 -5.395 -0.187 12.099 1.00 0.00 O ATOM 89 CB PHE A 7 -6.575 2.817 12.609 1.00 0.00 C ATOM 90 CG PHE A 7 -5.346 2.708 13.528 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.102 3.203 13.121 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.427 2.088 14.780 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.988 3.078 13.936 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.316 1.970 15.592 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.096 2.466 15.170 1.00 0.00 C ATOM 0 H PHE A 7 -8.446 2.630 10.930 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.722 1.962 10.820 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.611 3.820 12.185 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.477 2.692 13.208 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.009 3.688 12.161 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.375 1.695 15.117 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.033 3.460 13.606 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.400 1.491 16.556 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.227 2.375 15.805 1.00 0.00 H new ATOM 105 N THR A 8 -7.645 -0.214 12.438 1.00 0.00 N ATOM 106 CA THR A 8 -7.685 -1.551 13.056 1.00 0.00 C ATOM 107 C THR A 8 -7.074 -2.605 12.111 1.00 0.00 C ATOM 108 O THR A 8 -6.105 -3.251 12.478 1.00 0.00 O ATOM 109 CB THR A 8 -9.141 -1.956 13.475 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.610 -1.054 14.486 1.00 0.00 O ATOM 111 CG2 THR A 8 -9.248 -3.401 14.005 1.00 0.00 C ATOM 0 H THR A 8 -8.559 0.231 12.353 1.00 0.00 H new ATOM 0 HA THR A 8 -7.085 -1.510 13.965 1.00 0.00 H new ATOM 0 HB THR A 8 -9.754 -1.899 12.575 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.521 -1.303 14.749 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.282 -3.613 14.276 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.925 -4.097 13.231 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.612 -3.515 14.883 1.00 0.00 H new ATOM 119 N ARG A 9 -7.607 -2.699 10.881 1.00 0.00 N ATOM 120 CA ARG A 9 -7.184 -3.710 9.887 1.00 0.00 C ATOM 121 C ARG A 9 -5.810 -3.383 9.271 1.00 0.00 C ATOM 122 O ARG A 9 -5.106 -4.284 8.837 1.00 0.00 O ATOM 123 CB ARG A 9 -8.245 -3.856 8.788 1.00 0.00 C ATOM 124 CG ARG A 9 -8.421 -2.620 7.892 1.00 0.00 C ATOM 125 CD ARG A 9 -9.568 -2.796 6.901 1.00 0.00 C ATOM 126 NE ARG A 9 -9.404 -4.012 6.090 1.00 0.00 N ATOM 127 CZ ARG A 9 -10.354 -4.561 5.335 1.00 0.00 C ATOM 128 NH1 ARG A 9 -11.495 -3.927 5.111 1.00 0.00 N ATOM 129 NH2 ARG A 9 -10.140 -5.741 4.785 1.00 0.00 N ATOM 0 H ARG A 9 -8.343 -2.078 10.544 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.083 -4.659 10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.983 -4.708 8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.202 -4.087 9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.609 -1.745 8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.496 -2.431 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.513 -2.844 7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.620 -1.926 6.246 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.493 -4.470 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.655 -3.006 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.214 -4.360 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.254 -6.223 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.860 -6.171 4.205 1.00 0.00 H new ATOM 143 N TYR A 10 -5.462 -2.086 9.222 1.00 0.00 N ATOM 144 CA TYR A 10 -4.158 -1.607 8.706 1.00 0.00 C ATOM 145 C TYR A 10 -3.029 -2.059 9.641 1.00 0.00 C ATOM 146 O TYR A 10 -2.066 -2.697 9.201 1.00 0.00 O ATOM 147 CB TYR A 10 -4.194 -0.058 8.555 1.00 0.00 C ATOM 148 CG TYR A 10 -2.845 0.622 8.264 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.262 0.579 6.994 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.158 1.318 9.268 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.051 1.198 6.743 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.952 1.933 9.015 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.402 1.874 7.755 1.00 0.00 C ATOM 154 OH TYR A 10 0.804 2.492 7.506 1.00 0.00 O ATOM 0 H TYR A 10 -6.075 -1.335 9.539 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.967 -2.038 7.723 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.886 0.193 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.603 0.367 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.766 0.054 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.583 1.373 10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.614 1.152 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.438 2.461 9.805 1.00 0.00 H new ATOM 0 HH TYR A 10 1.126 2.923 8.325 1.00 0.00 H new ATOM 164 N ALA A 11 -3.188 -1.742 10.932 1.00 0.00 N ATOM 165 CA ALA A 11 -2.234 -2.108 11.989 1.00 0.00 C ATOM 166 C ALA A 11 -2.208 -3.635 12.203 1.00 0.00 C ATOM 167 O ALA A 11 -1.150 -4.213 12.458 1.00 0.00 O ATOM 168 CB ALA A 11 -2.597 -1.371 13.285 1.00 0.00 C ATOM 0 H ALA A 11 -3.992 -1.218 11.277 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.232 -1.807 11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.889 -1.643 14.068 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.555 -0.295 13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.604 -1.651 13.593 1.00 0.00 H new ATOM 174 N LEU A 12 -3.397 -4.261 12.072 1.00 0.00 N ATOM 175 CA LEU A 12 -3.577 -5.727 12.149 1.00 0.00 C ATOM 176 C LEU A 12 -2.817 -6.413 11.007 1.00 0.00 C ATOM 177 O LEU A 12 -2.215 -7.463 11.206 1.00 0.00 O ATOM 178 CB LEU A 12 -5.091 -6.077 12.078 1.00 0.00 C ATOM 179 CG LEU A 12 -5.499 -7.589 12.046 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.058 -8.338 13.322 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.023 -7.747 11.810 1.00 0.00 C ATOM 0 H LEU A 12 -4.269 -3.757 11.908 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.176 -6.086 13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.580 -5.618 12.937 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.501 -5.602 11.187 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.972 -8.045 11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.363 -9.382 13.254 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.974 -8.282 13.421 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.526 -7.879 14.193 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.281 -8.806 11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.569 -7.254 12.615 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.293 -7.292 10.857 1.00 0.00 H new ATOM 193 N ALA A 13 -2.860 -5.788 9.814 1.00 0.00 N ATOM 194 CA ALA A 13 -2.162 -6.273 8.612 1.00 0.00 C ATOM 195 C ALA A 13 -0.644 -6.222 8.799 1.00 0.00 C ATOM 196 O ALA A 13 0.060 -7.154 8.414 1.00 0.00 O ATOM 197 CB ALA A 13 -2.589 -5.472 7.377 1.00 0.00 C ATOM 0 H ALA A 13 -3.384 -4.927 9.659 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.443 -7.314 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.061 -5.847 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.663 -5.579 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.346 -4.420 7.524 1.00 0.00 H new ATOM 203 N GLN A 14 -0.157 -5.134 9.408 1.00 0.00 N ATOM 204 CA GLN A 14 1.267 -4.983 9.754 1.00 0.00 C ATOM 205 C GLN A 14 1.715 -6.078 10.747 1.00 0.00 C ATOM 206 O GLN A 14 2.838 -6.585 10.652 1.00 0.00 O ATOM 207 CB GLN A 14 1.533 -3.571 10.326 1.00 0.00 C ATOM 208 CG GLN A 14 1.175 -2.427 9.357 1.00 0.00 C ATOM 209 CD GLN A 14 1.514 -1.044 9.909 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.696 -0.405 10.569 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.730 -0.583 9.660 1.00 0.00 N ATOM 0 H GLN A 14 -0.733 -4.336 9.675 1.00 0.00 H new ATOM 0 HA GLN A 14 1.857 -5.102 8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.960 -3.448 11.245 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.586 -3.491 10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.706 -2.576 8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.109 -2.470 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.383 -1.140 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.013 0.329 10.019 1.00 0.00 H new ATOM 220 N GLU A 15 0.818 -6.450 11.677 1.00 0.00 N ATOM 221 CA GLU A 15 1.076 -7.543 12.626 1.00 0.00 C ATOM 222 C GLU A 15 1.066 -8.906 11.902 1.00 0.00 C ATOM 223 O GLU A 15 1.870 -9.770 12.239 1.00 0.00 O ATOM 224 CB GLU A 15 0.067 -7.518 13.807 1.00 0.00 C ATOM 225 CG GLU A 15 0.099 -6.226 14.653 1.00 0.00 C ATOM 226 CD GLU A 15 1.501 -5.885 15.198 1.00 0.00 C ATOM 227 OE1 GLU A 15 2.001 -6.620 16.078 1.00 0.00 O ATOM 228 OE2 GLU A 15 2.113 -4.889 14.746 1.00 0.00 O ATOM 0 H GLU A 15 -0.094 -6.007 11.790 1.00 0.00 H new ATOM 0 HA GLU A 15 2.069 -7.395 13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.939 -7.652 13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.269 -8.368 14.458 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.259 -5.394 14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.592 -6.331 15.489 1.00 0.00 H new ATOM 235 N HIS A 16 0.154 -9.090 10.911 1.00 0.00 N ATOM 236 CA HIS A 16 0.116 -10.308 10.058 1.00 0.00 C ATOM 237 C HIS A 16 1.471 -10.505 9.357 1.00 0.00 C ATOM 238 O HIS A 16 1.987 -11.616 9.314 1.00 0.00 O ATOM 239 CB HIS A 16 -1.020 -10.268 8.986 1.00 0.00 C ATOM 240 CG HIS A 16 -2.429 -10.448 9.495 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.877 -11.607 10.081 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.501 -9.629 9.455 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.151 -11.486 10.379 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.559 -10.295 10.007 1.00 0.00 N ATOM 0 H HIS A 16 -0.568 -8.407 10.683 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.094 -11.146 10.723 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.964 -9.312 8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.821 -11.045 8.248 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.519 -8.625 9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.761 -12.241 10.852 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.505 -9.929 10.112 1.00 0.00 H new ATOM 253 N LEU A 17 2.048 -9.398 8.851 1.00 0.00 N ATOM 254 CA LEU A 17 3.373 -9.393 8.191 1.00 0.00 C ATOM 255 C LEU A 17 4.462 -9.916 9.145 1.00 0.00 C ATOM 256 O LEU A 17 5.273 -10.768 8.771 1.00 0.00 O ATOM 257 CB LEU A 17 3.731 -7.963 7.707 1.00 0.00 C ATOM 258 CG LEU A 17 2.837 -7.401 6.562 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.182 -5.934 6.225 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.950 -8.291 5.310 1.00 0.00 C ATOM 0 H LEU A 17 1.609 -8.478 8.887 1.00 0.00 H new ATOM 0 HA LEU A 17 3.324 -10.056 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.671 -7.284 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.768 -7.961 7.370 1.00 0.00 H new ATOM 0 HG LEU A 17 1.805 -7.414 6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.534 -5.583 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.033 -5.313 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.223 -5.869 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.320 -7.886 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.986 -8.315 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.624 -9.302 5.552 1.00 0.00 H new ATOM 272 N LYS A 18 4.420 -9.418 10.387 1.00 0.00 N ATOM 273 CA LYS A 18 5.341 -9.819 11.463 1.00 0.00 C ATOM 274 C LYS A 18 5.151 -11.308 11.833 1.00 0.00 C ATOM 275 O LYS A 18 6.107 -11.990 12.193 1.00 0.00 O ATOM 276 CB LYS A 18 5.106 -8.902 12.688 1.00 0.00 C ATOM 277 CG LYS A 18 5.474 -7.413 12.450 1.00 0.00 C ATOM 278 CD LYS A 18 4.936 -6.462 13.550 1.00 0.00 C ATOM 279 CE LYS A 18 5.462 -6.790 14.960 1.00 0.00 C ATOM 280 NZ LYS A 18 4.889 -5.882 15.985 1.00 0.00 N ATOM 0 H LYS A 18 3.739 -8.717 10.678 1.00 0.00 H new ATOM 0 HA LYS A 18 6.370 -9.707 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.057 -8.963 12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.691 -9.279 13.527 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.559 -7.319 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.079 -7.099 11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.210 -5.437 13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.847 -6.508 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.215 -7.822 15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.549 -6.711 14.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.410 -5.994 16.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.967 -4.897 15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.888 -6.118 16.137 1.00 0.00 H new ATOM 294 N HIS A 19 3.898 -11.797 11.711 1.00 0.00 N ATOM 295 CA HIS A 19 3.524 -13.208 11.978 1.00 0.00 C ATOM 296 C HIS A 19 3.732 -14.121 10.739 1.00 0.00 C ATOM 297 O HIS A 19 3.257 -15.257 10.737 1.00 0.00 O ATOM 298 CB HIS A 19 2.041 -13.274 12.437 1.00 0.00 C ATOM 299 CG HIS A 19 1.723 -12.492 13.695 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.567 -11.753 13.858 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.421 -12.325 14.844 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.573 -11.174 15.041 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.682 -11.503 15.662 1.00 0.00 N ATOM 0 H HIS A 19 3.108 -11.220 11.422 1.00 0.00 H new ATOM 0 HA HIS A 19 4.180 -13.578 12.766 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.410 -12.905 11.629 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.773 -14.318 12.599 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.383 -12.759 15.075 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.204 -10.536 15.434 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.951 -11.199 16.598 1.00 0.00 H new ATOM 312 N ASP A 20 4.420 -13.595 9.687 1.00 0.00 N ATOM 313 CA ASP A 20 4.713 -14.312 8.399 1.00 0.00 C ATOM 314 C ASP A 20 3.458 -14.424 7.479 1.00 0.00 C ATOM 315 O ASP A 20 3.562 -14.838 6.318 1.00 0.00 O ATOM 316 CB ASP A 20 5.373 -15.717 8.645 1.00 0.00 C ATOM 317 CG ASP A 20 5.781 -16.465 7.351 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.718 -16.008 6.663 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.167 -17.501 7.009 1.00 0.00 O ATOM 0 H ASP A 20 4.795 -12.647 9.704 1.00 0.00 H new ATOM 0 HA ASP A 20 5.440 -13.699 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.257 -15.586 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.676 -16.340 9.206 1.00 0.00 H new ATOM 324 N ASN A 21 2.286 -14.012 7.985 1.00 0.00 N ATOM 325 CA ASN A 21 1.005 -14.058 7.255 1.00 0.00 C ATOM 326 C ASN A 21 0.883 -12.862 6.288 1.00 0.00 C ATOM 327 O ASN A 21 0.040 -11.965 6.461 1.00 0.00 O ATOM 328 CB ASN A 21 -0.175 -14.114 8.272 1.00 0.00 C ATOM 329 CG ASN A 21 -0.193 -15.399 9.112 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.525 -15.382 10.299 1.00 0.00 O ATOM 331 ND2 ASN A 21 0.107 -16.532 8.498 1.00 0.00 N ATOM 0 H ASN A 21 2.198 -13.631 8.927 1.00 0.00 H new ATOM 0 HA ASN A 21 0.967 -14.961 6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.112 -13.254 8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.117 -14.029 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.066 -17.415 9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.379 -16.523 7.515 1.00 0.00 H new ATOM 338 N ALA A 22 1.735 -12.883 5.251 1.00 0.00 N ATOM 339 CA ALA A 22 1.827 -11.825 4.239 1.00 0.00 C ATOM 340 C ALA A 22 0.568 -11.783 3.368 1.00 0.00 C ATOM 341 O ALA A 22 0.066 -10.704 3.065 1.00 0.00 O ATOM 342 CB ALA A 22 3.077 -12.040 3.377 1.00 0.00 C ATOM 0 H ALA A 22 2.389 -13.649 5.092 1.00 0.00 H new ATOM 0 HA ALA A 22 1.907 -10.864 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.141 -11.252 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.964 -12.012 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.015 -13.009 2.881 1.00 0.00 H new ATOM 348 N SER A 23 0.084 -12.975 2.976 1.00 0.00 N ATOM 349 CA SER A 23 -1.114 -13.137 2.133 1.00 0.00 C ATOM 350 C SER A 23 -2.399 -12.655 2.847 1.00 0.00 C ATOM 351 O SER A 23 -3.333 -12.188 2.185 1.00 0.00 O ATOM 352 CB SER A 23 -1.242 -14.613 1.701 1.00 0.00 C ATOM 353 OG SER A 23 -2.311 -14.813 0.793 1.00 0.00 O ATOM 0 H SER A 23 0.517 -13.861 3.238 1.00 0.00 H new ATOM 0 HA SER A 23 -0.996 -12.510 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.309 -14.937 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.394 -15.236 2.582 1.00 0.00 H new ATOM 0 HG SER A 23 -2.356 -15.760 0.544 1.00 0.00 H new ATOM 359 N ARG A 24 -2.439 -12.749 4.192 1.00 0.00 N ATOM 360 CA ARG A 24 -3.587 -12.283 4.994 1.00 0.00 C ATOM 361 C ARG A 24 -3.578 -10.750 5.095 1.00 0.00 C ATOM 362 O ARG A 24 -4.624 -10.091 4.984 1.00 0.00 O ATOM 363 CB ARG A 24 -3.542 -12.924 6.407 1.00 0.00 C ATOM 364 CG ARG A 24 -3.561 -14.470 6.410 1.00 0.00 C ATOM 365 CD ARG A 24 -4.833 -15.056 5.773 1.00 0.00 C ATOM 366 NE ARG A 24 -4.808 -16.534 5.718 1.00 0.00 N ATOM 367 CZ ARG A 24 -5.658 -17.306 5.015 1.00 0.00 C ATOM 368 NH1 ARG A 24 -6.642 -16.766 4.301 1.00 0.00 N ATOM 369 NH2 ARG A 24 -5.504 -18.623 5.034 1.00 0.00 N ATOM 0 H ARG A 24 -1.682 -13.147 4.748 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.511 -12.589 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.642 -12.583 6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.393 -12.562 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.688 -14.840 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.478 -14.827 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.704 -14.731 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.946 -14.660 4.764 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.085 -17.009 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.761 -15.753 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.278 -17.365 3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.748 -19.040 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.141 -19.219 4.506 1.00 0.00 H new ATOM 383 N ALA A 25 -2.366 -10.199 5.284 1.00 0.00 N ATOM 384 CA ALA A 25 -2.130 -8.748 5.293 1.00 0.00 C ATOM 385 C ALA A 25 -2.439 -8.146 3.920 1.00 0.00 C ATOM 386 O ALA A 25 -2.960 -7.028 3.824 1.00 0.00 O ATOM 387 CB ALA A 25 -0.680 -8.464 5.671 1.00 0.00 C ATOM 0 H ALA A 25 -1.522 -10.751 5.435 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.791 -8.290 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.510 -7.387 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.477 -8.869 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.016 -8.933 4.945 1.00 0.00 H new ATOM 393 N LEU A 26 -2.136 -8.943 2.874 1.00 0.00 N ATOM 394 CA LEU A 26 -2.351 -8.580 1.472 1.00 0.00 C ATOM 395 C LEU A 26 -3.838 -8.307 1.257 1.00 0.00 C ATOM 396 O LEU A 26 -4.200 -7.233 0.817 1.00 0.00 O ATOM 397 CB LEU A 26 -1.861 -9.718 0.535 1.00 0.00 C ATOM 398 CG LEU A 26 -1.783 -9.382 -0.985 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.651 -8.377 -1.278 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.621 -10.662 -1.835 1.00 0.00 C ATOM 0 H LEU A 26 -1.729 -9.871 2.990 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.779 -7.683 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.871 -10.030 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.524 -10.574 0.662 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.726 -8.913 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.622 -8.163 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.832 -7.454 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.303 -8.803 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.570 -10.394 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.705 -11.177 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.474 -11.320 -1.669 1.00 0.00 H new ATOM 412 N ALA A 27 -4.669 -9.289 1.659 1.00 0.00 N ATOM 413 CA ALA A 27 -6.139 -9.208 1.598 1.00 0.00 C ATOM 414 C ALA A 27 -6.688 -7.925 2.256 1.00 0.00 C ATOM 415 O ALA A 27 -7.560 -7.260 1.690 1.00 0.00 O ATOM 416 CB ALA A 27 -6.749 -10.452 2.263 1.00 0.00 C ATOM 0 H ALA A 27 -4.331 -10.173 2.040 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.425 -9.170 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.836 -10.392 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.413 -11.347 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.431 -10.501 3.304 1.00 0.00 H new ATOM 422 N LEU A 28 -6.161 -7.588 3.452 1.00 0.00 N ATOM 423 CA LEU A 28 -6.620 -6.411 4.222 1.00 0.00 C ATOM 424 C LEU A 28 -6.330 -5.094 3.494 1.00 0.00 C ATOM 425 O LEU A 28 -7.197 -4.212 3.449 1.00 0.00 O ATOM 426 CB LEU A 28 -6.009 -6.388 5.650 1.00 0.00 C ATOM 427 CG LEU A 28 -6.392 -7.594 6.564 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.882 -7.394 8.004 1.00 0.00 C ATOM 429 CD2 LEU A 28 -7.915 -7.846 6.557 1.00 0.00 C ATOM 0 H LEU A 28 -5.416 -8.115 3.907 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.702 -6.506 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.923 -6.352 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.319 -5.467 6.144 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.902 -8.477 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.166 -8.252 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.796 -7.299 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.322 -6.490 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.147 -8.692 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.432 -6.959 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.243 -8.065 5.541 1.00 0.00 H new ATOM 441 N PHE A 29 -5.121 -4.982 2.916 1.00 0.00 N ATOM 442 CA PHE A 29 -4.699 -3.781 2.185 1.00 0.00 C ATOM 443 C PHE A 29 -5.461 -3.663 0.838 1.00 0.00 C ATOM 444 O PHE A 29 -5.930 -2.585 0.487 1.00 0.00 O ATOM 445 CB PHE A 29 -3.171 -3.781 1.939 1.00 0.00 C ATOM 446 CG PHE A 29 -2.277 -3.624 3.177 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.494 -2.595 4.095 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.189 -4.479 3.395 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.664 -2.434 5.191 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.365 -4.317 4.496 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.600 -3.293 5.391 1.00 0.00 C ATOM 0 H PHE A 29 -4.415 -5.718 2.944 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.943 -2.916 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.906 -4.715 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.937 -2.974 1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.320 -1.915 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.990 -5.276 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.849 -1.634 5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.462 -4.993 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.047 -3.163 6.246 1.00 0.00 H new ATOM 461 N GLU A 30 -5.563 -4.781 0.097 1.00 0.00 N ATOM 462 CA GLU A 30 -6.333 -4.852 -1.169 1.00 0.00 C ATOM 463 C GLU A 30 -7.785 -4.382 -0.962 1.00 0.00 C ATOM 464 O GLU A 30 -8.311 -3.593 -1.759 1.00 0.00 O ATOM 465 CB GLU A 30 -6.312 -6.296 -1.743 1.00 0.00 C ATOM 466 CG GLU A 30 -4.917 -6.801 -2.174 1.00 0.00 C ATOM 467 CD GLU A 30 -4.931 -8.266 -2.653 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.303 -9.156 -1.856 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.595 -8.529 -3.829 1.00 0.00 O ATOM 0 H GLU A 30 -5.117 -5.662 0.354 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.857 -4.184 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.713 -6.976 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.981 -6.340 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.538 -6.166 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.226 -6.705 -1.336 1.00 0.00 H new ATOM 476 N GLU A 31 -8.414 -4.847 0.137 1.00 0.00 N ATOM 477 CA GLU A 31 -9.795 -4.473 0.455 1.00 0.00 C ATOM 478 C GLU A 31 -9.883 -2.997 0.881 1.00 0.00 C ATOM 479 O GLU A 31 -10.867 -2.336 0.572 1.00 0.00 O ATOM 480 CB GLU A 31 -10.426 -5.390 1.525 1.00 0.00 C ATOM 481 CG GLU A 31 -11.977 -5.308 1.564 1.00 0.00 C ATOM 482 CD GLU A 31 -12.618 -6.014 2.763 1.00 0.00 C ATOM 483 OE1 GLU A 31 -12.294 -7.190 3.017 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.430 -5.389 3.477 1.00 0.00 O ATOM 0 H GLU A 31 -7.984 -5.479 0.812 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.373 -4.607 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.128 -6.421 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.030 -5.121 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.273 -4.259 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.375 -5.742 0.647 1.00 0.00 H new ATOM 491 N LEU A 32 -8.839 -2.495 1.575 1.00 0.00 N ATOM 492 CA LEU A 32 -8.737 -1.064 1.949 1.00 0.00 C ATOM 493 C LEU A 32 -8.767 -0.161 0.699 1.00 0.00 C ATOM 494 O LEU A 32 -9.423 0.869 0.717 1.00 0.00 O ATOM 495 CB LEU A 32 -7.457 -0.776 2.790 1.00 0.00 C ATOM 496 CG LEU A 32 -7.569 -1.007 4.332 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.177 -1.128 5.002 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.388 0.131 4.990 1.00 0.00 C ATOM 0 H LEU A 32 -8.051 -3.061 1.890 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.604 -0.833 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.650 -1.402 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.163 0.260 2.621 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.088 -1.953 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.301 -1.288 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.637 -1.970 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.612 -0.211 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.457 -0.044 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.894 1.086 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.390 0.153 4.561 1.00 0.00 H new ATOM 510 N VAL A 33 -8.048 -0.571 -0.364 1.00 0.00 N ATOM 511 CA VAL A 33 -8.027 0.140 -1.664 1.00 0.00 C ATOM 512 C VAL A 33 -9.439 0.228 -2.281 1.00 0.00 C ATOM 513 O VAL A 33 -9.896 1.316 -2.649 1.00 0.00 O ATOM 514 CB VAL A 33 -7.039 -0.577 -2.673 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.116 0.001 -4.108 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.588 -0.515 -2.157 1.00 0.00 C ATOM 0 H VAL A 33 -7.463 -1.406 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.673 1.154 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.361 -1.617 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.416 -0.531 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.128 -0.118 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.858 1.060 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.928 -1.014 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.284 0.526 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.524 -1.014 -1.190 1.00 0.00 H new ATOM 526 N GLU A 34 -10.108 -0.928 -2.412 1.00 0.00 N ATOM 527 CA GLU A 34 -11.429 -1.004 -3.064 1.00 0.00 C ATOM 528 C GLU A 34 -12.560 -0.366 -2.223 1.00 0.00 C ATOM 529 O GLU A 34 -13.518 0.141 -2.802 1.00 0.00 O ATOM 530 CB GLU A 34 -11.766 -2.469 -3.446 1.00 0.00 C ATOM 531 CG GLU A 34 -11.908 -3.428 -2.253 1.00 0.00 C ATOM 532 CD GLU A 34 -12.049 -4.904 -2.650 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.182 -5.361 -2.900 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.018 -5.614 -2.731 1.00 0.00 O ATOM 0 H GLU A 34 -9.757 -1.825 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.364 -0.411 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.696 -2.477 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.986 -2.846 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.037 -3.318 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.779 -3.135 -1.667 1.00 0.00 H new ATOM 541 N THR A 35 -12.465 -0.375 -0.872 1.00 0.00 N ATOM 542 CA THR A 35 -13.517 0.213 -0.001 1.00 0.00 C ATOM 543 C THR A 35 -13.258 1.715 0.230 1.00 0.00 C ATOM 544 O THR A 35 -14.204 2.494 0.396 1.00 0.00 O ATOM 545 CB THR A 35 -13.639 -0.539 1.379 1.00 0.00 C ATOM 546 OG1 THR A 35 -14.851 -0.152 2.074 1.00 0.00 O ATOM 547 CG2 THR A 35 -12.427 -0.281 2.297 1.00 0.00 C ATOM 0 H THR A 35 -11.679 -0.779 -0.363 1.00 0.00 H new ATOM 0 HA THR A 35 -14.466 0.092 -0.524 1.00 0.00 H new ATOM 0 HB THR A 35 -13.671 -1.603 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.907 -0.632 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.559 -0.821 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.518 -0.626 1.805 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.346 0.787 2.501 1.00 0.00 H new ATOM 555 N ASP A 36 -11.969 2.108 0.232 1.00 0.00 N ATOM 556 CA ASP A 36 -11.549 3.499 0.422 1.00 0.00 C ATOM 557 C ASP A 36 -10.295 3.759 -0.420 1.00 0.00 C ATOM 558 O ASP A 36 -9.160 3.537 0.043 1.00 0.00 O ATOM 559 CB ASP A 36 -11.268 3.828 1.911 1.00 0.00 C ATOM 560 CG ASP A 36 -10.938 5.323 2.156 1.00 0.00 C ATOM 561 OD1 ASP A 36 -11.578 6.199 1.533 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.076 5.631 3.002 1.00 0.00 O ATOM 0 H ASP A 36 -11.191 1.462 0.101 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.364 4.148 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.138 3.552 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.436 3.217 2.260 1.00 0.00 H new ATOM 567 N PRO A 37 -10.477 4.213 -1.691 1.00 0.00 N ATOM 568 CA PRO A 37 -9.356 4.617 -2.569 1.00 0.00 C ATOM 569 C PRO A 37 -8.524 5.796 -2.015 1.00 0.00 C ATOM 570 O PRO A 37 -7.451 6.087 -2.539 1.00 0.00 O ATOM 571 CB PRO A 37 -10.055 4.996 -3.905 1.00 0.00 C ATOM 572 CG PRO A 37 -11.481 5.252 -3.528 1.00 0.00 C ATOM 573 CD PRO A 37 -11.782 4.311 -2.399 1.00 0.00 C ATOM 0 HA PRO A 37 -8.625 3.815 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.599 5.879 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.977 4.191 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.624 6.288 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.146 5.074 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.566 4.698 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.119 3.340 -2.761 1.00 0.00 H new ATOM 581 N ASP A 38 -9.015 6.437 -0.947 1.00 0.00 N ATOM 582 CA ASP A 38 -8.428 7.659 -0.388 1.00 0.00 C ATOM 583 C ASP A 38 -7.537 7.385 0.844 1.00 0.00 C ATOM 584 O ASP A 38 -7.115 8.341 1.509 1.00 0.00 O ATOM 585 CB ASP A 38 -9.570 8.643 -0.034 1.00 0.00 C ATOM 586 CG ASP A 38 -10.324 9.165 -1.271 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.126 8.408 -1.861 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.127 10.338 -1.661 1.00 0.00 O ATOM 0 H ASP A 38 -9.841 6.117 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.773 8.097 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.276 8.146 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.156 9.489 0.515 1.00 0.00 H new ATOM 593 N TYR A 39 -7.177 6.106 1.125 1.00 0.00 N ATOM 594 CA TYR A 39 -6.359 5.778 2.314 1.00 0.00 C ATOM 595 C TYR A 39 -4.927 5.532 1.827 1.00 0.00 C ATOM 596 O TYR A 39 -4.590 4.434 1.375 1.00 0.00 O ATOM 597 CB TYR A 39 -6.906 4.552 3.100 1.00 0.00 C ATOM 598 CG TYR A 39 -6.316 4.426 4.526 1.00 0.00 C ATOM 599 CD1 TYR A 39 -6.852 5.151 5.594 1.00 0.00 C ATOM 600 CD2 TYR A 39 -5.233 3.588 4.802 1.00 0.00 C ATOM 601 CE1 TYR A 39 -6.326 5.042 6.870 1.00 0.00 C ATOM 602 CE2 TYR A 39 -4.706 3.475 6.070 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.256 4.196 7.102 1.00 0.00 C ATOM 604 OH TYR A 39 -4.730 4.076 8.376 1.00 0.00 O ATOM 0 H TYR A 39 -7.436 5.301 0.554 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.393 6.609 3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.991 4.628 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.685 3.643 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.692 5.808 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.797 3.013 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.749 5.615 7.681 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.865 2.823 6.252 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.984 3.440 8.363 1.00 0.00 H new ATOM 614 N VAL A 40 -4.104 6.584 1.909 1.00 0.00 N ATOM 615 CA VAL A 40 -2.750 6.625 1.331 1.00 0.00 C ATOM 616 C VAL A 40 -1.803 5.600 1.997 1.00 0.00 C ATOM 617 O VAL A 40 -0.939 5.012 1.326 1.00 0.00 O ATOM 618 CB VAL A 40 -2.154 8.073 1.484 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.796 8.211 0.768 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.153 9.149 0.986 1.00 0.00 C ATOM 0 H VAL A 40 -4.362 7.447 2.387 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.832 6.362 0.276 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.983 8.238 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.418 9.225 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.086 7.502 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.922 8.004 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.711 10.138 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.379 8.977 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.072 9.089 1.569 1.00 0.00 H new ATOM 630 N GLY A 41 -2.005 5.385 3.317 1.00 0.00 N ATOM 631 CA GLY A 41 -1.181 4.464 4.115 1.00 0.00 C ATOM 632 C GLY A 41 -1.224 3.036 3.598 1.00 0.00 C ATOM 633 O GLY A 41 -0.223 2.320 3.646 1.00 0.00 O ATOM 0 H GLY A 41 -2.742 5.845 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.149 4.815 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.523 4.481 5.150 1.00 0.00 H new ATOM 637 N THR A 42 -2.397 2.638 3.080 1.00 0.00 N ATOM 638 CA THR A 42 -2.589 1.341 2.436 1.00 0.00 C ATOM 639 C THR A 42 -1.630 1.161 1.252 1.00 0.00 C ATOM 640 O THR A 42 -0.904 0.184 1.200 1.00 0.00 O ATOM 641 CB THR A 42 -4.053 1.188 1.935 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.943 1.195 3.047 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.257 -0.098 1.134 1.00 0.00 C ATOM 0 H THR A 42 -3.239 3.214 3.099 1.00 0.00 H new ATOM 0 HA THR A 42 -2.378 0.574 3.181 1.00 0.00 H new ATOM 0 HB THR A 42 -4.262 2.030 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.690 1.803 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.294 -0.161 0.805 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.600 -0.093 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.022 -0.958 1.761 1.00 0.00 H new ATOM 651 N TYR A 43 -1.626 2.155 0.342 1.00 0.00 N ATOM 652 CA TYR A 43 -0.969 2.053 -0.976 1.00 0.00 C ATOM 653 C TYR A 43 0.532 1.766 -0.885 1.00 0.00 C ATOM 654 O TYR A 43 1.049 0.934 -1.641 1.00 0.00 O ATOM 655 CB TYR A 43 -1.243 3.324 -1.811 1.00 0.00 C ATOM 656 CG TYR A 43 -2.701 3.401 -2.275 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.130 2.644 -3.366 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.648 4.186 -1.618 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.431 2.670 -3.786 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.961 4.202 -2.034 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.339 3.446 -3.120 1.00 0.00 C ATOM 662 OH TYR A 43 -6.637 3.447 -3.535 1.00 0.00 O ATOM 0 H TYR A 43 -2.080 3.054 0.501 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.407 1.191 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.004 4.206 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.585 3.336 -2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.418 2.024 -3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.348 4.788 -0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.739 2.082 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.689 4.804 -1.511 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.730 4.030 -4.317 1.00 0.00 H new ATOM 672 N TYR A 44 1.224 2.473 0.017 1.00 0.00 N ATOM 673 CA TYR A 44 2.652 2.239 0.265 1.00 0.00 C ATOM 674 C TYR A 44 2.901 0.801 0.750 1.00 0.00 C ATOM 675 O TYR A 44 3.610 0.037 0.106 1.00 0.00 O ATOM 676 CB TYR A 44 3.195 3.272 1.286 1.00 0.00 C ATOM 677 CG TYR A 44 4.729 3.335 1.331 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.446 3.863 0.253 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.458 2.861 2.427 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.821 3.919 0.266 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.838 2.919 2.443 1.00 0.00 C ATOM 682 CZ TYR A 44 7.514 3.446 1.357 1.00 0.00 C ATOM 683 OH TYR A 44 8.889 3.500 1.363 1.00 0.00 O ATOM 0 H TYR A 44 0.817 3.213 0.588 1.00 0.00 H new ATOM 0 HA TYR A 44 3.190 2.367 -0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.805 4.259 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.819 3.023 2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.910 4.235 -0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.934 2.443 3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.354 4.333 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.387 2.555 3.299 1.00 0.00 H new ATOM 0 HH TYR A 44 9.227 3.128 2.204 1.00 0.00 H new ATOM 693 N HIS A 45 2.232 0.441 1.850 1.00 0.00 N ATOM 694 CA HIS A 45 2.462 -0.835 2.563 1.00 0.00 C ATOM 695 C HIS A 45 1.994 -2.058 1.736 1.00 0.00 C ATOM 696 O HIS A 45 2.577 -3.141 1.841 1.00 0.00 O ATOM 697 CB HIS A 45 1.805 -0.778 3.972 1.00 0.00 C ATOM 698 CG HIS A 45 2.422 0.262 4.879 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.157 -0.048 5.998 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.438 1.614 4.798 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.587 1.063 6.561 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.163 2.085 5.852 1.00 0.00 N ATOM 0 H HIS A 45 1.512 1.023 2.278 1.00 0.00 H new ATOM 0 HA HIS A 45 3.535 -0.968 2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.741 -0.568 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.889 -1.757 4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.962 2.212 4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.188 1.124 7.456 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.346 3.067 6.056 1.00 0.00 H new ATOM 711 N LEU A 46 0.982 -1.851 0.884 1.00 0.00 N ATOM 712 CA LEU A 46 0.464 -2.881 -0.035 1.00 0.00 C ATOM 713 C LEU A 46 1.449 -3.099 -1.185 1.00 0.00 C ATOM 714 O LEU A 46 1.682 -4.237 -1.599 1.00 0.00 O ATOM 715 CB LEU A 46 -0.922 -2.471 -0.602 1.00 0.00 C ATOM 716 CG LEU A 46 -1.562 -3.451 -1.644 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.688 -4.894 -1.101 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.928 -2.941 -2.136 1.00 0.00 C ATOM 0 H LEU A 46 0.494 -0.958 0.810 1.00 0.00 H new ATOM 0 HA LEU A 46 0.348 -3.810 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.614 -2.359 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.825 -1.491 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.879 -3.480 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.137 -5.531 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.699 -5.275 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.317 -4.894 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.341 -3.646 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.608 -2.847 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.804 -1.968 -2.611 1.00 0.00 H new ATOM 730 N GLY A 47 2.010 -1.989 -1.690 1.00 0.00 N ATOM 731 CA GLY A 47 2.936 -2.023 -2.807 1.00 0.00 C ATOM 732 C GLY A 47 4.253 -2.688 -2.443 1.00 0.00 C ATOM 733 O GLY A 47 4.741 -3.545 -3.181 1.00 0.00 O ATOM 0 H GLY A 47 1.828 -1.052 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.479 -2.558 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.127 -1.006 -3.149 1.00 0.00 H new ATOM 737 N LYS A 48 4.821 -2.301 -1.280 1.00 0.00 N ATOM 738 CA LYS A 48 6.085 -2.874 -0.781 1.00 0.00 C ATOM 739 C LYS A 48 5.917 -4.391 -0.554 1.00 0.00 C ATOM 740 O LYS A 48 6.828 -5.176 -0.827 1.00 0.00 O ATOM 741 CB LYS A 48 6.546 -2.178 0.534 1.00 0.00 C ATOM 742 CG LYS A 48 6.673 -0.628 0.479 1.00 0.00 C ATOM 743 CD LYS A 48 7.641 -0.066 -0.602 1.00 0.00 C ATOM 744 CE LYS A 48 9.139 -0.263 -0.299 1.00 0.00 C ATOM 745 NZ LYS A 48 9.580 -1.679 -0.342 1.00 0.00 N ATOM 0 H LYS A 48 4.420 -1.590 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 48 6.856 -2.704 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.842 -2.437 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.513 -2.592 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.682 -0.207 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.004 -0.275 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.413 -0.542 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.447 1.000 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.724 0.311 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.357 0.145 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.577 -1.723 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.478 -2.103 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.995 -2.204 -1.023 1.00 0.00 H new ATOM 759 N LEU A 49 4.722 -4.775 -0.060 1.00 0.00 N ATOM 760 CA LEU A 49 4.328 -6.181 0.145 1.00 0.00 C ATOM 761 C LEU A 49 4.250 -6.950 -1.196 1.00 0.00 C ATOM 762 O LEU A 49 4.702 -8.102 -1.281 1.00 0.00 O ATOM 763 CB LEU A 49 2.981 -6.220 0.915 1.00 0.00 C ATOM 764 CG LEU A 49 2.329 -7.622 1.161 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.323 -8.616 1.801 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.057 -7.471 2.026 1.00 0.00 C ATOM 0 H LEU A 49 3.997 -4.110 0.210 1.00 0.00 H new ATOM 0 HA LEU A 49 5.089 -6.685 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.134 -5.745 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.264 -5.607 0.369 1.00 0.00 H new ATOM 0 HG LEU A 49 2.048 -8.036 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.830 -9.576 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.180 -8.750 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.662 -8.225 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.611 -8.452 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.320 -7.026 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.342 -6.829 1.512 1.00 0.00 H new ATOM 778 N TYR A 50 3.661 -6.303 -2.220 1.00 0.00 N ATOM 779 CA TYR A 50 3.599 -6.835 -3.597 1.00 0.00 C ATOM 780 C TYR A 50 4.998 -7.190 -4.126 1.00 0.00 C ATOM 781 O TYR A 50 5.199 -8.274 -4.661 1.00 0.00 O ATOM 782 CB TYR A 50 2.894 -5.830 -4.564 1.00 0.00 C ATOM 783 CG TYR A 50 1.361 -5.933 -4.624 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.731 -7.181 -4.678 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.546 -4.797 -4.666 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.640 -7.290 -4.764 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.828 -4.910 -4.759 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.414 -6.157 -4.801 1.00 0.00 C ATOM 789 OH TYR A 50 -2.782 -6.271 -4.880 1.00 0.00 O ATOM 0 H TYR A 50 3.213 -5.393 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 50 3.006 -7.749 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.161 -4.817 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.290 -5.980 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.332 -8.078 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.997 -3.817 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.104 -8.264 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.442 -4.022 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.066 -7.107 -4.454 1.00 0.00 H new ATOM 799 N GLU A 51 5.960 -6.276 -3.934 1.00 0.00 N ATOM 800 CA GLU A 51 7.355 -6.446 -4.404 1.00 0.00 C ATOM 801 C GLU A 51 8.022 -7.699 -3.792 1.00 0.00 C ATOM 802 O GLU A 51 8.813 -8.372 -4.463 1.00 0.00 O ATOM 803 CB GLU A 51 8.157 -5.173 -4.059 1.00 0.00 C ATOM 804 CG GLU A 51 7.599 -3.896 -4.722 1.00 0.00 C ATOM 805 CD GLU A 51 8.160 -2.576 -4.174 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.762 -2.562 -3.074 1.00 0.00 O ATOM 807 OE2 GLU A 51 7.968 -1.533 -4.819 1.00 0.00 O ATOM 0 H GLU A 51 5.799 -5.394 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 51 7.344 -6.595 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.163 -5.039 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.193 -5.311 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.803 -3.943 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.515 -3.888 -4.604 1.00 0.00 H new ATOM 814 N ARG A 52 7.664 -8.012 -2.527 1.00 0.00 N ATOM 815 CA ARG A 52 8.163 -9.218 -1.806 1.00 0.00 C ATOM 816 C ARG A 52 7.651 -10.507 -2.491 1.00 0.00 C ATOM 817 O ARG A 52 8.357 -11.516 -2.567 1.00 0.00 O ATOM 818 CB ARG A 52 7.687 -9.200 -0.328 1.00 0.00 C ATOM 819 CG ARG A 52 8.014 -7.910 0.452 1.00 0.00 C ATOM 820 CD ARG A 52 7.410 -7.903 1.871 1.00 0.00 C ATOM 821 NE ARG A 52 8.073 -8.874 2.764 1.00 0.00 N ATOM 822 CZ ARG A 52 7.566 -9.352 3.911 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.318 -9.072 4.283 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.305 -10.146 4.669 1.00 0.00 N ATOM 0 H ARG A 52 7.024 -7.442 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 52 9.253 -9.204 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.608 -9.353 -0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.138 -10.045 0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.096 -7.797 0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.638 -7.050 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.497 -6.903 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.346 -8.133 1.812 1.00 0.00 H new ATOM 0 HE ARG A 52 8.995 -9.210 2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.729 -8.485 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.951 -9.445 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.252 -10.390 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.927 -10.514 5.542 1.00 0.00 H new ATOM 838 N LEU A 53 6.407 -10.429 -3.001 1.00 0.00 N ATOM 839 CA LEU A 53 5.731 -11.530 -3.722 1.00 0.00 C ATOM 840 C LEU A 53 6.058 -11.508 -5.240 1.00 0.00 C ATOM 841 O LEU A 53 5.392 -12.196 -6.027 1.00 0.00 O ATOM 842 CB LEU A 53 4.197 -11.399 -3.492 1.00 0.00 C ATOM 843 CG LEU A 53 3.724 -11.429 -1.999 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.212 -11.129 -1.881 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.074 -12.782 -1.327 1.00 0.00 C ATOM 0 H LEU A 53 5.834 -9.589 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 53 6.091 -12.483 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.860 -10.464 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.699 -12.207 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 53 4.261 -10.642 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.916 -11.158 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.004 -10.140 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.648 -11.878 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.733 -12.773 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.582 -13.593 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.153 -12.933 -1.353 1.00 0.00 H new ATOM 857 N ASP A 54 7.087 -10.713 -5.631 1.00 0.00 N ATOM 858 CA ASP A 54 7.537 -10.524 -7.041 1.00 0.00 C ATOM 859 C ASP A 54 6.433 -9.890 -7.940 1.00 0.00 C ATOM 860 O ASP A 54 6.515 -9.894 -9.173 1.00 0.00 O ATOM 861 CB ASP A 54 8.099 -11.863 -7.620 1.00 0.00 C ATOM 862 CG ASP A 54 8.867 -11.695 -8.946 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.917 -11.016 -8.950 1.00 0.00 O ATOM 864 OD2 ASP A 54 8.426 -12.235 -9.988 1.00 0.00 O ATOM 0 H ASP A 54 7.640 -10.174 -4.965 1.00 0.00 H new ATOM 0 HA ASP A 54 8.353 -9.801 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.761 -12.317 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.272 -12.556 -7.775 1.00 0.00 H new ATOM 869 N ARG A 55 5.437 -9.278 -7.293 1.00 0.00 N ATOM 870 CA ARG A 55 4.330 -8.568 -7.961 1.00 0.00 C ATOM 871 C ARG A 55 4.667 -7.065 -8.019 1.00 0.00 C ATOM 872 O ARG A 55 3.864 -6.212 -7.633 1.00 0.00 O ATOM 873 CB ARG A 55 2.991 -8.829 -7.207 1.00 0.00 C ATOM 874 CG ARG A 55 2.608 -10.318 -7.034 1.00 0.00 C ATOM 875 CD ARG A 55 2.562 -11.089 -8.368 1.00 0.00 C ATOM 876 NE ARG A 55 1.592 -10.518 -9.319 1.00 0.00 N ATOM 877 CZ ARG A 55 1.474 -10.867 -10.608 1.00 0.00 C ATOM 878 NH1 ARG A 55 2.320 -11.727 -11.171 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.537 -10.293 -11.353 1.00 0.00 N ATOM 0 H ARG A 55 5.371 -9.259 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 55 4.205 -8.937 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.054 -8.370 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.187 -8.324 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.327 -10.797 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.633 -10.383 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.554 -11.085 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.305 -12.130 -8.173 1.00 0.00 H new ATOM 0 HE ARG A 55 0.959 -9.799 -8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.076 -12.134 -10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.212 -11.979 -12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.083 -9.595 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.438 -10.550 -12.335 1.00 0.00 H new ATOM 893 N THR A 56 5.875 -6.765 -8.519 1.00 0.00 N ATOM 894 CA THR A 56 6.406 -5.396 -8.598 1.00 0.00 C ATOM 895 C THR A 56 5.556 -4.524 -9.549 1.00 0.00 C ATOM 896 O THR A 56 5.396 -3.336 -9.314 1.00 0.00 O ATOM 897 CB THR A 56 7.900 -5.406 -9.056 1.00 0.00 C ATOM 898 OG1 THR A 56 8.642 -6.343 -8.267 1.00 0.00 O ATOM 899 CG2 THR A 56 8.569 -4.025 -8.933 1.00 0.00 C ATOM 0 H THR A 56 6.515 -7.471 -8.883 1.00 0.00 H new ATOM 0 HA THR A 56 6.354 -4.961 -7.600 1.00 0.00 H new ATOM 0 HB THR A 56 7.904 -5.690 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.578 -6.347 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.605 -4.092 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.035 -3.305 -9.554 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.541 -3.699 -7.893 1.00 0.00 H new ATOM 907 N ASP A 57 4.973 -5.146 -10.591 1.00 0.00 N ATOM 908 CA ASP A 57 4.082 -4.460 -11.552 1.00 0.00 C ATOM 909 C ASP A 57 2.761 -4.051 -10.868 1.00 0.00 C ATOM 910 O ASP A 57 2.230 -2.958 -11.127 1.00 0.00 O ATOM 911 CB ASP A 57 3.810 -5.368 -12.781 1.00 0.00 C ATOM 912 CG ASP A 57 2.795 -4.773 -13.780 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.130 -3.795 -14.472 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.667 -5.290 -13.887 1.00 0.00 O ATOM 0 H ASP A 57 5.105 -6.137 -10.792 1.00 0.00 H new ATOM 0 HA ASP A 57 4.578 -3.554 -11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.751 -5.554 -13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.441 -6.333 -12.434 1.00 0.00 H new ATOM 919 N ASP A 58 2.247 -4.945 -9.993 1.00 0.00 N ATOM 920 CA ASP A 58 1.089 -4.648 -9.118 1.00 0.00 C ATOM 921 C ASP A 58 1.415 -3.451 -8.219 1.00 0.00 C ATOM 922 O ASP A 58 0.579 -2.571 -8.025 1.00 0.00 O ATOM 923 CB ASP A 58 0.714 -5.863 -8.225 1.00 0.00 C ATOM 924 CG ASP A 58 0.040 -7.009 -8.977 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.715 -7.684 -9.771 1.00 0.00 O ATOM 926 OD2 ASP A 58 -1.171 -7.237 -8.784 1.00 0.00 O ATOM 0 H ASP A 58 2.620 -5.887 -9.874 1.00 0.00 H new ATOM 0 HA ASP A 58 0.239 -4.421 -9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.618 -6.240 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.049 -5.524 -7.430 1.00 0.00 H new ATOM 931 N ALA A 59 2.656 -3.436 -7.691 1.00 0.00 N ATOM 932 CA ALA A 59 3.149 -2.369 -6.814 1.00 0.00 C ATOM 933 C ALA A 59 3.108 -1.010 -7.527 1.00 0.00 C ATOM 934 O ALA A 59 2.569 -0.058 -6.979 1.00 0.00 O ATOM 935 CB ALA A 59 4.567 -2.685 -6.318 1.00 0.00 C ATOM 0 H ALA A 59 3.343 -4.170 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 59 2.491 -2.312 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.913 -1.881 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.557 -3.622 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.239 -2.777 -7.171 1.00 0.00 H new ATOM 941 N ILE A 60 3.635 -0.954 -8.774 1.00 0.00 N ATOM 942 CA ILE A 60 3.710 0.294 -9.579 1.00 0.00 C ATOM 943 C ILE A 60 2.306 0.891 -9.798 1.00 0.00 C ATOM 944 O ILE A 60 2.111 2.105 -9.688 1.00 0.00 O ATOM 945 CB ILE A 60 4.396 0.058 -10.989 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.774 -0.663 -10.845 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.560 1.387 -11.772 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.741 0.003 -9.894 1.00 0.00 C ATOM 0 H ILE A 60 4.020 -1.769 -9.251 1.00 0.00 H new ATOM 0 HA ILE A 60 4.324 0.992 -9.010 1.00 0.00 H new ATOM 0 HB ILE A 60 3.732 -0.592 -11.559 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.600 -1.685 -10.508 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.239 -0.727 -11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.033 1.187 -12.733 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.580 1.836 -11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.182 2.074 -11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.669 -0.568 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.951 1.016 -10.239 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.302 0.043 -8.897 1.00 0.00 H new ATOM 960 N ASP A 61 1.346 0.002 -10.088 1.00 0.00 N ATOM 961 CA ASP A 61 -0.067 0.361 -10.325 1.00 0.00 C ATOM 962 C ASP A 61 -0.731 0.878 -9.021 1.00 0.00 C ATOM 963 O ASP A 61 -1.536 1.827 -9.045 1.00 0.00 O ATOM 964 CB ASP A 61 -0.817 -0.877 -10.883 1.00 0.00 C ATOM 965 CG ASP A 61 -2.285 -0.597 -11.258 1.00 0.00 C ATOM 966 OD1 ASP A 61 -3.180 -0.735 -10.392 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.551 -0.234 -12.421 1.00 0.00 O ATOM 0 H ASP A 61 1.526 -0.999 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.119 1.168 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.290 -1.243 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.787 -1.674 -10.140 1.00 0.00 H new ATOM 972 N THR A 62 -0.377 0.233 -7.894 1.00 0.00 N ATOM 973 CA THR A 62 -0.868 0.593 -6.550 1.00 0.00 C ATOM 974 C THR A 62 -0.379 1.999 -6.147 1.00 0.00 C ATOM 975 O THR A 62 -1.173 2.837 -5.706 1.00 0.00 O ATOM 976 CB THR A 62 -0.423 -0.480 -5.491 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.970 -1.760 -5.849 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.872 -0.140 -4.063 1.00 0.00 C ATOM 0 H THR A 62 0.264 -0.560 -7.890 1.00 0.00 H new ATOM 0 HA THR A 62 -1.957 0.610 -6.578 1.00 0.00 H new ATOM 0 HB THR A 62 0.667 -0.495 -5.500 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.470 -2.129 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.534 -0.919 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.442 0.816 -3.764 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.960 -0.075 -4.029 1.00 0.00 H new ATOM 986 N TYR A 63 0.929 2.253 -6.336 1.00 0.00 N ATOM 987 CA TYR A 63 1.542 3.559 -6.046 1.00 0.00 C ATOM 988 C TYR A 63 0.929 4.636 -6.940 1.00 0.00 C ATOM 989 O TYR A 63 0.647 5.710 -6.460 1.00 0.00 O ATOM 990 CB TYR A 63 3.073 3.536 -6.251 1.00 0.00 C ATOM 991 CG TYR A 63 3.834 2.519 -5.387 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.588 2.392 -4.019 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.810 1.689 -5.945 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.280 1.475 -3.257 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.495 0.778 -5.187 1.00 0.00 C ATOM 996 CZ TYR A 63 5.228 0.675 -3.849 1.00 0.00 C ATOM 997 OH TYR A 63 5.907 -0.236 -3.099 1.00 0.00 O ATOM 0 H TYR A 63 1.587 1.560 -6.693 1.00 0.00 H new ATOM 0 HA TYR A 63 1.344 3.785 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.280 3.324 -7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.466 4.531 -6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.845 3.021 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.029 1.768 -7.000 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.078 1.386 -2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.242 0.144 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 63 6.626 -0.631 -3.636 1.00 0.00 H new ATOM 1007 N ALA A 64 0.726 4.309 -8.237 1.00 0.00 N ATOM 1008 CA ALA A 64 0.127 5.222 -9.242 1.00 0.00 C ATOM 1009 C ALA A 64 -1.233 5.780 -8.781 1.00 0.00 C ATOM 1010 O ALA A 64 -1.498 6.986 -8.896 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.035 4.484 -10.580 1.00 0.00 C ATOM 0 H ALA A 64 0.975 3.397 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 64 0.802 6.069 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.475 5.157 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.941 4.150 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.686 3.621 -10.443 1.00 0.00 H new ATOM 1017 N GLN A 65 -2.072 4.883 -8.235 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.415 5.232 -7.740 1.00 0.00 C ATOM 1019 C GLN A 65 -3.283 6.000 -6.404 1.00 0.00 C ATOM 1020 O GLN A 65 -4.044 6.931 -6.116 1.00 0.00 O ATOM 1021 CB GLN A 65 -4.280 3.932 -7.599 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.779 4.106 -7.945 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.594 4.878 -6.905 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.209 4.295 -6.021 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.596 6.199 -6.995 1.00 0.00 N ATOM 0 H GLN A 65 -1.839 3.896 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.925 5.885 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.860 3.162 -8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.198 3.568 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.859 4.620 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.224 3.119 -8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.075 6.660 -7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.118 6.755 -6.318 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.275 5.586 -5.623 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.922 6.223 -4.367 1.00 0.00 C ATOM 1036 C GLY A 66 -1.493 7.677 -4.517 1.00 0.00 C ATOM 1037 O GLY A 66 -1.863 8.492 -3.705 1.00 0.00 O ATOM 0 H GLY A 66 -1.682 4.790 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.776 6.173 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.113 5.661 -3.900 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.710 7.981 -5.564 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.148 9.331 -5.836 1.00 0.00 C ATOM 1043 C ILE A 67 -1.264 10.386 -5.958 1.00 0.00 C ATOM 1044 O ILE A 67 -1.156 11.499 -5.412 1.00 0.00 O ATOM 1045 CB ILE A 67 0.715 9.284 -7.161 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.012 8.442 -6.943 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.065 10.688 -7.717 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.781 8.131 -8.210 1.00 0.00 C ATOM 0 H ILE A 67 -0.440 7.289 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 67 0.487 9.619 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 67 0.093 8.801 -7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.668 8.980 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.743 7.504 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.658 10.582 -8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.146 11.229 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.638 11.242 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.666 7.544 -7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.146 7.563 -8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.085 9.062 -8.689 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.341 9.978 -6.643 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.516 10.817 -6.914 1.00 0.00 C ATOM 1062 C GLU A 68 -4.177 11.260 -5.595 1.00 0.00 C ATOM 1063 O GLU A 68 -4.547 12.420 -5.427 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.522 10.018 -7.788 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.899 9.414 -9.066 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.896 8.604 -9.914 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.253 7.475 -9.516 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.315 9.083 -10.986 1.00 0.00 O ATOM 0 H GLU A 68 -2.421 9.038 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.205 11.713 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.950 9.214 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.344 10.676 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.487 10.219 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.066 8.769 -8.785 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.316 10.306 -4.670 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.906 10.560 -3.347 1.00 0.00 C ATOM 1077 C VAL A 69 -3.864 11.078 -2.329 1.00 0.00 C ATOM 1078 O VAL A 69 -4.238 11.656 -1.328 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.676 9.310 -2.791 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.782 8.875 -3.785 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.734 8.130 -2.453 1.00 0.00 C ATOM 0 H VAL A 69 -4.025 9.339 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.639 11.354 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.142 9.609 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.308 8.007 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.487 9.694 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.330 8.617 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.321 7.294 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.201 7.821 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.016 8.443 -1.695 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.562 10.851 -2.584 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.476 11.183 -1.625 1.00 0.00 C ATOM 1093 C ALA A 70 -1.281 12.693 -1.499 1.00 0.00 C ATOM 1094 O ALA A 70 -1.117 13.221 -0.400 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.162 10.523 -2.053 1.00 0.00 C ATOM 0 H ALA A 70 -2.228 10.435 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.771 10.796 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.622 10.777 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.291 9.441 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.119 10.881 -3.043 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.295 13.354 -2.660 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.188 14.818 -2.773 1.00 0.00 C ATOM 1103 C ARG A 71 -2.380 15.531 -2.071 1.00 0.00 C ATOM 1104 O ARG A 71 -2.201 16.566 -1.428 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.133 15.200 -4.282 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.343 14.689 -5.083 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.364 15.081 -6.565 1.00 0.00 C ATOM 1108 NE ARG A 71 -3.670 14.747 -7.178 1.00 0.00 N ATOM 1109 CZ ARG A 71 -4.092 15.138 -8.386 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -3.326 15.870 -9.181 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -5.302 14.792 -8.793 1.00 0.00 N ATOM 0 H ARG A 71 -1.382 12.885 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.277 15.148 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.077 16.285 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.220 14.796 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.371 13.602 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.253 15.063 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.172 16.149 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.565 14.562 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.305 14.167 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.393 16.147 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.669 16.156 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.903 14.233 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.634 15.085 -9.712 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.594 14.946 -2.201 1.00 0.00 N ATOM 1126 CA GLU A 72 -4.857 15.578 -1.752 1.00 0.00 C ATOM 1127 C GLU A 72 -5.208 15.235 -0.286 1.00 0.00 C ATOM 1128 O GLU A 72 -5.483 16.131 0.520 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.003 15.177 -2.720 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.769 15.659 -4.170 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.890 15.288 -5.150 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.970 15.907 -5.076 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -6.703 14.376 -5.993 1.00 0.00 O ATOM 0 H GLU A 72 -3.725 14.025 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.722 16.659 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.110 14.092 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.942 15.591 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.651 16.743 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.831 15.238 -4.533 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.204 13.937 0.031 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.568 13.409 1.363 1.00 0.00 C ATOM 1142 C GLU A 73 -4.415 13.569 2.365 1.00 0.00 C ATOM 1143 O GLU A 73 -4.616 14.096 3.467 1.00 0.00 O ATOM 1144 CB GLU A 73 -5.986 11.920 1.251 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.251 11.678 0.407 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.513 12.327 1.007 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.115 11.740 1.932 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.905 13.429 0.568 1.00 0.00 O ATOM 0 H GLU A 73 -4.946 13.208 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.413 13.988 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.161 11.355 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.151 11.525 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.091 12.070 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.414 10.605 0.308 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.211 13.107 1.979 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.033 13.165 2.854 1.00 0.00 C ATOM 1157 C GLY A 74 -1.156 14.364 2.548 1.00 0.00 C ATOM 1158 O GLY A 74 -1.582 15.289 1.842 1.00 0.00 O ATOM 0 H GLY A 74 -3.032 12.690 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.356 13.208 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.450 12.251 2.739 1.00 0.00 H new ATOM 1162 N THR A 75 0.072 14.359 3.080 1.00 0.00 N ATOM 1163 CA THR A 75 1.044 15.441 2.838 1.00 0.00 C ATOM 1164 C THR A 75 1.822 15.181 1.533 1.00 0.00 C ATOM 1165 O THR A 75 1.717 14.101 0.937 1.00 0.00 O ATOM 1166 CB THR A 75 2.044 15.582 4.031 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.778 14.363 4.211 1.00 0.00 O ATOM 1168 CG2 THR A 75 1.325 15.948 5.345 1.00 0.00 C ATOM 0 H THR A 75 0.421 13.615 3.684 1.00 0.00 H new ATOM 0 HA THR A 75 0.487 16.373 2.745 1.00 0.00 H new ATOM 0 HB THR A 75 2.729 16.393 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.169 13.600 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.057 16.036 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.805 16.898 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.605 15.169 5.595 1.00 0.00 H new ATOM 1176 N GLN A 76 2.617 16.180 1.107 1.00 0.00 N ATOM 1177 CA GLN A 76 3.499 16.062 -0.069 1.00 0.00 C ATOM 1178 C GLN A 76 4.613 15.026 0.194 1.00 0.00 C ATOM 1179 O GLN A 76 5.226 14.517 -0.748 1.00 0.00 O ATOM 1180 CB GLN A 76 4.089 17.449 -0.430 1.00 0.00 C ATOM 1181 CG GLN A 76 4.971 17.474 -1.697 1.00 0.00 C ATOM 1182 CD GLN A 76 5.457 18.872 -2.056 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.505 19.316 -1.589 1.00 0.00 O ATOM 1184 NE2 GLN A 76 4.705 19.573 -2.890 1.00 0.00 N ATOM 0 H GLN A 76 2.666 17.089 1.567 1.00 0.00 H new ATOM 0 HA GLN A 76 2.915 15.710 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.267 18.153 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.680 17.806 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.832 16.823 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.406 17.066 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.842 19.173 -3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.989 20.513 -3.165 1.00 0.00 H new ATOM 1193 N LYS A 77 4.857 14.709 1.484 1.00 0.00 N ATOM 1194 CA LYS A 77 5.756 13.625 1.867 1.00 0.00 C ATOM 1195 C LYS A 77 5.172 12.273 1.421 1.00 0.00 C ATOM 1196 O LYS A 77 5.884 11.484 0.822 1.00 0.00 O ATOM 1197 CB LYS A 77 6.049 13.625 3.387 1.00 0.00 C ATOM 1198 CG LYS A 77 6.918 12.430 3.846 1.00 0.00 C ATOM 1199 CD LYS A 77 7.402 12.539 5.304 1.00 0.00 C ATOM 1200 CE LYS A 77 8.203 11.297 5.727 1.00 0.00 C ATOM 1201 NZ LYS A 77 9.344 11.020 4.807 1.00 0.00 N ATOM 0 H LYS A 77 4.436 15.198 2.274 1.00 0.00 H new ATOM 0 HA LYS A 77 6.707 13.785 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.553 14.554 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.105 13.608 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.345 11.510 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.785 12.350 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.022 13.429 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.544 12.662 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.581 11.439 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.541 10.431 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.062 10.456 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.002 10.492 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.764 11.919 4.495 1.00 0.00 H new ATOM 1215 N ASP A 78 3.863 12.035 1.697 1.00 0.00 N ATOM 1216 CA ASP A 78 3.142 10.800 1.263 1.00 0.00 C ATOM 1217 C ASP A 78 3.206 10.652 -0.262 1.00 0.00 C ATOM 1218 O ASP A 78 3.419 9.553 -0.786 1.00 0.00 O ATOM 1219 CB ASP A 78 1.652 10.833 1.706 1.00 0.00 C ATOM 1220 CG ASP A 78 1.466 10.692 3.222 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.368 9.545 3.712 1.00 0.00 O ATOM 1222 OD2 ASP A 78 1.409 11.716 3.929 1.00 0.00 O ATOM 0 H ASP A 78 3.278 12.685 2.222 1.00 0.00 H new ATOM 0 HA ASP A 78 3.633 9.950 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.203 11.771 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.113 10.029 1.205 1.00 0.00 H new ATOM 1227 N LEU A 79 2.984 11.787 -0.944 1.00 0.00 N ATOM 1228 CA LEU A 79 3.131 11.913 -2.399 1.00 0.00 C ATOM 1229 C LEU A 79 4.537 11.470 -2.841 1.00 0.00 C ATOM 1230 O LEU A 79 4.690 10.666 -3.766 1.00 0.00 O ATOM 1231 CB LEU A 79 2.858 13.389 -2.795 1.00 0.00 C ATOM 1232 CG LEU A 79 3.035 13.763 -4.297 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.032 12.995 -5.176 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.920 15.293 -4.503 1.00 0.00 C ATOM 0 H LEU A 79 2.693 12.654 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 79 2.415 11.265 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.837 13.635 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.520 14.025 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 79 4.037 13.466 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.176 13.273 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.193 11.923 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.016 13.244 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.047 15.528 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.939 15.632 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.693 15.797 -3.923 1.00 0.00 H new ATOM 1246 N SER A 80 5.548 11.967 -2.112 1.00 0.00 N ATOM 1247 CA SER A 80 6.961 11.720 -2.400 1.00 0.00 C ATOM 1248 C SER A 80 7.348 10.253 -2.115 1.00 0.00 C ATOM 1249 O SER A 80 8.200 9.710 -2.810 1.00 0.00 O ATOM 1250 CB SER A 80 7.849 12.692 -1.585 1.00 0.00 C ATOM 1251 OG SER A 80 9.214 12.592 -1.954 1.00 0.00 O ATOM 0 H SER A 80 5.400 12.560 -1.295 1.00 0.00 H new ATOM 0 HA SER A 80 7.127 11.900 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.505 13.715 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.743 12.477 -0.522 1.00 0.00 H new ATOM 0 HG SER A 80 9.744 13.221 -1.421 1.00 0.00 H new ATOM 1257 N GLU A 81 6.694 9.620 -1.110 1.00 0.00 N ATOM 1258 CA GLU A 81 6.966 8.218 -0.725 1.00 0.00 C ATOM 1259 C GLU A 81 6.565 7.266 -1.862 1.00 0.00 C ATOM 1260 O GLU A 81 7.327 6.382 -2.241 1.00 0.00 O ATOM 1261 CB GLU A 81 6.194 7.819 0.568 1.00 0.00 C ATOM 1262 CG GLU A 81 6.549 8.618 1.839 1.00 0.00 C ATOM 1263 CD GLU A 81 8.026 8.518 2.262 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.486 7.399 2.581 1.00 0.00 O ATOM 1265 OE2 GLU A 81 8.736 9.551 2.276 1.00 0.00 O ATOM 0 H GLU A 81 5.968 10.066 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 81 8.035 8.136 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.126 7.930 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.375 6.762 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.301 9.667 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.924 8.267 2.660 1.00 0.00 H new ATOM 1272 N LEU A 82 5.356 7.483 -2.396 1.00 0.00 N ATOM 1273 CA LEU A 82 4.747 6.615 -3.424 1.00 0.00 C ATOM 1274 C LEU A 82 5.413 6.789 -4.798 1.00 0.00 C ATOM 1275 O LEU A 82 5.590 5.812 -5.539 1.00 0.00 O ATOM 1276 CB LEU A 82 3.233 6.907 -3.492 1.00 0.00 C ATOM 1277 CG LEU A 82 2.451 6.574 -2.178 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.007 7.063 -2.242 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.495 5.067 -1.877 1.00 0.00 C ATOM 0 H LEU A 82 4.765 8.270 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 82 4.905 5.574 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.089 7.961 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.801 6.334 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 82 2.947 7.104 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.497 6.813 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.995 8.144 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.497 6.582 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.944 4.863 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.041 4.518 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.531 4.750 -1.756 1.00 0.00 H new ATOM 1291 N GLN A 83 5.792 8.039 -5.116 1.00 0.00 N ATOM 1292 CA GLN A 83 6.505 8.370 -6.363 1.00 0.00 C ATOM 1293 C GLN A 83 7.927 7.787 -6.336 1.00 0.00 C ATOM 1294 O GLN A 83 8.366 7.178 -7.313 1.00 0.00 O ATOM 1295 CB GLN A 83 6.532 9.907 -6.588 1.00 0.00 C ATOM 1296 CG GLN A 83 5.153 10.508 -6.927 1.00 0.00 C ATOM 1297 CD GLN A 83 5.125 12.032 -7.075 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.347 12.576 -7.862 1.00 0.00 O ATOM 1299 NE2 GLN A 83 5.936 12.739 -6.307 1.00 0.00 N ATOM 0 H GLN A 83 5.614 8.846 -4.518 1.00 0.00 H new ATOM 0 HA GLN A 83 5.971 7.921 -7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.918 10.390 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.227 10.135 -7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.799 10.062 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.448 10.222 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.571 12.266 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.927 13.758 -6.358 1.00 0.00 H new ATOM 1308 N ASP A 84 8.613 7.942 -5.187 1.00 0.00 N ATOM 1309 CA ASP A 84 9.974 7.402 -4.979 1.00 0.00 C ATOM 1310 C ASP A 84 9.963 5.868 -5.045 1.00 0.00 C ATOM 1311 O ASP A 84 10.855 5.258 -5.647 1.00 0.00 O ATOM 1312 CB ASP A 84 10.544 7.870 -3.613 1.00 0.00 C ATOM 1313 CG ASP A 84 11.985 7.390 -3.337 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.936 8.044 -3.814 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.176 6.364 -2.640 1.00 0.00 O ATOM 0 H ASP A 84 8.243 8.443 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 84 10.614 7.782 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.521 8.959 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.893 7.510 -2.816 1.00 0.00 H new ATOM 1320 N ALA A 85 8.931 5.264 -4.426 1.00 0.00 N ATOM 1321 CA ALA A 85 8.786 3.808 -4.334 1.00 0.00 C ATOM 1322 C ALA A 85 8.594 3.176 -5.706 1.00 0.00 C ATOM 1323 O ALA A 85 9.267 2.193 -6.028 1.00 0.00 O ATOM 1324 CB ALA A 85 7.632 3.435 -3.393 1.00 0.00 C ATOM 0 H ALA A 85 8.174 5.779 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 85 9.711 3.410 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.542 2.350 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.831 3.832 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.702 3.858 -3.773 1.00 0.00 H new ATOM 1330 N LYS A 86 7.687 3.752 -6.515 1.00 0.00 N ATOM 1331 CA LYS A 86 7.399 3.208 -7.843 1.00 0.00 C ATOM 1332 C LYS A 86 8.592 3.363 -8.784 1.00 0.00 C ATOM 1333 O LYS A 86 8.928 2.411 -9.453 1.00 0.00 O ATOM 1334 CB LYS A 86 6.118 3.796 -8.486 1.00 0.00 C ATOM 1335 CG LYS A 86 6.144 5.302 -8.787 1.00 0.00 C ATOM 1336 CD LYS A 86 4.953 5.752 -9.659 1.00 0.00 C ATOM 1337 CE LYS A 86 4.929 5.054 -11.032 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.819 5.529 -11.883 1.00 0.00 N ATOM 0 H LYS A 86 7.149 4.584 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 86 7.211 2.146 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.926 3.263 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.277 3.593 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.133 5.857 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.076 5.552 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.022 5.542 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.001 6.831 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.876 5.229 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.839 3.977 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.844 5.031 -12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.913 5.339 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.918 6.552 -12.044 1.00 0.00 H new ATOM 1352 N LEU A 87 9.264 4.538 -8.803 1.00 0.00 N ATOM 1353 CA LEU A 87 10.343 4.799 -9.784 1.00 0.00 C ATOM 1354 C LEU A 87 11.542 3.863 -9.549 1.00 0.00 C ATOM 1355 O LEU A 87 12.151 3.383 -10.509 1.00 0.00 O ATOM 1356 CB LEU A 87 10.739 6.316 -9.827 1.00 0.00 C ATOM 1357 CG LEU A 87 11.405 6.976 -8.554 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.923 6.705 -8.464 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.139 8.498 -8.503 1.00 0.00 C ATOM 0 H LEU A 87 9.082 5.309 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 87 9.960 4.568 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.424 6.453 -10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.838 6.884 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 87 10.935 6.503 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.325 7.182 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.098 5.630 -8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.418 7.111 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.611 8.920 -7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.554 8.970 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.065 8.678 -8.464 1.00 0.00 H new ATOM 1371 N LYS A 88 11.871 3.595 -8.260 1.00 0.00 N ATOM 1372 CA LYS A 88 12.973 2.679 -7.911 1.00 0.00 C ATOM 1373 C LYS A 88 12.574 1.210 -8.142 1.00 0.00 C ATOM 1374 O LYS A 88 13.432 0.384 -8.446 1.00 0.00 O ATOM 1375 CB LYS A 88 13.495 2.896 -6.467 1.00 0.00 C ATOM 1376 CG LYS A 88 12.528 2.526 -5.315 1.00 0.00 C ATOM 1377 CD LYS A 88 13.270 2.398 -3.966 1.00 0.00 C ATOM 1378 CE LYS A 88 12.333 2.266 -2.759 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.600 3.528 -2.484 1.00 0.00 N ATOM 0 H LYS A 88 11.391 3.999 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 88 13.798 2.917 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.409 2.314 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.768 3.946 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.752 3.287 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.029 1.585 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.926 1.528 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.907 3.272 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.618 1.464 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.912 1.984 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.657 3.306 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.128 4.091 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.502 4.071 -3.365 1.00 0.00 H new ATOM 1393 N ALA A 89 11.273 0.900 -7.975 1.00 0.00 N ATOM 1394 CA ALA A 89 10.711 -0.433 -8.267 1.00 0.00 C ATOM 1395 C ALA A 89 10.631 -0.709 -9.786 1.00 0.00 C ATOM 1396 O ALA A 89 10.726 -1.863 -10.223 1.00 0.00 O ATOM 1397 CB ALA A 89 9.345 -0.574 -7.600 1.00 0.00 C ATOM 0 H ALA A 89 10.582 1.568 -7.633 1.00 0.00 H new ATOM 0 HA ALA A 89 11.383 -1.185 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.934 -1.560 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.453 -0.456 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.672 0.193 -7.983 1.00 0.00 H new