USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 80 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.7) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 SER OG : rot 130:sc= -0.144 USER MOD Set 2.2: A 72 THR OG1 : rot 159:sc= 0.151 USER MOD Set 3.1: A 19 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.43) USER MOD Set 3.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -28:sc= 0.109 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 15 GLN : amide:sc= 0.689 K(o=0.69,f=-0.92) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.0042) USER MOD Single : A 29 TYR OH : rot 30:sc= 0.257 USER MOD Single : A 30 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.2) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.047) USER MOD Single : A 35 SER OG : rot 82:sc= 0.72 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.416 K(o=-0.42,f=-0.98) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -0.0463 (180deg=-0.307) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.0662 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 88:sc= 1.29 USER MOD Single : A 84 ASN : amide:sc= -0.676 K(o=-0.68,f=-1.8) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 11.192 -5.998 -10.961 1.00 0.00 N ATOM 83 CA THR A 6 12.122 -6.428 -9.929 1.00 0.00 C ATOM 84 C THR A 6 12.469 -7.905 -10.101 1.00 0.00 C ATOM 85 O THR A 6 11.953 -8.577 -10.993 1.00 0.00 O ATOM 86 CB THR A 6 11.513 -6.179 -8.547 1.00 0.00 C ATOM 87 OG1 THR A 6 10.292 -6.879 -8.442 1.00 0.00 O ATOM 88 CG2 THR A 6 11.260 -4.691 -8.331 1.00 0.00 C ATOM 0 HA THR A 6 13.042 -5.850 -10.021 1.00 0.00 H new ATOM 0 HB THR A 6 12.213 -6.530 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.898 -6.984 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.827 -4.535 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.202 -4.147 -8.404 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.570 -4.325 -9.091 1.00 0.00 H new ATOM 96 N ASP A 7 13.348 -8.415 -9.240 1.00 0.00 N ATOM 97 CA ASP A 7 13.746 -9.814 -9.263 1.00 0.00 C ATOM 98 C ASP A 7 12.553 -10.743 -9.021 1.00 0.00 C ATOM 99 O ASP A 7 12.650 -11.938 -9.275 1.00 0.00 O ATOM 100 CB ASP A 7 14.822 -10.035 -8.200 1.00 0.00 C ATOM 101 CG ASP A 7 14.358 -9.553 -6.827 1.00 0.00 C ATOM 102 OD1 ASP A 7 14.503 -8.336 -6.574 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.871 -10.402 -6.049 1.00 0.00 O ATOM 0 H ASP A 7 13.802 -7.867 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 7 14.142 -10.053 -10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 7 15.073 -11.094 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.731 -9.505 -8.485 1.00 0.00 H new ATOM 108 N GLN A 8 11.427 -10.217 -8.532 1.00 0.00 N ATOM 109 CA GLN A 8 10.269 -11.051 -8.253 1.00 0.00 C ATOM 110 C GLN A 8 9.603 -11.505 -9.552 1.00 0.00 C ATOM 111 O GLN A 8 9.233 -12.673 -9.680 1.00 0.00 O ATOM 112 CB GLN A 8 9.283 -10.272 -7.371 1.00 0.00 C ATOM 113 CG GLN A 8 8.119 -11.173 -6.959 1.00 0.00 C ATOM 114 CD GLN A 8 7.115 -10.451 -6.065 1.00 0.00 C ATOM 115 OE1 GLN A 8 7.253 -9.266 -5.768 1.00 0.00 O ATOM 116 NE2 GLN A 8 6.084 -11.168 -5.626 1.00 0.00 N ATOM 0 H GLN A 8 11.299 -9.227 -8.325 1.00 0.00 H new ATOM 0 HA GLN A 8 10.590 -11.946 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.794 -9.898 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.907 -9.404 -7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.611 -11.537 -7.852 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.507 -12.046 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.996 -12.149 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.381 -10.736 -5.026 1.00 0.00 H new ATOM 125 N VAL A 9 9.447 -10.600 -10.527 1.00 0.00 N ATOM 126 CA VAL A 9 8.817 -10.961 -11.790 1.00 0.00 C ATOM 127 C VAL A 9 9.838 -11.576 -12.739 1.00 0.00 C ATOM 128 O VAL A 9 9.474 -12.334 -13.637 1.00 0.00 O ATOM 129 CB VAL A 9 8.141 -9.749 -12.440 1.00 0.00 C ATOM 130 CG1 VAL A 9 7.238 -9.027 -11.440 1.00 0.00 C ATOM 131 CG2 VAL A 9 9.168 -8.763 -12.997 1.00 0.00 C ATOM 0 H VAL A 9 9.746 -9.627 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 9 8.045 -11.702 -11.580 1.00 0.00 H new ATOM 0 HB VAL A 9 7.537 -10.126 -13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.770 -8.171 -11.925 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.466 -9.711 -11.087 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.833 -8.684 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.651 -7.917 -13.450 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.807 -8.408 -12.189 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.779 -9.261 -13.750 1.00 0.00 H new ATOM 141 N LEU A 10 11.117 -11.251 -12.542 1.00 0.00 N ATOM 142 CA LEU A 10 12.175 -11.728 -13.413 1.00 0.00 C ATOM 143 C LEU A 10 12.514 -13.185 -13.104 1.00 0.00 C ATOM 144 O LEU A 10 12.943 -13.914 -13.993 1.00 0.00 O ATOM 145 CB LEU A 10 13.381 -10.799 -13.251 1.00 0.00 C ATOM 146 CG LEU A 10 14.458 -11.016 -14.317 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.901 -10.747 -15.715 1.00 0.00 C ATOM 148 CD2 LEU A 10 15.600 -10.034 -14.064 1.00 0.00 C ATOM 0 H LEU A 10 11.439 -10.655 -11.780 1.00 0.00 H new ATOM 0 HA LEU A 10 11.853 -11.707 -14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.042 -9.764 -13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.819 -10.952 -12.265 1.00 0.00 H new ATOM 0 HG LEU A 10 14.802 -12.049 -14.261 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.684 -10.908 -16.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.070 -11.425 -15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.551 -9.717 -15.775 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.376 -10.177 -14.816 1.00 0.00 H new ATOM 0 HD22 LEU A 10 15.222 -9.013 -14.122 1.00 0.00 H new ATOM 0 HD23 LEU A 10 16.019 -10.210 -13.073 1.00 0.00 H new ATOM 160 N VAL A 11 12.321 -13.616 -11.854 1.00 0.00 N ATOM 161 CA VAL A 11 12.536 -15.013 -11.494 1.00 0.00 C ATOM 162 C VAL A 11 11.364 -15.862 -11.974 1.00 0.00 C ATOM 163 O VAL A 11 11.563 -16.996 -12.408 1.00 0.00 O ATOM 164 CB VAL A 11 12.729 -15.126 -9.978 1.00 0.00 C ATOM 165 CG1 VAL A 11 12.642 -16.580 -9.502 1.00 0.00 C ATOM 166 CG2 VAL A 11 14.106 -14.590 -9.598 1.00 0.00 C ATOM 0 H VAL A 11 12.019 -13.020 -11.083 1.00 0.00 H new ATOM 0 HA VAL A 11 13.437 -15.386 -11.982 1.00 0.00 H new ATOM 0 HB VAL A 11 11.935 -14.548 -9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.784 -16.618 -8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.663 -16.987 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.417 -17.170 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.243 -14.671 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.876 -15.171 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.185 -13.545 -9.897 1.00 0.00 H new ATOM 176 N GLU A 12 10.139 -15.334 -11.916 1.00 0.00 N ATOM 177 CA GLU A 12 8.983 -16.068 -12.418 1.00 0.00 C ATOM 178 C GLU A 12 9.024 -16.137 -13.945 1.00 0.00 C ATOM 179 O GLU A 12 8.476 -17.058 -14.546 1.00 0.00 O ATOM 180 CB GLU A 12 7.698 -15.378 -11.949 1.00 0.00 C ATOM 181 CG GLU A 12 7.541 -15.452 -10.430 1.00 0.00 C ATOM 182 CD GLU A 12 7.371 -16.892 -9.949 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.325 -17.495 -10.277 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.290 -17.384 -9.253 1.00 0.00 O ATOM 0 H GLU A 12 9.927 -14.413 -11.531 1.00 0.00 H new ATOM 0 HA GLU A 12 9.005 -17.086 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.709 -14.334 -12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.838 -15.846 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.415 -15.009 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.677 -14.862 -10.124 1.00 0.00 H new ATOM 191 N ARG A 13 9.682 -15.160 -14.581 1.00 0.00 N ATOM 192 CA ARG A 13 9.816 -15.119 -16.027 1.00 0.00 C ATOM 193 C ARG A 13 10.854 -16.130 -16.507 1.00 0.00 C ATOM 194 O ARG A 13 10.757 -16.619 -17.630 1.00 0.00 O ATOM 195 CB ARG A 13 10.162 -13.686 -16.437 1.00 0.00 C ATOM 196 CG ARG A 13 10.346 -13.577 -17.949 1.00 0.00 C ATOM 197 CD ARG A 13 10.555 -12.117 -18.351 1.00 0.00 C ATOM 198 NE ARG A 13 10.860 -12.011 -19.780 1.00 0.00 N ATOM 199 CZ ARG A 13 10.880 -10.870 -20.477 1.00 0.00 C ATOM 200 NH1 ARG A 13 10.609 -9.708 -19.893 1.00 0.00 N ATOM 201 NH2 ARG A 13 11.177 -10.900 -21.773 1.00 0.00 N ATOM 0 H ARG A 13 10.133 -14.381 -14.101 1.00 0.00 H new ATOM 0 HA ARG A 13 8.877 -15.403 -16.503 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.370 -13.011 -16.114 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.075 -13.370 -15.933 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.202 -14.174 -18.263 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.472 -13.981 -18.459 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.659 -11.540 -18.122 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.369 -11.687 -17.768 1.00 0.00 H new ATOM 0 HE ARG A 13 11.073 -12.873 -20.281 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.382 -9.677 -18.899 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.628 -8.846 -20.438 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.387 -11.789 -22.228 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.195 -10.034 -22.312 1.00 0.00 H new ATOM 215 N VAL A 14 11.845 -16.455 -15.671 1.00 0.00 N ATOM 216 CA VAL A 14 12.827 -17.477 -16.009 1.00 0.00 C ATOM 217 C VAL A 14 12.234 -18.869 -15.796 1.00 0.00 C ATOM 218 O VAL A 14 12.629 -19.812 -16.479 1.00 0.00 O ATOM 219 CB VAL A 14 14.105 -17.265 -15.192 1.00 0.00 C ATOM 220 CG1 VAL A 14 15.092 -18.416 -15.379 1.00 0.00 C ATOM 221 CG2 VAL A 14 14.796 -15.986 -15.659 1.00 0.00 C ATOM 0 H VAL A 14 11.984 -16.023 -14.758 1.00 0.00 H new ATOM 0 HA VAL A 14 13.092 -17.394 -17.063 1.00 0.00 H new ATOM 0 HB VAL A 14 13.817 -17.206 -14.142 1.00 0.00 H new ATOM 0 HG11 VAL A 14 15.986 -18.229 -14.784 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.629 -19.348 -15.056 1.00 0.00 H new ATOM 0 HG13 VAL A 14 15.366 -18.493 -16.431 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.706 -15.832 -15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 14 15.049 -16.074 -16.716 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.127 -15.138 -15.516 1.00 0.00 H new ATOM 231 N GLN A 15 11.288 -19.016 -14.862 1.00 0.00 N ATOM 232 CA GLN A 15 10.586 -20.281 -14.683 1.00 0.00 C ATOM 233 C GLN A 15 9.641 -20.526 -15.861 1.00 0.00 C ATOM 234 O GLN A 15 9.173 -21.647 -16.058 1.00 0.00 O ATOM 235 CB GLN A 15 9.823 -20.287 -13.356 1.00 0.00 C ATOM 236 CG GLN A 15 10.799 -20.359 -12.181 1.00 0.00 C ATOM 237 CD GLN A 15 10.074 -20.506 -10.846 1.00 0.00 C ATOM 238 OE1 GLN A 15 8.852 -20.424 -10.774 1.00 0.00 O ATOM 239 NE2 GLN A 15 10.826 -20.728 -9.771 1.00 0.00 N ATOM 0 H GLN A 15 10.996 -18.276 -14.224 1.00 0.00 H new ATOM 0 HA GLN A 15 11.316 -21.090 -14.653 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.213 -19.387 -13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.142 -21.138 -13.324 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.475 -21.203 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.413 -19.458 -12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.840 -20.791 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.389 -20.835 -8.856 1.00 0.00 H new ATOM 248 N LYS A 16 9.361 -19.479 -16.648 1.00 0.00 N ATOM 249 CA LYS A 16 8.599 -19.599 -17.884 1.00 0.00 C ATOM 250 C LYS A 16 9.482 -20.144 -19.012 1.00 0.00 C ATOM 251 O LYS A 16 9.010 -20.357 -20.127 1.00 0.00 O ATOM 252 CB LYS A 16 7.988 -18.238 -18.226 1.00 0.00 C ATOM 253 CG LYS A 16 6.819 -18.406 -19.197 1.00 0.00 C ATOM 254 CD LYS A 16 6.098 -17.078 -19.424 1.00 0.00 C ATOM 255 CE LYS A 16 7.021 -16.058 -20.086 1.00 0.00 C ATOM 256 NZ LYS A 16 6.309 -14.795 -20.357 1.00 0.00 N ATOM 0 H LYS A 16 9.660 -18.526 -16.440 1.00 0.00 H new ATOM 0 HA LYS A 16 7.787 -20.314 -17.755 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.645 -17.747 -17.315 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.747 -17.593 -18.669 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.185 -18.792 -20.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.118 -19.142 -18.803 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.221 -17.239 -20.050 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.742 -16.686 -18.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.877 -15.865 -19.440 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.411 -16.467 -21.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.959 -14.120 -20.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.506 -14.978 -20.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.959 -14.395 -19.463 1.00 0.00 H new ATOM 270 N GLY A 17 10.769 -20.373 -18.726 1.00 0.00 N ATOM 271 CA GLY A 17 11.715 -20.926 -19.683 1.00 0.00 C ATOM 272 C GLY A 17 12.443 -19.846 -20.481 1.00 0.00 C ATOM 273 O GLY A 17 13.129 -20.161 -21.451 1.00 0.00 O ATOM 0 H GLY A 17 11.180 -20.175 -17.814 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.447 -21.537 -19.154 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.186 -21.586 -20.371 1.00 0.00 H new ATOM 277 N ASP A 18 12.303 -18.576 -20.092 1.00 0.00 N ATOM 278 CA ASP A 18 12.933 -17.481 -20.815 1.00 0.00 C ATOM 279 C ASP A 18 14.402 -17.340 -20.402 1.00 0.00 C ATOM 280 O ASP A 18 14.699 -16.974 -19.269 1.00 0.00 O ATOM 281 CB ASP A 18 12.149 -16.198 -20.537 1.00 0.00 C ATOM 282 CG ASP A 18 12.568 -15.048 -21.448 1.00 0.00 C ATOM 283 OD1 ASP A 18 13.599 -15.193 -22.137 1.00 0.00 O ATOM 284 OD2 ASP A 18 11.846 -14.025 -21.446 1.00 0.00 O ATOM 0 H ASP A 18 11.758 -18.286 -19.280 1.00 0.00 H new ATOM 0 HA ASP A 18 12.918 -17.683 -21.886 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.084 -16.391 -20.668 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.295 -15.905 -19.497 1.00 0.00 H new ATOM 289 N GLN A 19 15.322 -17.630 -21.327 1.00 0.00 N ATOM 290 CA GLN A 19 16.750 -17.505 -21.075 1.00 0.00 C ATOM 291 C GLN A 19 17.201 -16.053 -21.205 1.00 0.00 C ATOM 292 O GLN A 19 18.172 -15.647 -20.571 1.00 0.00 O ATOM 293 CB GLN A 19 17.501 -18.424 -22.041 1.00 0.00 C ATOM 294 CG GLN A 19 19.029 -18.255 -21.988 1.00 0.00 C ATOM 295 CD GLN A 19 19.588 -18.274 -20.570 1.00 0.00 C ATOM 296 OE1 GLN A 19 20.338 -17.385 -20.179 1.00 0.00 O ATOM 297 NE2 GLN A 19 19.237 -19.277 -19.774 1.00 0.00 N ATOM 0 H GLN A 19 15.093 -17.956 -22.266 1.00 0.00 H new ATOM 0 HA GLN A 19 16.974 -17.810 -20.053 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.250 -19.460 -21.813 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.157 -18.229 -23.057 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.496 -19.052 -22.566 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.300 -17.314 -22.466 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.612 -20.006 -20.118 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.592 -19.318 -18.819 1.00 0.00 H new ATOM 306 N LYS A 20 16.508 -15.254 -22.021 1.00 0.00 N ATOM 307 CA LYS A 20 16.881 -13.854 -22.180 1.00 0.00 C ATOM 308 C LYS A 20 16.639 -13.121 -20.865 1.00 0.00 C ATOM 309 O LYS A 20 17.361 -12.184 -20.534 1.00 0.00 O ATOM 310 CB LYS A 20 16.075 -13.215 -23.315 1.00 0.00 C ATOM 311 CG LYS A 20 16.245 -13.914 -24.668 1.00 0.00 C ATOM 312 CD LYS A 20 17.519 -13.521 -25.422 1.00 0.00 C ATOM 313 CE LYS A 20 18.799 -13.968 -24.717 1.00 0.00 C ATOM 314 NZ LYS A 20 19.979 -13.750 -25.576 1.00 0.00 N ATOM 0 H LYS A 20 15.701 -15.549 -22.571 1.00 0.00 H new ATOM 0 HA LYS A 20 17.937 -13.784 -22.439 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.019 -13.220 -23.045 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.373 -12.172 -23.416 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.248 -14.992 -24.509 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.381 -13.686 -25.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.491 -13.957 -26.421 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.540 -12.438 -25.547 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.917 -13.416 -23.784 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.725 -15.024 -24.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.835 -14.061 -25.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.874 -14.296 -26.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.060 -12.739 -25.804 1.00 0.00 H new ATOM 328 N ALA A 21 15.623 -13.554 -20.115 1.00 0.00 N ATOM 329 CA ALA A 21 15.306 -12.956 -18.832 1.00 0.00 C ATOM 330 C ALA A 21 16.336 -13.355 -17.780 1.00 0.00 C ATOM 331 O ALA A 21 16.578 -12.600 -16.838 1.00 0.00 O ATOM 332 CB ALA A 21 13.907 -13.406 -18.416 1.00 0.00 C ATOM 0 H ALA A 21 15.007 -14.322 -20.383 1.00 0.00 H new ATOM 0 HA ALA A 21 15.331 -11.870 -18.919 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.654 -12.964 -17.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.183 -13.083 -19.164 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.884 -14.493 -18.334 1.00 0.00 H new ATOM 338 N PHE A 22 16.952 -14.533 -17.921 1.00 0.00 N ATOM 339 CA PHE A 22 17.978 -14.948 -16.979 1.00 0.00 C ATOM 340 C PHE A 22 19.271 -14.186 -17.252 1.00 0.00 C ATOM 341 O PHE A 22 20.006 -13.871 -16.321 1.00 0.00 O ATOM 342 CB PHE A 22 18.207 -16.457 -17.061 1.00 0.00 C ATOM 343 CG PHE A 22 19.114 -16.952 -15.958 1.00 0.00 C ATOM 344 CD1 PHE A 22 18.641 -16.990 -14.638 1.00 0.00 C ATOM 345 CD2 PHE A 22 20.425 -17.362 -16.241 1.00 0.00 C ATOM 346 CE1 PHE A 22 19.478 -17.418 -13.601 1.00 0.00 C ATOM 347 CE2 PHE A 22 21.263 -17.788 -15.201 1.00 0.00 C ATOM 348 CZ PHE A 22 20.794 -17.808 -13.880 1.00 0.00 C ATOM 0 H PHE A 22 16.758 -15.201 -18.667 1.00 0.00 H new ATOM 0 HA PHE A 22 17.643 -14.716 -15.968 1.00 0.00 H new ATOM 0 HB2 PHE A 22 17.249 -16.973 -17.002 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.643 -16.706 -18.028 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.627 -16.688 -14.421 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.788 -17.350 -17.258 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.109 -17.448 -12.586 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.273 -18.102 -15.418 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.446 -18.124 -13.079 1.00 0.00 H new ATOM 358 N ASN A 23 19.559 -13.878 -18.519 1.00 0.00 N ATOM 359 CA ASN A 23 20.720 -13.078 -18.868 1.00 0.00 C ATOM 360 C ASN A 23 20.651 -11.702 -18.202 1.00 0.00 C ATOM 361 O ASN A 23 21.677 -11.182 -17.773 1.00 0.00 O ATOM 362 CB ASN A 23 20.795 -12.957 -20.387 1.00 0.00 C ATOM 363 CG ASN A 23 22.024 -12.177 -20.830 1.00 0.00 C ATOM 364 OD1 ASN A 23 23.062 -12.758 -21.135 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.920 -10.852 -20.868 1.00 0.00 N ATOM 0 H ASN A 23 18.998 -14.175 -19.317 1.00 0.00 H new ATOM 0 HA ASN A 23 21.625 -13.565 -18.504 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.816 -13.952 -20.831 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.897 -12.462 -20.757 1.00 0.00 H new ATOM 0 HD21 ASN A 23 22.718 -10.286 -21.157 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.043 -10.402 -20.608 1.00 0.00 H new ATOM 372 N LEU A 24 19.456 -11.102 -18.101 1.00 0.00 N ATOM 373 CA LEU A 24 19.319 -9.823 -17.413 1.00 0.00 C ATOM 374 C LEU A 24 19.409 -10.021 -15.898 1.00 0.00 C ATOM 375 O LEU A 24 19.755 -9.083 -15.182 1.00 0.00 O ATOM 376 CB LEU A 24 17.988 -9.149 -17.769 1.00 0.00 C ATOM 377 CG LEU A 24 18.003 -8.297 -19.048 1.00 0.00 C ATOM 378 CD1 LEU A 24 19.084 -7.217 -18.990 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.221 -9.143 -20.299 1.00 0.00 C ATOM 0 H LEU A 24 18.588 -11.479 -18.482 1.00 0.00 H new ATOM 0 HA LEU A 24 20.134 -9.177 -17.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.226 -9.921 -17.876 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.686 -8.516 -16.935 1.00 0.00 H new ATOM 0 HG LEU A 24 17.021 -7.827 -19.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.066 -6.634 -19.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.897 -6.560 -18.141 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.061 -7.686 -18.877 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.224 -8.499 -21.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.177 -9.661 -20.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.418 -9.874 -20.388 1.00 0.00 H new ATOM 391 N LEU A 25 19.110 -11.225 -15.401 1.00 0.00 N ATOM 392 CA LEU A 25 19.220 -11.526 -13.983 1.00 0.00 C ATOM 393 C LEU A 25 20.692 -11.709 -13.605 1.00 0.00 C ATOM 394 O LEU A 25 21.081 -11.442 -12.468 1.00 0.00 O ATOM 395 CB LEU A 25 18.382 -12.778 -13.706 1.00 0.00 C ATOM 396 CG LEU A 25 18.274 -13.139 -12.222 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.613 -12.020 -11.414 1.00 0.00 C ATOM 398 CD2 LEU A 25 17.412 -14.392 -12.105 1.00 0.00 C ATOM 0 H LEU A 25 18.788 -12.008 -15.970 1.00 0.00 H new ATOM 0 HA LEU A 25 18.840 -10.709 -13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.380 -12.628 -14.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.817 -13.620 -14.244 1.00 0.00 H new ATOM 0 HG LEU A 25 19.278 -13.297 -11.827 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.554 -12.314 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.204 -11.109 -11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.609 -11.839 -11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.318 -14.672 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.423 -14.193 -12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.878 -15.207 -12.658 1.00 0.00 H new ATOM 410 N VAL A 26 21.520 -12.157 -14.554 1.00 0.00 N ATOM 411 CA VAL A 26 22.957 -12.265 -14.348 1.00 0.00 C ATOM 412 C VAL A 26 23.567 -10.869 -14.328 1.00 0.00 C ATOM 413 O VAL A 26 24.371 -10.566 -13.451 1.00 0.00 O ATOM 414 CB VAL A 26 23.588 -13.119 -15.455 1.00 0.00 C ATOM 415 CG1 VAL A 26 25.113 -13.106 -15.343 1.00 0.00 C ATOM 416 CG2 VAL A 26 23.114 -14.568 -15.360 1.00 0.00 C ATOM 0 H VAL A 26 21.210 -12.452 -15.480 1.00 0.00 H new ATOM 0 HA VAL A 26 23.154 -12.752 -13.393 1.00 0.00 H new ATOM 0 HB VAL A 26 23.281 -12.692 -16.410 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.541 -13.718 -16.137 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.476 -12.083 -15.437 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.410 -13.509 -14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.575 -15.154 -16.155 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.399 -14.981 -14.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.030 -14.604 -15.465 1.00 0.00 H new ATOM 426 N VAL A 27 23.193 -10.011 -15.283 1.00 0.00 N ATOM 427 CA VAL A 27 23.726 -8.656 -15.362 1.00 0.00 C ATOM 428 C VAL A 27 23.315 -7.838 -14.137 1.00 0.00 C ATOM 429 O VAL A 27 23.977 -6.863 -13.794 1.00 0.00 O ATOM 430 CB VAL A 27 23.238 -8.007 -16.661 1.00 0.00 C ATOM 431 CG1 VAL A 27 23.602 -6.524 -16.735 1.00 0.00 C ATOM 432 CG2 VAL A 27 23.885 -8.702 -17.862 1.00 0.00 C ATOM 0 H VAL A 27 22.519 -10.237 -16.014 1.00 0.00 H new ATOM 0 HA VAL A 27 24.815 -8.690 -15.370 1.00 0.00 H new ATOM 0 HB VAL A 27 22.153 -8.109 -16.678 1.00 0.00 H new ATOM 0 HG11 VAL A 27 23.236 -6.106 -17.673 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.145 -5.995 -15.899 1.00 0.00 H new ATOM 0 HG13 VAL A 27 24.685 -6.412 -16.686 1.00 0.00 H new ATOM 0 HG21 VAL A 27 23.535 -8.237 -18.784 1.00 0.00 H new ATOM 0 HG22 VAL A 27 24.969 -8.607 -17.797 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.612 -9.757 -17.862 1.00 0.00 H new ATOM 442 N ARG A 28 22.223 -8.234 -13.478 1.00 0.00 N ATOM 443 CA ARG A 28 21.712 -7.544 -12.304 1.00 0.00 C ATOM 444 C ARG A 28 22.600 -7.776 -11.086 1.00 0.00 C ATOM 445 O ARG A 28 22.811 -6.858 -10.296 1.00 0.00 O ATOM 446 CB ARG A 28 20.303 -8.071 -12.042 1.00 0.00 C ATOM 447 CG ARG A 28 19.649 -7.424 -10.823 1.00 0.00 C ATOM 448 CD ARG A 28 18.277 -8.068 -10.637 1.00 0.00 C ATOM 449 NE ARG A 28 17.567 -7.520 -9.476 1.00 0.00 N ATOM 450 CZ ARG A 28 16.828 -6.407 -9.488 1.00 0.00 C ATOM 451 NH1 ARG A 28 16.710 -5.677 -10.595 1.00 0.00 N ATOM 452 NH2 ARG A 28 16.202 -6.017 -8.382 1.00 0.00 N ATOM 0 H ARG A 28 21.670 -9.047 -13.750 1.00 0.00 H new ATOM 0 HA ARG A 28 21.700 -6.469 -12.484 1.00 0.00 H new ATOM 0 HB2 ARG A 28 19.683 -7.891 -12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 28 20.344 -9.151 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 28 20.264 -7.571 -9.935 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.550 -6.348 -10.968 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.679 -7.913 -11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.395 -9.145 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 28 17.643 -8.026 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.187 -5.965 -11.449 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.142 -4.830 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.287 -6.567 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.637 -5.168 -8.388 1.00 0.00 H new ATOM 466 N TYR A 29 23.114 -8.996 -10.933 1.00 0.00 N ATOM 467 CA TYR A 29 23.883 -9.363 -9.749 1.00 0.00 C ATOM 468 C TYR A 29 25.353 -9.674 -10.023 1.00 0.00 C ATOM 469 O TYR A 29 26.077 -9.972 -9.077 1.00 0.00 O ATOM 470 CB TYR A 29 23.192 -10.553 -9.084 1.00 0.00 C ATOM 471 CG TYR A 29 21.835 -10.205 -8.512 1.00 0.00 C ATOM 472 CD1 TYR A 29 21.742 -9.296 -7.448 1.00 0.00 C ATOM 473 CD2 TYR A 29 20.680 -10.790 -9.047 1.00 0.00 C ATOM 474 CE1 TYR A 29 20.489 -8.968 -6.914 1.00 0.00 C ATOM 475 CE2 TYR A 29 19.423 -10.458 -8.524 1.00 0.00 C ATOM 476 CZ TYR A 29 19.322 -9.549 -7.452 1.00 0.00 C ATOM 477 OH TYR A 29 18.098 -9.226 -6.938 1.00 0.00 O ATOM 0 H TYR A 29 23.010 -9.746 -11.616 1.00 0.00 H new ATOM 0 HA TYR A 29 23.903 -8.496 -9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 29 23.078 -11.354 -9.814 1.00 0.00 H new ATOM 0 HB3 TYR A 29 23.829 -10.937 -8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 29 22.636 -8.849 -7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.758 -11.496 -9.861 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.417 -8.271 -6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.531 -10.899 -8.943 1.00 0.00 H new ATOM 0 HH TYR A 29 18.121 -8.311 -6.589 1.00 0.00 H new ATOM 487 N GLN A 30 25.813 -9.617 -11.275 1.00 0.00 N ATOM 488 CA GLN A 30 27.179 -10.026 -11.599 1.00 0.00 C ATOM 489 C GLN A 30 28.237 -9.228 -10.837 1.00 0.00 C ATOM 490 O GLN A 30 29.302 -9.765 -10.541 1.00 0.00 O ATOM 491 CB GLN A 30 27.423 -9.937 -13.110 1.00 0.00 C ATOM 492 CG GLN A 30 27.226 -8.516 -13.640 1.00 0.00 C ATOM 493 CD GLN A 30 27.469 -8.431 -15.141 1.00 0.00 C ATOM 494 OE1 GLN A 30 27.879 -9.395 -15.779 1.00 0.00 O ATOM 495 NE2 GLN A 30 27.210 -7.259 -15.717 1.00 0.00 N ATOM 0 H GLN A 30 25.265 -9.295 -12.073 1.00 0.00 H new ATOM 0 HA GLN A 30 27.279 -11.063 -11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 30 28.437 -10.270 -13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.743 -10.614 -13.627 1.00 0.00 H new ATOM 0 HG2 GLN A 30 26.213 -8.183 -13.417 1.00 0.00 H new ATOM 0 HG3 GLN A 30 27.906 -7.838 -13.123 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.870 -6.479 -15.155 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.352 -7.141 -16.720 1.00 0.00 H new ATOM 504 N HIS A 31 27.968 -7.958 -10.510 1.00 0.00 N ATOM 505 CA HIS A 31 28.937 -7.142 -9.789 1.00 0.00 C ATOM 506 C HIS A 31 28.801 -7.326 -8.279 1.00 0.00 C ATOM 507 O HIS A 31 29.775 -7.155 -7.546 1.00 0.00 O ATOM 508 CB HIS A 31 28.750 -5.677 -10.176 1.00 0.00 C ATOM 509 CG HIS A 31 28.942 -5.428 -11.649 1.00 0.00 C ATOM 510 ND1 HIS A 31 27.992 -4.857 -12.500 1.00 0.00 N ATOM 511 CD2 HIS A 31 30.067 -5.720 -12.365 1.00 0.00 C ATOM 512 CE1 HIS A 31 28.574 -4.814 -13.710 1.00 0.00 C ATOM 513 NE2 HIS A 31 29.818 -5.324 -13.659 1.00 0.00 N ATOM 0 H HIS A 31 27.094 -7.482 -10.733 1.00 0.00 H new ATOM 0 HA HIS A 31 29.942 -7.462 -10.065 1.00 0.00 H new ATOM 0 HB2 HIS A 31 27.750 -5.355 -9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 31 29.457 -5.066 -9.615 1.00 0.00 H new ATOM 0 HD2 HIS A 31 30.973 -6.172 -11.990 1.00 0.00 H new ATOM 0 HE1 HIS A 31 28.107 -4.423 -14.602 1.00 0.00 H new ATOM 0 HE2 HIS A 31 30.465 -5.403 -14.444 1.00 0.00 H new ATOM 521 N LYS A 32 27.600 -7.675 -7.813 1.00 0.00 N ATOM 522 CA LYS A 32 27.335 -7.839 -6.395 1.00 0.00 C ATOM 523 C LYS A 32 27.824 -9.205 -5.916 1.00 0.00 C ATOM 524 O LYS A 32 28.294 -9.337 -4.786 1.00 0.00 O ATOM 525 CB LYS A 32 25.832 -7.662 -6.173 1.00 0.00 C ATOM 526 CG LYS A 32 25.525 -7.297 -4.722 1.00 0.00 C ATOM 527 CD LYS A 32 24.009 -7.188 -4.554 1.00 0.00 C ATOM 528 CE LYS A 32 23.634 -6.881 -3.102 1.00 0.00 C ATOM 529 NZ LYS A 32 24.093 -5.545 -2.677 1.00 0.00 N ATOM 0 H LYS A 32 26.792 -7.850 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 32 27.874 -7.092 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.454 -6.882 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.312 -8.583 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.926 -8.055 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.003 -6.353 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.624 -6.404 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 32 23.538 -8.121 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.552 -6.945 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.069 -7.637 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.744 -5.347 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.133 -5.518 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.726 -4.827 -3.334 1.00 0.00 H new ATOM 543 N VAL A 33 27.717 -10.220 -6.778 1.00 0.00 N ATOM 544 CA VAL A 33 28.164 -11.560 -6.443 1.00 0.00 C ATOM 545 C VAL A 33 29.679 -11.673 -6.595 1.00 0.00 C ATOM 546 O VAL A 33 30.313 -12.460 -5.897 1.00 0.00 O ATOM 547 CB VAL A 33 27.426 -12.581 -7.314 1.00 0.00 C ATOM 548 CG1 VAL A 33 27.959 -12.587 -8.741 1.00 0.00 C ATOM 549 CG2 VAL A 33 27.576 -13.982 -6.729 1.00 0.00 C ATOM 0 H VAL A 33 27.322 -10.131 -7.714 1.00 0.00 H new ATOM 0 HA VAL A 33 27.929 -11.772 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 33 26.375 -12.292 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 33 27.412 -13.323 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 33 27.828 -11.599 -9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.018 -12.843 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 33 27.047 -14.698 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 33 28.632 -14.248 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.156 -14.003 -5.723 1.00 0.00 H new ATOM 559 N ALA A 34 30.272 -10.886 -7.500 1.00 0.00 N ATOM 560 CA ALA A 34 31.716 -10.875 -7.662 1.00 0.00 C ATOM 561 C ALA A 34 32.383 -10.238 -6.442 1.00 0.00 C ATOM 562 O ALA A 34 33.540 -10.530 -6.149 1.00 0.00 O ATOM 563 CB ALA A 34 32.065 -10.112 -8.940 1.00 0.00 C ATOM 0 H ALA A 34 29.771 -10.254 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 34 32.087 -11.897 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 34 33.147 -10.098 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 31.602 -10.604 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.695 -9.089 -8.866 1.00 0.00 H new ATOM 569 N SER A 35 31.653 -9.373 -5.734 1.00 0.00 N ATOM 570 CA SER A 35 32.136 -8.742 -4.515 1.00 0.00 C ATOM 571 C SER A 35 32.014 -9.705 -3.337 1.00 0.00 C ATOM 572 O SER A 35 32.705 -9.545 -2.333 1.00 0.00 O ATOM 573 CB SER A 35 31.351 -7.461 -4.245 1.00 0.00 C ATOM 574 OG SER A 35 31.531 -6.547 -5.307 1.00 0.00 O ATOM 0 H SER A 35 30.708 -9.093 -5.995 1.00 0.00 H new ATOM 0 HA SER A 35 33.188 -8.486 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.292 -7.692 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 35 31.683 -7.012 -3.309 1.00 0.00 H new ATOM 0 HG SER A 35 30.928 -6.779 -6.044 1.00 0.00 H new ATOM 580 N LEU A 36 31.135 -10.706 -3.453 1.00 0.00 N ATOM 581 CA LEU A 36 30.959 -11.713 -2.419 1.00 0.00 C ATOM 582 C LEU A 36 31.970 -12.852 -2.552 1.00 0.00 C ATOM 583 O LEU A 36 32.560 -13.256 -1.552 1.00 0.00 O ATOM 584 CB LEU A 36 29.528 -12.255 -2.491 1.00 0.00 C ATOM 585 CG LEU A 36 29.305 -13.444 -1.549 1.00 0.00 C ATOM 586 CD1 LEU A 36 29.540 -13.062 -0.088 1.00 0.00 C ATOM 587 CD2 LEU A 36 27.866 -13.920 -1.711 1.00 0.00 C ATOM 0 H LEU A 36 30.531 -10.835 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 36 31.133 -11.247 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 36 28.828 -11.459 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 36 29.309 -12.560 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 36 30.015 -14.229 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 36 29.372 -13.932 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 36 30.566 -12.714 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 28.850 -12.267 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 27.686 -14.767 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 36 27.184 -13.109 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 27.698 -14.225 -2.744 1.00 0.00 H new ATOM 599 N VAL A 37 32.186 -13.379 -3.761 1.00 0.00 N ATOM 600 CA VAL A 37 33.080 -14.523 -3.909 1.00 0.00 C ATOM 601 C VAL A 37 34.545 -14.102 -3.839 1.00 0.00 C ATOM 602 O VAL A 37 35.400 -14.929 -3.533 1.00 0.00 O ATOM 603 CB VAL A 37 32.790 -15.318 -5.186 1.00 0.00 C ATOM 604 CG1 VAL A 37 31.316 -15.710 -5.265 1.00 0.00 C ATOM 605 CG2 VAL A 37 33.179 -14.544 -6.439 1.00 0.00 C ATOM 0 H VAL A 37 31.766 -13.041 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 37 32.886 -15.187 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 37 33.400 -16.220 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 37 31.138 -16.273 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.057 -16.326 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 37 30.700 -14.811 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 37 32.957 -15.144 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 37 32.614 -13.613 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 37 34.245 -14.320 -6.412 1.00 0.00 H new ATOM 615 N SER A 38 34.841 -12.827 -4.115 1.00 0.00 N ATOM 616 CA SER A 38 36.201 -12.318 -4.024 1.00 0.00 C ATOM 617 C SER A 38 36.729 -12.421 -2.592 1.00 0.00 C ATOM 618 O SER A 38 37.930 -12.294 -2.365 1.00 0.00 O ATOM 619 CB SER A 38 36.236 -10.875 -4.519 1.00 0.00 C ATOM 620 OG SER A 38 35.457 -10.057 -3.669 1.00 0.00 O ATOM 0 H SER A 38 34.151 -12.133 -4.403 1.00 0.00 H new ATOM 0 HA SER A 38 36.851 -12.925 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.264 -10.514 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 38 35.855 -10.822 -5.539 1.00 0.00 H new ATOM 0 HG SER A 38 35.484 -9.132 -3.991 1.00 0.00 H new ATOM 626 N ARG A 39 35.831 -12.650 -1.626 1.00 0.00 N ATOM 627 CA ARG A 39 36.188 -12.813 -0.226 1.00 0.00 C ATOM 628 C ARG A 39 36.741 -14.213 0.048 1.00 0.00 C ATOM 629 O ARG A 39 37.259 -14.456 1.136 1.00 0.00 O ATOM 630 CB ARG A 39 34.949 -12.563 0.641 1.00 0.00 C ATOM 631 CG ARG A 39 34.293 -11.217 0.319 1.00 0.00 C ATOM 632 CD ARG A 39 33.039 -11.047 1.176 1.00 0.00 C ATOM 633 NE ARG A 39 32.301 -9.834 0.806 1.00 0.00 N ATOM 634 CZ ARG A 39 31.087 -9.527 1.270 1.00 0.00 C ATOM 635 NH1 ARG A 39 30.464 -10.333 2.128 1.00 0.00 N ATOM 636 NH2 ARG A 39 30.490 -8.406 0.875 1.00 0.00 N ATOM 0 H ARG A 39 34.830 -12.727 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 39 36.968 -12.092 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 39 34.228 -13.365 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 39 35.231 -12.588 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 39 34.992 -10.403 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 39 34.034 -11.170 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 39 32.394 -11.918 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 39 33.319 -10.998 2.228 1.00 0.00 H new ATOM 0 HE ARG A 39 32.742 -9.185 0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.914 -11.195 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 39 29.537 -10.089 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 39 30.959 -7.782 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 39 29.563 -8.170 1.229 1.00 0.00 H new ATOM 650 N TYR A 40 36.637 -15.128 -0.926 1.00 0.00 N ATOM 651 CA TYR A 40 37.084 -16.507 -0.759 1.00 0.00 C ATOM 652 C TYR A 40 38.049 -16.944 -1.866 1.00 0.00 C ATOM 653 O TYR A 40 38.719 -17.964 -1.721 1.00 0.00 O ATOM 654 CB TYR A 40 35.861 -17.425 -0.684 1.00 0.00 C ATOM 655 CG TYR A 40 34.816 -16.953 0.305 1.00 0.00 C ATOM 656 CD1 TYR A 40 34.974 -17.220 1.672 1.00 0.00 C ATOM 657 CD2 TYR A 40 33.697 -16.233 -0.145 1.00 0.00 C ATOM 658 CE1 TYR A 40 34.019 -16.770 2.591 1.00 0.00 C ATOM 659 CE2 TYR A 40 32.735 -15.779 0.771 1.00 0.00 C ATOM 660 CZ TYR A 40 32.896 -16.043 2.145 1.00 0.00 C ATOM 661 OH TYR A 40 31.971 -15.598 3.043 1.00 0.00 O ATOM 0 H TYR A 40 36.242 -14.929 -1.845 1.00 0.00 H new ATOM 0 HA TYR A 40 37.646 -16.578 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 40 35.409 -17.497 -1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 40 36.185 -18.428 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 40 35.834 -17.774 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 40 33.576 -16.028 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 40 34.142 -16.980 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.873 -15.229 0.423 1.00 0.00 H new ATOM 0 HH TYR A 40 31.262 -15.114 2.570 1.00 0.00 H new ATOM 671 N VAL A 41 38.136 -16.191 -2.966 1.00 0.00 N ATOM 672 CA VAL A 41 39.082 -16.476 -4.046 1.00 0.00 C ATOM 673 C VAL A 41 39.750 -15.192 -4.527 1.00 0.00 C ATOM 674 O VAL A 41 39.165 -14.116 -4.416 1.00 0.00 O ATOM 675 CB VAL A 41 38.400 -17.181 -5.227 1.00 0.00 C ATOM 676 CG1 VAL A 41 38.086 -18.635 -4.894 1.00 0.00 C ATOM 677 CG2 VAL A 41 37.110 -16.488 -5.665 1.00 0.00 C ATOM 0 H VAL A 41 37.554 -15.370 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 41 39.840 -17.147 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 41 39.112 -17.133 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 41 37.604 -19.108 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 39.011 -19.163 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 41 37.419 -18.675 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 41 36.672 -17.030 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 41 36.405 -16.473 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 41 37.332 -15.466 -5.971 1.00 0.00 H new ATOM 687 N PRO A 42 40.973 -15.293 -5.068 1.00 0.00 N ATOM 688 CA PRO A 42 41.698 -14.165 -5.624 1.00 0.00 C ATOM 689 C PRO A 42 41.027 -13.705 -6.915 1.00 0.00 C ATOM 690 O PRO A 42 40.270 -14.458 -7.531 1.00 0.00 O ATOM 691 CB PRO A 42 43.113 -14.677 -5.872 1.00 0.00 C ATOM 692 CG PRO A 42 42.891 -16.162 -6.152 1.00 0.00 C ATOM 693 CD PRO A 42 41.751 -16.512 -5.195 1.00 0.00 C ATOM 0 HA PRO A 42 41.710 -13.302 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 42 43.584 -14.172 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 42 43.757 -14.520 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 42 42.618 -16.343 -7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 42 43.786 -16.751 -5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 42 41.144 -17.328 -5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 42 42.134 -16.837 -4.228 1.00 0.00 H new ATOM 701 N SER A 43 41.303 -12.468 -7.334 1.00 0.00 N ATOM 702 CA SER A 43 40.665 -11.847 -8.486 1.00 0.00 C ATOM 703 C SER A 43 40.887 -12.630 -9.781 1.00 0.00 C ATOM 704 O SER A 43 40.189 -12.395 -10.767 1.00 0.00 O ATOM 705 CB SER A 43 41.211 -10.435 -8.634 1.00 0.00 C ATOM 706 OG SER A 43 40.995 -9.705 -7.444 1.00 0.00 O ATOM 0 H SER A 43 41.985 -11.866 -6.874 1.00 0.00 H new ATOM 0 HA SER A 43 39.589 -11.835 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.277 -10.470 -8.860 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.724 -9.934 -9.471 1.00 0.00 H new ATOM 0 HG SER A 43 41.351 -8.798 -7.548 1.00 0.00 H new ATOM 712 N GLY A 44 41.848 -13.559 -9.791 1.00 0.00 N ATOM 713 CA GLY A 44 42.121 -14.381 -10.957 1.00 0.00 C ATOM 714 C GLY A 44 41.133 -15.535 -11.102 1.00 0.00 C ATOM 715 O GLY A 44 41.060 -16.136 -12.172 1.00 0.00 O ATOM 0 H GLY A 44 42.451 -13.756 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.084 -13.760 -11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.133 -14.780 -10.888 1.00 0.00 H new ATOM 719 N ASP A 45 40.375 -15.847 -10.047 1.00 0.00 N ATOM 720 CA ASP A 45 39.407 -16.937 -10.067 1.00 0.00 C ATOM 721 C ASP A 45 37.978 -16.444 -9.827 1.00 0.00 C ATOM 722 O ASP A 45 37.037 -17.230 -9.902 1.00 0.00 O ATOM 723 CB ASP A 45 39.813 -17.993 -9.041 1.00 0.00 C ATOM 724 CG ASP A 45 41.172 -18.607 -9.374 1.00 0.00 C ATOM 725 OD1 ASP A 45 41.318 -19.115 -10.508 1.00 0.00 O ATOM 726 OD2 ASP A 45 42.056 -18.557 -8.492 1.00 0.00 O ATOM 0 H ASP A 45 40.418 -15.349 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 45 39.412 -17.384 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 45 39.850 -17.542 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.057 -18.778 -9.007 1.00 0.00 H new ATOM 731 N VAL A 46 37.796 -15.149 -9.539 1.00 0.00 N ATOM 732 CA VAL A 46 36.470 -14.587 -9.313 1.00 0.00 C ATOM 733 C VAL A 46 35.537 -14.802 -10.505 1.00 0.00 C ATOM 734 O VAL A 46 34.424 -15.280 -10.294 1.00 0.00 O ATOM 735 CB VAL A 46 36.581 -13.095 -8.968 1.00 0.00 C ATOM 736 CG1 VAL A 46 35.213 -12.413 -8.946 1.00 0.00 C ATOM 737 CG2 VAL A 46 37.193 -12.939 -7.577 1.00 0.00 C ATOM 0 H VAL A 46 38.556 -14.474 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 46 36.028 -15.117 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 46 37.201 -12.631 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 46 35.336 -11.359 -8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 46 34.746 -12.503 -9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 46 34.580 -12.890 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 46 37.272 -11.880 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 46 36.559 -13.436 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 46 38.185 -13.390 -7.563 1.00 0.00 H new ATOM 747 N PRO A 47 35.923 -14.480 -11.751 1.00 0.00 N ATOM 748 CA PRO A 47 35.006 -14.569 -12.878 1.00 0.00 C ATOM 749 C PRO A 47 34.619 -16.015 -13.188 1.00 0.00 C ATOM 750 O PRO A 47 33.584 -16.247 -13.805 1.00 0.00 O ATOM 751 CB PRO A 47 35.750 -13.927 -14.051 1.00 0.00 C ATOM 752 CG PRO A 47 37.217 -14.154 -13.699 1.00 0.00 C ATOM 753 CD PRO A 47 37.222 -13.996 -12.183 1.00 0.00 C ATOM 0 HA PRO A 47 34.065 -14.062 -12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 47 35.486 -14.395 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 47 35.517 -12.866 -14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 47 37.559 -15.143 -14.005 1.00 0.00 H new ATOM 0 HG3 PRO A 47 37.868 -13.427 -14.185 1.00 0.00 H new ATOM 0 HD2 PRO A 47 38.029 -14.571 -11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 47 37.371 -12.955 -11.895 1.00 0.00 H new ATOM 761 N ASP A 48 35.433 -16.989 -12.770 1.00 0.00 N ATOM 762 CA ASP A 48 35.122 -18.394 -12.996 1.00 0.00 C ATOM 763 C ASP A 48 34.198 -18.925 -11.902 1.00 0.00 C ATOM 764 O ASP A 48 33.378 -19.804 -12.156 1.00 0.00 O ATOM 765 CB ASP A 48 36.420 -19.200 -13.037 1.00 0.00 C ATOM 766 CG ASP A 48 37.290 -18.781 -14.220 1.00 0.00 C ATOM 767 OD1 ASP A 48 36.995 -19.239 -15.346 1.00 0.00 O ATOM 768 OD2 ASP A 48 38.246 -18.006 -13.991 1.00 0.00 O ATOM 0 H ASP A 48 36.310 -16.826 -12.275 1.00 0.00 H new ATOM 0 HA ASP A 48 34.605 -18.495 -13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.971 -19.056 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.190 -20.263 -13.109 1.00 0.00 H new ATOM 773 N VAL A 49 34.324 -18.395 -10.681 1.00 0.00 N ATOM 774 CA VAL A 49 33.487 -18.807 -9.562 1.00 0.00 C ATOM 775 C VAL A 49 32.133 -18.106 -9.625 1.00 0.00 C ATOM 776 O VAL A 49 31.131 -18.655 -9.171 1.00 0.00 O ATOM 777 CB VAL A 49 34.232 -18.516 -8.255 1.00 0.00 C ATOM 778 CG1 VAL A 49 33.341 -18.740 -7.034 1.00 0.00 C ATOM 779 CG2 VAL A 49 35.433 -19.452 -8.129 1.00 0.00 C ATOM 0 H VAL A 49 35.006 -17.673 -10.447 1.00 0.00 H new ATOM 0 HA VAL A 49 33.288 -19.877 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 49 34.544 -17.472 -8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 49 33.905 -18.523 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 49 32.475 -18.080 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 49 33.006 -19.777 -7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 49 35.961 -19.243 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 49 35.089 -20.486 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 49 36.106 -19.295 -8.972 1.00 0.00 H new ATOM 789 N VAL A 50 32.089 -16.896 -10.188 1.00 0.00 N ATOM 790 CA VAL A 50 30.834 -16.180 -10.364 1.00 0.00 C ATOM 791 C VAL A 50 30.013 -16.834 -11.469 1.00 0.00 C ATOM 792 O VAL A 50 28.790 -16.921 -11.362 1.00 0.00 O ATOM 793 CB VAL A 50 31.126 -14.720 -10.724 1.00 0.00 C ATOM 794 CG1 VAL A 50 29.856 -14.033 -11.225 1.00 0.00 C ATOM 795 CG2 VAL A 50 31.653 -13.959 -9.509 1.00 0.00 C ATOM 0 H VAL A 50 32.910 -16.396 -10.528 1.00 0.00 H new ATOM 0 HA VAL A 50 30.265 -16.216 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 50 31.882 -14.714 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 50 30.078 -12.996 -11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.487 -14.551 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 50 29.095 -14.062 -10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 50 31.854 -12.924 -9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 50 30.908 -13.983 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 32.573 -14.426 -9.158 1.00 0.00 H new ATOM 805 N GLN A 51 30.672 -17.296 -12.536 1.00 0.00 N ATOM 806 CA GLN A 51 29.960 -17.882 -13.657 1.00 0.00 C ATOM 807 C GLN A 51 29.430 -19.264 -13.284 1.00 0.00 C ATOM 808 O GLN A 51 28.430 -19.717 -13.837 1.00 0.00 O ATOM 809 CB GLN A 51 30.892 -17.929 -14.866 1.00 0.00 C ATOM 810 CG GLN A 51 30.110 -18.128 -16.165 1.00 0.00 C ATOM 811 CD GLN A 51 29.126 -16.986 -16.404 1.00 0.00 C ATOM 812 OE1 GLN A 51 27.923 -17.204 -16.502 1.00 0.00 O ATOM 813 NE2 GLN A 51 29.631 -15.758 -16.501 1.00 0.00 N ATOM 0 H GLN A 51 31.686 -17.273 -12.640 1.00 0.00 H new ATOM 0 HA GLN A 51 29.095 -17.271 -13.915 1.00 0.00 H new ATOM 0 HB2 GLN A 51 31.465 -17.003 -14.922 1.00 0.00 H new ATOM 0 HB3 GLN A 51 31.609 -18.740 -14.743 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.804 -18.193 -17.003 1.00 0.00 H new ATOM 0 HG3 GLN A 51 29.569 -19.074 -16.125 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.637 -15.612 -16.415 1.00 0.00 H new ATOM 0 HE22 GLN A 51 29.012 -14.963 -16.662 1.00 0.00 H new ATOM 822 N GLU A 52 30.091 -19.944 -12.344 1.00 0.00 N ATOM 823 CA GLU A 52 29.616 -21.234 -11.866 1.00 0.00 C ATOM 824 C GLU A 52 28.469 -21.042 -10.874 1.00 0.00 C ATOM 825 O GLU A 52 27.647 -21.939 -10.693 1.00 0.00 O ATOM 826 CB GLU A 52 30.795 -21.984 -11.243 1.00 0.00 C ATOM 827 CG GLU A 52 30.397 -23.409 -10.865 1.00 0.00 C ATOM 828 CD GLU A 52 31.613 -24.213 -10.412 1.00 0.00 C ATOM 829 OE1 GLU A 52 31.901 -24.185 -9.197 1.00 0.00 O ATOM 830 OE2 GLU A 52 32.245 -24.847 -11.285 1.00 0.00 O ATOM 0 H GLU A 52 30.952 -19.620 -11.904 1.00 0.00 H new ATOM 0 HA GLU A 52 29.223 -21.826 -12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 52 31.627 -22.009 -11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 52 31.142 -21.452 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 52 29.655 -23.384 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 52 29.930 -23.899 -11.719 1.00 0.00 H new ATOM 837 N ALA A 53 28.403 -19.871 -10.228 1.00 0.00 N ATOM 838 CA ALA A 53 27.365 -19.581 -9.256 1.00 0.00 C ATOM 839 C ALA A 53 26.036 -19.256 -9.942 1.00 0.00 C ATOM 840 O ALA A 53 24.976 -19.532 -9.382 1.00 0.00 O ATOM 841 CB ALA A 53 27.824 -18.422 -8.369 1.00 0.00 C ATOM 0 H ALA A 53 29.067 -19.109 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 53 27.197 -20.464 -8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 53 27.050 -18.197 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 53 28.743 -18.700 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 53 28.006 -17.542 -8.986 1.00 0.00 H new ATOM 847 N PHE A 54 26.075 -18.677 -11.145 1.00 0.00 N ATOM 848 CA PHE A 54 24.856 -18.366 -11.875 1.00 0.00 C ATOM 849 C PHE A 54 24.339 -19.595 -12.623 1.00 0.00 C ATOM 850 O PHE A 54 23.130 -19.773 -12.736 1.00 0.00 O ATOM 851 CB PHE A 54 25.105 -17.217 -12.854 1.00 0.00 C ATOM 852 CG PHE A 54 25.159 -15.851 -12.208 1.00 0.00 C ATOM 853 CD1 PHE A 54 24.046 -15.352 -11.514 1.00 0.00 C ATOM 854 CD2 PHE A 54 26.320 -15.072 -12.304 1.00 0.00 C ATOM 855 CE1 PHE A 54 24.091 -14.081 -10.924 1.00 0.00 C ATOM 856 CE2 PHE A 54 26.362 -13.798 -11.722 1.00 0.00 C ATOM 857 CZ PHE A 54 25.248 -13.303 -11.033 1.00 0.00 C ATOM 0 H PHE A 54 26.936 -18.418 -11.627 1.00 0.00 H new ATOM 0 HA PHE A 54 24.096 -18.060 -11.156 1.00 0.00 H new ATOM 0 HB2 PHE A 54 26.045 -17.397 -13.376 1.00 0.00 H new ATOM 0 HB3 PHE A 54 24.317 -17.219 -13.607 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.150 -15.950 -11.434 1.00 0.00 H new ATOM 0 HD2 PHE A 54 27.184 -15.454 -12.827 1.00 0.00 H new ATOM 0 HE1 PHE A 54 23.234 -13.703 -10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 54 27.255 -13.197 -11.805 1.00 0.00 H new ATOM 0 HZ PHE A 54 25.282 -12.321 -10.586 1.00 0.00 H new ATOM 867 N ILE A 55 25.227 -20.450 -13.134 1.00 0.00 N ATOM 868 CA ILE A 55 24.789 -21.653 -13.832 1.00 0.00 C ATOM 869 C ILE A 55 24.237 -22.670 -12.831 1.00 0.00 C ATOM 870 O ILE A 55 23.372 -23.467 -13.192 1.00 0.00 O ATOM 871 CB ILE A 55 25.946 -22.204 -14.675 1.00 0.00 C ATOM 872 CG1 ILE A 55 25.939 -21.584 -16.081 1.00 0.00 C ATOM 873 CG2 ILE A 55 25.835 -23.720 -14.851 1.00 0.00 C ATOM 874 CD1 ILE A 55 25.898 -20.056 -16.074 1.00 0.00 C ATOM 0 H ILE A 55 26.239 -20.332 -13.078 1.00 0.00 H new ATOM 0 HA ILE A 55 23.974 -21.419 -14.517 1.00 0.00 H new ATOM 0 HB ILE A 55 26.864 -21.952 -14.144 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.828 -21.913 -16.619 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.076 -21.960 -16.631 1.00 0.00 H new ATOM 0 HG21 ILE A 55 26.670 -24.079 -15.453 1.00 0.00 H new ATOM 0 HG22 ILE A 55 25.859 -24.202 -13.874 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.897 -23.960 -15.352 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.895 -19.687 -17.100 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.995 -19.719 -15.565 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.774 -19.671 -15.553 1.00 0.00 H new ATOM 886 N LYS A 56 24.717 -22.653 -11.583 1.00 0.00 N ATOM 887 CA LYS A 56 24.172 -23.529 -10.556 1.00 0.00 C ATOM 888 C LYS A 56 22.821 -22.997 -10.095 1.00 0.00 C ATOM 889 O LYS A 56 21.941 -23.770 -9.724 1.00 0.00 O ATOM 890 CB LYS A 56 25.159 -23.619 -9.389 1.00 0.00 C ATOM 891 CG LYS A 56 24.707 -24.619 -8.320 1.00 0.00 C ATOM 892 CD LYS A 56 24.512 -26.025 -8.894 1.00 0.00 C ATOM 893 CE LYS A 56 24.125 -27.020 -7.798 1.00 0.00 C ATOM 894 NZ LYS A 56 25.173 -27.138 -6.768 1.00 0.00 N ATOM 0 H LYS A 56 25.474 -22.047 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 56 24.024 -24.531 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.139 -23.912 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 56 25.274 -22.634 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 56 25.447 -24.654 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.773 -24.276 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.737 -26.004 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.431 -26.353 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.192 -26.702 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 56 23.942 -27.998 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.009 -27.996 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.105 -27.198 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.145 -26.304 -6.147 1.00 0.00 H new ATOM 908 N ALA A 57 22.650 -21.673 -10.121 1.00 0.00 N ATOM 909 CA ALA A 57 21.385 -21.063 -9.769 1.00 0.00 C ATOM 910 C ALA A 57 20.368 -21.293 -10.880 1.00 0.00 C ATOM 911 O ALA A 57 19.182 -21.432 -10.601 1.00 0.00 O ATOM 912 CB ALA A 57 21.594 -19.569 -9.528 1.00 0.00 C ATOM 0 H ALA A 57 23.379 -21.010 -10.384 1.00 0.00 H new ATOM 0 HA ALA A 57 21.000 -21.518 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 57 20.643 -19.107 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 57 22.306 -19.428 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 57 21.983 -19.105 -10.435 1.00 0.00 H new ATOM 918 N TYR A 58 20.810 -21.342 -12.142 1.00 0.00 N ATOM 919 CA TYR A 58 19.900 -21.520 -13.263 1.00 0.00 C ATOM 920 C TYR A 58 19.193 -22.870 -13.201 1.00 0.00 C ATOM 921 O TYR A 58 18.004 -22.965 -13.496 1.00 0.00 O ATOM 922 CB TYR A 58 20.685 -21.412 -14.569 1.00 0.00 C ATOM 923 CG TYR A 58 19.820 -21.633 -15.788 1.00 0.00 C ATOM 924 CD1 TYR A 58 18.886 -20.659 -16.171 1.00 0.00 C ATOM 925 CD2 TYR A 58 19.948 -22.818 -16.527 1.00 0.00 C ATOM 926 CE1 TYR A 58 18.070 -20.867 -17.294 1.00 0.00 C ATOM 927 CE2 TYR A 58 19.142 -23.030 -17.654 1.00 0.00 C ATOM 928 CZ TYR A 58 18.198 -22.056 -18.041 1.00 0.00 C ATOM 929 OH TYR A 58 17.410 -22.271 -19.133 1.00 0.00 O ATOM 0 H TYR A 58 21.792 -21.260 -12.405 1.00 0.00 H new ATOM 0 HA TYR A 58 19.139 -20.741 -13.214 1.00 0.00 H new ATOM 0 HB2 TYR A 58 21.147 -20.427 -14.630 1.00 0.00 H new ATOM 0 HB3 TYR A 58 21.493 -22.143 -14.564 1.00 0.00 H new ATOM 0 HD1 TYR A 58 18.795 -19.747 -15.600 1.00 0.00 H new ATOM 0 HD2 TYR A 58 20.667 -23.566 -16.228 1.00 0.00 H new ATOM 0 HE1 TYR A 58 17.347 -20.119 -17.585 1.00 0.00 H new ATOM 0 HE2 TYR A 58 19.244 -23.940 -18.227 1.00 0.00 H new ATOM 0 HH TYR A 58 17.631 -23.139 -19.530 1.00 0.00 H new ATOM 939 N ARG A 59 19.929 -23.919 -12.817 1.00 0.00 N ATOM 940 CA ARG A 59 19.388 -25.271 -12.744 1.00 0.00 C ATOM 941 C ARG A 59 18.697 -25.550 -11.410 1.00 0.00 C ATOM 942 O ARG A 59 18.034 -26.578 -11.276 1.00 0.00 O ATOM 943 CB ARG A 59 20.505 -26.281 -13.028 1.00 0.00 C ATOM 944 CG ARG A 59 21.643 -26.154 -12.013 1.00 0.00 C ATOM 945 CD ARG A 59 22.803 -27.061 -12.405 1.00 0.00 C ATOM 946 NE ARG A 59 22.450 -28.478 -12.250 1.00 0.00 N ATOM 947 CZ ARG A 59 23.115 -29.486 -12.819 1.00 0.00 C ATOM 948 NH1 ARG A 59 24.173 -29.255 -13.593 1.00 0.00 N ATOM 949 NH2 ARG A 59 22.723 -30.740 -12.614 1.00 0.00 N ATOM 0 H ARG A 59 20.911 -23.850 -12.550 1.00 0.00 H new ATOM 0 HA ARG A 59 18.615 -25.373 -13.505 1.00 0.00 H new ATOM 0 HB2 ARG A 59 20.100 -27.292 -12.998 1.00 0.00 H new ATOM 0 HB3 ARG A 59 20.893 -26.123 -14.034 1.00 0.00 H new ATOM 0 HG2 ARG A 59 21.982 -25.119 -11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 59 21.284 -26.420 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 59 23.086 -26.866 -13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 59 23.672 -26.831 -11.788 1.00 0.00 H new ATOM 0 HE ARG A 59 21.643 -28.707 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 59 24.485 -28.298 -13.758 1.00 0.00 H new ATOM 0 HH12 ARG A 59 24.672 -30.035 -14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 59 21.915 -30.931 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 59 23.231 -31.511 -13.049 1.00 0.00 H new ATOM 963 N ALA A 60 18.840 -24.654 -10.432 1.00 0.00 N ATOM 964 CA ALA A 60 18.192 -24.810 -9.136 1.00 0.00 C ATOM 965 C ALA A 60 17.072 -23.783 -8.922 1.00 0.00 C ATOM 966 O ALA A 60 16.340 -23.870 -7.937 1.00 0.00 O ATOM 967 CB ALA A 60 19.250 -24.711 -8.041 1.00 0.00 C ATOM 0 H ALA A 60 19.404 -23.808 -10.518 1.00 0.00 H new ATOM 0 HA ALA A 60 17.716 -25.790 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 60 18.776 -24.826 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 60 19.992 -25.498 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 60 19.739 -23.738 -8.094 1.00 0.00 H new ATOM 973 N LEU A 61 16.930 -22.813 -9.830 1.00 0.00 N ATOM 974 CA LEU A 61 15.914 -21.771 -9.717 1.00 0.00 C ATOM 975 C LEU A 61 14.528 -22.331 -10.028 1.00 0.00 C ATOM 976 O LEU A 61 13.520 -21.744 -9.641 1.00 0.00 O ATOM 977 CB LEU A 61 16.336 -20.602 -10.618 1.00 0.00 C ATOM 978 CG LEU A 61 15.346 -19.440 -10.684 1.00 0.00 C ATOM 979 CD1 LEU A 61 16.133 -18.172 -10.994 1.00 0.00 C ATOM 980 CD2 LEU A 61 14.332 -19.624 -11.814 1.00 0.00 C ATOM 0 H LEU A 61 17.516 -22.731 -10.661 1.00 0.00 H new ATOM 0 HA LEU A 61 15.840 -21.396 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.295 -20.221 -10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.494 -20.981 -11.628 1.00 0.00 H new ATOM 0 HG LEU A 61 14.816 -19.388 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.450 -17.324 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.867 -17.998 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.645 -18.286 -11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.645 -18.777 -11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.857 -19.682 -12.768 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.770 -20.544 -11.653 1.00 0.00 H new ATOM 992 N ASP A 62 14.463 -23.470 -10.723 1.00 0.00 N ATOM 993 CA ASP A 62 13.206 -24.157 -10.982 1.00 0.00 C ATOM 994 C ASP A 62 12.687 -24.814 -9.697 1.00 0.00 C ATOM 995 O ASP A 62 11.564 -25.313 -9.663 1.00 0.00 O ATOM 996 CB ASP A 62 13.431 -25.186 -12.093 1.00 0.00 C ATOM 997 CG ASP A 62 12.125 -25.859 -12.523 1.00 0.00 C ATOM 998 OD1 ASP A 62 11.222 -25.121 -12.977 1.00 0.00 O ATOM 999 OD2 ASP A 62 12.042 -27.101 -12.395 1.00 0.00 O ATOM 0 H ASP A 62 15.280 -23.936 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 62 12.447 -23.447 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.887 -24.697 -12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.134 -25.945 -11.748 1.00 0.00 H new ATOM 1004 N SER A 63 13.510 -24.814 -8.642 1.00 0.00 N ATOM 1005 CA SER A 63 13.162 -25.357 -7.337 1.00 0.00 C ATOM 1006 C SER A 63 13.113 -24.255 -6.278 1.00 0.00 C ATOM 1007 O SER A 63 12.945 -24.543 -5.096 1.00 0.00 O ATOM 1008 CB SER A 63 14.162 -26.447 -6.950 1.00 0.00 C ATOM 1009 OG SER A 63 14.165 -27.475 -7.918 1.00 0.00 O ATOM 0 H SER A 63 14.453 -24.428 -8.679 1.00 0.00 H new ATOM 0 HA SER A 63 12.166 -25.797 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.161 -26.019 -6.861 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.903 -26.858 -5.974 1.00 0.00 H new ATOM 0 HG SER A 63 14.810 -28.166 -7.660 1.00 0.00 H new ATOM 1015 N PHE A 64 13.259 -22.990 -6.692 1.00 0.00 N ATOM 1016 CA PHE A 64 13.207 -21.861 -5.777 1.00 0.00 C ATOM 1017 C PHE A 64 11.789 -21.714 -5.234 1.00 0.00 C ATOM 1018 O PHE A 64 10.825 -21.724 -6.001 1.00 0.00 O ATOM 1019 CB PHE A 64 13.662 -20.602 -6.516 1.00 0.00 C ATOM 1020 CG PHE A 64 13.672 -19.350 -5.668 1.00 0.00 C ATOM 1021 CD1 PHE A 64 14.484 -19.284 -4.528 1.00 0.00 C ATOM 1022 CD2 PHE A 64 12.867 -18.258 -6.022 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.500 -18.120 -3.748 1.00 0.00 C ATOM 1024 CE2 PHE A 64 12.887 -17.091 -5.247 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.705 -17.022 -4.111 1.00 0.00 C ATOM 0 H PHE A 64 13.415 -22.730 -7.666 1.00 0.00 H new ATOM 0 HA PHE A 64 13.874 -22.021 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.665 -20.768 -6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.007 -20.441 -7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.097 -20.129 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.231 -18.316 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 64 15.124 -18.068 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.274 -16.247 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.724 -16.122 -3.514 1.00 0.00 H new ATOM 1035 N ARG A 65 11.662 -21.578 -3.909 1.00 0.00 N ATOM 1036 CA ARG A 65 10.360 -21.521 -3.250 1.00 0.00 C ATOM 1037 C ARG A 65 9.931 -20.095 -2.925 1.00 0.00 C ATOM 1038 O ARG A 65 8.749 -19.861 -2.669 1.00 0.00 O ATOM 1039 CB ARG A 65 10.394 -22.376 -1.986 1.00 0.00 C ATOM 1040 CG ARG A 65 10.667 -23.845 -2.315 1.00 0.00 C ATOM 1041 CD ARG A 65 10.606 -24.696 -1.048 1.00 0.00 C ATOM 1042 NE ARG A 65 11.622 -24.281 -0.078 1.00 0.00 N ATOM 1043 CZ ARG A 65 12.834 -24.834 0.033 1.00 0.00 C ATOM 1044 NH1 ARG A 65 13.212 -25.829 -0.761 1.00 0.00 N ATOM 1045 NH2 ARG A 65 13.683 -24.383 0.952 1.00 0.00 N ATOM 0 H ARG A 65 12.455 -21.505 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 65 9.617 -21.916 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.166 -22.003 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.443 -22.290 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.934 -24.204 -3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.648 -23.944 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.616 -24.613 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.752 -25.745 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 65 11.389 -23.517 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.573 -26.185 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.141 -26.237 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.408 -23.618 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.609 -24.802 1.040 1.00 0.00 H new ATOM 1059 N GLY A 66 10.863 -19.141 -2.925 1.00 0.00 N ATOM 1060 CA GLY A 66 10.525 -17.759 -2.629 1.00 0.00 C ATOM 1061 C GLY A 66 10.348 -17.539 -1.127 1.00 0.00 C ATOM 1062 O GLY A 66 9.676 -16.598 -0.713 1.00 0.00 O ATOM 0 H GLY A 66 11.850 -19.304 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.310 -17.102 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.606 -17.488 -3.149 1.00 0.00 H new ATOM 1066 N ASP A 67 10.950 -18.411 -0.310 1.00 0.00 N ATOM 1067 CA ASP A 67 10.887 -18.316 1.143 1.00 0.00 C ATOM 1068 C ASP A 67 11.651 -17.085 1.639 1.00 0.00 C ATOM 1069 O ASP A 67 11.570 -16.736 2.815 1.00 0.00 O ATOM 1070 CB ASP A 67 11.468 -19.600 1.743 1.00 0.00 C ATOM 1071 CG ASP A 67 10.551 -20.807 1.552 1.00 0.00 C ATOM 1072 OD1 ASP A 67 9.316 -20.620 1.620 1.00 0.00 O ATOM 1073 OD2 ASP A 67 11.100 -21.911 1.342 1.00 0.00 O ATOM 0 H ASP A 67 11.496 -19.205 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 67 9.850 -18.204 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.434 -19.806 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.648 -19.450 2.808 1.00 0.00 H new ATOM 1078 N SER A 68 12.391 -16.427 0.741 1.00 0.00 N ATOM 1079 CA SER A 68 13.105 -15.193 1.018 1.00 0.00 C ATOM 1080 C SER A 68 13.329 -14.448 -0.295 1.00 0.00 C ATOM 1081 O SER A 68 13.033 -14.976 -1.367 1.00 0.00 O ATOM 1082 CB SER A 68 14.438 -15.519 1.701 1.00 0.00 C ATOM 1083 OG SER A 68 15.179 -14.343 1.921 1.00 0.00 O ATOM 0 H SER A 68 12.508 -16.752 -0.219 1.00 0.00 H new ATOM 0 HA SER A 68 12.525 -14.558 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.254 -16.023 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.012 -16.207 1.081 1.00 0.00 H new ATOM 0 HG SER A 68 15.478 -14.314 2.854 1.00 0.00 H new ATOM 1089 N ALA A 69 13.850 -13.220 -0.216 1.00 0.00 N ATOM 1090 CA ALA A 69 14.195 -12.440 -1.391 1.00 0.00 C ATOM 1091 C ALA A 69 15.197 -13.217 -2.243 1.00 0.00 C ATOM 1092 O ALA A 69 15.937 -14.062 -1.737 1.00 0.00 O ATOM 1093 CB ALA A 69 14.772 -11.095 -0.956 1.00 0.00 C ATOM 0 H ALA A 69 14.041 -12.746 0.667 1.00 0.00 H new ATOM 0 HA ALA A 69 13.304 -12.255 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.032 -10.508 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.031 -10.555 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.666 -11.260 -0.354 1.00 0.00 H new ATOM 1099 N PHE A 70 15.234 -12.940 -3.550 1.00 0.00 N ATOM 1100 CA PHE A 70 16.037 -13.740 -4.457 1.00 0.00 C ATOM 1101 C PHE A 70 17.529 -13.665 -4.133 1.00 0.00 C ATOM 1102 O PHE A 70 18.236 -14.657 -4.307 1.00 0.00 O ATOM 1103 CB PHE A 70 15.793 -13.288 -5.893 1.00 0.00 C ATOM 1104 CG PHE A 70 16.573 -14.117 -6.886 1.00 0.00 C ATOM 1105 CD1 PHE A 70 16.281 -15.480 -7.038 1.00 0.00 C ATOM 1106 CD2 PHE A 70 17.596 -13.533 -7.643 1.00 0.00 C ATOM 1107 CE1 PHE A 70 17.011 -16.259 -7.940 1.00 0.00 C ATOM 1108 CE2 PHE A 70 18.332 -14.314 -8.546 1.00 0.00 C ATOM 1109 CZ PHE A 70 18.045 -15.677 -8.690 1.00 0.00 C ATOM 0 H PHE A 70 14.722 -12.177 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 70 15.732 -14.779 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.729 -13.357 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.073 -12.240 -5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.490 -15.929 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.818 -12.482 -7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.780 -17.307 -8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.121 -13.864 -9.131 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.619 -16.280 -9.378 1.00 0.00 H new ATOM 1119 N TYR A 71 18.025 -12.518 -3.664 1.00 0.00 N ATOM 1120 CA TYR A 71 19.451 -12.392 -3.415 1.00 0.00 C ATOM 1121 C TYR A 71 19.869 -13.120 -2.141 1.00 0.00 C ATOM 1122 O TYR A 71 21.045 -13.425 -1.971 1.00 0.00 O ATOM 1123 CB TYR A 71 19.876 -10.927 -3.362 1.00 0.00 C ATOM 1124 CG TYR A 71 21.382 -10.780 -3.437 1.00 0.00 C ATOM 1125 CD1 TYR A 71 22.022 -10.960 -4.669 1.00 0.00 C ATOM 1126 CD2 TYR A 71 22.136 -10.479 -2.292 1.00 0.00 C ATOM 1127 CE1 TYR A 71 23.417 -10.859 -4.765 1.00 0.00 C ATOM 1128 CE2 TYR A 71 23.529 -10.350 -2.384 1.00 0.00 C ATOM 1129 CZ TYR A 71 24.175 -10.565 -3.617 1.00 0.00 C ATOM 1130 OH TYR A 71 25.533 -10.489 -3.709 1.00 0.00 O ATOM 0 H TYR A 71 17.472 -11.687 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 71 19.965 -12.866 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 71 19.415 -10.384 -4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 71 19.511 -10.475 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 71 21.438 -11.178 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 71 21.643 -10.347 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 71 23.907 -11.006 -5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 71 24.106 -10.086 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 71 25.909 -10.277 -2.829 1.00 0.00 H new ATOM 1140 N THR A 72 18.929 -13.408 -1.240 1.00 0.00 N ATOM 1141 CA THR A 72 19.264 -14.130 -0.022 1.00 0.00 C ATOM 1142 C THR A 72 19.625 -15.566 -0.377 1.00 0.00 C ATOM 1143 O THR A 72 20.490 -16.173 0.249 1.00 0.00 O ATOM 1144 CB THR A 72 18.069 -14.105 0.933 1.00 0.00 C ATOM 1145 OG1 THR A 72 17.578 -12.789 1.071 1.00 0.00 O ATOM 1146 CG2 THR A 72 18.481 -14.618 2.310 1.00 0.00 C ATOM 0 H THR A 72 17.945 -13.155 -1.332 1.00 0.00 H new ATOM 0 HA THR A 72 20.115 -13.657 0.468 1.00 0.00 H new ATOM 0 HB THR A 72 17.292 -14.746 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.650 -12.817 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.621 -14.595 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.845 -15.642 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.271 -13.985 2.713 1.00 0.00 H new ATOM 1154 N TRP A 73 18.950 -16.104 -1.397 1.00 0.00 N ATOM 1155 CA TRP A 73 19.197 -17.445 -1.893 1.00 0.00 C ATOM 1156 C TRP A 73 20.388 -17.457 -2.853 1.00 0.00 C ATOM 1157 O TRP A 73 21.086 -18.464 -2.961 1.00 0.00 O ATOM 1158 CB TRP A 73 17.917 -17.923 -2.577 1.00 0.00 C ATOM 1159 CG TRP A 73 17.973 -19.279 -3.199 1.00 0.00 C ATOM 1160 CD1 TRP A 73 17.907 -20.455 -2.539 1.00 0.00 C ATOM 1161 CD2 TRP A 73 18.099 -19.623 -4.611 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.957 -21.497 -3.441 1.00 0.00 N ATOM 1163 CE2 TRP A 73 18.074 -21.039 -4.739 1.00 0.00 C ATOM 1164 CE3 TRP A 73 18.235 -18.876 -5.798 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.168 -21.682 -5.978 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 18.338 -19.511 -7.046 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.304 -20.910 -7.138 1.00 0.00 C ATOM 0 H TRP A 73 18.213 -15.610 -1.900 1.00 0.00 H new ATOM 0 HA TRP A 73 19.453 -18.118 -1.075 1.00 0.00 H new ATOM 0 HB2 TRP A 73 17.112 -17.915 -1.842 1.00 0.00 H new ATOM 0 HB3 TRP A 73 17.651 -17.202 -3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 73 17.827 -20.563 -1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.913 -22.483 -3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 73 18.260 -17.798 -5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 18.136 -22.760 -6.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.444 -18.918 -7.942 1.00 0.00 H new ATOM 0 HH2 TRP A 73 18.383 -21.391 -8.102 1.00 0.00 H new ATOM 1178 N LEU A 74 20.630 -16.343 -3.549 1.00 0.00 N ATOM 1179 CA LEU A 74 21.748 -16.230 -4.475 1.00 0.00 C ATOM 1180 C LEU A 74 23.050 -16.085 -3.686 1.00 0.00 C ATOM 1181 O LEU A 74 24.070 -16.668 -4.047 1.00 0.00 O ATOM 1182 CB LEU A 74 21.502 -15.017 -5.381 1.00 0.00 C ATOM 1183 CG LEU A 74 22.099 -15.160 -6.786 1.00 0.00 C ATOM 1184 CD1 LEU A 74 21.833 -13.865 -7.550 1.00 0.00 C ATOM 1185 CD2 LEU A 74 23.600 -15.430 -6.782 1.00 0.00 C ATOM 0 H LEU A 74 20.057 -15.501 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 74 21.833 -17.123 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 20.428 -14.853 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 74 21.923 -14.130 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 74 21.625 -16.021 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 74 22.249 -13.943 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.758 -13.695 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.301 -13.031 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.956 -15.520 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.117 -14.606 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.801 -16.357 -6.245 1.00 0.00 H new ATOM 1197 N TYR A 75 23.016 -15.308 -2.600 1.00 0.00 N ATOM 1198 CA TYR A 75 24.166 -15.103 -1.733 1.00 0.00 C ATOM 1199 C TYR A 75 24.577 -16.432 -1.113 1.00 0.00 C ATOM 1200 O TYR A 75 25.766 -16.701 -0.954 1.00 0.00 O ATOM 1201 CB TYR A 75 23.762 -14.105 -0.646 1.00 0.00 C ATOM 1202 CG TYR A 75 24.866 -13.658 0.287 1.00 0.00 C ATOM 1203 CD1 TYR A 75 25.434 -14.546 1.214 1.00 0.00 C ATOM 1204 CD2 TYR A 75 25.315 -12.331 0.227 1.00 0.00 C ATOM 1205 CE1 TYR A 75 26.452 -14.109 2.074 1.00 0.00 C ATOM 1206 CE2 TYR A 75 26.321 -11.879 1.089 1.00 0.00 C ATOM 1207 CZ TYR A 75 26.897 -12.772 2.020 1.00 0.00 C ATOM 1208 OH TYR A 75 27.876 -12.340 2.863 1.00 0.00 O ATOM 0 H TYR A 75 22.182 -14.803 -2.301 1.00 0.00 H new ATOM 0 HA TYR A 75 25.014 -14.713 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 75 23.342 -13.223 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 75 22.967 -14.551 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.087 -15.567 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 75 24.881 -11.651 -0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 75 26.896 -14.797 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.655 -10.853 1.043 1.00 0.00 H new ATOM 0 HH TYR A 75 28.062 -11.393 2.690 1.00 0.00 H new ATOM 1218 N ARG A 76 23.586 -17.263 -0.766 1.00 0.00 N ATOM 1219 CA ARG A 76 23.800 -18.548 -0.123 1.00 0.00 C ATOM 1220 C ARG A 76 24.468 -19.533 -1.076 1.00 0.00 C ATOM 1221 O ARG A 76 25.307 -20.329 -0.653 1.00 0.00 O ATOM 1222 CB ARG A 76 22.432 -19.060 0.336 1.00 0.00 C ATOM 1223 CG ARG A 76 22.502 -20.348 1.151 1.00 0.00 C ATOM 1224 CD ARG A 76 23.287 -20.151 2.447 1.00 0.00 C ATOM 1225 NE ARG A 76 23.024 -21.256 3.376 1.00 0.00 N ATOM 1226 CZ ARG A 76 23.954 -21.932 4.057 1.00 0.00 C ATOM 1227 NH1 ARG A 76 25.246 -21.638 3.930 1.00 0.00 N ATOM 1228 NH2 ARG A 76 23.588 -22.915 4.875 1.00 0.00 N ATOM 0 H ARG A 76 22.602 -17.050 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 76 24.470 -18.441 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 76 21.947 -18.288 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 76 21.804 -19.228 -0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 76 21.493 -20.687 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 76 22.972 -21.131 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 76 24.354 -20.096 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 76 23.007 -19.204 2.909 1.00 0.00 H new ATOM 0 HE ARG A 76 22.051 -21.531 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 76 25.539 -20.887 3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 76 25.943 -22.164 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 76 22.601 -23.150 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 76 24.294 -23.434 5.397 1.00 0.00 H new ATOM 1242 N ILE A 77 24.106 -19.484 -2.359 1.00 0.00 N ATOM 1243 CA ILE A 77 24.705 -20.354 -3.363 1.00 0.00 C ATOM 1244 C ILE A 77 26.084 -19.833 -3.741 1.00 0.00 C ATOM 1245 O ILE A 77 26.994 -20.622 -3.971 1.00 0.00 O ATOM 1246 CB ILE A 77 23.794 -20.424 -4.593 1.00 0.00 C ATOM 1247 CG1 ILE A 77 22.528 -21.210 -4.231 1.00 0.00 C ATOM 1248 CG2 ILE A 77 24.521 -21.099 -5.763 1.00 0.00 C ATOM 1249 CD1 ILE A 77 21.558 -21.315 -5.409 1.00 0.00 C ATOM 0 H ILE A 77 23.398 -18.847 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 77 24.817 -21.359 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 77 23.523 -19.414 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.806 -22.211 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 77 22.028 -20.725 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 77 23.859 -21.140 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.413 -20.526 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.808 -22.111 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.677 -21.880 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 77 21.258 -20.315 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.047 -21.825 -6.239 1.00 0.00 H new ATOM 1261 N ALA A 78 26.252 -18.510 -3.804 1.00 0.00 N ATOM 1262 CA ALA A 78 27.498 -17.920 -4.255 1.00 0.00 C ATOM 1263 C ALA A 78 28.634 -18.168 -3.262 1.00 0.00 C ATOM 1264 O ALA A 78 29.763 -18.415 -3.681 1.00 0.00 O ATOM 1265 CB ALA A 78 27.277 -16.429 -4.474 1.00 0.00 C ATOM 0 H ALA A 78 25.535 -17.832 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 78 27.798 -18.390 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 78 28.205 -15.970 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 78 26.503 -16.283 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 78 26.964 -15.966 -3.538 1.00 0.00 H new ATOM 1271 N VAL A 79 28.357 -18.106 -1.957 1.00 0.00 N ATOM 1272 CA VAL A 79 29.393 -18.381 -0.969 1.00 0.00 C ATOM 1273 C VAL A 79 29.696 -19.872 -0.938 1.00 0.00 C ATOM 1274 O VAL A 79 30.847 -20.261 -0.760 1.00 0.00 O ATOM 1275 CB VAL A 79 28.986 -17.861 0.412 1.00 0.00 C ATOM 1276 CG1 VAL A 79 27.702 -18.501 0.933 1.00 0.00 C ATOM 1277 CG2 VAL A 79 30.097 -18.166 1.413 1.00 0.00 C ATOM 0 H VAL A 79 27.443 -17.873 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 79 30.303 -17.853 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 79 28.816 -16.790 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 79 27.465 -18.093 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 79 26.884 -18.289 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 79 27.839 -19.579 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 79 29.811 -17.797 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 79 30.257 -19.243 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 79 31.017 -17.676 1.095 1.00 0.00 H new ATOM 1287 N ASN A 80 28.675 -20.715 -1.110 1.00 0.00 N ATOM 1288 CA ASN A 80 28.881 -22.152 -1.093 1.00 0.00 C ATOM 1289 C ASN A 80 29.500 -22.629 -2.408 1.00 0.00 C ATOM 1290 O ASN A 80 30.053 -23.723 -2.452 1.00 0.00 O ATOM 1291 CB ASN A 80 27.549 -22.835 -0.784 1.00 0.00 C ATOM 1292 CG ASN A 80 27.172 -22.691 0.687 1.00 0.00 C ATOM 1293 OD1 ASN A 80 27.947 -22.188 1.498 1.00 0.00 O ATOM 1294 ND2 ASN A 80 25.973 -23.140 1.048 1.00 0.00 N ATOM 0 H ASN A 80 27.709 -20.424 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 80 29.592 -22.422 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 80 26.765 -22.402 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 80 27.613 -23.892 -1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 80 25.675 -23.072 2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 80 25.352 -23.552 0.352 1.00 0.00 H new ATOM 1301 N THR A 81 29.426 -21.832 -3.480 1.00 0.00 N ATOM 1302 CA THR A 81 30.087 -22.171 -4.733 1.00 0.00 C ATOM 1303 C THR A 81 31.568 -21.821 -4.638 1.00 0.00 C ATOM 1304 O THR A 81 32.414 -22.558 -5.140 1.00 0.00 O ATOM 1305 CB THR A 81 29.427 -21.420 -5.893 1.00 0.00 C ATOM 1306 OG1 THR A 81 28.099 -21.860 -6.052 1.00 0.00 O ATOM 1307 CG2 THR A 81 30.174 -21.670 -7.202 1.00 0.00 C ATOM 0 H THR A 81 28.914 -20.950 -3.499 1.00 0.00 H new ATOM 0 HA THR A 81 29.990 -23.241 -4.918 1.00 0.00 H new ATOM 0 HB THR A 81 29.453 -20.356 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 81 27.508 -21.329 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 81 29.685 -21.125 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 81 31.204 -21.327 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 81 30.167 -22.736 -7.427 1.00 0.00 H new ATOM 1315 N ALA A 82 31.893 -20.697 -3.992 1.00 0.00 N ATOM 1316 CA ALA A 82 33.274 -20.286 -3.826 1.00 0.00 C ATOM 1317 C ALA A 82 33.974 -21.151 -2.776 1.00 0.00 C ATOM 1318 O ALA A 82 35.175 -21.394 -2.878 1.00 0.00 O ATOM 1319 CB ALA A 82 33.299 -18.808 -3.444 1.00 0.00 C ATOM 0 H ALA A 82 31.212 -20.061 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 82 33.818 -20.422 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 82 34.331 -18.483 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 82 32.829 -18.220 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 82 32.754 -18.664 -2.511 1.00 0.00 H new ATOM 1325 N LYS A 83 33.240 -21.631 -1.765 1.00 0.00 N ATOM 1326 CA LYS A 83 33.819 -22.519 -0.766 1.00 0.00 C ATOM 1327 C LYS A 83 33.981 -23.931 -1.326 1.00 0.00 C ATOM 1328 O LYS A 83 34.904 -24.641 -0.933 1.00 0.00 O ATOM 1329 CB LYS A 83 32.930 -22.545 0.476 1.00 0.00 C ATOM 1330 CG LYS A 83 33.097 -21.273 1.310 1.00 0.00 C ATOM 1331 CD LYS A 83 32.384 -21.436 2.655 1.00 0.00 C ATOM 1332 CE LYS A 83 30.919 -21.827 2.455 1.00 0.00 C ATOM 1333 NZ LYS A 83 30.204 -21.892 3.742 1.00 0.00 N ATOM 0 H LYS A 83 32.253 -21.418 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 83 34.806 -22.144 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 83 31.887 -22.651 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 83 33.177 -23.415 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 83 34.156 -21.070 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 83 32.687 -20.418 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 83 32.890 -22.198 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 83 32.442 -20.504 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 83 30.432 -21.102 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 83 30.863 -22.794 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 29.213 -22.159 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 30.656 -22.601 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 30.238 -20.962 4.206 1.00 0.00 H new ATOM 1347 N ASN A 84 33.103 -24.347 -2.245 1.00 0.00 N ATOM 1348 CA ASN A 84 33.231 -25.653 -2.881 1.00 0.00 C ATOM 1349 C ASN A 84 34.412 -25.652 -3.849 1.00 0.00 C ATOM 1350 O ASN A 84 34.951 -26.708 -4.167 1.00 0.00 O ATOM 1351 CB ASN A 84 31.938 -26.022 -3.613 1.00 0.00 C ATOM 1352 CG ASN A 84 30.829 -26.462 -2.665 1.00 0.00 C ATOM 1353 OD1 ASN A 84 31.016 -26.528 -1.453 1.00 0.00 O ATOM 1354 ND2 ASN A 84 29.660 -26.771 -3.215 1.00 0.00 N ATOM 0 H ASN A 84 32.303 -23.799 -2.560 1.00 0.00 H new ATOM 0 HA ASN A 84 33.412 -26.401 -2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 84 31.596 -25.164 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 84 32.143 -26.824 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 84 28.884 -27.074 -2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 84 29.539 -26.705 -4.226 1.00 0.00 H new ATOM 1361 N TYR A 85 34.822 -24.471 -4.318 1.00 0.00 N ATOM 1362 CA TYR A 85 35.967 -24.341 -5.201 1.00 0.00 C ATOM 1363 C TYR A 85 37.278 -24.486 -4.421 1.00 0.00 C ATOM 1364 O TYR A 85 38.290 -24.887 -4.987 1.00 0.00 O ATOM 1365 CB TYR A 85 35.885 -22.983 -5.905 1.00 0.00 C ATOM 1366 CG TYR A 85 37.104 -22.670 -6.743 1.00 0.00 C ATOM 1367 CD1 TYR A 85 37.241 -23.225 -8.025 1.00 0.00 C ATOM 1368 CD2 TYR A 85 38.096 -21.825 -6.231 1.00 0.00 C ATOM 1369 CE1 TYR A 85 38.381 -22.943 -8.790 1.00 0.00 C ATOM 1370 CE2 TYR A 85 39.236 -21.532 -6.992 1.00 0.00 C ATOM 1371 CZ TYR A 85 39.385 -22.097 -8.277 1.00 0.00 C ATOM 1372 OH TYR A 85 40.496 -21.826 -9.015 1.00 0.00 O ATOM 0 H TYR A 85 34.367 -23.586 -4.093 1.00 0.00 H new ATOM 0 HA TYR A 85 35.952 -25.137 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 85 35.000 -22.964 -6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 85 35.756 -22.201 -5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 85 36.469 -23.868 -8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 85 37.982 -21.397 -5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 85 38.490 -23.375 -9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 85 39.998 -20.876 -6.597 1.00 0.00 H new ATOM 0 HH TYR A 85 41.085 -21.225 -8.512 1.00 0.00 H new ATOM 1382 N LEU A 86 37.280 -24.166 -3.124 1.00 0.00 N ATOM 1383 CA LEU A 86 38.491 -24.284 -2.323 1.00 0.00 C ATOM 1384 C LEU A 86 38.735 -25.715 -1.855 1.00 0.00 C ATOM 1385 O LEU A 86 39.867 -26.063 -1.525 1.00 0.00 O ATOM 1386 CB LEU A 86 38.417 -23.339 -1.124 1.00 0.00 C ATOM 1387 CG LEU A 86 38.340 -21.869 -1.542 1.00 0.00 C ATOM 1388 CD1 LEU A 86 38.313 -21.009 -0.283 1.00 0.00 C ATOM 1389 CD2 LEU A 86 39.531 -21.466 -2.406 1.00 0.00 C ATOM 0 H LEU A 86 36.464 -23.827 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 86 39.333 -24.005 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 86 37.543 -23.589 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 86 39.293 -23.489 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 86 37.436 -21.722 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 86 38.258 -19.957 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 86 37.442 -21.271 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 86 39.219 -21.184 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 86 39.441 -20.416 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 86 40.454 -21.616 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 86 39.550 -22.078 -3.307 1.00 0.00 H new ATOM 1401 N VAL A 87 37.693 -26.553 -1.824 1.00 0.00 N ATOM 1402 CA VAL A 87 37.853 -27.949 -1.428 1.00 0.00 C ATOM 1403 C VAL A 87 38.007 -28.853 -2.644 1.00 0.00 C ATOM 1404 O VAL A 87 38.444 -29.993 -2.503 1.00 0.00 O ATOM 1405 CB VAL A 87 36.684 -28.406 -0.551 1.00 0.00 C ATOM 1406 CG1 VAL A 87 36.611 -27.568 0.727 1.00 0.00 C ATOM 1407 CG2 VAL A 87 35.354 -28.298 -1.294 1.00 0.00 C ATOM 0 H VAL A 87 36.738 -26.288 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 87 38.767 -28.025 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 87 36.861 -29.451 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 87 35.774 -27.907 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 87 37.538 -27.679 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 87 36.468 -26.519 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 87 34.545 -28.630 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 87 35.183 -27.262 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 87 35.383 -28.925 -2.185 1.00 0.00 H new