USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=20 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 68 SER OG : rot 130:sc= 0.0381 USER MOD Set 1.2: A 72 THR OG1 : rot 160:sc= 0.236 USER MOD Single : A 6 THR OG1 : rot -34:sc= 0.0961 USER MOD Single : A 8 GLN : amide:sc= 0.231 X(o=0.23,f=-0.1) USER MOD Single : A 15 GLN : amide:sc= 0.701 K(o=0.7,f=-0.83) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.132) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.261 F(o=-2.2!,f=-0.26) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.3) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.14) USER MOD Single : A 35 SER OG : rot 84:sc= 0.591 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= -0.309 X(o=-0.31,f=-0.55) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0379 (180deg=-0.344) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.3) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0517) USER MOD Single : A 84 ASN : amide:sc=-0.00711 K(o=-0.0071,f=-1.2) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.872 -6.124 -10.735 1.00 0.00 N ATOM 83 CA THR A 6 11.525 -6.645 -9.541 1.00 0.00 C ATOM 84 C THR A 6 11.982 -8.083 -9.761 1.00 0.00 C ATOM 85 O THR A 6 11.668 -8.701 -10.780 1.00 0.00 O ATOM 86 CB THR A 6 10.565 -6.571 -8.350 1.00 0.00 C ATOM 87 OG1 THR A 6 9.401 -7.321 -8.632 1.00 0.00 O ATOM 88 CG2 THR A 6 10.174 -5.123 -8.060 1.00 0.00 C ATOM 0 HA THR A 6 12.404 -6.036 -9.330 1.00 0.00 H new ATOM 0 HB THR A 6 11.068 -6.981 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.197 -7.262 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.492 -5.094 -7.210 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.068 -4.544 -7.828 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.683 -4.697 -8.935 1.00 0.00 H new ATOM 96 N ASP A 7 12.731 -8.630 -8.806 1.00 0.00 N ATOM 97 CA ASP A 7 13.219 -9.996 -8.895 1.00 0.00 C ATOM 98 C ASP A 7 12.068 -11.003 -8.850 1.00 0.00 C ATOM 99 O ASP A 7 12.254 -12.159 -9.217 1.00 0.00 O ATOM 100 CB ASP A 7 14.192 -10.252 -7.744 1.00 0.00 C ATOM 101 CG ASP A 7 13.532 -10.021 -6.387 1.00 0.00 C ATOM 102 OD1 ASP A 7 13.408 -8.838 -5.999 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.160 -11.030 -5.749 1.00 0.00 O ATOM 0 H ASP A 7 13.013 -8.140 -7.957 1.00 0.00 H new ATOM 0 HA ASP A 7 13.730 -10.125 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.561 -11.276 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.056 -9.596 -7.845 1.00 0.00 H new ATOM 108 N GLN A 8 10.880 -10.586 -8.407 1.00 0.00 N ATOM 109 CA GLN A 8 9.763 -11.507 -8.287 1.00 0.00 C ATOM 110 C GLN A 8 9.218 -11.888 -9.661 1.00 0.00 C ATOM 111 O GLN A 8 8.922 -13.056 -9.903 1.00 0.00 O ATOM 112 CB GLN A 8 8.675 -10.853 -7.429 1.00 0.00 C ATOM 113 CG GLN A 8 7.471 -11.775 -7.214 1.00 0.00 C ATOM 114 CD GLN A 8 7.860 -13.061 -6.494 1.00 0.00 C ATOM 115 OE1 GLN A 8 7.817 -13.135 -5.270 1.00 0.00 O ATOM 116 NE2 GLN A 8 8.241 -14.086 -7.249 1.00 0.00 N ATOM 0 H GLN A 8 10.674 -9.626 -8.130 1.00 0.00 H new ATOM 0 HA GLN A 8 10.101 -12.426 -7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.095 -10.577 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.343 -9.932 -7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.711 -11.250 -6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.025 -12.020 -8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.265 -13.990 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.509 -14.968 -6.813 1.00 0.00 H new ATOM 125 N VAL A 9 9.084 -10.908 -10.561 1.00 0.00 N ATOM 126 CA VAL A 9 8.554 -11.152 -11.896 1.00 0.00 C ATOM 127 C VAL A 9 9.659 -11.658 -12.821 1.00 0.00 C ATOM 128 O VAL A 9 9.383 -12.329 -13.813 1.00 0.00 O ATOM 129 CB VAL A 9 7.906 -9.872 -12.432 1.00 0.00 C ATOM 130 CG1 VAL A 9 8.942 -8.766 -12.622 1.00 0.00 C ATOM 131 CG2 VAL A 9 7.201 -10.135 -13.759 1.00 0.00 C ATOM 0 H VAL A 9 9.338 -9.936 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 9 7.788 -11.927 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 9 7.173 -9.546 -11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.452 -7.870 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.415 -8.542 -11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.700 -9.096 -13.333 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.748 -9.211 -14.120 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.925 -10.495 -14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.425 -10.887 -13.616 1.00 0.00 H new ATOM 141 N LEU A 10 10.917 -11.337 -12.502 1.00 0.00 N ATOM 142 CA LEU A 10 12.038 -11.720 -13.338 1.00 0.00 C ATOM 143 C LEU A 10 12.425 -13.176 -13.079 1.00 0.00 C ATOM 144 O LEU A 10 12.905 -13.853 -13.985 1.00 0.00 O ATOM 145 CB LEU A 10 13.183 -10.739 -13.067 1.00 0.00 C ATOM 146 CG LEU A 10 14.333 -10.849 -14.068 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.851 -10.643 -15.503 1.00 0.00 C ATOM 148 CD2 LEU A 10 15.350 -9.757 -13.755 1.00 0.00 C ATOM 0 H LEU A 10 11.175 -10.811 -11.667 1.00 0.00 H new ATOM 0 HA LEU A 10 11.778 -11.665 -14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.791 -9.722 -13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.569 -10.913 -12.062 1.00 0.00 H new ATOM 0 HG LEU A 10 14.766 -11.846 -13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.696 -10.728 -16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.107 -11.401 -15.749 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.406 -9.653 -15.599 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.179 -9.819 -14.460 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.873 -8.780 -13.841 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.725 -9.889 -12.740 1.00 0.00 H new ATOM 160 N VAL A 11 12.218 -13.669 -11.854 1.00 0.00 N ATOM 161 CA VAL A 11 12.519 -15.058 -11.526 1.00 0.00 C ATOM 162 C VAL A 11 11.459 -15.993 -12.102 1.00 0.00 C ATOM 163 O VAL A 11 11.801 -17.068 -12.587 1.00 0.00 O ATOM 164 CB VAL A 11 12.641 -15.216 -10.004 1.00 0.00 C ATOM 165 CG1 VAL A 11 12.626 -16.686 -9.583 1.00 0.00 C ATOM 166 CG2 VAL A 11 13.963 -14.612 -9.540 1.00 0.00 C ATOM 0 H VAL A 11 11.844 -13.124 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 11 13.472 -15.333 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 11 11.789 -14.709 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.714 -16.755 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.690 -17.146 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.463 -17.206 -10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.054 -14.722 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.790 -15.128 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.991 -13.554 -9.801 1.00 0.00 H new ATOM 176 N GLU A 12 10.178 -15.612 -12.070 1.00 0.00 N ATOM 177 CA GLU A 12 9.142 -16.482 -12.616 1.00 0.00 C ATOM 178 C GLU A 12 9.199 -16.493 -14.144 1.00 0.00 C ATOM 179 O GLU A 12 8.747 -17.446 -14.774 1.00 0.00 O ATOM 180 CB GLU A 12 7.762 -16.074 -12.094 1.00 0.00 C ATOM 181 CG GLU A 12 7.361 -14.685 -12.584 1.00 0.00 C ATOM 182 CD GLU A 12 5.978 -14.301 -12.065 1.00 0.00 C ATOM 183 OE1 GLU A 12 5.901 -13.799 -10.921 1.00 0.00 O ATOM 184 OE2 GLU A 12 5.000 -14.512 -12.817 1.00 0.00 O ATOM 0 H GLU A 12 9.843 -14.730 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 12 9.326 -17.502 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.020 -16.803 -12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.766 -16.088 -11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.095 -13.952 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.363 -14.665 -13.674 1.00 0.00 H new ATOM 191 N ARG A 13 9.754 -15.438 -14.752 1.00 0.00 N ATOM 192 CA ARG A 13 9.910 -15.385 -16.195 1.00 0.00 C ATOM 193 C ARG A 13 11.023 -16.329 -16.643 1.00 0.00 C ATOM 194 O ARG A 13 10.974 -16.855 -17.753 1.00 0.00 O ATOM 195 CB ARG A 13 10.174 -13.938 -16.610 1.00 0.00 C ATOM 196 CG ARG A 13 10.317 -13.841 -18.126 1.00 0.00 C ATOM 197 CD ARG A 13 10.463 -12.383 -18.551 1.00 0.00 C ATOM 198 NE ARG A 13 10.752 -12.293 -19.988 1.00 0.00 N ATOM 199 CZ ARG A 13 10.675 -11.178 -20.716 1.00 0.00 C ATOM 200 NH1 ARG A 13 10.309 -10.021 -20.172 1.00 0.00 N ATOM 201 NH2 ARG A 13 10.973 -11.230 -22.012 1.00 0.00 N ATOM 0 H ARG A 13 10.100 -14.614 -14.260 1.00 0.00 H new ATOM 0 HA ARG A 13 8.997 -15.720 -16.687 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.356 -13.301 -16.273 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.081 -13.574 -16.128 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.186 -14.411 -18.453 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.446 -14.282 -18.609 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.547 -11.838 -18.323 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.264 -11.911 -17.983 1.00 0.00 H new ATOM 0 HE ARG A 13 11.033 -13.149 -20.466 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.080 -9.974 -19.179 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.257 -9.181 -20.748 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.255 -12.114 -22.435 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.919 -10.386 -22.582 1.00 0.00 H new ATOM 215 N VAL A 14 12.027 -16.558 -15.792 1.00 0.00 N ATOM 216 CA VAL A 14 13.074 -17.525 -16.090 1.00 0.00 C ATOM 217 C VAL A 14 12.554 -18.948 -15.878 1.00 0.00 C ATOM 218 O VAL A 14 13.056 -19.882 -16.501 1.00 0.00 O ATOM 219 CB VAL A 14 14.309 -17.232 -15.232 1.00 0.00 C ATOM 220 CG1 VAL A 14 15.398 -18.282 -15.461 1.00 0.00 C ATOM 221 CG2 VAL A 14 14.884 -15.871 -15.620 1.00 0.00 C ATOM 0 H VAL A 14 12.132 -16.085 -14.894 1.00 0.00 H new ATOM 0 HA VAL A 14 13.367 -17.438 -17.136 1.00 0.00 H new ATOM 0 HB VAL A 14 14.003 -17.247 -14.186 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.263 -18.050 -14.840 1.00 0.00 H new ATOM 0 HG12 VAL A 14 15.015 -19.267 -15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 14 15.693 -18.277 -16.510 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.763 -15.660 -15.011 1.00 0.00 H new ATOM 0 HG22 VAL A 14 15.166 -15.882 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.134 -15.098 -15.454 1.00 0.00 H new ATOM 231 N GLN A 15 11.549 -19.132 -15.011 1.00 0.00 N ATOM 232 CA GLN A 15 10.928 -20.439 -14.833 1.00 0.00 C ATOM 233 C GLN A 15 10.093 -20.802 -16.061 1.00 0.00 C ATOM 234 O GLN A 15 9.737 -21.967 -16.238 1.00 0.00 O ATOM 235 CB GLN A 15 10.075 -20.450 -13.561 1.00 0.00 C ATOM 236 CG GLN A 15 10.978 -20.402 -12.328 1.00 0.00 C ATOM 237 CD GLN A 15 10.180 -20.426 -11.029 1.00 0.00 C ATOM 238 OE1 GLN A 15 8.967 -20.237 -11.023 1.00 0.00 O ATOM 239 NE2 GLN A 15 10.854 -20.668 -9.908 1.00 0.00 N ATOM 0 H GLN A 15 11.155 -18.393 -14.428 1.00 0.00 H new ATOM 0 HA GLN A 15 11.709 -21.191 -14.724 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.398 -19.596 -13.560 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.457 -21.347 -13.535 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.662 -21.250 -12.348 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.588 -19.499 -12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.862 -20.822 -9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.363 -20.700 -9.015 1.00 0.00 H new ATOM 248 N LYS A 16 9.781 -19.819 -16.915 1.00 0.00 N ATOM 249 CA LYS A 16 9.146 -20.068 -18.203 1.00 0.00 C ATOM 250 C LYS A 16 10.183 -20.460 -19.263 1.00 0.00 C ATOM 251 O LYS A 16 9.834 -20.644 -20.428 1.00 0.00 O ATOM 252 CB LYS A 16 8.321 -18.854 -18.632 1.00 0.00 C ATOM 253 CG LYS A 16 7.158 -18.642 -17.660 1.00 0.00 C ATOM 254 CD LYS A 16 6.360 -17.407 -18.080 1.00 0.00 C ATOM 255 CE LYS A 16 5.250 -17.115 -17.069 1.00 0.00 C ATOM 256 NZ LYS A 16 4.260 -18.211 -17.021 1.00 0.00 N ATOM 0 H LYS A 16 9.964 -18.833 -16.728 1.00 0.00 H new ATOM 0 HA LYS A 16 8.465 -20.912 -18.098 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.952 -17.965 -18.657 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.939 -19.002 -19.642 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.512 -19.520 -17.652 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.536 -18.516 -16.646 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.025 -16.547 -18.157 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.927 -17.565 -19.068 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.685 -16.973 -16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.750 -16.183 -17.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.431 -17.906 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.965 -18.455 -17.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.687 -19.045 -16.569 1.00 0.00 H new ATOM 270 N GLY A 17 11.451 -20.588 -18.862 1.00 0.00 N ATOM 271 CA GLY A 17 12.527 -21.022 -19.743 1.00 0.00 C ATOM 272 C GLY A 17 13.149 -19.874 -20.531 1.00 0.00 C ATOM 273 O GLY A 17 13.916 -20.118 -21.461 1.00 0.00 O ATOM 0 H GLY A 17 11.757 -20.391 -17.909 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.301 -21.510 -19.150 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.142 -21.767 -20.439 1.00 0.00 H new ATOM 277 N ASP A 18 12.831 -18.621 -20.180 1.00 0.00 N ATOM 278 CA ASP A 18 13.342 -17.470 -20.904 1.00 0.00 C ATOM 279 C ASP A 18 14.786 -17.172 -20.493 1.00 0.00 C ATOM 280 O ASP A 18 15.057 -16.859 -19.334 1.00 0.00 O ATOM 281 CB ASP A 18 12.425 -16.271 -20.650 1.00 0.00 C ATOM 282 CG ASP A 18 12.720 -15.102 -21.587 1.00 0.00 C ATOM 283 OD1 ASP A 18 13.812 -15.103 -22.201 1.00 0.00 O ATOM 284 OD2 ASP A 18 11.847 -14.210 -21.680 1.00 0.00 O ATOM 0 H ASP A 18 12.221 -18.388 -19.397 1.00 0.00 H new ATOM 0 HA ASP A 18 13.351 -17.683 -21.973 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.387 -16.579 -20.774 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.539 -15.942 -19.617 1.00 0.00 H new ATOM 289 N GLN A 19 15.718 -17.275 -21.446 1.00 0.00 N ATOM 290 CA GLN A 19 17.127 -17.006 -21.199 1.00 0.00 C ATOM 291 C GLN A 19 17.432 -15.514 -21.204 1.00 0.00 C ATOM 292 O GLN A 19 18.436 -15.095 -20.633 1.00 0.00 O ATOM 293 CB GLN A 19 17.963 -17.700 -22.276 1.00 0.00 C ATOM 294 CG GLN A 19 18.304 -19.135 -21.881 1.00 0.00 C ATOM 295 CD GLN A 19 19.475 -19.159 -20.902 1.00 0.00 C ATOM 296 OE1 GLN A 19 19.236 -18.804 -19.644 1.00 0.00 O flip ATOM 297 NE2 GLN A 19 20.594 -19.497 -21.280 1.00 0.00 N flip ATOM 0 H GLN A 19 15.511 -17.547 -22.407 1.00 0.00 H new ATOM 0 HA GLN A 19 17.376 -17.391 -20.210 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.416 -17.701 -23.219 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.883 -17.139 -22.442 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.434 -19.610 -21.427 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.555 -19.713 -22.770 1.00 0.00 H new ATOM 0 HE21 GLN A 19 20.745 -19.764 -22.253 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.372 -19.511 -20.621 1.00 0.00 H new ATOM 306 N LYS A 20 16.579 -14.705 -21.839 1.00 0.00 N ATOM 307 CA LYS A 20 16.823 -13.274 -21.919 1.00 0.00 C ATOM 308 C LYS A 20 16.492 -12.629 -20.582 1.00 0.00 C ATOM 309 O LYS A 20 17.088 -11.623 -20.209 1.00 0.00 O ATOM 310 CB LYS A 20 15.980 -12.670 -23.042 1.00 0.00 C ATOM 311 CG LYS A 20 16.098 -13.456 -24.351 1.00 0.00 C ATOM 312 CD LYS A 20 17.544 -13.718 -24.789 1.00 0.00 C ATOM 313 CE LYS A 20 18.354 -12.425 -24.810 1.00 0.00 C ATOM 314 NZ LYS A 20 19.714 -12.660 -25.333 1.00 0.00 N ATOM 0 H LYS A 20 15.724 -15.018 -22.299 1.00 0.00 H new ATOM 0 HA LYS A 20 17.874 -13.089 -22.143 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.935 -12.641 -22.732 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.291 -11.639 -23.211 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.584 -14.411 -24.238 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.583 -12.908 -25.140 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.010 -14.432 -24.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.551 -14.171 -25.780 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.846 -11.684 -25.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.414 -12.013 -23.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.244 -11.765 -25.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.204 -13.350 -24.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.654 -13.031 -26.303 1.00 0.00 H new ATOM 328 N ALA A 21 15.538 -13.219 -19.859 1.00 0.00 N ATOM 329 CA ALA A 21 15.177 -12.759 -18.533 1.00 0.00 C ATOM 330 C ALA A 21 16.278 -13.106 -17.533 1.00 0.00 C ATOM 331 O ALA A 21 16.480 -12.384 -16.560 1.00 0.00 O ATOM 332 CB ALA A 21 13.856 -13.416 -18.140 1.00 0.00 C ATOM 0 H ALA A 21 15.001 -14.024 -20.181 1.00 0.00 H new ATOM 0 HA ALA A 21 15.061 -11.675 -18.530 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.566 -13.083 -17.144 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.083 -13.136 -18.856 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.974 -14.500 -18.140 1.00 0.00 H new ATOM 338 N PHE A 22 16.998 -14.209 -17.764 1.00 0.00 N ATOM 339 CA PHE A 22 18.070 -14.597 -16.865 1.00 0.00 C ATOM 340 C PHE A 22 19.333 -13.800 -17.162 1.00 0.00 C ATOM 341 O PHE A 22 20.071 -13.455 -16.244 1.00 0.00 O ATOM 342 CB PHE A 22 18.332 -16.100 -16.962 1.00 0.00 C ATOM 343 CG PHE A 22 19.224 -16.588 -15.843 1.00 0.00 C ATOM 344 CD1 PHE A 22 18.744 -16.583 -14.525 1.00 0.00 C ATOM 345 CD2 PHE A 22 20.526 -17.034 -16.110 1.00 0.00 C ATOM 346 CE1 PHE A 22 19.566 -17.009 -13.473 1.00 0.00 C ATOM 347 CE2 PHE A 22 21.351 -17.459 -15.059 1.00 0.00 C ATOM 348 CZ PHE A 22 20.873 -17.438 -13.739 1.00 0.00 C ATOM 0 H PHE A 22 16.855 -14.836 -18.556 1.00 0.00 H new ATOM 0 HA PHE A 22 17.764 -14.373 -15.843 1.00 0.00 H new ATOM 0 HB2 PHE A 22 17.384 -16.637 -16.931 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.796 -16.327 -17.922 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.737 -16.250 -14.320 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.894 -17.050 -17.125 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.193 -17.007 -12.460 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.354 -17.802 -15.265 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.513 -17.753 -12.928 1.00 0.00 H new ATOM 358 N ASN A 23 19.597 -13.495 -18.435 1.00 0.00 N ATOM 359 CA ASN A 23 20.767 -12.717 -18.806 1.00 0.00 C ATOM 360 C ASN A 23 20.708 -11.330 -18.168 1.00 0.00 C ATOM 361 O ASN A 23 21.742 -10.777 -17.797 1.00 0.00 O ATOM 362 CB ASN A 23 20.829 -12.628 -20.331 1.00 0.00 C ATOM 363 CG ASN A 23 22.042 -11.840 -20.800 1.00 0.00 C ATOM 364 OD1 ASN A 23 21.899 -10.522 -20.914 1.00 0.00 O flip ATOM 365 ND2 ASN A 23 23.099 -12.408 -21.055 1.00 0.00 N flip ATOM 0 H ASN A 23 19.012 -13.778 -19.221 1.00 0.00 H new ATOM 0 HA ASN A 23 21.672 -13.202 -18.440 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.862 -13.632 -20.753 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.921 -12.155 -20.705 1.00 0.00 H new ATOM 0 HD21 ASN A 23 23.171 -13.421 -20.956 1.00 0.00 H new ATOM 0 HD22 ASN A 23 23.906 -11.868 -21.366 1.00 0.00 H new ATOM 372 N LEU A 24 19.508 -10.765 -18.034 1.00 0.00 N ATOM 373 CA LEU A 24 19.324 -9.468 -17.402 1.00 0.00 C ATOM 374 C LEU A 24 19.421 -9.594 -15.881 1.00 0.00 C ATOM 375 O LEU A 24 19.814 -8.643 -15.209 1.00 0.00 O ATOM 376 CB LEU A 24 17.961 -8.920 -17.823 1.00 0.00 C ATOM 377 CG LEU A 24 17.992 -8.143 -19.144 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.890 -8.769 -20.216 1.00 0.00 C ATOM 379 CD2 LEU A 24 16.565 -8.079 -19.683 1.00 0.00 C ATOM 0 H LEU A 24 18.643 -11.195 -18.360 1.00 0.00 H new ATOM 0 HA LEU A 24 20.108 -8.781 -17.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.259 -9.748 -17.915 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.583 -8.267 -17.036 1.00 0.00 H new ATOM 0 HG LEU A 24 18.408 -7.159 -18.929 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.857 -8.160 -21.119 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.915 -8.818 -19.849 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.538 -9.775 -20.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 16.556 -7.530 -20.625 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.193 -9.090 -19.848 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.926 -7.571 -18.961 1.00 0.00 H new ATOM 391 N LEU A 25 19.073 -10.763 -15.338 1.00 0.00 N ATOM 392 CA LEU A 25 19.205 -11.036 -13.915 1.00 0.00 C ATOM 393 C LEU A 25 20.682 -11.243 -13.552 1.00 0.00 C ATOM 394 O LEU A 25 21.093 -10.966 -12.427 1.00 0.00 O ATOM 395 CB LEU A 25 18.355 -12.274 -13.612 1.00 0.00 C ATOM 396 CG LEU A 25 18.267 -12.635 -12.128 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.547 -11.556 -11.321 1.00 0.00 C ATOM 398 CD2 LEU A 25 17.475 -13.933 -12.003 1.00 0.00 C ATOM 0 H LEU A 25 18.693 -11.542 -15.876 1.00 0.00 H new ATOM 0 HA LEU A 25 18.854 -10.199 -13.312 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.347 -12.109 -13.993 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.767 -13.124 -14.156 1.00 0.00 H new ATOM 0 HG LEU A 25 19.280 -12.734 -11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.506 -11.852 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.087 -10.613 -11.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.533 -11.432 -11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.398 -14.212 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.476 -13.791 -12.415 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.985 -14.725 -12.552 1.00 0.00 H new ATOM 410 N VAL A 26 21.483 -11.727 -14.510 1.00 0.00 N ATOM 411 CA VAL A 26 22.921 -11.877 -14.326 1.00 0.00 C ATOM 412 C VAL A 26 23.578 -10.503 -14.345 1.00 0.00 C ATOM 413 O VAL A 26 24.408 -10.212 -13.491 1.00 0.00 O ATOM 414 CB VAL A 26 23.504 -12.769 -15.431 1.00 0.00 C ATOM 415 CG1 VAL A 26 25.033 -12.742 -15.402 1.00 0.00 C ATOM 416 CG2 VAL A 26 23.053 -14.219 -15.248 1.00 0.00 C ATOM 0 H VAL A 26 21.149 -12.022 -15.427 1.00 0.00 H new ATOM 0 HA VAL A 26 23.118 -12.352 -13.365 1.00 0.00 H new ATOM 0 HB VAL A 26 23.143 -12.381 -16.384 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.423 -13.381 -16.194 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.382 -11.721 -15.555 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.385 -13.105 -14.436 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.477 -14.835 -16.041 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.395 -14.587 -14.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.965 -14.270 -15.291 1.00 0.00 H new ATOM 426 N VAL A 27 23.216 -9.650 -15.309 1.00 0.00 N ATOM 427 CA VAL A 27 23.785 -8.308 -15.413 1.00 0.00 C ATOM 428 C VAL A 27 23.426 -7.480 -14.182 1.00 0.00 C ATOM 429 O VAL A 27 24.124 -6.522 -13.855 1.00 0.00 O ATOM 430 CB VAL A 27 23.281 -7.647 -16.703 1.00 0.00 C ATOM 431 CG1 VAL A 27 23.648 -6.168 -16.770 1.00 0.00 C ATOM 432 CG2 VAL A 27 23.915 -8.343 -17.910 1.00 0.00 C ATOM 0 H VAL A 27 22.528 -9.869 -16.030 1.00 0.00 H new ATOM 0 HA VAL A 27 24.872 -8.371 -15.455 1.00 0.00 H new ATOM 0 HB VAL A 27 22.195 -7.740 -16.712 1.00 0.00 H new ATOM 0 HG11 VAL A 27 23.271 -5.741 -17.700 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.203 -5.644 -15.924 1.00 0.00 H new ATOM 0 HG13 VAL A 27 24.732 -6.060 -16.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 23.559 -7.876 -18.828 1.00 0.00 H new ATOM 0 HG22 VAL A 27 25.000 -8.252 -17.854 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.638 -9.397 -17.909 1.00 0.00 H new ATOM 442 N ARG A 28 22.338 -7.842 -13.496 1.00 0.00 N ATOM 443 CA ARG A 28 21.885 -7.128 -12.314 1.00 0.00 C ATOM 444 C ARG A 28 22.779 -7.410 -11.108 1.00 0.00 C ATOM 445 O ARG A 28 23.013 -6.513 -10.299 1.00 0.00 O ATOM 446 CB ARG A 28 20.435 -7.539 -12.040 1.00 0.00 C ATOM 447 CG ARG A 28 19.823 -6.712 -10.909 1.00 0.00 C ATOM 448 CD ARG A 28 18.352 -7.076 -10.691 1.00 0.00 C ATOM 449 NE ARG A 28 17.523 -6.697 -11.843 1.00 0.00 N ATOM 450 CZ ARG A 28 16.188 -6.611 -11.809 1.00 0.00 C ATOM 451 NH1 ARG A 28 15.509 -6.894 -10.703 1.00 0.00 N ATOM 452 NH2 ARG A 28 15.514 -6.237 -12.891 1.00 0.00 N ATOM 0 H ARG A 28 21.752 -8.638 -13.749 1.00 0.00 H new ATOM 0 HA ARG A 28 21.941 -6.054 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 28 19.842 -7.413 -12.946 1.00 0.00 H new ATOM 0 HB3 ARG A 28 20.398 -8.597 -11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 28 20.382 -6.880 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.907 -5.651 -11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.264 -8.148 -10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.982 -6.576 -9.796 1.00 0.00 H new ATOM 0 HE ARG A 28 17.994 -6.486 -12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.005 -7.183 -9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.492 -6.822 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.014 -6.014 -13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.496 -6.173 -12.861 1.00 0.00 H new ATOM 466 N TYR A 29 23.278 -8.645 -10.979 1.00 0.00 N ATOM 467 CA TYR A 29 24.063 -9.039 -9.817 1.00 0.00 C ATOM 468 C TYR A 29 25.517 -9.385 -10.130 1.00 0.00 C ATOM 469 O TYR A 29 26.252 -9.736 -9.209 1.00 0.00 O ATOM 470 CB TYR A 29 23.353 -10.187 -9.102 1.00 0.00 C ATOM 471 CG TYR A 29 22.023 -9.770 -8.517 1.00 0.00 C ATOM 472 CD1 TYR A 29 21.991 -8.844 -7.465 1.00 0.00 C ATOM 473 CD2 TYR A 29 20.826 -10.301 -9.023 1.00 0.00 C ATOM 474 CE1 TYR A 29 20.764 -8.426 -6.930 1.00 0.00 C ATOM 475 CE2 TYR A 29 19.595 -9.894 -8.486 1.00 0.00 C ATOM 476 CZ TYR A 29 19.560 -8.951 -7.441 1.00 0.00 C ATOM 477 OH TYR A 29 18.367 -8.550 -6.918 1.00 0.00 O ATOM 0 H TYR A 29 23.149 -9.385 -11.669 1.00 0.00 H new ATOM 0 HA TYR A 29 24.126 -8.171 -9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 29 23.197 -11.007 -9.803 1.00 0.00 H new ATOM 0 HB3 TYR A 29 23.994 -10.567 -8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 29 22.914 -8.451 -7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.853 -11.023 -9.826 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.742 -7.703 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.674 -10.304 -8.874 1.00 0.00 H new ATOM 0 HH TYR A 29 17.636 -9.007 -7.384 1.00 0.00 H new ATOM 487 N GLN A 30 25.957 -9.303 -11.388 1.00 0.00 N ATOM 488 CA GLN A 30 27.305 -9.742 -11.752 1.00 0.00 C ATOM 489 C GLN A 30 28.407 -8.964 -11.028 1.00 0.00 C ATOM 490 O GLN A 30 29.474 -9.522 -10.776 1.00 0.00 O ATOM 491 CB GLN A 30 27.496 -9.664 -13.270 1.00 0.00 C ATOM 492 CG GLN A 30 27.338 -8.240 -13.806 1.00 0.00 C ATOM 493 CD GLN A 30 27.510 -8.180 -15.320 1.00 0.00 C ATOM 494 OE1 GLN A 30 27.792 -9.183 -15.970 1.00 0.00 O ATOM 495 NE2 GLN A 30 27.338 -6.996 -15.897 1.00 0.00 N ATOM 0 H GLN A 30 25.405 -8.940 -12.165 1.00 0.00 H new ATOM 0 HA GLN A 30 27.397 -10.778 -11.427 1.00 0.00 H new ATOM 0 HB2 GLN A 30 28.486 -10.039 -13.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.771 -10.315 -13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 30 26.353 -7.858 -13.537 1.00 0.00 H new ATOM 0 HG3 GLN A 30 28.073 -7.590 -13.331 1.00 0.00 H new ATOM 0 HE21 GLN A 30 27.104 -6.181 -15.330 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.440 -6.902 -16.908 1.00 0.00 H new ATOM 504 N HIS A 31 28.173 -7.691 -10.688 1.00 0.00 N ATOM 505 CA HIS A 31 29.173 -6.903 -9.980 1.00 0.00 C ATOM 506 C HIS A 31 29.109 -7.183 -8.481 1.00 0.00 C ATOM 507 O HIS A 31 30.115 -7.095 -7.779 1.00 0.00 O ATOM 508 CB HIS A 31 28.938 -5.422 -10.272 1.00 0.00 C ATOM 509 CG HIS A 31 29.966 -4.531 -9.628 1.00 0.00 C ATOM 510 ND1 HIS A 31 31.279 -4.360 -10.070 1.00 0.00 N ATOM 511 CD2 HIS A 31 29.757 -3.755 -8.523 1.00 0.00 C ATOM 512 CE1 HIS A 31 31.830 -3.479 -9.217 1.00 0.00 C ATOM 513 NE2 HIS A 31 30.942 -3.101 -8.280 1.00 0.00 N ATOM 0 H HIS A 31 27.306 -7.193 -10.892 1.00 0.00 H new ATOM 0 HA HIS A 31 30.169 -7.180 -10.324 1.00 0.00 H new ATOM 0 HB2 HIS A 31 28.950 -5.263 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS A 31 27.946 -5.139 -9.919 1.00 0.00 H new ATOM 0 HD2 HIS A 31 28.843 -3.672 -7.954 1.00 0.00 H new ATOM 0 HE1 HIS A 31 32.848 -3.123 -9.276 1.00 0.00 H new ATOM 0 HE2 HIS A 31 31.117 -2.443 -7.521 1.00 0.00 H new ATOM 521 N LYS A 32 27.915 -7.529 -7.991 1.00 0.00 N ATOM 522 CA LYS A 32 27.684 -7.838 -6.591 1.00 0.00 C ATOM 523 C LYS A 32 28.294 -9.182 -6.223 1.00 0.00 C ATOM 524 O LYS A 32 28.963 -9.303 -5.200 1.00 0.00 O ATOM 525 CB LYS A 32 26.168 -7.826 -6.374 1.00 0.00 C ATOM 526 CG LYS A 32 25.738 -8.606 -5.134 1.00 0.00 C ATOM 527 CD LYS A 32 25.181 -9.976 -5.545 1.00 0.00 C ATOM 528 CE LYS A 32 25.010 -10.883 -4.331 1.00 0.00 C ATOM 529 NZ LYS A 32 24.478 -12.203 -4.720 1.00 0.00 N ATOM 0 H LYS A 32 27.077 -7.601 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 32 28.162 -7.101 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.827 -6.795 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.677 -8.249 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 32 26.587 -8.736 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 24.981 -8.046 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.221 -9.847 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 32 25.854 -10.446 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 32 25.970 -11.008 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.336 -10.413 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.135 -12.702 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.693 -12.077 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.231 -12.762 -5.170 1.00 0.00 H new ATOM 543 N VAL A 33 28.066 -10.192 -7.060 1.00 0.00 N ATOM 544 CA VAL A 33 28.549 -11.537 -6.780 1.00 0.00 C ATOM 545 C VAL A 33 30.058 -11.627 -6.957 1.00 0.00 C ATOM 546 O VAL A 33 30.711 -12.403 -6.263 1.00 0.00 O ATOM 547 CB VAL A 33 27.808 -12.534 -7.669 1.00 0.00 C ATOM 548 CG1 VAL A 33 28.182 -12.355 -9.131 1.00 0.00 C ATOM 549 CG2 VAL A 33 28.118 -13.968 -7.246 1.00 0.00 C ATOM 0 H VAL A 33 27.550 -10.102 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 33 28.345 -11.785 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 33 26.742 -12.341 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 33 27.638 -13.079 -9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 33 27.923 -11.346 -9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.254 -12.511 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 33 27.580 -14.662 -7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 33 29.190 -14.149 -7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.806 -14.118 -6.213 1.00 0.00 H new ATOM 559 N ALA A 34 30.628 -10.839 -7.874 1.00 0.00 N ATOM 560 CA ALA A 34 32.066 -10.848 -8.081 1.00 0.00 C ATOM 561 C ALA A 34 32.781 -10.248 -6.873 1.00 0.00 C ATOM 562 O ALA A 34 33.927 -10.600 -6.600 1.00 0.00 O ATOM 563 CB ALA A 34 32.380 -10.066 -9.356 1.00 0.00 C ATOM 0 H ALA A 34 30.115 -10.195 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 34 32.421 -11.872 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 34 33.457 -10.064 -9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 34 31.880 -10.536 -10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 34 32.027 -9.040 -9.250 1.00 0.00 H new ATOM 569 N SER A 35 32.112 -9.349 -6.144 1.00 0.00 N ATOM 570 CA SER A 35 32.665 -8.750 -4.940 1.00 0.00 C ATOM 571 C SER A 35 32.509 -9.700 -3.754 1.00 0.00 C ATOM 572 O SER A 35 33.242 -9.586 -2.774 1.00 0.00 O ATOM 573 CB SER A 35 31.970 -7.416 -4.657 1.00 0.00 C ATOM 574 OG SER A 35 32.171 -6.522 -5.734 1.00 0.00 O ATOM 0 H SER A 35 31.175 -9.021 -6.377 1.00 0.00 H new ATOM 0 HA SER A 35 33.729 -8.566 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.903 -7.579 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 35 32.361 -6.982 -3.737 1.00 0.00 H new ATOM 0 HG SER A 35 31.502 -6.692 -6.429 1.00 0.00 H new ATOM 580 N LEU A 36 31.557 -10.637 -3.841 1.00 0.00 N ATOM 581 CA LEU A 36 31.298 -11.599 -2.781 1.00 0.00 C ATOM 582 C LEU A 36 32.217 -12.811 -2.895 1.00 0.00 C ATOM 583 O LEU A 36 32.728 -13.279 -1.881 1.00 0.00 O ATOM 584 CB LEU A 36 29.826 -12.020 -2.861 1.00 0.00 C ATOM 585 CG LEU A 36 29.465 -13.137 -1.876 1.00 0.00 C ATOM 586 CD1 LEU A 36 29.672 -12.717 -0.420 1.00 0.00 C ATOM 587 CD2 LEU A 36 27.993 -13.486 -2.066 1.00 0.00 C ATOM 0 H LEU A 36 30.948 -10.743 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 36 31.501 -11.138 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 29.195 -11.153 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 36 29.604 -12.352 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 36 30.117 -13.987 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 36 29.402 -13.543 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 36 30.718 -12.454 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 36 29.043 -11.855 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 36 27.715 -14.280 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 36 27.382 -12.605 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 36 27.828 -13.823 -3.089 1.00 0.00 H new ATOM 599 N VAL A 37 32.442 -13.334 -4.106 1.00 0.00 N ATOM 600 CA VAL A 37 33.292 -14.511 -4.249 1.00 0.00 C ATOM 601 C VAL A 37 34.765 -14.119 -4.182 1.00 0.00 C ATOM 602 O VAL A 37 35.611 -14.961 -3.889 1.00 0.00 O ATOM 603 CB VAL A 37 32.968 -15.298 -5.520 1.00 0.00 C ATOM 604 CG1 VAL A 37 31.477 -15.638 -5.587 1.00 0.00 C ATOM 605 CG2 VAL A 37 33.370 -14.559 -6.785 1.00 0.00 C ATOM 0 H VAL A 37 32.057 -12.969 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 37 33.084 -15.178 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 37 33.554 -16.215 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 37 31.272 -16.198 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.202 -16.242 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 30.894 -14.717 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 37 33.117 -15.164 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 37 32.838 -13.609 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 37 34.444 -14.373 -6.772 1.00 0.00 H new ATOM 615 N SER A 38 35.086 -12.847 -4.447 1.00 0.00 N ATOM 616 CA SER A 38 36.452 -12.351 -4.331 1.00 0.00 C ATOM 617 C SER A 38 36.963 -12.498 -2.895 1.00 0.00 C ATOM 618 O SER A 38 38.165 -12.418 -2.646 1.00 0.00 O ATOM 619 CB SER A 38 36.496 -10.888 -4.780 1.00 0.00 C ATOM 620 OG SER A 38 37.805 -10.368 -4.674 1.00 0.00 O ATOM 0 H SER A 38 34.410 -12.143 -4.744 1.00 0.00 H new ATOM 0 HA SER A 38 37.105 -12.942 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 38 36.151 -10.809 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 38 35.814 -10.295 -4.170 1.00 0.00 H new ATOM 0 HG SER A 38 37.810 -9.433 -4.967 1.00 0.00 H new ATOM 626 N ARG A 39 36.052 -12.718 -1.941 1.00 0.00 N ATOM 627 CA ARG A 39 36.405 -12.899 -0.539 1.00 0.00 C ATOM 628 C ARG A 39 36.895 -14.319 -0.264 1.00 0.00 C ATOM 629 O ARG A 39 37.419 -14.578 0.818 1.00 0.00 O ATOM 630 CB ARG A 39 35.184 -12.590 0.338 1.00 0.00 C ATOM 631 CG ARG A 39 34.628 -11.192 0.055 1.00 0.00 C ATOM 632 CD ARG A 39 33.415 -10.905 0.943 1.00 0.00 C ATOM 633 NE ARG A 39 33.774 -10.908 2.366 1.00 0.00 N ATOM 634 CZ ARG A 39 34.300 -9.862 3.015 1.00 0.00 C ATOM 635 NH1 ARG A 39 34.540 -8.716 2.383 1.00 0.00 N ATOM 636 NH2 ARG A 39 34.590 -9.964 4.310 1.00 0.00 N ATOM 0 H ARG A 39 35.050 -12.775 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 39 37.218 -12.214 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 39 34.408 -13.334 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 39 35.461 -12.666 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 39 35.401 -10.444 0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 39 34.344 -11.113 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 39 32.989 -9.938 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 39 32.644 -11.654 0.760 1.00 0.00 H new ATOM 0 HE ARG A 39 33.612 -11.764 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 39 34.323 -8.626 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 39 34.941 -7.928 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 39 34.411 -10.838 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 39 34.991 -9.169 4.807 1.00 0.00 H new ATOM 650 N TYR A 40 36.729 -15.235 -1.227 1.00 0.00 N ATOM 651 CA TYR A 40 37.083 -16.635 -1.043 1.00 0.00 C ATOM 652 C TYR A 40 38.010 -17.160 -2.145 1.00 0.00 C ATOM 653 O TYR A 40 38.600 -18.226 -1.984 1.00 0.00 O ATOM 654 CB TYR A 40 35.797 -17.459 -0.950 1.00 0.00 C ATOM 655 CG TYR A 40 34.801 -16.887 0.033 1.00 0.00 C ATOM 656 CD1 TYR A 40 35.030 -17.015 1.412 1.00 0.00 C ATOM 657 CD2 TYR A 40 33.656 -16.218 -0.428 1.00 0.00 C ATOM 658 CE1 TYR A 40 34.122 -16.467 2.330 1.00 0.00 C ATOM 659 CE2 TYR A 40 32.743 -15.668 0.486 1.00 0.00 C ATOM 660 CZ TYR A 40 32.974 -15.790 1.870 1.00 0.00 C ATOM 661 OH TYR A 40 32.095 -15.255 2.765 1.00 0.00 O ATOM 0 H TYR A 40 36.347 -15.021 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 40 37.649 -16.730 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 40 35.335 -17.515 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 40 36.045 -18.479 -0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 40 35.907 -17.536 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 40 33.477 -16.126 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 40 34.302 -16.564 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.864 -15.152 0.128 1.00 0.00 H new ATOM 0 HH TYR A 40 31.360 -14.822 2.283 1.00 0.00 H new ATOM 671 N VAL A 41 38.150 -16.433 -3.257 1.00 0.00 N ATOM 672 CA VAL A 41 39.068 -16.805 -4.333 1.00 0.00 C ATOM 673 C VAL A 41 39.810 -15.578 -4.856 1.00 0.00 C ATOM 674 O VAL A 41 39.300 -14.460 -4.757 1.00 0.00 O ATOM 675 CB VAL A 41 38.335 -17.496 -5.489 1.00 0.00 C ATOM 676 CG1 VAL A 41 37.983 -18.936 -5.130 1.00 0.00 C ATOM 677 CG2 VAL A 41 37.056 -16.766 -5.899 1.00 0.00 C ATOM 0 H VAL A 41 37.631 -15.573 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 41 39.787 -17.510 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 41 39.025 -17.477 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 41 37.464 -19.403 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 41 38.896 -19.491 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 41 37.337 -18.945 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 41 36.580 -17.300 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 41 36.373 -16.723 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 41 37.302 -15.753 -6.219 1.00 0.00 H new ATOM 687 N PRO A 42 41.012 -15.768 -5.413 1.00 0.00 N ATOM 688 CA PRO A 42 41.800 -14.704 -6.008 1.00 0.00 C ATOM 689 C PRO A 42 41.143 -14.222 -7.301 1.00 0.00 C ATOM 690 O PRO A 42 40.305 -14.919 -7.871 1.00 0.00 O ATOM 691 CB PRO A 42 43.177 -15.316 -6.273 1.00 0.00 C ATOM 692 CG PRO A 42 42.847 -16.790 -6.509 1.00 0.00 C ATOM 693 CD PRO A 42 41.706 -17.040 -5.527 1.00 0.00 C ATOM 0 HA PRO A 42 41.878 -13.832 -5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 42 43.661 -14.865 -7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 42 43.850 -15.182 -5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 42 42.543 -16.977 -7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 42 43.703 -17.434 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 42 41.038 -17.821 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 42 42.085 -17.369 -4.559 1.00 0.00 H new ATOM 701 N SER A 43 41.522 -13.030 -7.766 1.00 0.00 N ATOM 702 CA SER A 43 40.910 -12.395 -8.927 1.00 0.00 C ATOM 703 C SER A 43 41.051 -13.234 -10.196 1.00 0.00 C ATOM 704 O SER A 43 40.322 -13.014 -11.164 1.00 0.00 O ATOM 705 CB SER A 43 41.554 -11.026 -9.135 1.00 0.00 C ATOM 706 OG SER A 43 42.939 -11.170 -9.383 1.00 0.00 O ATOM 0 H SER A 43 42.267 -12.477 -7.342 1.00 0.00 H new ATOM 0 HA SER A 43 39.842 -12.294 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.078 -10.516 -9.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.398 -10.405 -8.253 1.00 0.00 H new ATOM 0 HG SER A 43 43.341 -10.286 -9.517 1.00 0.00 H new ATOM 712 N GLY A 44 41.979 -14.195 -10.206 1.00 0.00 N ATOM 713 CA GLY A 44 42.188 -15.074 -11.344 1.00 0.00 C ATOM 714 C GLY A 44 41.112 -16.153 -11.455 1.00 0.00 C ATOM 715 O GLY A 44 40.983 -16.775 -12.507 1.00 0.00 O ATOM 0 H GLY A 44 42.604 -14.380 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.200 -14.482 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.166 -15.548 -11.258 1.00 0.00 H new ATOM 719 N ASP A 45 40.339 -16.380 -10.385 1.00 0.00 N ATOM 720 CA ASP A 45 39.293 -17.393 -10.369 1.00 0.00 C ATOM 721 C ASP A 45 37.912 -16.785 -10.134 1.00 0.00 C ATOM 722 O ASP A 45 36.914 -17.498 -10.207 1.00 0.00 O ATOM 723 CB ASP A 45 39.622 -18.446 -9.310 1.00 0.00 C ATOM 724 CG ASP A 45 40.924 -19.177 -9.627 1.00 0.00 C ATOM 725 OD1 ASP A 45 41.082 -19.606 -10.791 1.00 0.00 O ATOM 726 OD2 ASP A 45 41.756 -19.297 -8.700 1.00 0.00 O ATOM 0 H ASP A 45 40.427 -15.863 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 45 39.259 -17.868 -11.349 1.00 0.00 H new ATOM 0 HB2 ASP A 45 39.701 -17.968 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 45 38.806 -19.166 -9.247 1.00 0.00 H new ATOM 731 N VAL A 46 37.829 -15.481 -9.858 1.00 0.00 N ATOM 732 CA VAL A 46 36.551 -14.817 -9.640 1.00 0.00 C ATOM 733 C VAL A 46 35.611 -14.987 -10.836 1.00 0.00 C ATOM 734 O VAL A 46 34.469 -15.390 -10.626 1.00 0.00 O ATOM 735 CB VAL A 46 36.765 -13.331 -9.317 1.00 0.00 C ATOM 736 CG1 VAL A 46 35.443 -12.559 -9.348 1.00 0.00 C ATOM 737 CG2 VAL A 46 37.352 -13.185 -7.916 1.00 0.00 C ATOM 0 H VAL A 46 38.639 -14.866 -9.781 1.00 0.00 H new ATOM 0 HA VAL A 46 36.073 -15.293 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 46 37.442 -12.928 -10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 46 35.628 -11.510 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 46 34.999 -12.637 -10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 46 34.759 -12.979 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 46 37.502 -12.129 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 46 36.666 -13.616 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 46 38.308 -13.705 -7.866 1.00 0.00 H new ATOM 747 N PRO A 47 36.026 -14.707 -12.082 1.00 0.00 N ATOM 748 CA PRO A 47 35.119 -14.761 -13.216 1.00 0.00 C ATOM 749 C PRO A 47 34.661 -16.188 -13.511 1.00 0.00 C ATOM 750 O PRO A 47 33.620 -16.383 -14.133 1.00 0.00 O ATOM 751 CB PRO A 47 35.906 -14.175 -14.389 1.00 0.00 C ATOM 752 CG PRO A 47 37.354 -14.478 -14.021 1.00 0.00 C ATOM 753 CD PRO A 47 37.354 -14.307 -12.509 1.00 0.00 C ATOM 0 HA PRO A 47 34.205 -14.201 -13.020 1.00 0.00 H new ATOM 0 HB2 PRO A 47 35.625 -14.639 -15.335 1.00 0.00 H new ATOM 0 HB3 PRO A 47 35.733 -13.104 -14.495 1.00 0.00 H new ATOM 0 HG2 PRO A 47 37.645 -15.487 -14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 47 38.048 -13.792 -14.507 1.00 0.00 H new ATOM 0 HD2 PRO A 47 38.121 -14.926 -12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 47 37.564 -13.275 -12.229 1.00 0.00 H new ATOM 761 N ASP A 48 35.424 -17.194 -13.068 1.00 0.00 N ATOM 762 CA ASP A 48 35.060 -18.584 -13.291 1.00 0.00 C ATOM 763 C ASP A 48 34.091 -19.067 -12.211 1.00 0.00 C ATOM 764 O ASP A 48 33.208 -19.881 -12.481 1.00 0.00 O ATOM 765 CB ASP A 48 36.331 -19.432 -13.309 1.00 0.00 C ATOM 766 CG ASP A 48 36.017 -20.889 -13.640 1.00 0.00 C ATOM 767 OD1 ASP A 48 35.681 -21.150 -14.817 1.00 0.00 O ATOM 768 OD2 ASP A 48 36.115 -21.726 -12.718 1.00 0.00 O ATOM 0 H ASP A 48 36.295 -17.064 -12.554 1.00 0.00 H new ATOM 0 HA ASP A 48 34.552 -18.680 -14.251 1.00 0.00 H new ATOM 0 HB2 ASP A 48 37.028 -19.031 -14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.824 -19.375 -12.338 1.00 0.00 H new ATOM 773 N VAL A 49 34.245 -18.561 -10.984 1.00 0.00 N ATOM 774 CA VAL A 49 33.383 -18.926 -9.869 1.00 0.00 C ATOM 775 C VAL A 49 32.072 -18.148 -9.941 1.00 0.00 C ATOM 776 O VAL A 49 31.034 -18.645 -9.510 1.00 0.00 O ATOM 777 CB VAL A 49 34.130 -18.670 -8.559 1.00 0.00 C ATOM 778 CG1 VAL A 49 33.216 -18.856 -7.348 1.00 0.00 C ATOM 779 CG2 VAL A 49 35.284 -19.664 -8.420 1.00 0.00 C ATOM 0 H VAL A 49 34.972 -17.888 -10.741 1.00 0.00 H new ATOM 0 HA VAL A 49 33.130 -19.985 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 49 34.493 -17.643 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 49 33.779 -18.666 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 32.381 -18.158 -7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 49 32.834 -19.877 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 49 35.814 -19.478 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 49 34.890 -20.680 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 49 35.972 -19.543 -9.257 1.00 0.00 H new ATOM 789 N VAL A 50 32.102 -16.928 -10.490 1.00 0.00 N ATOM 790 CA VAL A 50 30.893 -16.142 -10.684 1.00 0.00 C ATOM 791 C VAL A 50 30.049 -16.772 -11.783 1.00 0.00 C ATOM 792 O VAL A 50 28.822 -16.779 -11.697 1.00 0.00 O ATOM 793 CB VAL A 50 31.256 -14.706 -11.080 1.00 0.00 C ATOM 794 CG1 VAL A 50 30.037 -13.971 -11.636 1.00 0.00 C ATOM 795 CG2 VAL A 50 31.779 -13.940 -9.869 1.00 0.00 C ATOM 0 H VAL A 50 32.956 -16.469 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 50 30.328 -16.123 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 50 32.028 -14.758 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 30.319 -12.954 -11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.667 -14.495 -12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 50 29.255 -13.939 -10.878 1.00 0.00 H new ATOM 0 HG21 VAL A 50 32.033 -12.922 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 50 31.011 -13.913 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 50 32.668 -14.437 -9.480 1.00 0.00 H new ATOM 805 N GLN A 51 30.698 -17.307 -12.819 1.00 0.00 N ATOM 806 CA GLN A 51 29.978 -17.885 -13.937 1.00 0.00 C ATOM 807 C GLN A 51 29.318 -19.201 -13.533 1.00 0.00 C ATOM 808 O GLN A 51 28.291 -19.569 -14.097 1.00 0.00 O ATOM 809 CB GLN A 51 30.942 -18.057 -15.109 1.00 0.00 C ATOM 810 CG GLN A 51 30.192 -18.248 -16.428 1.00 0.00 C ATOM 811 CD GLN A 51 29.326 -17.036 -16.760 1.00 0.00 C ATOM 812 OE1 GLN A 51 28.111 -17.148 -16.901 1.00 0.00 O ATOM 813 NE2 GLN A 51 29.944 -15.865 -16.890 1.00 0.00 N ATOM 0 H GLN A 51 31.714 -17.348 -12.900 1.00 0.00 H new ATOM 0 HA GLN A 51 29.173 -17.219 -14.247 1.00 0.00 H new ATOM 0 HB2 GLN A 51 31.589 -17.183 -15.180 1.00 0.00 H new ATOM 0 HB3 GLN A 51 31.587 -18.917 -14.928 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.907 -18.417 -17.233 1.00 0.00 H new ATOM 0 HG3 GLN A 51 29.566 -19.138 -16.366 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.955 -15.805 -16.767 1.00 0.00 H new ATOM 0 HE22 GLN A 51 29.407 -15.027 -17.113 1.00 0.00 H new ATOM 822 N GLU A 52 29.892 -19.915 -12.561 1.00 0.00 N ATOM 823 CA GLU A 52 29.272 -21.124 -12.055 1.00 0.00 C ATOM 824 C GLU A 52 28.170 -20.779 -11.054 1.00 0.00 C ATOM 825 O GLU A 52 27.221 -21.542 -10.902 1.00 0.00 O ATOM 826 CB GLU A 52 30.343 -22.001 -11.410 1.00 0.00 C ATOM 827 CG GLU A 52 29.774 -23.354 -10.975 1.00 0.00 C ATOM 828 CD GLU A 52 29.248 -24.176 -12.153 1.00 0.00 C ATOM 829 OE1 GLU A 52 29.856 -24.079 -13.244 1.00 0.00 O ATOM 830 OE2 GLU A 52 28.243 -24.896 -11.960 1.00 0.00 O ATOM 0 H GLU A 52 30.778 -19.673 -12.117 1.00 0.00 H new ATOM 0 HA GLU A 52 28.812 -21.672 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 52 31.159 -22.158 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 52 30.763 -21.487 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 52 30.549 -23.921 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 52 28.967 -23.192 -10.260 1.00 0.00 H new ATOM 837 N ALA A 53 28.279 -19.637 -10.368 1.00 0.00 N ATOM 838 CA ALA A 53 27.293 -19.264 -9.364 1.00 0.00 C ATOM 839 C ALA A 53 25.949 -18.934 -10.011 1.00 0.00 C ATOM 840 O ALA A 53 24.906 -19.176 -9.405 1.00 0.00 O ATOM 841 CB ALA A 53 27.826 -18.081 -8.557 1.00 0.00 C ATOM 0 H ALA A 53 29.035 -18.964 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 53 27.125 -20.106 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 53 27.093 -17.795 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 53 28.758 -18.364 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 53 28.008 -17.238 -9.224 1.00 0.00 H new ATOM 847 N PHE A 54 25.958 -18.386 -11.229 1.00 0.00 N ATOM 848 CA PHE A 54 24.721 -18.105 -11.938 1.00 0.00 C ATOM 849 C PHE A 54 24.217 -19.336 -12.685 1.00 0.00 C ATOM 850 O PHE A 54 23.013 -19.539 -12.779 1.00 0.00 O ATOM 851 CB PHE A 54 24.926 -16.938 -12.906 1.00 0.00 C ATOM 852 CG PHE A 54 25.023 -15.583 -12.236 1.00 0.00 C ATOM 853 CD1 PHE A 54 23.963 -15.111 -11.449 1.00 0.00 C ATOM 854 CD2 PHE A 54 26.167 -14.793 -12.416 1.00 0.00 C ATOM 855 CE1 PHE A 54 24.045 -13.850 -10.843 1.00 0.00 C ATOM 856 CE2 PHE A 54 26.243 -13.528 -11.816 1.00 0.00 C ATOM 857 CZ PHE A 54 25.183 -13.058 -11.028 1.00 0.00 C ATOM 0 H PHE A 54 26.806 -18.132 -11.736 1.00 0.00 H new ATOM 0 HA PHE A 54 23.963 -17.830 -11.204 1.00 0.00 H new ATOM 0 HB2 PHE A 54 25.836 -17.113 -13.480 1.00 0.00 H new ATOM 0 HB3 PHE A 54 24.100 -16.921 -13.616 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.082 -15.720 -11.310 1.00 0.00 H new ATOM 0 HD2 PHE A 54 26.988 -15.158 -13.015 1.00 0.00 H new ATOM 0 HE1 PHE A 54 23.230 -13.490 -10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 54 27.120 -12.914 -11.961 1.00 0.00 H new ATOM 0 HZ PHE A 54 25.245 -12.085 -10.564 1.00 0.00 H new ATOM 867 N ILE A 55 25.111 -20.171 -13.220 1.00 0.00 N ATOM 868 CA ILE A 55 24.681 -21.368 -13.935 1.00 0.00 C ATOM 869 C ILE A 55 24.192 -22.426 -12.946 1.00 0.00 C ATOM 870 O ILE A 55 23.334 -23.238 -13.290 1.00 0.00 O ATOM 871 CB ILE A 55 25.829 -21.855 -14.826 1.00 0.00 C ATOM 872 CG1 ILE A 55 25.742 -21.218 -16.221 1.00 0.00 C ATOM 873 CG2 ILE A 55 25.802 -23.372 -15.000 1.00 0.00 C ATOM 874 CD1 ILE A 55 25.648 -19.692 -16.194 1.00 0.00 C ATOM 0 H ILE A 55 26.122 -20.041 -13.172 1.00 0.00 H new ATOM 0 HA ILE A 55 23.834 -21.146 -14.585 1.00 0.00 H new ATOM 0 HB ILE A 55 26.755 -21.562 -14.331 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.619 -21.509 -16.799 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.871 -21.618 -16.740 1.00 0.00 H new ATOM 0 HG21 ILE A 55 26.631 -23.680 -15.638 1.00 0.00 H new ATOM 0 HG22 ILE A 55 25.896 -23.852 -14.026 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.860 -23.669 -15.461 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.590 -19.313 -17.214 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.756 -19.392 -15.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.531 -19.282 -15.704 1.00 0.00 H new ATOM 886 N LYS A 56 24.722 -22.430 -11.718 1.00 0.00 N ATOM 887 CA LYS A 56 24.244 -23.331 -10.682 1.00 0.00 C ATOM 888 C LYS A 56 22.886 -22.851 -10.186 1.00 0.00 C ATOM 889 O LYS A 56 22.030 -23.665 -9.845 1.00 0.00 O ATOM 890 CB LYS A 56 25.266 -23.379 -9.544 1.00 0.00 C ATOM 891 CG LYS A 56 24.882 -24.381 -8.455 1.00 0.00 C ATOM 892 CD LYS A 56 24.744 -25.802 -9.002 1.00 0.00 C ATOM 893 CE LYS A 56 24.435 -26.794 -7.883 1.00 0.00 C ATOM 894 NZ LYS A 56 25.516 -26.835 -6.879 1.00 0.00 N ATOM 0 H LYS A 56 25.482 -21.816 -11.424 1.00 0.00 H new ATOM 0 HA LYS A 56 24.127 -24.339 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.243 -23.643 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 56 25.361 -22.387 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 56 25.637 -24.368 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.940 -24.076 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.950 -25.832 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.666 -26.092 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.498 -26.517 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.293 -27.788 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.434 -27.706 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.438 -26.819 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.439 -26.009 -6.252 1.00 0.00 H new ATOM 908 N ALA A 57 22.683 -21.534 -10.154 1.00 0.00 N ATOM 909 CA ALA A 57 21.404 -20.973 -9.771 1.00 0.00 C ATOM 910 C ALA A 57 20.384 -21.176 -10.890 1.00 0.00 C ATOM 911 O ALA A 57 19.208 -21.356 -10.607 1.00 0.00 O ATOM 912 CB ALA A 57 21.584 -19.488 -9.468 1.00 0.00 C ATOM 0 H ALA A 57 23.394 -20.842 -10.390 1.00 0.00 H new ATOM 0 HA ALA A 57 21.032 -21.478 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 57 20.626 -19.057 -9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 57 22.297 -19.367 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 57 21.958 -18.978 -10.356 1.00 0.00 H new ATOM 918 N TYR A 58 20.815 -21.156 -12.153 1.00 0.00 N ATOM 919 CA TYR A 58 19.901 -21.268 -13.281 1.00 0.00 C ATOM 920 C TYR A 58 19.167 -22.602 -13.276 1.00 0.00 C ATOM 921 O TYR A 58 17.971 -22.650 -13.564 1.00 0.00 O ATOM 922 CB TYR A 58 20.685 -21.123 -14.583 1.00 0.00 C ATOM 923 CG TYR A 58 19.813 -21.280 -15.805 1.00 0.00 C ATOM 924 CD1 TYR A 58 18.869 -20.292 -16.127 1.00 0.00 C ATOM 925 CD2 TYR A 58 19.941 -22.420 -16.612 1.00 0.00 C ATOM 926 CE1 TYR A 58 18.048 -20.444 -17.253 1.00 0.00 C ATOM 927 CE2 TYR A 58 19.128 -22.576 -17.743 1.00 0.00 C ATOM 928 CZ TYR A 58 18.177 -21.587 -18.068 1.00 0.00 C ATOM 929 OH TYR A 58 17.383 -21.735 -19.169 1.00 0.00 O ATOM 0 H TYR A 58 21.796 -21.063 -12.416 1.00 0.00 H new ATOM 0 HA TYR A 58 19.158 -20.475 -13.197 1.00 0.00 H new ATOM 0 HB2 TYR A 58 21.165 -20.145 -14.607 1.00 0.00 H new ATOM 0 HB3 TYR A 58 21.479 -21.869 -14.610 1.00 0.00 H new ATOM 0 HD1 TYR A 58 18.775 -19.413 -15.506 1.00 0.00 H new ATOM 0 HD2 TYR A 58 20.667 -23.179 -16.361 1.00 0.00 H new ATOM 0 HE1 TYR A 58 17.318 -19.686 -17.496 1.00 0.00 H new ATOM 0 HE2 TYR A 58 19.230 -23.453 -18.365 1.00 0.00 H new ATOM 0 HH TYR A 58 17.602 -22.577 -19.619 1.00 0.00 H new ATOM 939 N ARG A 59 19.875 -23.685 -12.948 1.00 0.00 N ATOM 940 CA ARG A 59 19.283 -25.018 -12.931 1.00 0.00 C ATOM 941 C ARG A 59 18.695 -25.379 -11.573 1.00 0.00 C ATOM 942 O ARG A 59 18.045 -26.416 -11.446 1.00 0.00 O ATOM 943 CB ARG A 59 20.298 -26.046 -13.431 1.00 0.00 C ATOM 944 CG ARG A 59 21.523 -26.159 -12.526 1.00 0.00 C ATOM 945 CD ARG A 59 22.552 -27.053 -13.223 1.00 0.00 C ATOM 946 NE ARG A 59 23.739 -27.271 -12.385 1.00 0.00 N ATOM 947 CZ ARG A 59 24.985 -26.935 -12.730 1.00 0.00 C ATOM 948 NH1 ARG A 59 25.240 -26.345 -13.894 1.00 0.00 N ATOM 949 NH2 ARG A 59 25.998 -27.188 -11.907 1.00 0.00 N ATOM 0 H ARG A 59 20.862 -23.661 -12.690 1.00 0.00 H new ATOM 0 HA ARG A 59 18.435 -25.023 -13.616 1.00 0.00 H new ATOM 0 HB2 ARG A 59 19.815 -27.020 -13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 59 20.619 -25.773 -14.436 1.00 0.00 H new ATOM 0 HG2 ARG A 59 21.945 -25.173 -12.333 1.00 0.00 H new ATOM 0 HG3 ARG A 59 21.245 -26.581 -11.560 1.00 0.00 H new ATOM 0 HD2 ARG A 59 22.096 -28.013 -13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 59 22.851 -26.596 -14.166 1.00 0.00 H new ATOM 0 HE ARG A 59 23.602 -27.710 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 59 24.478 -26.142 -14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 59 26.198 -26.096 -14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 59 25.825 -27.640 -11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 59 26.948 -26.930 -12.173 1.00 0.00 H new ATOM 963 N ALA A 60 18.910 -24.538 -10.558 1.00 0.00 N ATOM 964 CA ALA A 60 18.310 -24.732 -9.248 1.00 0.00 C ATOM 965 C ALA A 60 17.167 -23.743 -8.987 1.00 0.00 C ATOM 966 O ALA A 60 16.462 -23.862 -7.986 1.00 0.00 O ATOM 967 CB ALA A 60 19.401 -24.613 -8.182 1.00 0.00 C ATOM 0 H ALA A 60 19.502 -23.710 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 60 17.867 -25.727 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 60 18.962 -24.757 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 60 20.163 -25.373 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 60 19.856 -23.624 -8.236 1.00 0.00 H new ATOM 973 N LEU A 61 16.975 -22.767 -9.882 1.00 0.00 N ATOM 974 CA LEU A 61 15.951 -21.736 -9.741 1.00 0.00 C ATOM 975 C LEU A 61 14.572 -22.306 -10.063 1.00 0.00 C ATOM 976 O LEU A 61 13.557 -21.726 -9.676 1.00 0.00 O ATOM 977 CB LEU A 61 16.366 -20.549 -10.623 1.00 0.00 C ATOM 978 CG LEU A 61 15.371 -19.389 -10.694 1.00 0.00 C ATOM 979 CD1 LEU A 61 16.162 -18.116 -10.991 1.00 0.00 C ATOM 980 CD2 LEU A 61 14.367 -19.574 -11.829 1.00 0.00 C ATOM 0 H LEU A 61 17.533 -22.674 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 61 15.872 -21.379 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.318 -20.164 -10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.539 -20.916 -11.635 1.00 0.00 H new ATOM 0 HG LEU A 61 14.830 -19.340 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.479 -17.268 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.888 -17.945 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.684 -18.226 -11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.678 -18.730 -11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.898 -19.628 -12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.807 -20.496 -11.673 1.00 0.00 H new ATOM 992 N ASP A 62 14.524 -23.441 -10.765 1.00 0.00 N ATOM 993 CA ASP A 62 13.280 -24.148 -11.022 1.00 0.00 C ATOM 994 C ASP A 62 12.796 -24.851 -9.751 1.00 0.00 C ATOM 995 O ASP A 62 11.683 -25.376 -9.709 1.00 0.00 O ATOM 996 CB ASP A 62 13.500 -25.137 -12.171 1.00 0.00 C ATOM 997 CG ASP A 62 12.199 -25.825 -12.576 1.00 0.00 C ATOM 998 OD1 ASP A 62 11.271 -25.099 -13.001 1.00 0.00 O ATOM 999 OD2 ASP A 62 12.139 -27.069 -12.463 1.00 0.00 O ATOM 0 H ASP A 62 15.347 -23.889 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 62 12.502 -23.443 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.917 -24.611 -13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.231 -25.888 -11.871 1.00 0.00 H new ATOM 1004 N SER A 63 13.638 -24.859 -8.709 1.00 0.00 N ATOM 1005 CA SER A 63 13.331 -25.454 -7.417 1.00 0.00 C ATOM 1006 C SER A 63 13.268 -24.393 -6.323 1.00 0.00 C ATOM 1007 O SER A 63 13.163 -24.726 -5.143 1.00 0.00 O ATOM 1008 CB SER A 63 14.365 -26.529 -7.082 1.00 0.00 C ATOM 1009 OG SER A 63 14.390 -27.512 -8.097 1.00 0.00 O ATOM 0 H SER A 63 14.568 -24.442 -8.749 1.00 0.00 H new ATOM 0 HA SER A 63 12.347 -25.920 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.351 -26.076 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.124 -26.990 -6.124 1.00 0.00 H new ATOM 0 HG SER A 63 15.056 -28.195 -7.874 1.00 0.00 H new ATOM 1015 N PHE A 64 13.327 -23.113 -6.704 1.00 0.00 N ATOM 1016 CA PHE A 64 13.246 -22.011 -5.757 1.00 0.00 C ATOM 1017 C PHE A 64 11.838 -21.955 -5.167 1.00 0.00 C ATOM 1018 O PHE A 64 10.854 -21.987 -5.907 1.00 0.00 O ATOM 1019 CB PHE A 64 13.612 -20.713 -6.480 1.00 0.00 C ATOM 1020 CG PHE A 64 13.572 -19.477 -5.610 1.00 0.00 C ATOM 1021 CD1 PHE A 64 14.410 -19.377 -4.490 1.00 0.00 C ATOM 1022 CD2 PHE A 64 12.701 -18.426 -5.928 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.377 -18.228 -3.692 1.00 0.00 C ATOM 1024 CE2 PHE A 64 12.672 -17.272 -5.132 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.513 -17.173 -4.015 1.00 0.00 C ATOM 0 H PHE A 64 13.432 -22.819 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 64 13.946 -22.154 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.613 -20.815 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.929 -20.574 -7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.081 -20.187 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.051 -18.505 -6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 64 15.018 -18.154 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.003 -16.461 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.495 -16.283 -3.403 1.00 0.00 H new ATOM 1035 N ARG A 65 11.737 -21.876 -3.836 1.00 0.00 N ATOM 1036 CA ARG A 65 10.455 -21.921 -3.143 1.00 0.00 C ATOM 1037 C ARG A 65 9.955 -20.533 -2.757 1.00 0.00 C ATOM 1038 O ARG A 65 8.775 -20.377 -2.444 1.00 0.00 O ATOM 1039 CB ARG A 65 10.577 -22.808 -1.904 1.00 0.00 C ATOM 1040 CG ARG A 65 10.942 -24.245 -2.283 1.00 0.00 C ATOM 1041 CD ARG A 65 10.965 -25.127 -1.036 1.00 0.00 C ATOM 1042 NE ARG A 65 11.967 -24.661 -0.068 1.00 0.00 N ATOM 1043 CZ ARG A 65 13.214 -25.131 0.022 1.00 0.00 C ATOM 1044 NH1 ARG A 65 13.650 -26.090 -0.791 1.00 0.00 N ATOM 1045 NH2 ARG A 65 14.040 -24.641 0.940 1.00 0.00 N ATOM 0 H ARG A 65 12.541 -21.780 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 65 9.719 -22.341 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.337 -22.402 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.635 -22.802 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.220 -24.635 -3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.917 -24.264 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.979 -25.127 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.183 -26.156 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 65 11.690 -23.925 0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.028 -26.480 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.606 -26.435 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.721 -23.908 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.993 -24.998 1.011 1.00 0.00 H new ATOM 1059 N GLY A 66 10.828 -19.521 -2.775 1.00 0.00 N ATOM 1060 CA GLY A 66 10.424 -18.168 -2.436 1.00 0.00 C ATOM 1061 C GLY A 66 10.269 -17.996 -0.927 1.00 0.00 C ATOM 1062 O GLY A 66 9.569 -17.091 -0.477 1.00 0.00 O ATOM 0 H GLY A 66 11.813 -19.620 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.164 -17.461 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.481 -17.934 -2.930 1.00 0.00 H new ATOM 1066 N ASP A 67 10.915 -18.865 -0.145 1.00 0.00 N ATOM 1067 CA ASP A 67 10.880 -18.801 1.311 1.00 0.00 C ATOM 1068 C ASP A 67 11.571 -17.530 1.815 1.00 0.00 C ATOM 1069 O ASP A 67 11.478 -17.195 2.995 1.00 0.00 O ATOM 1070 CB ASP A 67 11.567 -20.045 1.873 1.00 0.00 C ATOM 1071 CG ASP A 67 10.736 -21.311 1.676 1.00 0.00 C ATOM 1072 OD1 ASP A 67 9.490 -21.213 1.753 1.00 0.00 O ATOM 1073 OD2 ASP A 67 11.361 -22.370 1.448 1.00 0.00 O ATOM 0 H ASP A 67 11.478 -19.634 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 67 9.844 -18.769 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.536 -20.171 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.758 -19.901 2.936 1.00 0.00 H new ATOM 1078 N SER A 68 12.259 -16.824 0.915 1.00 0.00 N ATOM 1079 CA SER A 68 12.899 -15.547 1.182 1.00 0.00 C ATOM 1080 C SER A 68 13.053 -14.795 -0.140 1.00 0.00 C ATOM 1081 O SER A 68 12.744 -15.338 -1.200 1.00 0.00 O ATOM 1082 CB SER A 68 14.262 -15.795 1.829 1.00 0.00 C ATOM 1083 OG SER A 68 14.922 -14.574 2.078 1.00 0.00 O ATOM 0 H SER A 68 12.386 -17.140 -0.046 1.00 0.00 H new ATOM 0 HA SER A 68 12.297 -14.948 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.133 -16.342 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.873 -16.418 1.176 1.00 0.00 H new ATOM 0 HG SER A 68 15.236 -14.555 3.006 1.00 0.00 H new ATOM 1089 N ALA A 69 13.528 -13.549 -0.085 1.00 0.00 N ATOM 1090 CA ALA A 69 13.790 -12.770 -1.283 1.00 0.00 C ATOM 1091 C ALA A 69 14.829 -13.492 -2.148 1.00 0.00 C ATOM 1092 O ALA A 69 15.638 -14.270 -1.637 1.00 0.00 O ATOM 1093 CB ALA A 69 14.275 -11.374 -0.892 1.00 0.00 C ATOM 0 H ALA A 69 13.738 -13.061 0.786 1.00 0.00 H new ATOM 0 HA ALA A 69 12.873 -12.664 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.471 -10.791 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.509 -10.876 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.191 -11.458 -0.307 1.00 0.00 H new ATOM 1099 N PHE A 70 14.818 -13.240 -3.458 1.00 0.00 N ATOM 1100 CA PHE A 70 15.693 -13.956 -4.372 1.00 0.00 C ATOM 1101 C PHE A 70 17.164 -13.691 -4.070 1.00 0.00 C ATOM 1102 O PHE A 70 18.001 -14.572 -4.266 1.00 0.00 O ATOM 1103 CB PHE A 70 15.377 -13.540 -5.806 1.00 0.00 C ATOM 1104 CG PHE A 70 16.257 -14.244 -6.813 1.00 0.00 C ATOM 1105 CD1 PHE A 70 16.108 -15.622 -7.027 1.00 0.00 C ATOM 1106 CD2 PHE A 70 17.229 -13.526 -7.523 1.00 0.00 C ATOM 1107 CE1 PHE A 70 16.934 -16.283 -7.944 1.00 0.00 C ATOM 1108 CE2 PHE A 70 18.056 -14.187 -8.443 1.00 0.00 C ATOM 1109 CZ PHE A 70 17.912 -15.566 -8.648 1.00 0.00 C ATOM 0 H PHE A 70 14.214 -12.548 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 70 15.516 -15.024 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.332 -13.759 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.504 -12.462 -5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.355 -16.174 -6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.341 -12.464 -7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.818 -17.344 -8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.803 -13.634 -8.993 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.555 -16.077 -9.349 1.00 0.00 H new ATOM 1119 N TYR A 71 17.497 -12.489 -3.589 1.00 0.00 N ATOM 1120 CA TYR A 71 18.877 -12.134 -3.313 1.00 0.00 C ATOM 1121 C TYR A 71 19.416 -12.927 -2.128 1.00 0.00 C ATOM 1122 O TYR A 71 20.616 -13.192 -2.056 1.00 0.00 O ATOM 1123 CB TYR A 71 18.949 -10.636 -3.020 1.00 0.00 C ATOM 1124 CG TYR A 71 20.358 -10.125 -2.828 1.00 0.00 C ATOM 1125 CD1 TYR A 71 21.089 -9.684 -3.940 1.00 0.00 C ATOM 1126 CD2 TYR A 71 20.935 -10.089 -1.549 1.00 0.00 C ATOM 1127 CE1 TYR A 71 22.375 -9.155 -3.781 1.00 0.00 C ATOM 1128 CE2 TYR A 71 22.219 -9.554 -1.378 1.00 0.00 C ATOM 1129 CZ TYR A 71 22.936 -9.064 -2.487 1.00 0.00 C ATOM 1130 OH TYR A 71 24.167 -8.516 -2.294 1.00 0.00 O ATOM 0 H TYR A 71 16.823 -11.751 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 71 19.490 -12.374 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.482 -10.091 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 71 18.368 -10.421 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 71 20.656 -9.753 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 71 20.391 -10.473 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 71 22.935 -8.819 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 71 22.660 -9.517 -0.393 1.00 0.00 H new ATOM 0 HH TYR A 71 24.389 -8.537 -1.340 1.00 0.00 H new ATOM 1140 N THR A 72 18.541 -13.313 -1.193 1.00 0.00 N ATOM 1141 CA THR A 72 18.960 -14.058 -0.017 1.00 0.00 C ATOM 1142 C THR A 72 19.433 -15.444 -0.436 1.00 0.00 C ATOM 1143 O THR A 72 20.360 -15.994 0.153 1.00 0.00 O ATOM 1144 CB THR A 72 17.786 -14.177 0.954 1.00 0.00 C ATOM 1145 OG1 THR A 72 17.194 -12.916 1.160 1.00 0.00 O ATOM 1146 CG2 THR A 72 18.247 -14.729 2.301 1.00 0.00 C ATOM 0 H THR A 72 17.541 -13.118 -1.234 1.00 0.00 H new ATOM 0 HA THR A 72 19.780 -13.536 0.476 1.00 0.00 H new ATOM 0 HB THR A 72 17.060 -14.861 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.282 -13.034 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.393 -14.804 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.685 -15.717 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.992 -14.060 2.733 1.00 0.00 H new ATOM 1154 N TRP A 73 18.787 -16.003 -1.462 1.00 0.00 N ATOM 1155 CA TRP A 73 19.124 -17.306 -2.005 1.00 0.00 C ATOM 1156 C TRP A 73 20.290 -17.212 -2.990 1.00 0.00 C ATOM 1157 O TRP A 73 21.085 -18.145 -3.100 1.00 0.00 O ATOM 1158 CB TRP A 73 17.862 -17.859 -2.662 1.00 0.00 C ATOM 1159 CG TRP A 73 17.975 -19.217 -3.276 1.00 0.00 C ATOM 1160 CD1 TRP A 73 17.968 -20.388 -2.601 1.00 0.00 C ATOM 1161 CD2 TRP A 73 18.105 -19.573 -4.685 1.00 0.00 C ATOM 1162 NE1 TRP A 73 18.051 -21.439 -3.492 1.00 0.00 N ATOM 1163 CE2 TRP A 73 18.138 -20.991 -4.795 1.00 0.00 C ATOM 1164 CE3 TRP A 73 18.196 -18.837 -5.880 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.242 -21.646 -6.030 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 18.314 -19.481 -7.122 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.335 -20.880 -7.198 1.00 0.00 C ATOM 0 H TRP A 73 18.007 -15.552 -1.940 1.00 0.00 H new ATOM 0 HA TRP A 73 19.458 -17.979 -1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 73 17.071 -17.887 -1.913 1.00 0.00 H new ATOM 0 HB3 TRP A 73 17.544 -17.159 -3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 73 17.907 -20.486 -1.527 1.00 0.00 H new ATOM 0 HE1 TRP A 73 18.048 -22.423 -3.222 1.00 0.00 H new ATOM 0 HE3 TRP A 73 18.175 -17.758 -5.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 18.250 -22.725 -6.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.389 -18.894 -8.025 1.00 0.00 H new ATOM 0 HH2 TRP A 73 18.423 -21.367 -8.158 1.00 0.00 H new ATOM 1178 N LEU A 74 20.408 -16.088 -3.706 1.00 0.00 N ATOM 1179 CA LEU A 74 21.479 -15.886 -4.671 1.00 0.00 C ATOM 1180 C LEU A 74 22.802 -15.697 -3.926 1.00 0.00 C ATOM 1181 O LEU A 74 23.844 -16.189 -4.353 1.00 0.00 O ATOM 1182 CB LEU A 74 21.154 -14.649 -5.518 1.00 0.00 C ATOM 1183 CG LEU A 74 21.650 -14.741 -6.968 1.00 0.00 C ATOM 1184 CD1 LEU A 74 21.467 -13.385 -7.646 1.00 0.00 C ATOM 1185 CD2 LEU A 74 23.119 -15.141 -7.077 1.00 0.00 C ATOM 0 H LEU A 74 19.764 -15.301 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 74 21.570 -16.753 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 74 20.075 -14.497 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 74 21.598 -13.772 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 74 21.061 -15.519 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 74 21.817 -13.443 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.412 -13.113 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.041 -12.630 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.406 -15.188 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 74 23.736 -14.403 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.265 -16.118 -6.617 1.00 0.00 H new ATOM 1197 N TYR A 75 22.758 -14.978 -2.801 1.00 0.00 N ATOM 1198 CA TYR A 75 23.929 -14.724 -1.983 1.00 0.00 C ATOM 1199 C TYR A 75 24.415 -16.033 -1.370 1.00 0.00 C ATOM 1200 O TYR A 75 25.620 -16.266 -1.288 1.00 0.00 O ATOM 1201 CB TYR A 75 23.525 -13.713 -0.901 1.00 0.00 C ATOM 1202 CG TYR A 75 24.653 -13.145 -0.064 1.00 0.00 C ATOM 1203 CD1 TYR A 75 25.441 -13.980 0.744 1.00 0.00 C ATOM 1204 CD2 TYR A 75 24.894 -11.763 -0.087 1.00 0.00 C ATOM 1205 CE1 TYR A 75 26.479 -13.439 1.516 1.00 0.00 C ATOM 1206 CE2 TYR A 75 25.922 -11.212 0.690 1.00 0.00 C ATOM 1207 CZ TYR A 75 26.723 -12.048 1.494 1.00 0.00 C ATOM 1208 OH TYR A 75 27.729 -11.520 2.246 1.00 0.00 O ATOM 0 H TYR A 75 21.903 -14.558 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 75 24.748 -14.316 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 75 23.005 -12.885 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 75 22.810 -14.193 -0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.247 -15.042 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 75 24.285 -11.121 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 75 27.091 -14.085 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.100 -10.147 0.673 1.00 0.00 H new ATOM 0 HH TYR A 75 27.761 -10.549 2.114 1.00 0.00 H new ATOM 1218 N ARG A 76 23.478 -16.883 -0.943 1.00 0.00 N ATOM 1219 CA ARG A 76 23.787 -18.136 -0.265 1.00 0.00 C ATOM 1220 C ARG A 76 24.431 -19.141 -1.215 1.00 0.00 C ATOM 1221 O ARG A 76 25.254 -19.945 -0.782 1.00 0.00 O ATOM 1222 CB ARG A 76 22.489 -18.672 0.342 1.00 0.00 C ATOM 1223 CG ARG A 76 22.691 -19.871 1.271 1.00 0.00 C ATOM 1224 CD ARG A 76 23.695 -19.601 2.396 1.00 0.00 C ATOM 1225 NE ARG A 76 23.445 -18.330 3.093 1.00 0.00 N ATOM 1226 CZ ARG A 76 22.405 -18.076 3.896 1.00 0.00 C ATOM 1227 NH1 ARG A 76 21.464 -18.984 4.131 1.00 0.00 N ATOM 1228 NH2 ARG A 76 22.299 -16.885 4.478 1.00 0.00 N ATOM 0 H ARG A 76 22.479 -16.717 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 76 24.517 -17.965 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 76 22.001 -17.871 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 76 21.813 -18.958 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 76 21.732 -20.149 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 76 23.033 -20.723 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 76 23.655 -20.418 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 76 24.703 -19.590 1.982 1.00 0.00 H new ATOM 0 HE ARG A 76 24.121 -17.579 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 76 21.523 -19.904 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.683 -18.761 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 76 23.008 -16.171 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.509 -16.685 5.091 1.00 0.00 H new ATOM 1242 N ILE A 77 24.071 -19.107 -2.503 1.00 0.00 N ATOM 1243 CA ILE A 77 24.690 -19.984 -3.491 1.00 0.00 C ATOM 1244 C ILE A 77 26.077 -19.467 -3.854 1.00 0.00 C ATOM 1245 O ILE A 77 26.982 -20.265 -4.076 1.00 0.00 O ATOM 1246 CB ILE A 77 23.800 -20.079 -4.741 1.00 0.00 C ATOM 1247 CG1 ILE A 77 22.561 -20.913 -4.402 1.00 0.00 C ATOM 1248 CG2 ILE A 77 24.565 -20.725 -5.905 1.00 0.00 C ATOM 1249 CD1 ILE A 77 21.619 -21.063 -5.597 1.00 0.00 C ATOM 0 H ILE A 77 23.357 -18.483 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 77 24.796 -20.982 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 77 23.502 -19.076 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.872 -21.900 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 77 22.025 -20.445 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 77 23.917 -20.782 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.442 -20.123 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.880 -21.729 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.756 -21.662 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 77 21.284 -20.078 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.144 -21.556 -6.415 1.00 0.00 H new ATOM 1261 N ALA A 78 26.261 -18.147 -3.911 1.00 0.00 N ATOM 1262 CA ALA A 78 27.529 -17.582 -4.336 1.00 0.00 C ATOM 1263 C ALA A 78 28.642 -17.859 -3.326 1.00 0.00 C ATOM 1264 O ALA A 78 29.769 -18.149 -3.721 1.00 0.00 O ATOM 1265 CB ALA A 78 27.342 -16.084 -4.539 1.00 0.00 C ATOM 0 H ALA A 78 25.549 -17.458 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 78 27.834 -18.053 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 78 28.285 -15.640 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 78 26.582 -15.912 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 78 27.025 -15.627 -3.602 1.00 0.00 H new ATOM 1271 N VAL A 79 28.341 -17.778 -2.029 1.00 0.00 N ATOM 1272 CA VAL A 79 29.341 -18.045 -1.005 1.00 0.00 C ATOM 1273 C VAL A 79 29.620 -19.541 -0.910 1.00 0.00 C ATOM 1274 O VAL A 79 30.744 -19.945 -0.618 1.00 0.00 O ATOM 1275 CB VAL A 79 28.891 -17.461 0.340 1.00 0.00 C ATOM 1276 CG1 VAL A 79 27.540 -18.016 0.793 1.00 0.00 C ATOM 1277 CG2 VAL A 79 29.913 -17.782 1.425 1.00 0.00 C ATOM 0 H VAL A 79 27.419 -17.531 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 79 30.275 -17.556 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 79 28.801 -16.385 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 79 27.266 -17.571 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 79 26.780 -17.775 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 79 27.609 -19.098 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 79 29.580 -17.361 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 79 30.013 -18.863 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 79 30.877 -17.351 1.155 1.00 0.00 H new ATOM 1287 N ASN A 80 28.603 -20.369 -1.158 1.00 0.00 N ATOM 1288 CA ASN A 80 28.762 -21.811 -1.092 1.00 0.00 C ATOM 1289 C ASN A 80 29.341 -22.376 -2.387 1.00 0.00 C ATOM 1290 O ASN A 80 29.835 -23.500 -2.386 1.00 0.00 O ATOM 1291 CB ASN A 80 27.415 -22.440 -0.734 1.00 0.00 C ATOM 1292 CG ASN A 80 27.041 -22.203 0.726 1.00 0.00 C ATOM 1293 OD1 ASN A 80 27.806 -21.629 1.496 1.00 0.00 O ATOM 1294 ND2 ASN A 80 25.852 -22.648 1.116 1.00 0.00 N ATOM 0 H ASN A 80 27.663 -20.059 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 80 29.483 -22.061 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 80 26.639 -22.026 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 80 27.453 -23.512 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 80 25.550 -22.517 2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 80 25.241 -23.121 0.450 1.00 0.00 H new ATOM 1301 N THR A 81 29.296 -21.627 -3.494 1.00 0.00 N ATOM 1302 CA THR A 81 29.898 -22.076 -4.742 1.00 0.00 C ATOM 1303 C THR A 81 31.394 -21.786 -4.727 1.00 0.00 C ATOM 1304 O THR A 81 32.188 -22.598 -5.203 1.00 0.00 O ATOM 1305 CB THR A 81 29.226 -21.392 -5.937 1.00 0.00 C ATOM 1306 OG1 THR A 81 27.885 -21.813 -6.023 1.00 0.00 O ATOM 1307 CG2 THR A 81 29.922 -21.744 -7.247 1.00 0.00 C ATOM 0 H THR A 81 28.849 -20.711 -3.546 1.00 0.00 H new ATOM 0 HA THR A 81 29.750 -23.151 -4.841 1.00 0.00 H new ATOM 0 HB THR A 81 29.289 -20.315 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 81 27.353 -21.351 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 81 29.419 -21.241 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 81 30.962 -21.420 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 81 29.884 -22.822 -7.401 1.00 0.00 H new ATOM 1315 N ALA A 82 31.791 -20.636 -4.179 1.00 0.00 N ATOM 1316 CA ALA A 82 33.197 -20.283 -4.085 1.00 0.00 C ATOM 1317 C ALA A 82 33.897 -21.119 -3.015 1.00 0.00 C ATOM 1318 O ALA A 82 35.097 -21.367 -3.112 1.00 0.00 O ATOM 1319 CB ALA A 82 33.296 -18.791 -3.777 1.00 0.00 C ATOM 0 H ALA A 82 31.154 -19.938 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 82 33.699 -20.494 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 82 34.345 -18.504 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 82 32.820 -18.222 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 82 32.794 -18.580 -2.833 1.00 0.00 H new ATOM 1325 N LYS A 83 33.160 -21.557 -1.990 1.00 0.00 N ATOM 1326 CA LYS A 83 33.734 -22.368 -0.923 1.00 0.00 C ATOM 1327 C LYS A 83 33.792 -23.839 -1.329 1.00 0.00 C ATOM 1328 O LYS A 83 34.694 -24.561 -0.905 1.00 0.00 O ATOM 1329 CB LYS A 83 32.910 -22.157 0.349 1.00 0.00 C ATOM 1330 CG LYS A 83 33.648 -22.714 1.569 1.00 0.00 C ATOM 1331 CD LYS A 83 32.810 -22.547 2.839 1.00 0.00 C ATOM 1332 CE LYS A 83 32.458 -21.083 3.116 1.00 0.00 C ATOM 1333 NZ LYS A 83 33.664 -20.266 3.350 1.00 0.00 N ATOM 0 H LYS A 83 32.165 -21.361 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 83 34.762 -22.059 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 83 32.715 -21.094 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 83 31.942 -22.648 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 83 33.872 -23.769 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 83 34.602 -22.200 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 83 31.892 -23.127 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 83 33.358 -22.953 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 83 31.902 -20.677 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 83 31.804 -21.024 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 33.383 -19.306 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 34.234 -20.697 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 34.226 -20.218 2.476 1.00 0.00 H new ATOM 1347 N ASN A 84 32.840 -24.294 -2.154 1.00 0.00 N ATOM 1348 CA ASN A 84 32.844 -25.659 -2.651 1.00 0.00 C ATOM 1349 C ASN A 84 33.925 -25.817 -3.726 1.00 0.00 C ATOM 1350 O ASN A 84 34.356 -26.929 -4.027 1.00 0.00 O ATOM 1351 CB ASN A 84 31.441 -25.999 -3.171 1.00 0.00 C ATOM 1352 CG ASN A 84 31.232 -27.485 -3.434 1.00 0.00 C ATOM 1353 OD1 ASN A 84 32.106 -28.311 -3.186 1.00 0.00 O ATOM 1354 ND2 ASN A 84 30.057 -27.840 -3.944 1.00 0.00 N ATOM 0 H ASN A 84 32.059 -23.728 -2.487 1.00 0.00 H new ATOM 0 HA ASN A 84 33.086 -26.362 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 84 30.702 -25.659 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 84 31.260 -25.446 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 84 29.862 -28.822 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 84 29.351 -27.131 -4.139 1.00 0.00 H new ATOM 1361 N TYR A 85 34.373 -24.700 -4.308 1.00 0.00 N ATOM 1362 CA TYR A 85 35.467 -24.701 -5.272 1.00 0.00 C ATOM 1363 C TYR A 85 36.806 -24.932 -4.572 1.00 0.00 C ATOM 1364 O TYR A 85 37.699 -25.556 -5.139 1.00 0.00 O ATOM 1365 CB TYR A 85 35.450 -23.360 -6.010 1.00 0.00 C ATOM 1366 CG TYR A 85 36.683 -23.104 -6.846 1.00 0.00 C ATOM 1367 CD1 TYR A 85 36.860 -23.767 -8.067 1.00 0.00 C ATOM 1368 CD2 TYR A 85 37.654 -22.197 -6.391 1.00 0.00 C ATOM 1369 CE1 TYR A 85 38.000 -23.515 -8.845 1.00 0.00 C ATOM 1370 CE2 TYR A 85 38.793 -21.935 -7.164 1.00 0.00 C ATOM 1371 CZ TYR A 85 38.968 -22.592 -8.399 1.00 0.00 C ATOM 1372 OH TYR A 85 40.065 -22.333 -9.162 1.00 0.00 O ATOM 0 H TYR A 85 33.986 -23.775 -4.122 1.00 0.00 H new ATOM 0 HA TYR A 85 35.338 -25.514 -5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 85 34.572 -23.323 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 85 35.344 -22.557 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 85 36.118 -24.473 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 85 37.522 -21.699 -5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 85 38.136 -24.028 -9.786 1.00 0.00 H new ATOM 0 HE2 TYR A 85 39.535 -21.232 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 85 39.839 -22.447 -10.109 1.00 0.00 H new ATOM 1382 N LEU A 86 36.958 -24.438 -3.339 1.00 0.00 N ATOM 1383 CA LEU A 86 38.204 -24.607 -2.603 1.00 0.00 C ATOM 1384 C LEU A 86 38.399 -26.054 -2.152 1.00 0.00 C ATOM 1385 O LEU A 86 39.538 -26.489 -1.984 1.00 0.00 O ATOM 1386 CB LEU A 86 38.222 -23.667 -1.396 1.00 0.00 C ATOM 1387 CG LEU A 86 38.208 -22.192 -1.808 1.00 0.00 C ATOM 1388 CD1 LEU A 86 38.194 -21.336 -0.545 1.00 0.00 C ATOM 1389 CD2 LEU A 86 39.440 -21.828 -2.638 1.00 0.00 C ATOM 0 H LEU A 86 36.236 -23.922 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 86 39.029 -24.357 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 37.358 -23.874 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 86 39.110 -23.866 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 86 37.322 -22.012 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 86 38.184 -20.281 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 86 37.304 -21.567 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 86 39.084 -21.548 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 86 39.396 -20.774 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 86 40.341 -22.013 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 86 39.463 -22.437 -3.542 1.00 0.00 H new ATOM 1401 N VAL A 87 37.312 -26.807 -1.959 1.00 0.00 N ATOM 1402 CA VAL A 87 37.421 -28.217 -1.601 1.00 0.00 C ATOM 1403 C VAL A 87 37.402 -29.105 -2.841 1.00 0.00 C ATOM 1404 O VAL A 87 37.762 -30.275 -2.759 1.00 0.00 O ATOM 1405 CB VAL A 87 36.330 -28.624 -0.608 1.00 0.00 C ATOM 1406 CG1 VAL A 87 36.479 -27.834 0.692 1.00 0.00 C ATOM 1407 CG2 VAL A 87 34.935 -28.393 -1.180 1.00 0.00 C ATOM 0 H VAL A 87 36.355 -26.464 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 87 38.383 -28.359 -1.109 1.00 0.00 H new ATOM 0 HB VAL A 87 36.449 -29.689 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 87 35.697 -28.132 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 87 37.455 -28.038 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 87 36.391 -26.768 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 87 34.187 -28.694 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 87 34.809 -27.336 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 87 34.811 -28.984 -2.087 1.00 0.00 H new