USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.965 (180deg=0.0963) USER MOD Single : A 13 MET CE :methyl 169:sc= -1.8 (180deg=-2.03) USER MOD Single : A 14 THR OG1 : rot -28:sc= 0.772 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 20 HIS : no HD1:sc= -1.05 K(o=-1,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 2.51 (180deg=1.44) USER MOD Single : A 24 SER OG : rot -160:sc= 0.00917 USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 27 THR OG1 : rot -79:sc= 1.02 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 1.27 (180deg=0.842) USER MOD Single : A 29 HIS : no HE2:sc= 0.102 K(o=0.1,f=-5.1!) USER MOD Single : A 34 TYR OH : rot -63:sc= 1.27 USER MOD Single : A 35 CYS SG : rot 33:sc= -0.414 USER MOD Single : A 36 SER OG : rot 41:sc= 1.28 USER MOD Single : A 41 THR OG1 : rot -24:sc= 0.718 USER MOD Single : A 42 ASN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= 0.964 (180deg=-2.12!) USER MOD Single : A 45 HIS : no HE2:sc= -1.37 X(o=-1.4,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 64 SER OG : rot 73:sc= 1.18 USER MOD Single : A 70 SER OG : rot 1:sc= 1.59 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.893 -11.798 -6.464 1.00 4.90 N ATOM 2 CA MET A 1 -13.401 -11.731 -7.849 1.00 3.81 C ATOM 3 C MET A 1 -11.872 -11.675 -7.920 1.00 3.71 C ATOM 4 O MET A 1 -11.292 -12.312 -8.793 1.00 4.77 O ATOM 5 CB MET A 1 -14.009 -10.540 -8.607 1.00 3.78 C ATOM 6 CG MET A 1 -15.538 -10.466 -8.499 1.00 4.40 C ATOM 7 SD MET A 1 -16.406 -12.032 -8.762 1.00 5.25 S ATOM 8 CE MET A 1 -18.115 -11.496 -8.545 1.00 6.17 C ATOM 0 H1 MET A 1 -14.916 -11.987 -6.468 1.00 4.90 H new ATOM 0 H2 MET A 1 -13.401 -12.562 -5.957 1.00 4.90 H new ATOM 0 H3 MET A 1 -13.710 -10.892 -5.986 1.00 4.90 H new ATOM 0 HA MET A 1 -13.724 -12.653 -8.333 1.00 3.81 H new ATOM 0 HB2 MET A 1 -13.580 -9.616 -8.221 1.00 3.78 H new ATOM 0 HB3 MET A 1 -13.729 -10.607 -9.658 1.00 3.78 H new ATOM 0 HG2 MET A 1 -15.798 -10.086 -7.511 1.00 4.40 H new ATOM 0 HG3 MET A 1 -15.903 -9.740 -9.226 1.00 4.40 H new ATOM 0 HE1 MET A 1 -18.783 -12.348 -8.676 1.00 6.17 H new ATOM 0 HE2 MET A 1 -18.243 -11.085 -7.544 1.00 6.17 H new ATOM 0 HE3 MET A 1 -18.353 -10.731 -9.284 1.00 6.17 H new ATOM 20 N GLY A 2 -11.225 -10.921 -7.028 1.00 3.51 N ATOM 21 CA GLY A 2 -9.784 -10.733 -7.059 1.00 4.11 C ATOM 22 C GLY A 2 -9.376 -9.835 -8.225 1.00 3.10 C ATOM 23 O GLY A 2 -8.699 -10.270 -9.155 1.00 4.06 O ATOM 0 H GLY A 2 -11.691 -10.427 -6.267 1.00 3.51 H new ATOM 0 HA2 GLY A 2 -9.451 -10.291 -6.120 1.00 4.11 H new ATOM 0 HA3 GLY A 2 -9.289 -11.700 -7.149 1.00 4.11 H new ATOM 27 N ASP A 3 -9.833 -8.579 -8.180 1.00 2.12 N ATOM 28 CA ASP A 3 -9.517 -7.519 -9.126 1.00 1.67 C ATOM 29 C ASP A 3 -9.836 -6.193 -8.426 1.00 1.63 C ATOM 30 O ASP A 3 -10.446 -6.203 -7.354 1.00 2.08 O ATOM 31 CB ASP A 3 -10.333 -7.697 -10.421 1.00 2.27 C ATOM 32 CG ASP A 3 -10.037 -6.639 -11.480 1.00 2.51 C ATOM 33 OD1 ASP A 3 -8.934 -6.047 -11.419 1.00 2.79 O ATOM 34 OD2 ASP A 3 -10.934 -6.414 -12.318 1.00 3.74 O ATOM 0 H ASP A 3 -10.465 -8.265 -7.443 1.00 2.12 H new ATOM 0 HA ASP A 3 -8.467 -7.542 -9.419 1.00 1.67 H new ATOM 0 HB2 ASP A 3 -10.127 -8.683 -10.837 1.00 2.27 H new ATOM 0 HB3 ASP A 3 -11.395 -7.669 -10.178 1.00 2.27 H new ATOM 39 N GLY A 4 -9.438 -5.070 -9.020 1.00 2.43 N ATOM 40 CA GLY A 4 -9.668 -3.729 -8.511 1.00 2.78 C ATOM 41 C GLY A 4 -8.396 -3.143 -7.899 1.00 2.17 C ATOM 42 O GLY A 4 -7.318 -3.730 -7.975 1.00 2.41 O ATOM 0 H GLY A 4 -8.927 -5.075 -9.903 1.00 2.43 H new ATOM 0 HA2 GLY A 4 -10.016 -3.085 -9.319 1.00 2.78 H new ATOM 0 HA3 GLY A 4 -10.458 -3.753 -7.760 1.00 2.78 H new ATOM 46 N VAL A 5 -8.519 -1.950 -7.312 1.00 1.65 N ATOM 47 CA VAL A 5 -7.429 -1.266 -6.641 1.00 1.31 C ATOM 48 C VAL A 5 -8.014 -0.304 -5.619 1.00 1.22 C ATOM 49 O VAL A 5 -9.095 0.239 -5.845 1.00 1.65 O ATOM 50 CB VAL A 5 -6.509 -0.577 -7.671 1.00 2.04 C ATOM 51 CG1 VAL A 5 -7.246 0.376 -8.619 1.00 2.04 C ATOM 52 CG2 VAL A 5 -5.371 0.203 -7.001 1.00 3.50 C ATOM 0 H VAL A 5 -9.396 -1.430 -7.294 1.00 1.65 H new ATOM 0 HA VAL A 5 -6.798 -1.976 -6.106 1.00 1.31 H new ATOM 0 HB VAL A 5 -6.105 -1.402 -8.257 1.00 2.04 H new ATOM 0 HG11 VAL A 5 -6.534 0.822 -9.313 1.00 2.04 H new ATOM 0 HG12 VAL A 5 -8.000 -0.178 -9.179 1.00 2.04 H new ATOM 0 HG13 VAL A 5 -7.730 1.163 -8.040 1.00 2.04 H new ATOM 0 HG21 VAL A 5 -4.751 0.670 -7.766 1.00 3.50 H new ATOM 0 HG22 VAL A 5 -5.790 0.973 -6.353 1.00 3.50 H new ATOM 0 HG23 VAL A 5 -4.763 -0.479 -6.407 1.00 3.50 H new ATOM 62 N LEU A 6 -7.297 -0.090 -4.512 1.00 0.87 N ATOM 63 CA LEU A 6 -7.553 1.007 -3.597 1.00 0.90 C ATOM 64 C LEU A 6 -6.252 1.783 -3.422 1.00 0.72 C ATOM 65 O LEU A 6 -5.166 1.247 -3.668 1.00 0.74 O ATOM 66 CB LEU A 6 -8.114 0.489 -2.261 1.00 1.04 C ATOM 67 CG LEU A 6 -9.561 0.959 -2.034 1.00 2.13 C ATOM 68 CD1 LEU A 6 -10.167 0.214 -0.841 1.00 2.40 C ATOM 69 CD2 LEU A 6 -9.637 2.468 -1.763 1.00 3.55 C ATOM 0 H LEU A 6 -6.517 -0.684 -4.230 1.00 0.87 H new ATOM 0 HA LEU A 6 -8.314 1.675 -4.000 1.00 0.90 H new ATOM 0 HB2 LEU A 6 -8.079 -0.600 -2.249 1.00 1.04 H new ATOM 0 HB3 LEU A 6 -7.485 0.838 -1.442 1.00 1.04 H new ATOM 0 HG LEU A 6 -10.120 0.744 -2.945 1.00 2.13 H new ATOM 0 HD11 LEU A 6 -11.192 0.550 -0.684 1.00 2.40 H new ATOM 0 HD12 LEU A 6 -10.163 -0.857 -1.041 1.00 2.40 H new ATOM 0 HD13 LEU A 6 -9.578 0.418 0.053 1.00 2.40 H new ATOM 0 HD21 LEU A 6 -10.676 2.758 -1.608 1.00 3.55 H new ATOM 0 HD22 LEU A 6 -9.057 2.707 -0.872 1.00 3.55 H new ATOM 0 HD23 LEU A 6 -9.232 3.012 -2.616 1.00 3.55 H new ATOM 81 N GLU A 7 -6.383 3.054 -3.032 1.00 0.69 N ATOM 82 CA GLU A 7 -5.284 3.985 -2.903 1.00 0.68 C ATOM 83 C GLU A 7 -5.297 4.608 -1.512 1.00 0.67 C ATOM 84 O GLU A 7 -6.361 4.950 -0.992 1.00 1.03 O ATOM 85 CB GLU A 7 -5.387 5.083 -3.962 1.00 0.85 C ATOM 86 CG GLU A 7 -5.239 4.584 -5.405 1.00 1.00 C ATOM 87 CD GLU A 7 -4.687 5.698 -6.280 1.00 1.52 C ATOM 88 OE1 GLU A 7 -5.229 6.825 -6.219 1.00 2.03 O ATOM 89 OE2 GLU A 7 -3.614 5.516 -6.898 1.00 2.93 O ATOM 0 H GLU A 7 -7.286 3.464 -2.793 1.00 0.69 H new ATOM 0 HA GLU A 7 -4.349 3.445 -3.049 1.00 0.68 H new ATOM 0 HB2 GLU A 7 -6.351 5.581 -3.859 1.00 0.85 H new ATOM 0 HB3 GLU A 7 -4.619 5.832 -3.768 1.00 0.85 H new ATOM 0 HG2 GLU A 7 -4.573 3.722 -5.435 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -6.205 4.254 -5.787 1.00 1.00 H new ATOM 96 N LEU A 8 -4.110 4.756 -0.926 1.00 0.61 N ATOM 97 CA LEU A 8 -3.913 5.327 0.397 1.00 0.75 C ATOM 98 C LEU A 8 -2.627 6.143 0.376 1.00 0.62 C ATOM 99 O LEU A 8 -1.655 5.780 -0.290 1.00 0.59 O ATOM 100 CB LEU A 8 -3.884 4.251 1.502 1.00 0.88 C ATOM 101 CG LEU A 8 -3.335 2.884 1.060 1.00 0.80 C ATOM 102 CD1 LEU A 8 -2.549 2.241 2.203 1.00 1.09 C ATOM 103 CD2 LEU A 8 -4.489 1.941 0.676 1.00 1.46 C ATOM 0 H LEU A 8 -3.238 4.473 -1.374 1.00 0.61 H new ATOM 0 HA LEU A 8 -4.759 5.971 0.638 1.00 0.75 H new ATOM 0 HB2 LEU A 8 -3.279 4.618 2.331 1.00 0.88 H new ATOM 0 HB3 LEU A 8 -4.896 4.114 1.882 1.00 0.88 H new ATOM 0 HG LEU A 8 -2.685 3.042 0.199 1.00 0.80 H new ATOM 0 HD11 LEU A 8 -2.164 1.273 1.881 1.00 1.09 H new ATOM 0 HD12 LEU A 8 -1.717 2.888 2.482 1.00 1.09 H new ATOM 0 HD13 LEU A 8 -3.205 2.103 3.063 1.00 1.09 H new ATOM 0 HD21 LEU A 8 -4.084 0.978 0.366 1.00 1.46 H new ATOM 0 HD22 LEU A 8 -5.144 1.799 1.535 1.00 1.46 H new ATOM 0 HD23 LEU A 8 -5.057 2.377 -0.145 1.00 1.46 H new ATOM 115 N VAL A 9 -2.630 7.262 1.097 1.00 0.58 N ATOM 116 CA VAL A 9 -1.466 8.112 1.246 1.00 0.54 C ATOM 117 C VAL A 9 -0.585 7.437 2.291 1.00 0.50 C ATOM 118 O VAL A 9 -1.060 7.139 3.385 1.00 0.68 O ATOM 119 CB VAL A 9 -1.883 9.541 1.627 1.00 0.70 C ATOM 120 CG1 VAL A 9 -0.659 10.463 1.681 1.00 1.00 C ATOM 121 CG2 VAL A 9 -2.846 10.112 0.576 1.00 1.08 C ATOM 0 H VAL A 9 -3.452 7.602 1.596 1.00 0.58 H new ATOM 0 HA VAL A 9 -0.909 8.223 0.315 1.00 0.54 H new ATOM 0 HB VAL A 9 -2.365 9.494 2.604 1.00 0.70 H new ATOM 0 HG11 VAL A 9 -0.974 11.471 1.952 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.045 10.090 2.425 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.176 10.485 0.704 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.134 11.125 0.858 1.00 1.08 H new ATOM 0 HG22 VAL A 9 -2.353 10.132 -0.396 1.00 1.08 H new ATOM 0 HG23 VAL A 9 -3.736 9.485 0.519 1.00 1.08 H new ATOM 131 N VAL A 10 0.663 7.134 1.940 1.00 0.52 N ATOM 132 CA VAL A 10 1.609 6.426 2.776 1.00 0.48 C ATOM 133 C VAL A 10 2.623 7.454 3.254 1.00 0.51 C ATOM 134 O VAL A 10 3.761 7.528 2.791 1.00 0.61 O ATOM 135 CB VAL A 10 2.199 5.246 1.992 1.00 0.49 C ATOM 136 CG1 VAL A 10 1.183 4.098 1.939 1.00 0.64 C ATOM 137 CG2 VAL A 10 2.609 5.612 0.566 1.00 0.72 C ATOM 0 H VAL A 10 1.050 7.387 1.031 1.00 0.52 H new ATOM 0 HA VAL A 10 1.156 5.974 3.659 1.00 0.48 H new ATOM 0 HB VAL A 10 3.102 4.944 2.522 1.00 0.49 H new ATOM 0 HG11 VAL A 10 1.607 3.263 1.381 1.00 0.64 H new ATOM 0 HG12 VAL A 10 0.946 3.775 2.953 1.00 0.64 H new ATOM 0 HG13 VAL A 10 0.273 4.440 1.445 1.00 0.64 H new ATOM 0 HG21 VAL A 10 3.018 4.733 0.068 1.00 0.72 H new ATOM 0 HG22 VAL A 10 1.737 5.968 0.017 1.00 0.72 H new ATOM 0 HG23 VAL A 10 3.365 6.397 0.595 1.00 0.72 H new ATOM 147 N ARG A 11 2.183 8.276 4.202 1.00 0.56 N ATOM 148 CA ARG A 11 2.958 9.430 4.612 1.00 0.61 C ATOM 149 C ARG A 11 4.099 8.922 5.491 1.00 0.52 C ATOM 150 O ARG A 11 3.908 8.061 6.354 1.00 0.63 O ATOM 151 CB ARG A 11 2.068 10.531 5.221 1.00 0.93 C ATOM 152 CG ARG A 11 1.204 10.102 6.416 1.00 1.17 C ATOM 153 CD ARG A 11 -0.070 10.954 6.551 1.00 1.53 C ATOM 154 NE ARG A 11 -1.044 10.281 7.427 1.00 2.76 N ATOM 155 CZ ARG A 11 -0.867 10.082 8.739 1.00 3.53 C ATOM 156 NH1 ARG A 11 0.035 10.792 9.418 1.00 3.84 N ATOM 157 NH2 ARG A 11 -1.555 9.121 9.348 1.00 5.02 N ATOM 0 H ARG A 11 1.298 8.161 4.695 1.00 0.56 H new ATOM 0 HA ARG A 11 3.409 9.942 3.762 1.00 0.61 H new ATOM 0 HB2 ARG A 11 2.707 11.357 5.535 1.00 0.93 H new ATOM 0 HB3 ARG A 11 1.411 10.915 4.440 1.00 0.93 H new ATOM 0 HG2 ARG A 11 0.927 9.054 6.304 1.00 1.17 H new ATOM 0 HG3 ARG A 11 1.790 10.181 7.332 1.00 1.17 H new ATOM 0 HD2 ARG A 11 0.181 11.933 6.959 1.00 1.53 H new ATOM 0 HD3 ARG A 11 -0.510 11.121 5.568 1.00 1.53 H new ATOM 0 HE ARG A 11 -1.910 9.944 7.007 1.00 2.76 H new ATOM 0 HH11 ARG A 11 0.598 11.494 8.938 1.00 3.84 H new ATOM 0 HH12 ARG A 11 0.162 10.633 10.417 1.00 3.84 H new ATOM 0 HH21 ARG A 11 -2.208 8.546 8.816 1.00 5.02 H new ATOM 0 HH22 ARG A 11 -1.430 8.959 10.347 1.00 5.02 H new ATOM 171 N GLY A 12 5.312 9.364 5.150 1.00 0.56 N ATOM 172 CA GLY A 12 6.553 8.787 5.629 1.00 0.66 C ATOM 173 C GLY A 12 7.533 8.592 4.471 1.00 0.66 C ATOM 174 O GLY A 12 8.694 8.973 4.595 1.00 0.79 O ATOM 0 H GLY A 12 5.453 10.152 4.518 1.00 0.56 H new ATOM 0 HA2 GLY A 12 6.996 9.437 6.383 1.00 0.66 H new ATOM 0 HA3 GLY A 12 6.354 7.830 6.111 1.00 0.66 H new ATOM 178 N MET A 13 7.100 7.995 3.350 1.00 0.68 N ATOM 179 CA MET A 13 8.045 7.684 2.283 1.00 0.74 C ATOM 180 C MET A 13 8.472 8.947 1.534 1.00 0.84 C ATOM 181 O MET A 13 7.651 9.846 1.336 1.00 1.08 O ATOM 182 CB MET A 13 7.475 6.625 1.334 1.00 1.04 C ATOM 183 CG MET A 13 6.346 7.109 0.438 1.00 1.20 C ATOM 184 SD MET A 13 5.906 5.898 -0.822 1.00 1.30 S ATOM 185 CE MET A 13 4.869 6.994 -1.781 1.00 1.47 C ATOM 0 H MET A 13 6.133 7.728 3.167 1.00 0.68 H new ATOM 0 HA MET A 13 8.941 7.263 2.740 1.00 0.74 H new ATOM 0 HB2 MET A 13 8.282 6.249 0.705 1.00 1.04 H new ATOM 0 HB3 MET A 13 7.114 5.784 1.926 1.00 1.04 H new ATOM 0 HG2 MET A 13 5.470 7.330 1.048 1.00 1.20 H new ATOM 0 HG3 MET A 13 6.642 8.041 -0.044 1.00 1.20 H new ATOM 0 HE1 MET A 13 4.627 6.525 -2.735 1.00 1.47 H new ATOM 0 HE2 MET A 13 3.949 7.197 -1.233 1.00 1.47 H new ATOM 0 HE3 MET A 13 5.398 7.930 -1.961 1.00 1.47 H new ATOM 195 N THR A 14 9.737 9.002 1.093 1.00 0.92 N ATOM 196 CA THR A 14 10.276 10.172 0.406 1.00 1.15 C ATOM 197 C THR A 14 11.349 9.861 -0.652 1.00 1.01 C ATOM 198 O THR A 14 11.811 10.804 -1.297 1.00 1.15 O ATOM 199 CB THR A 14 10.767 11.197 1.445 1.00 1.53 C ATOM 200 OG1 THR A 14 11.118 12.411 0.813 1.00 2.33 O ATOM 201 CG2 THR A 14 11.960 10.684 2.258 1.00 1.83 C ATOM 0 H THR A 14 10.406 8.240 1.204 1.00 0.92 H new ATOM 0 HA THR A 14 9.457 10.599 -0.173 1.00 1.15 H new ATOM 0 HB THR A 14 9.940 11.362 2.136 1.00 1.53 H new ATOM 0 HG1 THR A 14 11.412 12.229 -0.104 1.00 2.33 H new ATOM 0 HG21 THR A 14 12.266 11.446 2.975 1.00 1.83 H new ATOM 0 HG22 THR A 14 11.674 9.777 2.791 1.00 1.83 H new ATOM 0 HG23 THR A 14 12.790 10.464 1.587 1.00 1.83 H new ATOM 209 N CYS A 15 11.749 8.601 -0.866 1.00 0.91 N ATOM 210 CA CYS A 15 12.743 8.252 -1.876 1.00 0.91 C ATOM 211 C CYS A 15 12.629 6.771 -2.238 1.00 0.74 C ATOM 212 O CYS A 15 11.929 6.017 -1.562 1.00 0.60 O ATOM 213 CB CYS A 15 14.156 8.626 -1.396 1.00 1.04 C ATOM 214 SG CYS A 15 14.538 8.301 0.346 1.00 1.25 S ATOM 0 H CYS A 15 11.391 7.801 -0.344 1.00 0.91 H new ATOM 0 HA CYS A 15 12.551 8.827 -2.782 1.00 0.91 H new ATOM 0 HB2 CYS A 15 14.877 8.086 -2.009 1.00 1.04 H new ATOM 0 HB3 CYS A 15 14.309 9.688 -1.585 1.00 1.04 H new ATOM 219 N ALA A 16 13.313 6.365 -3.316 1.00 0.82 N ATOM 220 CA ALA A 16 13.295 5.014 -3.874 1.00 0.82 C ATOM 221 C ALA A 16 13.446 3.939 -2.795 1.00 0.67 C ATOM 222 O ALA A 16 12.742 2.928 -2.810 1.00 0.67 O ATOM 223 CB ALA A 16 14.403 4.881 -4.921 1.00 1.00 C ATOM 0 H ALA A 16 13.917 6.997 -3.841 1.00 0.82 H new ATOM 0 HA ALA A 16 12.323 4.857 -4.342 1.00 0.82 H new ATOM 0 HB1 ALA A 16 14.391 3.874 -5.338 1.00 1.00 H new ATOM 0 HB2 ALA A 16 14.239 5.606 -5.718 1.00 1.00 H new ATOM 0 HB3 ALA A 16 15.370 5.068 -4.454 1.00 1.00 H new ATOM 229 N SER A 17 14.360 4.178 -1.850 1.00 0.63 N ATOM 230 CA SER A 17 14.546 3.372 -0.660 1.00 0.59 C ATOM 231 C SER A 17 13.206 3.001 -0.022 1.00 0.52 C ATOM 232 O SER A 17 12.932 1.838 0.262 1.00 0.65 O ATOM 233 CB SER A 17 15.434 4.164 0.304 1.00 0.69 C ATOM 234 OG SER A 17 16.549 4.657 -0.416 1.00 1.66 O ATOM 0 H SER A 17 15.007 4.965 -1.902 1.00 0.63 H new ATOM 0 HA SER A 17 15.028 2.428 -0.916 1.00 0.59 H new ATOM 0 HB2 SER A 17 14.873 4.988 0.745 1.00 0.69 H new ATOM 0 HB3 SER A 17 15.764 3.527 1.125 1.00 0.69 H new ATOM 0 HG SER A 17 17.128 5.169 0.187 1.00 1.66 H new ATOM 240 N CYS A 18 12.360 4.003 0.203 1.00 0.43 N ATOM 241 CA CYS A 18 11.054 3.813 0.791 1.00 0.43 C ATOM 242 C CYS A 18 10.093 3.116 -0.172 1.00 0.41 C ATOM 243 O CYS A 18 9.325 2.252 0.249 1.00 0.56 O ATOM 244 CB CYS A 18 10.508 5.167 1.222 1.00 0.56 C ATOM 245 SG CYS A 18 11.566 6.094 2.356 1.00 0.79 S ATOM 0 H CYS A 18 12.572 4.975 -0.023 1.00 0.43 H new ATOM 0 HA CYS A 18 11.150 3.162 1.660 1.00 0.43 H new ATOM 0 HB2 CYS A 18 10.337 5.773 0.332 1.00 0.56 H new ATOM 0 HB3 CYS A 18 9.538 5.016 1.696 1.00 0.56 H new ATOM 250 N VAL A 19 10.122 3.503 -1.454 1.00 0.39 N ATOM 251 CA VAL A 19 9.238 2.965 -2.477 1.00 0.44 C ATOM 252 C VAL A 19 9.305 1.455 -2.414 1.00 0.52 C ATOM 253 O VAL A 19 8.300 0.782 -2.183 1.00 0.55 O ATOM 254 CB VAL A 19 9.636 3.461 -3.883 1.00 0.64 C ATOM 255 CG1 VAL A 19 8.829 2.823 -5.023 1.00 0.82 C ATOM 256 CG2 VAL A 19 9.505 4.973 -3.964 1.00 0.73 C ATOM 0 H VAL A 19 10.770 4.207 -1.806 1.00 0.39 H new ATOM 0 HA VAL A 19 8.220 3.308 -2.291 1.00 0.44 H new ATOM 0 HB VAL A 19 10.673 3.154 -4.021 1.00 0.64 H new ATOM 0 HG11 VAL A 19 9.169 3.224 -5.978 1.00 0.82 H new ATOM 0 HG12 VAL A 19 8.974 1.743 -5.011 1.00 0.82 H new ATOM 0 HG13 VAL A 19 7.771 3.049 -4.891 1.00 0.82 H new ATOM 0 HG21 VAL A 19 9.789 5.310 -4.961 1.00 0.73 H new ATOM 0 HG22 VAL A 19 8.473 5.260 -3.764 1.00 0.73 H new ATOM 0 HG23 VAL A 19 10.160 5.435 -3.225 1.00 0.73 H new ATOM 266 N HIS A 20 10.517 0.934 -2.600 1.00 0.64 N ATOM 267 CA HIS A 20 10.713 -0.487 -2.631 1.00 0.85 C ATOM 268 C HIS A 20 10.474 -1.108 -1.252 1.00 0.90 C ATOM 269 O HIS A 20 9.966 -2.226 -1.179 1.00 1.13 O ATOM 270 CB HIS A 20 12.026 -0.807 -3.350 1.00 1.00 C ATOM 271 CG HIS A 20 13.320 -0.228 -2.840 1.00 0.86 C ATOM 272 ND1 HIS A 20 14.371 0.152 -3.643 1.00 0.96 N ATOM 273 CD2 HIS A 20 13.789 -0.277 -1.557 1.00 0.78 C ATOM 274 CE1 HIS A 20 15.445 0.333 -2.856 1.00 0.93 C ATOM 275 NE2 HIS A 20 15.143 0.069 -1.576 1.00 0.81 N ATOM 0 H HIS A 20 11.366 1.485 -2.730 1.00 0.64 H new ATOM 0 HA HIS A 20 9.958 -0.989 -3.236 1.00 0.85 H new ATOM 0 HB2 HIS A 20 12.136 -1.891 -3.358 1.00 1.00 H new ATOM 0 HB3 HIS A 20 11.914 -0.490 -4.387 1.00 1.00 H new ATOM 0 HD2 HIS A 20 13.213 -0.538 -0.681 1.00 0.78 H new ATOM 0 HE1 HIS A 20 16.417 0.648 -3.206 1.00 0.93 H new ATOM 0 HE2 HIS A 20 15.775 0.112 -0.777 1.00 0.81 H new ATOM 283 N LYS A 21 10.734 -0.383 -0.151 1.00 0.78 N ATOM 284 CA LYS A 21 10.341 -0.837 1.165 1.00 0.96 C ATOM 285 C LYS A 21 8.849 -1.166 1.189 1.00 0.98 C ATOM 286 O LYS A 21 8.478 -2.191 1.755 1.00 1.37 O ATOM 287 CB LYS A 21 10.688 0.202 2.247 1.00 1.03 C ATOM 288 CG LYS A 21 11.014 -0.474 3.582 1.00 1.62 C ATOM 289 CD LYS A 21 10.216 0.061 4.787 1.00 2.60 C ATOM 290 CE LYS A 21 10.659 1.452 5.277 1.00 3.49 C ATOM 291 NZ LYS A 21 9.667 2.058 6.201 1.00 4.86 N ATOM 0 H LYS A 21 11.215 0.517 -0.161 1.00 0.78 H new ATOM 0 HA LYS A 21 10.903 -1.744 1.389 1.00 0.96 H new ATOM 0 HB2 LYS A 21 11.540 0.799 1.921 1.00 1.03 H new ATOM 0 HB3 LYS A 21 9.850 0.887 2.379 1.00 1.03 H new ATOM 0 HG2 LYS A 21 10.828 -1.544 3.487 1.00 1.62 H new ATOM 0 HG3 LYS A 21 12.078 -0.352 3.785 1.00 1.62 H new ATOM 0 HD2 LYS A 21 9.160 0.103 4.518 1.00 2.60 H new ATOM 0 HD3 LYS A 21 10.307 -0.647 5.611 1.00 2.60 H new ATOM 0 HE2 LYS A 21 11.621 1.369 5.782 1.00 3.49 H new ATOM 0 HE3 LYS A 21 10.805 2.109 4.420 1.00 3.49 H new ATOM 0 HZ1 LYS A 21 10.130 2.792 6.774 1.00 4.86 H new ATOM 0 HZ2 LYS A 21 8.895 2.484 5.650 1.00 4.86 H new ATOM 0 HZ3 LYS A 21 9.281 1.322 6.827 1.00 4.86 H new ATOM 305 N ILE A 22 7.994 -0.325 0.592 1.00 0.60 N ATOM 306 CA ILE A 22 6.607 -0.717 0.389 1.00 0.44 C ATOM 307 C ILE A 22 6.530 -1.779 -0.702 1.00 0.47 C ATOM 308 O ILE A 22 6.358 -2.956 -0.401 1.00 0.75 O ATOM 309 CB ILE A 22 5.654 0.466 0.130 1.00 0.47 C ATOM 310 CG1 ILE A 22 5.871 1.522 1.214 1.00 0.56 C ATOM 311 CG2 ILE A 22 4.205 -0.050 0.187 1.00 0.74 C ATOM 312 CD1 ILE A 22 4.968 2.750 1.109 1.00 0.72 C ATOM 0 H ILE A 22 8.236 0.606 0.252 1.00 0.60 H new ATOM 0 HA ILE A 22 6.250 -1.145 1.325 1.00 0.44 H new ATOM 0 HB ILE A 22 5.848 0.907 -0.848 1.00 0.47 H new ATOM 0 HG12 ILE A 22 5.716 1.058 2.188 1.00 0.56 H new ATOM 0 HG13 ILE A 22 6.910 1.850 1.178 1.00 0.56 H new ATOM 0 HG21 ILE A 22 3.517 0.776 0.006 1.00 0.74 H new ATOM 0 HG22 ILE A 22 4.061 -0.816 -0.575 1.00 0.74 H new ATOM 0 HG23 ILE A 22 4.009 -0.476 1.171 1.00 0.74 H new ATOM 0 HD11 ILE A 22 5.197 3.440 1.921 1.00 0.72 H new ATOM 0 HD12 ILE A 22 5.137 3.245 0.153 1.00 0.72 H new ATOM 0 HD13 ILE A 22 3.925 2.442 1.178 1.00 0.72 H new ATOM 324 N GLU A 23 6.575 -1.380 -1.974 1.00 0.46 N ATOM 325 CA GLU A 23 5.965 -2.187 -3.017 1.00 0.64 C ATOM 326 C GLU A 23 6.610 -3.563 -3.144 1.00 0.47 C ATOM 327 O GLU A 23 5.919 -4.584 -3.206 1.00 0.44 O ATOM 328 CB GLU A 23 5.821 -1.406 -4.324 1.00 1.20 C ATOM 329 CG GLU A 23 7.063 -0.960 -5.098 1.00 1.21 C ATOM 330 CD GLU A 23 6.606 -0.262 -6.381 1.00 1.29 C ATOM 331 OE1 GLU A 23 6.296 0.952 -6.306 1.00 2.05 O ATOM 332 OE2 GLU A 23 6.478 -0.967 -7.407 1.00 2.21 O ATOM 0 H GLU A 23 7.019 -0.520 -2.297 1.00 0.46 H new ATOM 0 HA GLU A 23 4.942 -2.411 -2.716 1.00 0.64 H new ATOM 0 HB2 GLU A 23 5.221 -2.016 -5.000 1.00 1.20 H new ATOM 0 HB3 GLU A 23 5.240 -0.511 -4.102 1.00 1.20 H new ATOM 0 HG2 GLU A 23 7.665 -0.283 -4.492 1.00 1.21 H new ATOM 0 HG3 GLU A 23 7.691 -1.819 -5.336 1.00 1.21 H new ATOM 339 N SER A 24 7.938 -3.597 -3.100 1.00 0.60 N ATOM 340 CA SER A 24 8.694 -4.837 -3.100 1.00 0.76 C ATOM 341 C SER A 24 8.410 -5.700 -1.861 1.00 0.79 C ATOM 342 O SER A 24 8.540 -6.922 -1.935 1.00 1.18 O ATOM 343 CB SER A 24 10.186 -4.545 -3.263 1.00 1.16 C ATOM 344 OG SER A 24 10.366 -3.542 -4.244 1.00 2.93 O ATOM 0 H SER A 24 8.519 -2.760 -3.063 1.00 0.60 H new ATOM 0 HA SER A 24 8.364 -5.427 -3.955 1.00 0.76 H new ATOM 0 HB2 SER A 24 10.610 -4.220 -2.313 1.00 1.16 H new ATOM 0 HB3 SER A 24 10.715 -5.452 -3.554 1.00 1.16 H new ATOM 0 HG SER A 24 11.287 -3.573 -4.579 1.00 2.93 H new ATOM 350 N SER A 25 8.052 -5.107 -0.716 1.00 0.63 N ATOM 351 CA SER A 25 7.560 -5.878 0.424 1.00 0.70 C ATOM 352 C SER A 25 6.156 -6.410 0.141 1.00 0.75 C ATOM 353 O SER A 25 5.915 -7.608 0.261 1.00 1.10 O ATOM 354 CB SER A 25 7.627 -5.055 1.715 1.00 0.70 C ATOM 355 OG SER A 25 7.332 -5.867 2.833 1.00 0.96 O ATOM 0 H SER A 25 8.095 -4.100 -0.558 1.00 0.63 H new ATOM 0 HA SER A 25 8.209 -6.741 0.572 1.00 0.70 H new ATOM 0 HB2 SER A 25 8.620 -4.620 1.825 1.00 0.70 H new ATOM 0 HB3 SER A 25 6.921 -4.227 1.663 1.00 0.70 H new ATOM 0 HG SER A 25 7.929 -5.633 3.574 1.00 0.96 H new ATOM 361 N LEU A 26 5.237 -5.519 -0.240 1.00 0.52 N ATOM 362 CA LEU A 26 3.838 -5.841 -0.484 1.00 0.55 C ATOM 363 C LEU A 26 3.700 -7.016 -1.450 1.00 0.56 C ATOM 364 O LEU A 26 2.917 -7.925 -1.175 1.00 0.63 O ATOM 365 CB LEU A 26 3.085 -4.604 -1.001 1.00 0.55 C ATOM 366 CG LEU A 26 2.459 -3.717 0.091 1.00 0.67 C ATOM 367 CD1 LEU A 26 1.196 -4.350 0.675 1.00 1.80 C ATOM 368 CD2 LEU A 26 3.408 -3.396 1.249 1.00 1.41 C ATOM 0 H LEU A 26 5.455 -4.534 -0.389 1.00 0.52 H new ATOM 0 HA LEU A 26 3.389 -6.144 0.462 1.00 0.55 H new ATOM 0 HB2 LEU A 26 3.774 -3.998 -1.589 1.00 0.55 H new ATOM 0 HB3 LEU A 26 2.295 -4.934 -1.676 1.00 0.55 H new ATOM 0 HG LEU A 26 2.220 -2.785 -0.421 1.00 0.67 H new ATOM 0 HD11 LEU A 26 0.782 -3.696 1.442 1.00 1.80 H new ATOM 0 HD12 LEU A 26 0.460 -4.491 -0.117 1.00 1.80 H new ATOM 0 HD13 LEU A 26 1.444 -5.315 1.116 1.00 1.80 H new ATOM 0 HD21 LEU A 26 2.894 -2.768 1.977 1.00 1.41 H new ATOM 0 HD22 LEU A 26 3.724 -4.323 1.728 1.00 1.41 H new ATOM 0 HD23 LEU A 26 4.282 -2.869 0.867 1.00 1.41 H new ATOM 380 N THR A 27 4.449 -7.000 -2.562 1.00 0.56 N ATOM 381 CA THR A 27 4.445 -8.038 -3.597 1.00 0.69 C ATOM 382 C THR A 27 5.021 -9.370 -3.084 1.00 0.93 C ATOM 383 O THR A 27 6.057 -9.845 -3.551 1.00 1.65 O ATOM 384 CB THR A 27 5.157 -7.520 -4.859 1.00 0.85 C ATOM 385 OG1 THR A 27 6.402 -6.937 -4.534 1.00 1.64 O ATOM 386 CG2 THR A 27 4.299 -6.472 -5.578 1.00 1.15 C ATOM 0 H THR A 27 5.095 -6.238 -2.770 1.00 0.56 H new ATOM 0 HA THR A 27 3.412 -8.259 -3.867 1.00 0.69 H new ATOM 0 HB THR A 27 5.316 -8.376 -5.514 1.00 0.85 H new ATOM 0 HG1 THR A 27 6.259 -6.031 -4.190 1.00 1.64 H new ATOM 0 HG21 THR A 27 4.823 -6.120 -6.467 1.00 1.15 H new ATOM 0 HG22 THR A 27 3.348 -6.918 -5.870 1.00 1.15 H new ATOM 0 HG23 THR A 27 4.115 -5.631 -4.909 1.00 1.15 H new ATOM 394 N LYS A 28 4.331 -9.961 -2.106 1.00 0.95 N ATOM 395 CA LYS A 28 4.666 -11.168 -1.365 1.00 1.05 C ATOM 396 C LYS A 28 3.396 -11.725 -0.725 1.00 0.86 C ATOM 397 O LYS A 28 3.121 -12.918 -0.845 1.00 0.97 O ATOM 398 CB LYS A 28 5.712 -10.892 -0.270 1.00 1.32 C ATOM 399 CG LYS A 28 7.023 -10.417 -0.893 1.00 2.58 C ATOM 400 CD LYS A 28 8.200 -10.351 0.083 1.00 3.17 C ATOM 401 CE LYS A 28 9.523 -10.272 -0.696 1.00 5.21 C ATOM 402 NZ LYS A 28 9.434 -9.404 -1.892 1.00 6.47 N ATOM 0 H LYS A 28 3.445 -9.568 -1.788 1.00 0.95 H new ATOM 0 HA LYS A 28 5.094 -11.889 -2.061 1.00 1.05 H new ATOM 0 HB2 LYS A 28 5.335 -10.137 0.420 1.00 1.32 H new ATOM 0 HB3 LYS A 28 5.886 -11.797 0.312 1.00 1.32 H new ATOM 0 HG2 LYS A 28 7.284 -11.085 -1.713 1.00 2.58 H new ATOM 0 HG3 LYS A 28 6.869 -9.428 -1.324 1.00 2.58 H new ATOM 0 HD2 LYS A 28 8.097 -9.481 0.731 1.00 3.17 H new ATOM 0 HD3 LYS A 28 8.199 -11.230 0.727 1.00 3.17 H new ATOM 0 HE2 LYS A 28 10.305 -9.896 -0.037 1.00 5.21 H new ATOM 0 HE3 LYS A 28 9.819 -11.275 -1.002 1.00 5.21 H new ATOM 0 HZ1 LYS A 28 10.389 -9.112 -2.181 1.00 6.47 H new ATOM 0 HZ2 LYS A 28 8.982 -9.928 -2.668 1.00 6.47 H new ATOM 0 HZ3 LYS A 28 8.868 -8.561 -1.668 1.00 6.47 H new ATOM 416 N HIS A 29 2.629 -10.882 -0.021 1.00 0.78 N ATOM 417 CA HIS A 29 1.431 -11.369 0.649 1.00 0.91 C ATOM 418 C HIS A 29 0.387 -11.778 -0.390 1.00 0.84 C ATOM 419 O HIS A 29 0.185 -11.084 -1.388 1.00 1.20 O ATOM 420 CB HIS A 29 0.885 -10.360 1.665 1.00 1.23 C ATOM 421 CG HIS A 29 0.140 -9.190 1.082 1.00 0.74 C ATOM 422 ND1 HIS A 29 -1.184 -9.184 0.701 1.00 1.53 N ATOM 423 CD2 HIS A 29 0.619 -7.915 0.961 1.00 0.88 C ATOM 424 CE1 HIS A 29 -1.496 -7.924 0.360 1.00 2.32 C ATOM 425 NE2 HIS A 29 -0.432 -7.115 0.499 1.00 1.95 N ATOM 0 H HIS A 29 2.815 -9.886 0.094 1.00 0.78 H new ATOM 0 HA HIS A 29 1.695 -12.253 1.230 1.00 0.91 H new ATOM 0 HB2 HIS A 29 0.221 -10.885 2.351 1.00 1.23 H new ATOM 0 HB3 HIS A 29 1.718 -9.980 2.256 1.00 1.23 H new ATOM 0 HD1 HIS A 29 -1.811 -9.988 0.682 1.00 1.53 H new ATOM 0 HD2 HIS A 29 1.624 -7.586 1.181 1.00 0.88 H new ATOM 0 HE1 HIS A 29 -2.470 -7.604 0.020 1.00 2.32 H new ATOM 433 N ARG A 30 -0.291 -12.903 -0.150 1.00 1.00 N ATOM 434 CA ARG A 30 -1.374 -13.330 -1.019 1.00 1.17 C ATOM 435 C ARG A 30 -2.431 -12.229 -1.109 1.00 1.30 C ATOM 436 O ARG A 30 -2.612 -11.444 -0.176 1.00 2.62 O ATOM 437 CB ARG A 30 -1.988 -14.646 -0.525 1.00 1.52 C ATOM 438 CG ARG A 30 -1.001 -15.812 -0.668 1.00 2.15 C ATOM 439 CD ARG A 30 -1.701 -17.138 -0.353 1.00 2.78 C ATOM 440 NE ARG A 30 -0.794 -18.279 -0.563 1.00 3.87 N ATOM 441 CZ ARG A 30 -1.157 -19.571 -0.495 1.00 4.77 C ATOM 442 NH1 ARG A 30 -2.416 -19.892 -0.182 1.00 4.75 N ATOM 443 NH2 ARG A 30 -0.261 -20.532 -0.744 1.00 6.12 N ATOM 0 H ARG A 30 -0.106 -13.527 0.636 1.00 1.00 H new ATOM 0 HA ARG A 30 -0.973 -13.511 -2.016 1.00 1.17 H new ATOM 0 HB2 ARG A 30 -2.283 -14.543 0.519 1.00 1.52 H new ATOM 0 HB3 ARG A 30 -2.894 -14.862 -1.092 1.00 1.52 H new ATOM 0 HG2 ARG A 30 -0.599 -15.836 -1.681 1.00 2.15 H new ATOM 0 HG3 ARG A 30 -0.157 -15.669 0.007 1.00 2.15 H new ATOM 0 HD2 ARG A 30 -2.050 -17.132 0.680 1.00 2.78 H new ATOM 0 HD3 ARG A 30 -2.581 -17.248 -0.987 1.00 2.78 H new ATOM 0 HE ARG A 30 0.182 -18.073 -0.776 1.00 3.87 H new ATOM 0 HH11 ARG A 30 -3.098 -19.157 0.004 1.00 4.75 H new ATOM 0 HH12 ARG A 30 -2.695 -20.872 -0.130 1.00 4.75 H new ATOM 0 HH21 ARG A 30 0.699 -20.284 -0.986 1.00 6.12 H new ATOM 0 HH22 ARG A 30 -0.537 -21.513 -0.692 1.00 6.12 H new ATOM 457 N GLY A 31 -3.102 -12.161 -2.256 1.00 0.72 N ATOM 458 CA GLY A 31 -4.136 -11.180 -2.512 1.00 0.79 C ATOM 459 C GLY A 31 -3.594 -9.902 -3.128 1.00 0.56 C ATOM 460 O GLY A 31 -4.345 -9.227 -3.823 1.00 0.73 O ATOM 0 H GLY A 31 -2.936 -12.795 -3.038 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.883 -11.611 -3.179 1.00 0.79 H new ATOM 0 HA3 GLY A 31 -4.643 -10.941 -1.577 1.00 0.79 H new ATOM 464 N ILE A 32 -2.314 -9.556 -2.941 1.00 0.54 N ATOM 465 CA ILE A 32 -1.776 -8.430 -3.681 1.00 0.56 C ATOM 466 C ILE A 32 -1.502 -8.886 -5.111 1.00 0.64 C ATOM 467 O ILE A 32 -0.720 -9.807 -5.344 1.00 0.84 O ATOM 468 CB ILE A 32 -0.553 -7.822 -2.969 1.00 0.64 C ATOM 469 CG1 ILE A 32 -0.774 -6.318 -2.761 1.00 0.79 C ATOM 470 CG2 ILE A 32 0.797 -8.054 -3.652 1.00 1.08 C ATOM 471 CD1 ILE A 32 -0.688 -5.541 -4.076 1.00 1.75 C ATOM 0 H ILE A 32 -1.663 -10.022 -2.310 1.00 0.54 H new ATOM 0 HA ILE A 32 -2.498 -7.615 -3.723 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.484 -8.355 -2.020 1.00 0.64 H new ATOM 0 HG12 ILE A 32 -1.751 -6.154 -2.306 1.00 0.79 H new ATOM 0 HG13 ILE A 32 -0.029 -5.935 -2.064 1.00 0.79 H new ATOM 0 HG21 ILE A 32 1.587 -7.584 -3.066 1.00 1.08 H new ATOM 0 HG22 ILE A 32 0.988 -9.125 -3.726 1.00 1.08 H new ATOM 0 HG23 ILE A 32 0.779 -7.619 -4.651 1.00 1.08 H new ATOM 0 HD11 ILE A 32 -0.850 -4.481 -3.883 1.00 1.75 H new ATOM 0 HD12 ILE A 32 0.298 -5.683 -4.518 1.00 1.75 H new ATOM 0 HD13 ILE A 32 -1.450 -5.905 -4.765 1.00 1.75 H new ATOM 483 N LEU A 33 -2.151 -8.228 -6.069 1.00 0.60 N ATOM 484 CA LEU A 33 -1.866 -8.398 -7.476 1.00 0.70 C ATOM 485 C LEU A 33 -0.654 -7.535 -7.825 1.00 0.84 C ATOM 486 O LEU A 33 0.318 -8.044 -8.379 1.00 1.09 O ATOM 487 CB LEU A 33 -3.102 -8.043 -8.311 1.00 0.91 C ATOM 488 CG LEU A 33 -4.375 -8.781 -7.870 1.00 1.19 C ATOM 489 CD1 LEU A 33 -5.555 -8.313 -8.727 1.00 1.79 C ATOM 490 CD2 LEU A 33 -4.225 -10.303 -7.984 1.00 2.14 C ATOM 0 H LEU A 33 -2.896 -7.557 -5.880 1.00 0.60 H new ATOM 0 HA LEU A 33 -1.627 -9.437 -7.704 1.00 0.70 H new ATOM 0 HB2 LEU A 33 -3.275 -6.969 -8.250 1.00 0.91 H new ATOM 0 HB3 LEU A 33 -2.902 -8.274 -9.357 1.00 0.91 H new ATOM 0 HG LEU A 33 -4.553 -8.546 -6.821 1.00 1.19 H new ATOM 0 HD11 LEU A 33 -6.460 -8.835 -8.416 1.00 1.79 H new ATOM 0 HD12 LEU A 33 -5.694 -7.239 -8.600 1.00 1.79 H new ATOM 0 HD13 LEU A 33 -5.352 -8.531 -9.776 1.00 1.79 H new ATOM 0 HD21 LEU A 33 -5.148 -10.785 -7.662 1.00 2.14 H new ATOM 0 HD22 LEU A 33 -4.018 -10.572 -9.020 1.00 2.14 H new ATOM 0 HD23 LEU A 33 -3.402 -10.636 -7.351 1.00 2.14 H new ATOM 502 N TYR A 34 -0.684 -6.233 -7.498 1.00 0.78 N ATOM 503 CA TYR A 34 0.478 -5.375 -7.655 1.00 1.00 C ATOM 504 C TYR A 34 0.325 -4.176 -6.728 1.00 0.76 C ATOM 505 O TYR A 34 -0.798 -3.746 -6.482 1.00 0.77 O ATOM 506 CB TYR A 34 0.632 -4.940 -9.119 1.00 1.46 C ATOM 507 CG TYR A 34 1.871 -4.104 -9.374 1.00 1.83 C ATOM 508 CD1 TYR A 34 3.140 -4.615 -9.041 1.00 3.11 C ATOM 509 CD2 TYR A 34 1.755 -2.799 -9.880 1.00 1.85 C ATOM 510 CE1 TYR A 34 4.277 -3.790 -9.122 1.00 3.57 C ATOM 511 CE2 TYR A 34 2.905 -2.009 -10.054 1.00 2.16 C ATOM 512 CZ TYR A 34 4.154 -2.474 -9.597 1.00 2.76 C ATOM 513 OH TYR A 34 5.238 -1.647 -9.647 1.00 3.26 O ATOM 0 H TYR A 34 -1.507 -5.761 -7.123 1.00 0.78 H new ATOM 0 HA TYR A 34 1.384 -5.919 -7.386 1.00 1.00 H new ATOM 0 HB2 TYR A 34 0.665 -5.827 -9.752 1.00 1.46 H new ATOM 0 HB3 TYR A 34 -0.249 -4.370 -9.415 1.00 1.46 H new ATOM 0 HD1 TYR A 34 3.241 -5.642 -8.723 1.00 3.11 H new ATOM 0 HD2 TYR A 34 0.783 -2.403 -10.135 1.00 1.85 H new ATOM 0 HE1 TYR A 34 5.242 -4.168 -8.819 1.00 3.57 H new ATOM 0 HE2 TYR A 34 2.831 -1.046 -10.538 1.00 2.16 H new ATOM 0 HH TYR A 34 5.576 -1.495 -8.740 1.00 3.26 H new ATOM 523 N CYS A 35 1.427 -3.644 -6.206 1.00 0.83 N ATOM 524 CA CYS A 35 1.457 -2.385 -5.476 1.00 0.71 C ATOM 525 C CYS A 35 2.355 -1.466 -6.278 1.00 0.93 C ATOM 526 O CYS A 35 3.344 -1.954 -6.817 1.00 1.35 O ATOM 527 CB CYS A 35 2.079 -2.588 -4.088 1.00 0.83 C ATOM 528 SG CYS A 35 2.375 -0.988 -3.312 1.00 2.24 S ATOM 0 H CYS A 35 2.342 -4.088 -6.282 1.00 0.83 H new ATOM 0 HA CYS A 35 0.452 -1.984 -5.346 1.00 0.71 H new ATOM 0 HB2 CYS A 35 1.414 -3.187 -3.466 1.00 0.83 H new ATOM 0 HB3 CYS A 35 3.016 -3.139 -4.176 1.00 0.83 H new ATOM 0 HG CYS A 35 1.450 -0.151 -3.678 1.00 2.24 H new ATOM 534 N SER A 36 2.068 -0.164 -6.335 1.00 0.81 N ATOM 535 CA SER A 36 3.157 0.768 -6.560 1.00 1.17 C ATOM 536 C SER A 36 2.892 2.073 -5.843 1.00 0.78 C ATOM 537 O SER A 36 1.733 2.427 -5.604 1.00 0.84 O ATOM 538 CB SER A 36 3.472 0.973 -8.042 1.00 1.84 C ATOM 539 OG SER A 36 4.614 1.794 -8.196 1.00 2.74 O ATOM 0 H SER A 36 1.140 0.247 -6.234 1.00 0.81 H new ATOM 0 HA SER A 36 4.057 0.324 -6.135 1.00 1.17 H new ATOM 0 HB2 SER A 36 3.643 0.009 -8.521 1.00 1.84 H new ATOM 0 HB3 SER A 36 2.618 1.430 -8.542 1.00 1.84 H new ATOM 0 HG SER A 36 5.287 1.546 -7.529 1.00 2.74 H new ATOM 545 N VAL A 37 3.981 2.742 -5.461 1.00 0.70 N ATOM 546 CA VAL A 37 3.938 3.911 -4.605 1.00 0.58 C ATOM 547 C VAL A 37 4.791 5.038 -5.193 1.00 0.67 C ATOM 548 O VAL A 37 5.918 4.798 -5.621 1.00 0.99 O ATOM 549 CB VAL A 37 4.326 3.497 -3.175 1.00 0.66 C ATOM 550 CG1 VAL A 37 3.615 2.226 -2.711 1.00 1.76 C ATOM 551 CG2 VAL A 37 5.805 3.160 -3.031 1.00 1.59 C ATOM 0 H VAL A 37 4.925 2.478 -5.745 1.00 0.70 H new ATOM 0 HA VAL A 37 2.929 4.319 -4.551 1.00 0.58 H new ATOM 0 HB VAL A 37 4.044 4.368 -2.584 1.00 0.66 H new ATOM 0 HG11 VAL A 37 3.929 1.984 -1.696 1.00 1.76 H new ATOM 0 HG12 VAL A 37 2.537 2.385 -2.730 1.00 1.76 H new ATOM 0 HG13 VAL A 37 3.872 1.402 -3.376 1.00 1.76 H new ATOM 0 HG21 VAL A 37 6.015 2.876 -2.000 1.00 1.59 H new ATOM 0 HG22 VAL A 37 6.056 2.332 -3.694 1.00 1.59 H new ATOM 0 HG23 VAL A 37 6.404 4.031 -3.296 1.00 1.59 H new ATOM 561 N ALA A 38 4.252 6.264 -5.237 1.00 0.61 N ATOM 562 CA ALA A 38 4.956 7.419 -5.798 1.00 0.68 C ATOM 563 C ALA A 38 5.167 8.535 -4.775 1.00 0.77 C ATOM 564 O ALA A 38 4.237 8.952 -4.079 1.00 0.83 O ATOM 565 CB ALA A 38 4.226 7.963 -7.019 1.00 0.74 C ATOM 0 H ALA A 38 3.319 6.480 -4.885 1.00 0.61 H new ATOM 0 HA ALA A 38 5.941 7.061 -6.098 1.00 0.68 H new ATOM 0 HB1 ALA A 38 4.770 8.820 -7.416 1.00 0.74 H new ATOM 0 HB2 ALA A 38 4.165 7.187 -7.782 1.00 0.74 H new ATOM 0 HB3 ALA A 38 3.220 8.272 -6.734 1.00 0.74 H new ATOM 571 N LEU A 39 6.406 9.036 -4.725 1.00 0.81 N ATOM 572 CA LEU A 39 6.875 10.021 -3.762 1.00 0.90 C ATOM 573 C LEU A 39 6.173 11.361 -3.943 1.00 0.84 C ATOM 574 O LEU A 39 5.749 11.965 -2.964 1.00 0.76 O ATOM 575 CB LEU A 39 8.389 10.231 -3.890 1.00 1.17 C ATOM 576 CG LEU A 39 9.267 8.988 -3.684 1.00 1.34 C ATOM 577 CD1 LEU A 39 8.822 8.142 -2.486 1.00 3.51 C ATOM 578 CD2 LEU A 39 9.430 8.132 -4.945 1.00 2.23 C ATOM 0 H LEU A 39 7.132 8.751 -5.382 1.00 0.81 H new ATOM 0 HA LEU A 39 6.641 9.632 -2.771 1.00 0.90 H new ATOM 0 HB2 LEU A 39 8.596 10.636 -4.881 1.00 1.17 H new ATOM 0 HB3 LEU A 39 8.692 10.988 -3.167 1.00 1.17 H new ATOM 0 HG LEU A 39 10.257 9.382 -3.455 1.00 1.34 H new ATOM 0 HD11 LEU A 39 9.478 7.277 -2.388 1.00 3.51 H new ATOM 0 HD12 LEU A 39 8.874 8.742 -1.577 1.00 3.51 H new ATOM 0 HD13 LEU A 39 7.797 7.805 -2.639 1.00 3.51 H new ATOM 0 HD21 LEU A 39 10.062 7.273 -4.722 1.00 2.23 H new ATOM 0 HD22 LEU A 39 8.452 7.786 -5.279 1.00 2.23 H new ATOM 0 HD23 LEU A 39 9.892 8.728 -5.732 1.00 2.23 H new ATOM 590 N ALA A 40 6.044 11.825 -5.189 1.00 0.97 N ATOM 591 CA ALA A 40 5.510 13.146 -5.511 1.00 1.08 C ATOM 592 C ALA A 40 4.153 13.420 -4.849 1.00 0.92 C ATOM 593 O ALA A 40 3.819 14.565 -4.566 1.00 0.98 O ATOM 594 CB ALA A 40 5.404 13.291 -7.031 1.00 1.41 C ATOM 0 H ALA A 40 6.312 11.285 -6.012 1.00 0.97 H new ATOM 0 HA ALA A 40 6.201 13.888 -5.110 1.00 1.08 H new ATOM 0 HB1 ALA A 40 5.006 14.276 -7.276 1.00 1.41 H new ATOM 0 HB2 ALA A 40 6.392 13.178 -7.477 1.00 1.41 H new ATOM 0 HB3 ALA A 40 4.738 12.523 -7.424 1.00 1.41 H new ATOM 600 N THR A 41 3.370 12.361 -4.633 1.00 0.87 N ATOM 601 CA THR A 41 2.051 12.396 -4.014 1.00 0.89 C ATOM 602 C THR A 41 2.037 11.663 -2.667 1.00 0.77 C ATOM 603 O THR A 41 0.978 11.536 -2.054 1.00 0.88 O ATOM 604 CB THR A 41 1.064 11.797 -5.027 1.00 1.31 C ATOM 605 OG1 THR A 41 -0.241 11.640 -4.500 1.00 1.84 O ATOM 606 CG2 THR A 41 1.544 10.475 -5.639 1.00 2.46 C ATOM 0 H THR A 41 3.653 11.417 -4.897 1.00 0.87 H new ATOM 0 HA THR A 41 1.760 13.420 -3.778 1.00 0.89 H new ATOM 0 HB THR A 41 1.021 12.535 -5.828 1.00 1.31 H new ATOM 0 HG1 THR A 41 -0.194 11.575 -3.523 1.00 1.84 H new ATOM 0 HG21 THR A 41 0.798 10.109 -6.345 1.00 2.46 H new ATOM 0 HG22 THR A 41 2.488 10.637 -6.159 1.00 2.46 H new ATOM 0 HG23 THR A 41 1.687 9.739 -4.848 1.00 2.46 H new ATOM 614 N ASN A 42 3.194 11.153 -2.239 1.00 0.72 N ATOM 615 CA ASN A 42 3.410 10.288 -1.081 1.00 0.70 C ATOM 616 C ASN A 42 2.301 9.235 -0.971 1.00 0.66 C ATOM 617 O ASN A 42 1.787 8.971 0.117 1.00 0.71 O ATOM 618 CB ASN A 42 3.560 11.104 0.213 1.00 0.79 C ATOM 619 CG ASN A 42 4.656 12.164 0.123 1.00 1.11 C ATOM 620 OD1 ASN A 42 4.370 13.317 -0.184 1.00 2.06 O ATOM 621 ND2 ASN A 42 5.912 11.820 0.406 1.00 1.42 N ATOM 0 H ASN A 42 4.067 11.349 -2.729 1.00 0.72 H new ATOM 0 HA ASN A 42 4.351 9.758 -1.228 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.611 11.588 0.443 1.00 0.79 H new ATOM 0 HB3 ASN A 42 3.782 10.428 1.039 1.00 0.79 H new ATOM 0 HD21 ASN A 42 6.653 12.520 0.369 1.00 1.42 H new ATOM 0 HD22 ASN A 42 6.132 10.857 0.659 1.00 1.42 H new ATOM 628 N LYS A 43 1.932 8.628 -2.105 1.00 0.66 N ATOM 629 CA LYS A 43 0.717 7.833 -2.212 1.00 0.67 C ATOM 630 C LYS A 43 0.991 6.490 -2.867 1.00 0.68 C ATOM 631 O LYS A 43 1.774 6.399 -3.814 1.00 0.83 O ATOM 632 CB LYS A 43 -0.379 8.654 -2.912 1.00 0.91 C ATOM 633 CG LYS A 43 -1.720 7.926 -3.086 1.00 1.74 C ATOM 634 CD LYS A 43 -1.906 7.349 -4.496 1.00 1.37 C ATOM 635 CE LYS A 43 -2.130 8.455 -5.542 1.00 1.26 C ATOM 636 NZ LYS A 43 -2.939 7.979 -6.684 1.00 1.58 N ATOM 0 H LYS A 43 2.471 8.678 -2.970 1.00 0.66 H new ATOM 0 HA LYS A 43 0.346 7.593 -1.215 1.00 0.67 H new ATOM 0 HB2 LYS A 43 -0.549 9.567 -2.341 1.00 0.91 H new ATOM 0 HB3 LYS A 43 -0.015 8.955 -3.894 1.00 0.91 H new ATOM 0 HG2 LYS A 43 -1.787 7.119 -2.357 1.00 1.74 H new ATOM 0 HG3 LYS A 43 -2.534 8.618 -2.871 1.00 1.74 H new ATOM 0 HD2 LYS A 43 -1.027 6.764 -4.768 1.00 1.37 H new ATOM 0 HD3 LYS A 43 -2.756 6.667 -4.500 1.00 1.37 H new ATOM 0 HE2 LYS A 43 -2.629 9.303 -5.072 1.00 1.26 H new ATOM 0 HE3 LYS A 43 -1.166 8.813 -5.904 1.00 1.26 H new ATOM 0 HZ1 LYS A 43 -2.727 8.555 -7.524 1.00 1.58 H new ATOM 0 HZ2 LYS A 43 -2.711 6.984 -6.880 1.00 1.58 H new ATOM 0 HZ3 LYS A 43 -3.949 8.063 -6.453 1.00 1.58 H new ATOM 650 N ALA A 44 0.332 5.461 -2.329 1.00 0.64 N ATOM 651 CA ALA A 44 0.391 4.085 -2.770 1.00 0.63 C ATOM 652 C ALA A 44 -0.932 3.718 -3.416 1.00 0.68 C ATOM 653 O ALA A 44 -1.983 4.083 -2.881 1.00 0.97 O ATOM 654 CB ALA A 44 0.634 3.188 -1.555 1.00 0.65 C ATOM 0 H ALA A 44 -0.289 5.584 -1.529 1.00 0.64 H new ATOM 0 HA ALA A 44 1.198 3.953 -3.491 1.00 0.63 H new ATOM 0 HB1 ALA A 44 0.680 2.147 -1.875 1.00 0.65 H new ATOM 0 HB2 ALA A 44 1.576 3.464 -1.081 1.00 0.65 H new ATOM 0 HB3 ALA A 44 -0.181 3.312 -0.842 1.00 0.65 H new ATOM 660 N HIS A 45 -0.879 2.966 -4.521 1.00 0.50 N ATOM 661 CA HIS A 45 -1.998 2.157 -4.946 1.00 0.50 C ATOM 662 C HIS A 45 -1.629 0.722 -4.590 1.00 0.53 C ATOM 663 O HIS A 45 -0.483 0.317 -4.810 1.00 0.84 O ATOM 664 CB HIS A 45 -2.287 2.370 -6.439 1.00 0.74 C ATOM 665 CG HIS A 45 -1.475 1.540 -7.400 1.00 1.57 C ATOM 666 ND1 HIS A 45 -0.649 2.014 -8.392 1.00 2.63 N ATOM 667 CD2 HIS A 45 -1.602 0.189 -7.579 1.00 1.99 C ATOM 668 CE1 HIS A 45 -0.288 0.962 -9.148 1.00 3.64 C ATOM 669 NE2 HIS A 45 -0.846 -0.172 -8.697 1.00 3.28 N ATOM 0 H HIS A 45 -0.064 2.909 -5.131 1.00 0.50 H new ATOM 0 HA HIS A 45 -2.928 2.430 -4.447 1.00 0.50 H new ATOM 0 HB2 HIS A 45 -3.343 2.164 -6.616 1.00 0.74 H new ATOM 0 HB3 HIS A 45 -2.124 3.422 -6.673 1.00 0.74 H new ATOM 0 HD1 HIS A 45 -0.363 2.984 -8.529 1.00 2.63 H new ATOM 0 HD2 HIS A 45 -2.185 -0.481 -6.964 1.00 1.99 H new ATOM 0 HE1 HIS A 45 0.365 1.022 -10.006 1.00 3.64 H new ATOM 677 N ILE A 46 -2.584 -0.034 -4.052 1.00 0.43 N ATOM 678 CA ILE A 46 -2.420 -1.450 -3.773 1.00 0.46 C ATOM 679 C ILE A 46 -3.575 -2.164 -4.469 1.00 0.54 C ATOM 680 O ILE A 46 -4.741 -1.980 -4.111 1.00 0.78 O ATOM 681 CB ILE A 46 -2.354 -1.700 -2.253 1.00 0.53 C ATOM 682 CG1 ILE A 46 -1.113 -1.034 -1.632 1.00 0.62 C ATOM 683 CG2 ILE A 46 -2.227 -3.194 -1.936 1.00 0.97 C ATOM 684 CD1 ILE A 46 -1.408 0.330 -1.013 1.00 1.35 C ATOM 0 H ILE A 46 -3.502 0.329 -3.796 1.00 0.43 H new ATOM 0 HA ILE A 46 -1.479 -1.842 -4.157 1.00 0.46 H new ATOM 0 HB ILE A 46 -3.276 -1.286 -1.844 1.00 0.53 H new ATOM 0 HG12 ILE A 46 -0.701 -1.691 -0.867 1.00 0.62 H new ATOM 0 HG13 ILE A 46 -0.348 -0.919 -2.400 1.00 0.62 H new ATOM 0 HG21 ILE A 46 -2.183 -3.334 -0.856 1.00 0.97 H new ATOM 0 HG22 ILE A 46 -3.090 -3.726 -2.336 1.00 0.97 H new ATOM 0 HG23 ILE A 46 -1.317 -3.586 -2.390 1.00 0.97 H new ATOM 0 HD11 ILE A 46 -0.492 0.745 -0.593 1.00 1.35 H new ATOM 0 HD12 ILE A 46 -1.793 1.002 -1.780 1.00 1.35 H new ATOM 0 HD13 ILE A 46 -2.151 0.218 -0.223 1.00 1.35 H new ATOM 696 N LYS A 47 -3.256 -2.959 -5.493 1.00 0.54 N ATOM 697 CA LYS A 47 -4.225 -3.760 -6.205 1.00 0.60 C ATOM 698 C LYS A 47 -4.418 -5.048 -5.416 1.00 0.47 C ATOM 699 O LYS A 47 -3.968 -6.111 -5.836 1.00 0.67 O ATOM 700 CB LYS A 47 -3.764 -3.997 -7.648 1.00 0.79 C ATOM 701 CG LYS A 47 -3.329 -2.700 -8.346 1.00 1.04 C ATOM 702 CD LYS A 47 -3.624 -2.841 -9.843 1.00 1.15 C ATOM 703 CE LYS A 47 -3.185 -1.597 -10.621 1.00 2.32 C ATOM 704 NZ LYS A 47 -3.616 -1.660 -12.033 1.00 2.91 N ATOM 0 H LYS A 47 -2.304 -3.058 -5.846 1.00 0.54 H new ATOM 0 HA LYS A 47 -5.186 -3.252 -6.284 1.00 0.60 H new ATOM 0 HB2 LYS A 47 -2.934 -4.703 -7.650 1.00 0.79 H new ATOM 0 HB3 LYS A 47 -4.574 -4.457 -8.214 1.00 0.79 H new ATOM 0 HG2 LYS A 47 -3.866 -1.847 -7.931 1.00 1.04 H new ATOM 0 HG3 LYS A 47 -2.267 -2.518 -8.183 1.00 1.04 H new ATOM 0 HD2 LYS A 47 -3.109 -3.718 -10.236 1.00 1.15 H new ATOM 0 HD3 LYS A 47 -4.691 -3.006 -9.991 1.00 1.15 H new ATOM 0 HE2 LYS A 47 -3.603 -0.707 -10.151 1.00 2.32 H new ATOM 0 HE3 LYS A 47 -2.100 -1.502 -10.575 1.00 2.32 H new ATOM 0 HZ1 LYS A 47 -3.302 -0.802 -12.530 1.00 2.91 H new ATOM 0 HZ2 LYS A 47 -3.197 -2.496 -12.487 1.00 2.91 H new ATOM 0 HZ3 LYS A 47 -4.653 -1.726 -12.077 1.00 2.91 H new ATOM 718 N TYR A 48 -5.019 -4.929 -4.231 1.00 1.03 N ATOM 719 CA TYR A 48 -5.320 -6.074 -3.389 1.00 0.98 C ATOM 720 C TYR A 48 -6.710 -6.616 -3.694 1.00 1.02 C ATOM 721 O TYR A 48 -7.645 -5.839 -3.875 1.00 1.32 O ATOM 722 CB TYR A 48 -5.162 -5.732 -1.907 1.00 1.03 C ATOM 723 CG TYR A 48 -6.139 -4.716 -1.343 1.00 1.21 C ATOM 724 CD1 TYR A 48 -7.368 -5.138 -0.799 1.00 1.67 C ATOM 725 CD2 TYR A 48 -5.783 -3.358 -1.276 1.00 2.61 C ATOM 726 CE1 TYR A 48 -8.200 -4.220 -0.140 1.00 1.72 C ATOM 727 CE2 TYR A 48 -6.597 -2.447 -0.586 1.00 2.87 C ATOM 728 CZ TYR A 48 -7.802 -2.880 -0.015 1.00 1.75 C ATOM 729 OH TYR A 48 -8.583 -1.991 0.654 1.00 2.07 O ATOM 0 H TYR A 48 -5.308 -4.035 -3.834 1.00 1.03 H new ATOM 0 HA TYR A 48 -4.599 -6.859 -3.616 1.00 0.98 H new ATOM 0 HB2 TYR A 48 -5.256 -6.653 -1.332 1.00 1.03 H new ATOM 0 HB3 TYR A 48 -4.150 -5.359 -1.748 1.00 1.03 H new ATOM 0 HD1 TYR A 48 -7.671 -6.171 -0.889 1.00 1.67 H new ATOM 0 HD2 TYR A 48 -4.879 -3.014 -1.757 1.00 2.61 H new ATOM 0 HE1 TYR A 48 -9.145 -4.544 0.270 1.00 1.72 H new ATOM 0 HE2 TYR A 48 -6.296 -1.414 -0.495 1.00 2.87 H new ATOM 0 HH TYR A 48 -8.156 -1.109 0.645 1.00 2.07 H new ATOM 739 N ASP A 49 -6.835 -7.943 -3.705 1.00 0.82 N ATOM 740 CA ASP A 49 -8.091 -8.668 -3.866 1.00 0.89 C ATOM 741 C ASP A 49 -9.040 -8.260 -2.732 1.00 1.05 C ATOM 742 O ASP A 49 -8.814 -8.678 -1.594 1.00 1.06 O ATOM 743 CB ASP A 49 -7.822 -10.184 -3.806 1.00 0.98 C ATOM 744 CG ASP A 49 -7.075 -10.743 -5.010 1.00 1.54 C ATOM 745 OD1 ASP A 49 -7.012 -10.033 -6.035 1.00 2.54 O ATOM 746 OD2 ASP A 49 -6.609 -11.896 -4.890 1.00 2.24 O ATOM 0 H ASP A 49 -6.033 -8.564 -3.598 1.00 0.82 H new ATOM 0 HA ASP A 49 -8.543 -8.429 -4.829 1.00 0.89 H new ATOM 0 HB2 ASP A 49 -7.248 -10.403 -2.905 1.00 0.98 H new ATOM 0 HB3 ASP A 49 -8.775 -10.705 -3.712 1.00 0.98 H new ATOM 751 N PRO A 50 -10.084 -7.454 -2.993 1.00 1.32 N ATOM 752 CA PRO A 50 -10.860 -6.789 -1.955 1.00 1.66 C ATOM 753 C PRO A 50 -11.898 -7.749 -1.366 1.00 1.87 C ATOM 754 O PRO A 50 -13.102 -7.513 -1.456 1.00 2.30 O ATOM 755 CB PRO A 50 -11.492 -5.590 -2.669 1.00 2.01 C ATOM 756 CG PRO A 50 -11.763 -6.145 -4.068 1.00 1.89 C ATOM 757 CD PRO A 50 -10.552 -7.047 -4.311 1.00 1.42 C ATOM 0 HA PRO A 50 -10.262 -6.466 -1.103 1.00 1.66 H new ATOM 0 HB2 PRO A 50 -12.408 -5.262 -2.178 1.00 2.01 H new ATOM 0 HB3 PRO A 50 -10.820 -4.733 -2.696 1.00 2.01 H new ATOM 0 HG2 PRO A 50 -12.698 -6.703 -4.108 1.00 1.89 H new ATOM 0 HG3 PRO A 50 -11.833 -5.352 -4.812 1.00 1.89 H new ATOM 0 HD2 PRO A 50 -10.825 -7.914 -4.913 1.00 1.42 H new ATOM 0 HD3 PRO A 50 -9.772 -6.515 -4.855 1.00 1.42 H new ATOM 765 N GLU A 51 -11.424 -8.844 -0.773 1.00 1.87 N ATOM 766 CA GLU A 51 -12.249 -9.967 -0.361 1.00 2.02 C ATOM 767 C GLU A 51 -11.473 -10.848 0.619 1.00 1.68 C ATOM 768 O GLU A 51 -11.885 -11.011 1.766 1.00 2.06 O ATOM 769 CB GLU A 51 -12.776 -10.717 -1.601 1.00 2.44 C ATOM 770 CG GLU A 51 -11.720 -11.084 -2.660 1.00 2.28 C ATOM 771 CD GLU A 51 -12.365 -11.340 -4.011 1.00 3.10 C ATOM 772 OE1 GLU A 51 -12.595 -10.365 -4.767 1.00 4.41 O ATOM 773 OE2 GLU A 51 -12.669 -12.509 -4.335 1.00 3.00 O ATOM 0 H GLU A 51 -10.434 -8.973 -0.563 1.00 1.87 H new ATOM 0 HA GLU A 51 -13.131 -9.619 0.176 1.00 2.02 H new ATOM 0 HB2 GLU A 51 -13.263 -11.633 -1.268 1.00 2.44 H new ATOM 0 HB3 GLU A 51 -13.541 -10.103 -2.076 1.00 2.44 H new ATOM 0 HG2 GLU A 51 -10.993 -10.277 -2.748 1.00 2.28 H new ATOM 0 HG3 GLU A 51 -11.174 -11.971 -2.341 1.00 2.28 H new ATOM 780 N ILE A 52 -10.339 -11.398 0.180 1.00 1.30 N ATOM 781 CA ILE A 52 -9.491 -12.240 1.021 1.00 1.22 C ATOM 782 C ILE A 52 -8.553 -11.409 1.905 1.00 0.96 C ATOM 783 O ILE A 52 -8.144 -11.870 2.968 1.00 1.06 O ATOM 784 CB ILE A 52 -8.723 -13.274 0.178 1.00 1.48 C ATOM 785 CG1 ILE A 52 -7.910 -12.639 -0.963 1.00 1.95 C ATOM 786 CG2 ILE A 52 -9.701 -14.332 -0.356 1.00 2.13 C ATOM 787 CD1 ILE A 52 -6.938 -13.630 -1.608 1.00 2.62 C ATOM 0 H ILE A 52 -9.984 -11.271 -0.768 1.00 1.30 H new ATOM 0 HA ILE A 52 -10.146 -12.791 1.696 1.00 1.22 H new ATOM 0 HB ILE A 52 -7.992 -13.751 0.831 1.00 1.48 H new ATOM 0 HG12 ILE A 52 -8.592 -12.257 -1.722 1.00 1.95 H new ATOM 0 HG13 ILE A 52 -7.352 -11.786 -0.577 1.00 1.95 H new ATOM 0 HG21 ILE A 52 -9.156 -15.063 -0.953 1.00 2.13 H new ATOM 0 HG22 ILE A 52 -10.185 -14.835 0.481 1.00 2.13 H new ATOM 0 HG23 ILE A 52 -10.457 -13.849 -0.976 1.00 2.13 H new ATOM 0 HD11 ILE A 52 -6.388 -13.133 -2.407 1.00 2.62 H new ATOM 0 HD12 ILE A 52 -6.237 -13.993 -0.857 1.00 2.62 H new ATOM 0 HD13 ILE A 52 -7.496 -14.471 -2.020 1.00 2.62 H new ATOM 799 N ILE A 53 -8.206 -10.199 1.464 1.00 0.93 N ATOM 800 CA ILE A 53 -7.360 -9.247 2.172 1.00 0.83 C ATOM 801 C ILE A 53 -8.100 -7.906 2.136 1.00 0.84 C ATOM 802 O ILE A 53 -8.746 -7.597 1.135 1.00 0.96 O ATOM 803 CB ILE A 53 -5.971 -9.229 1.492 1.00 0.74 C ATOM 804 CG1 ILE A 53 -4.974 -8.273 2.167 1.00 0.96 C ATOM 805 CG2 ILE A 53 -6.059 -8.893 0.000 1.00 0.69 C ATOM 806 CD1 ILE A 53 -4.283 -8.947 3.351 1.00 1.27 C ATOM 0 H ILE A 53 -8.523 -9.843 0.562 1.00 0.93 H new ATOM 0 HA ILE A 53 -7.178 -9.504 3.216 1.00 0.83 H new ATOM 0 HB ILE A 53 -5.595 -10.245 1.609 1.00 0.74 H new ATOM 0 HG12 ILE A 53 -4.227 -7.950 1.442 1.00 0.96 H new ATOM 0 HG13 ILE A 53 -5.496 -7.379 2.507 1.00 0.96 H new ATOM 0 HG21 ILE A 53 -5.058 -8.893 -0.432 1.00 0.69 H new ATOM 0 HG22 ILE A 53 -6.672 -9.639 -0.505 1.00 0.69 H new ATOM 0 HG23 ILE A 53 -6.509 -7.908 -0.125 1.00 0.69 H new ATOM 0 HD11 ILE A 53 -3.583 -8.248 3.810 1.00 1.27 H new ATOM 0 HD12 ILE A 53 -5.030 -9.247 4.086 1.00 1.27 H new ATOM 0 HD13 ILE A 53 -3.742 -9.827 3.004 1.00 1.27 H new ATOM 818 N GLY A 54 -8.079 -7.137 3.229 1.00 0.85 N ATOM 819 CA GLY A 54 -8.850 -5.916 3.363 1.00 0.89 C ATOM 820 C GLY A 54 -7.958 -4.689 3.557 1.00 0.88 C ATOM 821 O GLY A 54 -6.733 -4.787 3.667 1.00 0.89 O ATOM 0 H GLY A 54 -7.516 -7.355 4.051 1.00 0.85 H new ATOM 0 HA2 GLY A 54 -9.467 -5.778 2.475 1.00 0.89 H new ATOM 0 HA3 GLY A 54 -9.529 -6.008 4.211 1.00 0.89 H new ATOM 825 N PRO A 55 -8.584 -3.503 3.614 1.00 0.94 N ATOM 826 CA PRO A 55 -7.890 -2.249 3.843 1.00 1.00 C ATOM 827 C PRO A 55 -7.166 -2.276 5.185 1.00 1.08 C ATOM 828 O PRO A 55 -6.039 -1.807 5.284 1.00 1.09 O ATOM 829 CB PRO A 55 -8.965 -1.157 3.809 1.00 1.09 C ATOM 830 CG PRO A 55 -10.274 -1.897 4.080 1.00 1.15 C ATOM 831 CD PRO A 55 -10.020 -3.300 3.529 1.00 1.00 C ATOM 0 HA PRO A 55 -7.128 -2.066 3.086 1.00 1.00 H new ATOM 0 HB2 PRO A 55 -8.778 -0.393 4.563 1.00 1.09 H new ATOM 0 HB3 PRO A 55 -8.987 -0.652 2.843 1.00 1.09 H new ATOM 0 HG2 PRO A 55 -10.507 -1.921 5.145 1.00 1.15 H new ATOM 0 HG3 PRO A 55 -11.116 -1.417 3.580 1.00 1.15 H new ATOM 0 HD2 PRO A 55 -10.556 -4.051 4.109 1.00 1.00 H new ATOM 0 HD3 PRO A 55 -10.367 -3.385 2.499 1.00 1.00 H new ATOM 839 N ARG A 56 -7.810 -2.820 6.221 1.00 1.19 N ATOM 840 CA ARG A 56 -7.212 -2.918 7.544 1.00 1.31 C ATOM 841 C ARG A 56 -5.926 -3.741 7.493 1.00 1.20 C ATOM 842 O ARG A 56 -4.910 -3.321 8.042 1.00 1.15 O ATOM 843 CB ARG A 56 -8.222 -3.475 8.552 1.00 1.59 C ATOM 844 CG ARG A 56 -9.384 -2.487 8.720 1.00 3.00 C ATOM 845 CD ARG A 56 -10.339 -2.929 9.830 1.00 3.40 C ATOM 846 NE ARG A 56 -11.420 -1.944 9.998 1.00 5.00 N ATOM 847 CZ ARG A 56 -12.401 -2.022 10.910 1.00 5.88 C ATOM 848 NH1 ARG A 56 -12.448 -3.065 11.746 1.00 5.51 N ATOM 849 NH2 ARG A 56 -13.327 -1.058 10.981 1.00 7.48 N ATOM 0 H ARG A 56 -8.754 -3.201 6.162 1.00 1.19 H new ATOM 0 HA ARG A 56 -6.939 -1.919 7.884 1.00 1.31 H new ATOM 0 HB2 ARG A 56 -8.598 -4.439 8.209 1.00 1.59 H new ATOM 0 HB3 ARG A 56 -7.735 -3.646 9.512 1.00 1.59 H new ATOM 0 HG2 ARG A 56 -8.991 -1.497 8.950 1.00 3.00 H new ATOM 0 HG3 ARG A 56 -9.930 -2.403 7.781 1.00 3.00 H new ATOM 0 HD2 ARG A 56 -10.761 -3.904 9.588 1.00 3.40 H new ATOM 0 HD3 ARG A 56 -9.792 -3.041 10.766 1.00 3.40 H new ATOM 0 HE ARG A 56 -11.424 -1.139 9.372 1.00 5.00 H new ATOM 0 HH11 ARG A 56 -11.740 -3.797 11.689 1.00 5.51 H new ATOM 0 HH12 ARG A 56 -13.192 -3.128 12.441 1.00 5.51 H new ATOM 0 HH21 ARG A 56 -13.287 -0.264 10.342 1.00 7.48 H new ATOM 0 HH22 ARG A 56 -14.073 -1.117 11.674 1.00 7.48 H new ATOM 863 N ASP A 57 -5.946 -4.892 6.816 1.00 1.22 N ATOM 864 CA ASP A 57 -4.760 -5.722 6.675 1.00 1.21 C ATOM 865 C ASP A 57 -3.642 -4.904 6.031 1.00 1.12 C ATOM 866 O ASP A 57 -2.534 -4.839 6.560 1.00 1.09 O ATOM 867 CB ASP A 57 -5.074 -6.964 5.834 1.00 1.27 C ATOM 868 CG ASP A 57 -6.387 -7.618 6.218 1.00 2.01 C ATOM 869 OD1 ASP A 57 -7.419 -7.015 5.840 1.00 3.26 O ATOM 870 OD2 ASP A 57 -6.345 -8.683 6.864 1.00 2.18 O ATOM 0 H ASP A 57 -6.777 -5.266 6.357 1.00 1.22 H new ATOM 0 HA ASP A 57 -4.435 -6.056 7.660 1.00 1.21 H new ATOM 0 HB2 ASP A 57 -5.107 -6.685 4.781 1.00 1.27 H new ATOM 0 HB3 ASP A 57 -4.266 -7.687 5.947 1.00 1.27 H new ATOM 875 N ILE A 58 -3.939 -4.258 4.900 1.00 1.07 N ATOM 876 CA ILE A 58 -2.985 -3.400 4.207 1.00 0.93 C ATOM 877 C ILE A 58 -2.434 -2.316 5.129 1.00 0.90 C ATOM 878 O ILE A 58 -1.218 -2.122 5.202 1.00 0.86 O ATOM 879 CB ILE A 58 -3.649 -2.822 2.946 1.00 0.85 C ATOM 880 CG1 ILE A 58 -3.879 -3.930 1.909 1.00 0.70 C ATOM 881 CG2 ILE A 58 -2.853 -1.655 2.341 1.00 0.88 C ATOM 882 CD1 ILE A 58 -2.589 -4.638 1.498 1.00 1.81 C ATOM 0 H ILE A 58 -4.849 -4.318 4.442 1.00 1.07 H new ATOM 0 HA ILE A 58 -2.123 -3.992 3.899 1.00 0.93 H new ATOM 0 HB ILE A 58 -4.614 -2.414 3.247 1.00 0.85 H new ATOM 0 HG12 ILE A 58 -4.576 -4.663 2.316 1.00 0.70 H new ATOM 0 HG13 ILE A 58 -4.349 -3.501 1.024 1.00 0.70 H new ATOM 0 HG21 ILE A 58 -3.367 -1.285 1.454 1.00 0.88 H new ATOM 0 HG22 ILE A 58 -2.771 -0.852 3.074 1.00 0.88 H new ATOM 0 HG23 ILE A 58 -1.856 -1.999 2.066 1.00 0.88 H new ATOM 0 HD11 ILE A 58 -2.816 -5.411 0.763 1.00 1.81 H new ATOM 0 HD12 ILE A 58 -1.900 -3.915 1.063 1.00 1.81 H new ATOM 0 HD13 ILE A 58 -2.130 -5.095 2.375 1.00 1.81 H new ATOM 894 N ILE A 59 -3.318 -1.617 5.835 1.00 0.93 N ATOM 895 CA ILE A 59 -2.935 -0.603 6.797 1.00 0.85 C ATOM 896 C ILE A 59 -1.937 -1.205 7.785 1.00 0.82 C ATOM 897 O ILE A 59 -0.813 -0.731 7.888 1.00 0.72 O ATOM 898 CB ILE A 59 -4.191 0.003 7.451 1.00 0.88 C ATOM 899 CG1 ILE A 59 -4.809 1.021 6.478 1.00 0.92 C ATOM 900 CG2 ILE A 59 -3.922 0.653 8.817 1.00 0.84 C ATOM 901 CD1 ILE A 59 -6.282 1.282 6.793 1.00 0.98 C ATOM 0 H ILE A 59 -4.327 -1.744 5.751 1.00 0.93 H new ATOM 0 HA ILE A 59 -2.427 0.231 6.312 1.00 0.85 H new ATOM 0 HB ILE A 59 -4.886 -0.813 7.650 1.00 0.88 H new ATOM 0 HG12 ILE A 59 -4.254 1.958 6.530 1.00 0.92 H new ATOM 0 HG13 ILE A 59 -4.715 0.652 5.457 1.00 0.92 H new ATOM 0 HG21 ILE A 59 -4.852 1.058 9.217 1.00 0.84 H new ATOM 0 HG22 ILE A 59 -3.527 -0.095 9.504 1.00 0.84 H new ATOM 0 HG23 ILE A 59 -3.196 1.458 8.700 1.00 0.84 H new ATOM 0 HD11 ILE A 59 -6.683 2.006 6.084 1.00 0.98 H new ATOM 0 HD12 ILE A 59 -6.841 0.350 6.715 1.00 0.98 H new ATOM 0 HD13 ILE A 59 -6.373 1.676 7.805 1.00 0.98 H new ATOM 913 N HIS A 60 -2.308 -2.286 8.468 1.00 0.93 N ATOM 914 CA HIS A 60 -1.487 -2.838 9.536 1.00 0.97 C ATOM 915 C HIS A 60 -0.169 -3.383 8.992 1.00 0.91 C ATOM 916 O HIS A 60 0.877 -3.270 9.632 1.00 0.90 O ATOM 917 CB HIS A 60 -2.295 -3.858 10.341 1.00 1.24 C ATOM 918 CG HIS A 60 -3.485 -3.216 11.013 1.00 1.78 C ATOM 919 ND1 HIS A 60 -3.507 -1.962 11.587 1.00 3.13 N ATOM 920 CD2 HIS A 60 -4.761 -3.712 11.056 1.00 1.81 C ATOM 921 CE1 HIS A 60 -4.771 -1.715 11.967 1.00 3.49 C ATOM 922 NE2 HIS A 60 -5.575 -2.751 11.668 1.00 2.61 N ATOM 0 H HIS A 60 -3.175 -2.796 8.298 1.00 0.93 H new ATOM 0 HA HIS A 60 -1.206 -2.045 10.229 1.00 0.97 H new ATOM 0 HB2 HIS A 60 -2.635 -4.656 9.681 1.00 1.24 H new ATOM 0 HB3 HIS A 60 -1.655 -4.318 11.094 1.00 1.24 H new ATOM 0 HD1 HIS A 60 -2.709 -1.337 11.702 1.00 3.13 H new ATOM 0 HD2 HIS A 60 -5.082 -4.674 10.684 1.00 1.81 H new ATOM 0 HE1 HIS A 60 -5.098 -0.805 12.449 1.00 3.49 H new ATOM 930 N THR A 61 -0.206 -3.925 7.776 1.00 0.93 N ATOM 931 CA THR A 61 0.994 -4.321 7.062 1.00 0.94 C ATOM 932 C THR A 61 1.920 -3.106 6.911 1.00 0.83 C ATOM 933 O THR A 61 3.054 -3.125 7.386 1.00 0.92 O ATOM 934 CB THR A 61 0.594 -4.964 5.726 1.00 1.02 C ATOM 935 OG1 THR A 61 -0.184 -6.114 5.980 1.00 1.22 O ATOM 936 CG2 THR A 61 1.796 -5.402 4.882 1.00 1.08 C ATOM 0 H THR A 61 -1.070 -4.099 7.263 1.00 0.93 H new ATOM 0 HA THR A 61 1.557 -5.072 7.616 1.00 0.94 H new ATOM 0 HB THR A 61 0.044 -4.205 5.170 1.00 1.02 H new ATOM 0 HG1 THR A 61 -1.097 -5.846 6.216 1.00 1.22 H new ATOM 0 HG21 THR A 61 1.444 -5.848 3.952 1.00 1.08 H new ATOM 0 HG22 THR A 61 2.417 -4.535 4.657 1.00 1.08 H new ATOM 0 HG23 THR A 61 2.382 -6.135 5.437 1.00 1.08 H new ATOM 944 N ILE A 62 1.453 -2.028 6.275 1.00 0.69 N ATOM 945 CA ILE A 62 2.302 -0.872 5.999 1.00 0.58 C ATOM 946 C ILE A 62 2.738 -0.174 7.302 1.00 0.58 C ATOM 947 O ILE A 62 3.880 0.277 7.396 1.00 0.60 O ATOM 948 CB ILE A 62 1.625 0.047 4.966 1.00 0.53 C ATOM 949 CG1 ILE A 62 1.484 -0.693 3.622 1.00 0.54 C ATOM 950 CG2 ILE A 62 2.435 1.334 4.757 1.00 0.56 C ATOM 951 CD1 ILE A 62 0.547 0.021 2.646 1.00 1.21 C ATOM 0 H ILE A 62 0.493 -1.934 5.943 1.00 0.69 H new ATOM 0 HA ILE A 62 3.235 -1.199 5.540 1.00 0.58 H new ATOM 0 HB ILE A 62 0.639 0.316 5.346 1.00 0.53 H new ATOM 0 HG12 ILE A 62 2.468 -0.796 3.164 1.00 0.54 H new ATOM 0 HG13 ILE A 62 1.111 -1.701 3.805 1.00 0.54 H new ATOM 0 HG21 ILE A 62 1.934 1.964 4.022 1.00 0.56 H new ATOM 0 HG22 ILE A 62 2.515 1.871 5.702 1.00 0.56 H new ATOM 0 HG23 ILE A 62 3.433 1.082 4.398 1.00 0.56 H new ATOM 0 HD11 ILE A 62 0.487 -0.547 1.718 1.00 1.21 H new ATOM 0 HD12 ILE A 62 -0.446 0.100 3.087 1.00 1.21 H new ATOM 0 HD13 ILE A 62 0.932 1.019 2.437 1.00 1.21 H new ATOM 963 N GLU A 63 1.873 -0.132 8.322 1.00 0.58 N ATOM 964 CA GLU A 63 2.251 0.272 9.672 1.00 0.59 C ATOM 965 C GLU A 63 3.449 -0.560 10.136 1.00 0.69 C ATOM 966 O GLU A 63 4.467 0.000 10.539 1.00 0.70 O ATOM 967 CB GLU A 63 1.065 0.132 10.638 1.00 0.68 C ATOM 968 CG GLU A 63 -0.025 1.183 10.373 1.00 1.39 C ATOM 969 CD GLU A 63 -1.303 0.960 11.180 1.00 2.13 C ATOM 970 OE1 GLU A 63 -1.482 -0.156 11.717 1.00 2.53 O ATOM 971 OE2 GLU A 63 -2.111 1.911 11.224 1.00 3.40 O ATOM 0 H GLU A 63 0.888 -0.379 8.229 1.00 0.58 H new ATOM 0 HA GLU A 63 2.538 1.324 9.664 1.00 0.59 H new ATOM 0 HB2 GLU A 63 0.637 -0.866 10.543 1.00 0.68 H new ATOM 0 HB3 GLU A 63 1.420 0.230 11.664 1.00 0.68 H new ATOM 0 HG2 GLU A 63 0.372 2.171 10.604 1.00 1.39 H new ATOM 0 HG3 GLU A 63 -0.271 1.179 9.311 1.00 1.39 H new ATOM 978 N SER A 64 3.364 -1.891 10.036 1.00 0.81 N ATOM 979 CA SER A 64 4.477 -2.768 10.386 1.00 0.93 C ATOM 980 C SER A 64 5.739 -2.445 9.573 1.00 0.99 C ATOM 981 O SER A 64 6.841 -2.483 10.114 1.00 1.06 O ATOM 982 CB SER A 64 4.083 -4.243 10.245 1.00 1.06 C ATOM 983 OG SER A 64 2.926 -4.522 11.010 1.00 2.23 O ATOM 0 H SER A 64 2.530 -2.382 9.714 1.00 0.81 H new ATOM 0 HA SER A 64 4.717 -2.585 11.433 1.00 0.93 H new ATOM 0 HB2 SER A 64 3.898 -4.478 9.197 1.00 1.06 H new ATOM 0 HB3 SER A 64 4.905 -4.878 10.574 1.00 1.06 H new ATOM 0 HG SER A 64 2.143 -4.121 10.578 1.00 2.23 H new ATOM 989 N LEU A 65 5.598 -2.105 8.285 1.00 1.03 N ATOM 990 CA LEU A 65 6.735 -1.663 7.472 1.00 1.14 C ATOM 991 C LEU A 65 7.290 -0.302 7.911 1.00 1.09 C ATOM 992 O LEU A 65 8.350 0.109 7.434 1.00 1.29 O ATOM 993 CB LEU A 65 6.381 -1.609 5.979 1.00 1.19 C ATOM 994 CG LEU A 65 5.835 -2.922 5.409 1.00 1.31 C ATOM 995 CD1 LEU A 65 5.580 -2.751 3.911 1.00 1.48 C ATOM 996 CD2 LEU A 65 6.780 -4.107 5.635 1.00 1.51 C ATOM 0 H LEU A 65 4.709 -2.128 7.786 1.00 1.03 H new ATOM 0 HA LEU A 65 7.512 -2.411 7.631 1.00 1.14 H new ATOM 0 HB2 LEU A 65 5.642 -0.824 5.822 1.00 1.19 H new ATOM 0 HB3 LEU A 65 7.271 -1.326 5.417 1.00 1.19 H new ATOM 0 HG LEU A 65 4.909 -3.147 5.938 1.00 1.31 H new ATOM 0 HD11 LEU A 65 5.191 -3.682 3.499 1.00 1.48 H new ATOM 0 HD12 LEU A 65 4.853 -1.954 3.754 1.00 1.48 H new ATOM 0 HD13 LEU A 65 6.513 -2.495 3.410 1.00 1.48 H new ATOM 0 HD21 LEU A 65 6.340 -5.009 5.210 1.00 1.51 H new ATOM 0 HD22 LEU A 65 7.736 -3.907 5.152 1.00 1.51 H new ATOM 0 HD23 LEU A 65 6.937 -4.249 6.704 1.00 1.51 H new ATOM 1008 N GLY A 66 6.598 0.423 8.789 1.00 0.94 N ATOM 1009 CA GLY A 66 7.058 1.699 9.296 1.00 0.93 C ATOM 1010 C GLY A 66 6.848 2.796 8.261 1.00 1.07 C ATOM 1011 O GLY A 66 7.813 3.437 7.840 1.00 1.62 O ATOM 0 H GLY A 66 5.696 0.132 9.167 1.00 0.94 H new ATOM 0 HA2 GLY A 66 6.520 1.948 10.211 1.00 0.93 H new ATOM 0 HA3 GLY A 66 8.115 1.634 9.555 1.00 0.93 H new ATOM 1015 N PHE A 67 5.589 3.007 7.872 1.00 0.71 N ATOM 1016 CA PHE A 67 5.074 4.259 7.331 1.00 0.64 C ATOM 1017 C PHE A 67 3.669 4.441 7.899 1.00 0.59 C ATOM 1018 O PHE A 67 3.143 3.494 8.480 1.00 0.63 O ATOM 1019 CB PHE A 67 4.993 4.193 5.808 1.00 0.52 C ATOM 1020 CG PHE A 67 6.282 3.805 5.125 1.00 0.55 C ATOM 1021 CD1 PHE A 67 7.310 4.751 4.975 1.00 1.60 C ATOM 1022 CD2 PHE A 67 6.446 2.504 4.622 1.00 1.98 C ATOM 1023 CE1 PHE A 67 8.432 4.443 4.195 1.00 1.61 C ATOM 1024 CE2 PHE A 67 7.547 2.210 3.807 1.00 2.11 C ATOM 1025 CZ PHE A 67 8.497 3.207 3.533 1.00 1.02 C ATOM 0 H PHE A 67 4.876 2.280 7.929 1.00 0.71 H new ATOM 0 HA PHE A 67 5.730 5.087 7.600 1.00 0.64 H new ATOM 0 HB2 PHE A 67 4.220 3.477 5.529 1.00 0.52 H new ATOM 0 HB3 PHE A 67 4.677 5.166 5.432 1.00 0.52 H new ATOM 0 HD1 PHE A 67 7.235 5.713 5.460 1.00 1.60 H new ATOM 0 HD2 PHE A 67 5.727 1.734 4.862 1.00 1.98 H new ATOM 0 HE1 PHE A 67 9.242 5.152 4.104 1.00 1.61 H new ATOM 0 HE2 PHE A 67 7.665 1.220 3.391 1.00 2.11 H new ATOM 0 HZ PHE A 67 9.279 3.022 2.812 1.00 1.02 H new ATOM 1035 N GLU A 68 3.036 5.602 7.695 1.00 0.64 N ATOM 1036 CA GLU A 68 1.645 5.791 8.059 1.00 0.64 C ATOM 1037 C GLU A 68 0.784 5.683 6.796 1.00 0.66 C ATOM 1038 O GLU A 68 0.706 6.656 6.045 1.00 0.73 O ATOM 1039 CB GLU A 68 1.468 7.174 8.684 1.00 0.75 C ATOM 1040 CG GLU A 68 1.998 7.287 10.117 1.00 1.04 C ATOM 1041 CD GLU A 68 1.509 8.593 10.713 1.00 1.62 C ATOM 1042 OE1 GLU A 68 0.315 8.651 11.086 1.00 2.51 O ATOM 1043 OE2 GLU A 68 2.220 9.610 10.600 1.00 2.50 O ATOM 0 H GLU A 68 3.475 6.422 7.277 1.00 0.64 H new ATOM 0 HA GLU A 68 1.341 5.031 8.778 1.00 0.64 H new ATOM 0 HB2 GLU A 68 1.977 7.910 8.061 1.00 0.75 H new ATOM 0 HB3 GLU A 68 0.408 7.430 8.679 1.00 0.75 H new ATOM 0 HG2 GLU A 68 1.651 6.445 10.716 1.00 1.04 H new ATOM 0 HG3 GLU A 68 3.087 7.254 10.121 1.00 1.04 H new ATOM 1050 N PRO A 69 0.118 4.548 6.535 1.00 0.64 N ATOM 1051 CA PRO A 69 -0.919 4.511 5.523 1.00 0.57 C ATOM 1052 C PRO A 69 -2.110 5.327 6.028 1.00 0.86 C ATOM 1053 O PRO A 69 -2.375 5.388 7.229 1.00 1.94 O ATOM 1054 CB PRO A 69 -1.257 3.035 5.337 1.00 0.50 C ATOM 1055 CG PRO A 69 -0.966 2.430 6.705 1.00 0.52 C ATOM 1056 CD PRO A 69 0.135 3.310 7.300 1.00 0.61 C ATOM 0 HA PRO A 69 -0.619 4.941 4.568 1.00 0.57 H new ATOM 0 HB2 PRO A 69 -2.299 2.895 5.049 1.00 0.50 H new ATOM 0 HB3 PRO A 69 -0.647 2.578 4.558 1.00 0.50 H new ATOM 0 HG2 PRO A 69 -1.856 2.431 7.335 1.00 0.52 H new ATOM 0 HG3 PRO A 69 -0.639 1.394 6.617 1.00 0.52 H new ATOM 0 HD2 PRO A 69 -0.048 3.502 8.357 1.00 0.61 H new ATOM 0 HD3 PRO A 69 1.106 2.821 7.229 1.00 0.61 H new ATOM 1064 N SER A 70 -2.814 6.015 5.132 1.00 0.53 N ATOM 1065 CA SER A 70 -3.990 6.796 5.458 1.00 0.58 C ATOM 1066 C SER A 70 -4.871 6.791 4.213 1.00 0.57 C ATOM 1067 O SER A 70 -4.486 7.345 3.183 1.00 0.59 O ATOM 1068 CB SER A 70 -3.566 8.212 5.879 1.00 0.77 C ATOM 1069 OG SER A 70 -2.783 8.165 7.068 1.00 1.78 O ATOM 0 H SER A 70 -2.573 6.041 4.141 1.00 0.53 H new ATOM 0 HA SER A 70 -4.548 6.381 6.298 1.00 0.58 H new ATOM 0 HB2 SER A 70 -2.994 8.680 5.078 1.00 0.77 H new ATOM 0 HB3 SER A 70 -4.449 8.829 6.042 1.00 0.77 H new ATOM 0 HG SER A 70 -2.672 7.233 7.350 1.00 1.78 H new ATOM 1075 N LEU A 71 -6.017 6.112 4.282 1.00 0.69 N ATOM 1076 CA LEU A 71 -6.981 6.104 3.194 1.00 0.89 C ATOM 1077 C LEU A 71 -7.452 7.532 2.919 1.00 1.12 C ATOM 1078 O LEU A 71 -7.560 8.355 3.827 1.00 2.19 O ATOM 1079 CB LEU A 71 -8.165 5.194 3.535 1.00 1.21 C ATOM 1080 CG LEU A 71 -7.829 3.696 3.465 1.00 1.75 C ATOM 1081 CD1 LEU A 71 -8.868 2.912 4.270 1.00 1.56 C ATOM 1082 CD2 LEU A 71 -7.853 3.188 2.017 1.00 3.72 C ATOM 0 H LEU A 71 -6.297 5.557 5.091 1.00 0.69 H new ATOM 0 HA LEU A 71 -6.506 5.711 2.295 1.00 0.89 H new ATOM 0 HB2 LEU A 71 -8.518 5.432 4.538 1.00 1.21 H new ATOM 0 HB3 LEU A 71 -8.985 5.406 2.849 1.00 1.21 H new ATOM 0 HG LEU A 71 -6.828 3.552 3.873 1.00 1.75 H new ATOM 0 HD11 LEU A 71 -8.636 1.848 4.225 1.00 1.56 H new ATOM 0 HD12 LEU A 71 -8.850 3.244 5.308 1.00 1.56 H new ATOM 0 HD13 LEU A 71 -9.859 3.085 3.851 1.00 1.56 H new ATOM 0 HD21 LEU A 71 -7.611 2.125 2.000 1.00 3.72 H new ATOM 0 HD22 LEU A 71 -8.846 3.341 1.594 1.00 3.72 H new ATOM 0 HD23 LEU A 71 -7.119 3.736 1.427 1.00 3.72 H new ATOM 1094 N VAL A 72 -7.646 7.819 1.633 1.00 1.14 N ATOM 1095 CA VAL A 72 -8.234 9.061 1.134 1.00 1.27 C ATOM 1096 C VAL A 72 -9.329 8.777 0.095 1.00 1.35 C ATOM 1097 O VAL A 72 -10.297 9.530 0.007 1.00 2.09 O ATOM 1098 CB VAL A 72 -7.130 9.990 0.592 1.00 1.80 C ATOM 1099 CG1 VAL A 72 -7.711 11.264 -0.040 1.00 2.57 C ATOM 1100 CG2 VAL A 72 -6.189 10.416 1.728 1.00 2.22 C ATOM 0 H VAL A 72 -7.390 7.173 0.886 1.00 1.14 H new ATOM 0 HA VAL A 72 -8.721 9.580 1.959 1.00 1.27 H new ATOM 0 HB VAL A 72 -6.591 9.426 -0.169 1.00 1.80 H new ATOM 0 HG11 VAL A 72 -6.899 11.890 -0.409 1.00 2.57 H new ATOM 0 HG12 VAL A 72 -8.365 10.993 -0.869 1.00 2.57 H new ATOM 0 HG13 VAL A 72 -8.282 11.814 0.708 1.00 2.57 H new ATOM 0 HG21 VAL A 72 -5.414 11.072 1.332 1.00 2.22 H new ATOM 0 HG22 VAL A 72 -6.758 10.946 2.492 1.00 2.22 H new ATOM 0 HG23 VAL A 72 -5.727 9.532 2.168 1.00 2.22 H new ATOM 1110 N LYS A 73 -9.192 7.720 -0.719 1.00 1.24 N ATOM 1111 CA LYS A 73 -10.154 7.367 -1.752 1.00 1.61 C ATOM 1112 C LYS A 73 -11.415 6.746 -1.126 1.00 2.95 C ATOM 1113 O LYS A 73 -11.702 5.573 -1.356 1.00 4.20 O ATOM 1114 CB LYS A 73 -9.446 6.432 -2.751 1.00 2.25 C ATOM 1115 CG LYS A 73 -10.227 6.146 -4.044 1.00 3.16 C ATOM 1116 CD LYS A 73 -10.327 7.389 -4.940 1.00 4.04 C ATOM 1117 CE LYS A 73 -10.977 7.025 -6.282 1.00 5.05 C ATOM 1118 NZ LYS A 73 -11.076 8.194 -7.181 1.00 6.20 N ATOM 0 H LYS A 73 -8.397 7.083 -0.671 1.00 1.24 H new ATOM 0 HA LYS A 73 -10.500 8.249 -2.290 1.00 1.61 H new ATOM 0 HB2 LYS A 73 -8.484 6.871 -3.016 1.00 2.25 H new ATOM 0 HB3 LYS A 73 -9.238 5.485 -2.253 1.00 2.25 H new ATOM 0 HG2 LYS A 73 -9.738 5.341 -4.593 1.00 3.16 H new ATOM 0 HG3 LYS A 73 -11.229 5.798 -3.793 1.00 3.16 H new ATOM 0 HD2 LYS A 73 -10.914 8.160 -4.441 1.00 4.04 H new ATOM 0 HD3 LYS A 73 -9.334 7.805 -5.110 1.00 4.04 H new ATOM 0 HE2 LYS A 73 -10.394 6.242 -6.767 1.00 5.05 H new ATOM 0 HE3 LYS A 73 -11.972 6.618 -6.105 1.00 5.05 H new ATOM 0 HZ1 LYS A 73 -11.520 7.907 -8.076 1.00 6.20 H new ATOM 0 HZ2 LYS A 73 -11.653 8.932 -6.729 1.00 6.20 H new ATOM 0 HZ3 LYS A 73 -10.124 8.567 -7.371 1.00 6.20 H new ATOM 1132 N ILE A 74 -12.169 7.563 -0.382 1.00 3.79 N ATOM 1133 CA ILE A 74 -13.327 7.194 0.428 1.00 5.65 C ATOM 1134 C ILE A 74 -12.860 6.451 1.692 1.00 6.67 C ATOM 1135 O ILE A 74 -12.076 5.509 1.592 1.00 6.99 O ATOM 1136 CB ILE A 74 -14.424 6.487 -0.413 1.00 6.83 C ATOM 1137 CG1 ILE A 74 -15.718 7.315 -0.511 1.00 7.96 C ATOM 1138 CG2 ILE A 74 -14.723 5.042 0.017 1.00 8.30 C ATOM 1139 CD1 ILE A 74 -16.451 7.536 0.816 1.00 9.34 C ATOM 0 H ILE A 74 -11.971 8.562 -0.329 1.00 3.79 H new ATOM 0 HA ILE A 74 -13.836 8.089 0.787 1.00 5.65 H new ATOM 0 HB ILE A 74 -13.991 6.417 -1.411 1.00 6.83 H new ATOM 0 HG12 ILE A 74 -15.477 8.287 -0.941 1.00 7.96 H new ATOM 0 HG13 ILE A 74 -16.397 6.819 -1.205 1.00 7.96 H new ATOM 0 HG21 ILE A 74 -15.500 4.625 -0.623 1.00 8.30 H new ATOM 0 HG22 ILE A 74 -13.818 4.441 -0.073 1.00 8.30 H new ATOM 0 HG23 ILE A 74 -15.063 5.033 1.053 1.00 8.30 H new ATOM 0 HD11 ILE A 74 -17.348 8.129 0.641 1.00 9.34 H new ATOM 0 HD12 ILE A 74 -16.730 6.572 1.242 1.00 9.34 H new ATOM 0 HD13 ILE A 74 -15.796 8.064 1.510 1.00 9.34 H new ATOM 1151 N GLU A 75 -13.335 6.904 2.859 1.00 7.84 N ATOM 1152 CA GLU A 75 -12.915 6.493 4.190 1.00 9.37 C ATOM 1153 C GLU A 75 -11.406 6.242 4.313 1.00 9.89 C ATOM 1154 O GLU A 75 -11.039 5.248 4.980 1.00 11.22 O ATOM 1155 CB GLU A 75 -13.788 5.328 4.678 1.00 10.41 C ATOM 1156 CG GLU A 75 -15.290 5.540 4.396 1.00 10.62 C ATOM 1157 CD GLU A 75 -15.786 6.925 4.797 1.00 10.95 C ATOM 1158 OE1 GLU A 75 -15.627 7.844 3.961 1.00 10.40 O ATOM 1159 OE2 GLU A 75 -16.315 7.037 5.923 1.00 12.11 O ATOM 1160 OXT GLU A 75 -10.643 7.078 3.776 1.00 9.37 O ATOM 0 H GLU A 75 -14.069 7.612 2.893 1.00 7.84 H new ATOM 0 HA GLU A 75 -13.080 7.331 4.867 1.00 9.37 H new ATOM 0 HB2 GLU A 75 -13.460 4.408 4.194 1.00 10.41 H new ATOM 0 HB3 GLU A 75 -13.641 5.195 5.750 1.00 10.41 H new ATOM 0 HG2 GLU A 75 -15.479 5.387 3.333 1.00 10.62 H new ATOM 0 HG3 GLU A 75 -15.864 4.786 4.934 1.00 10.62 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.285 6.806 1.257 1.00 0.81 CU