USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 62 LYS NZ :NH3+ -167:sc= 2.39 (180deg=1.18) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 1.1 USER MOD Set 2.1: A 26 GLN : amide:sc= 0.674 K(o=1.4,f=-1.7) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 142:sc= 0.746 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 27:sc= 0.0323 USER MOD Single : A 5 ASN : amide:sc= -0.996 K(o=-1,f=-0.43) USER MOD Single : A 14 ASN : amide:sc= 0.43 K(o=0.43,f=-0.21) USER MOD Single : A 16 HIS : no HD1:sc= 0.979 K(o=0.98,f=-5.6!) USER MOD Single : A 20 THR OG1 : rot 59:sc= 0.437 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.961 K(o=-0.96,f=-2.4!) USER MOD Single : A 33 ASN : amide:sc=-0.00358 K(o=-0.0036,f=-1.1) USER MOD Single : A 36 SER OG : rot -105:sc= 1.46 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0.57) USER MOD Single : A 41 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-0.79) USER MOD Single : A 52 THR OG1 : rot 65:sc= 0.431 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.062) USER MOD Single : A 56 HIS : no HE2:sc= -2.01 K(o=-2,f=-3.1!) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.846) USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.11) USER MOD Single : A 70 ASN : amide:sc=-0.000185 X(o=-0.00018,f=-0.00097) USER MOD Single : A 75 MET CE :methyl -168:sc= -0.0197 (180deg=-0.233) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= 1.33 (180deg=1.16) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.09) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 2.45 (180deg=2.36) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= -0.0692 (180deg=-0.412) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 -4.864 5.439 10.862 1.00 0.54 N ATOM 29 CA THR A 3 -3.877 4.384 10.718 1.00 0.49 C ATOM 30 C THR A 3 -4.498 3.000 10.937 1.00 0.44 C ATOM 31 O THR A 3 -5.043 2.711 12.006 1.00 0.46 O ATOM 32 CB THR A 3 -2.717 4.600 11.717 1.00 0.50 C ATOM 33 OG1 THR A 3 -2.031 5.824 11.389 1.00 0.75 O ATOM 34 CG2 THR A 3 -1.732 3.418 11.697 1.00 0.62 C ATOM 0 HA THR A 3 -3.493 4.426 9.699 1.00 0.49 H new ATOM 0 HB THR A 3 -3.132 4.666 12.723 1.00 0.50 H new ATOM 0 HG1 THR A 3 -2.650 6.435 10.938 1.00 0.75 H new ATOM 0 HG21 THR A 3 -0.929 3.602 12.410 1.00 0.62 H new ATOM 0 HG22 THR A 3 -2.257 2.502 11.969 1.00 0.62 H new ATOM 0 HG23 THR A 3 -1.312 3.312 10.697 1.00 0.62 H new ATOM 42 N ARG A 4 -4.446 2.147 9.911 1.00 0.42 N ATOM 43 CA ARG A 4 -4.984 0.803 10.031 1.00 0.40 C ATOM 44 C ARG A 4 -3.868 -0.235 9.967 1.00 0.40 C ATOM 45 O ARG A 4 -2.975 -0.198 9.106 1.00 0.43 O ATOM 46 CB ARG A 4 -6.061 0.512 8.970 1.00 0.40 C ATOM 47 CG ARG A 4 -5.735 0.991 7.563 1.00 0.37 C ATOM 48 CD ARG A 4 -6.780 0.500 6.565 1.00 0.39 C ATOM 49 NE ARG A 4 -6.672 1.158 5.258 1.00 0.36 N ATOM 50 CZ ARG A 4 -7.555 0.999 4.261 1.00 0.36 C ATOM 51 NH1 ARG A 4 -8.578 0.158 4.387 1.00 0.38 N ATOM 52 NH2 ARG A 4 -7.402 1.678 3.127 1.00 0.40 N ATOM 0 H ARG A 4 -4.041 2.366 9.001 1.00 0.42 H new ATOM 0 HA ARG A 4 -5.466 0.736 11.006 1.00 0.40 H new ATOM 0 HB2 ARG A 4 -6.235 -0.564 8.939 1.00 0.40 H new ATOM 0 HB3 ARG A 4 -6.995 0.977 9.287 1.00 0.40 H new ATOM 0 HG2 ARG A 4 -5.693 2.080 7.546 1.00 0.37 H new ATOM 0 HG3 ARG A 4 -4.749 0.630 7.271 1.00 0.37 H new ATOM 0 HD2 ARG A 4 -6.673 -0.577 6.434 1.00 0.39 H new ATOM 0 HD3 ARG A 4 -7.776 0.674 6.973 1.00 0.39 H new ATOM 0 HE ARG A 4 -5.876 1.775 5.098 1.00 0.36 H new ATOM 0 HH11 ARG A 4 -8.697 -0.374 5.249 1.00 0.38 H new ATOM 0 HH12 ARG A 4 -9.243 0.046 3.622 1.00 0.38 H new ATOM 0 HH21 ARG A 4 -6.615 2.317 3.018 1.00 0.40 H new ATOM 0 HH22 ARG A 4 -8.072 1.559 2.367 1.00 0.40 H new ATOM 66 N ASN A 5 -3.895 -1.152 10.907 1.00 0.39 N ATOM 67 CA ASN A 5 -2.886 -2.186 10.957 1.00 0.40 C ATOM 68 C ASN A 5 -3.272 -3.329 10.044 1.00 0.37 C ATOM 69 O ASN A 5 -4.442 -3.490 9.703 1.00 0.37 O ATOM 70 CB ASN A 5 -2.677 -2.693 12.388 1.00 0.43 C ATOM 71 CG ASN A 5 -2.778 -1.590 13.426 1.00 0.47 C ATOM 72 OD1 ASN A 5 -1.782 -0.963 13.787 1.00 0.55 O ATOM 73 ND2 ASN A 5 -3.985 -1.347 13.918 1.00 0.53 N ATOM 0 H ASN A 5 -4.599 -1.204 11.643 1.00 0.39 H new ATOM 0 HA ASN A 5 -1.944 -1.758 10.616 1.00 0.40 H new ATOM 0 HB2 ASN A 5 -3.419 -3.461 12.608 1.00 0.43 H new ATOM 0 HB3 ASN A 5 -1.697 -3.165 12.461 1.00 0.43 H new ATOM 0 HD21 ASN A 5 -4.112 -0.619 14.621 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -4.786 -1.888 13.594 1.00 0.53 H new ATOM 80 N PHE A 6 -2.295 -4.114 9.643 1.00 0.36 N ATOM 81 CA PHE A 6 -2.537 -5.235 8.758 1.00 0.34 C ATOM 82 C PHE A 6 -1.838 -6.474 9.312 1.00 0.35 C ATOM 83 O PHE A 6 -0.683 -6.402 9.728 1.00 0.37 O ATOM 84 CB PHE A 6 -2.046 -4.887 7.340 1.00 0.33 C ATOM 85 CG PHE A 6 -2.927 -3.889 6.615 1.00 0.33 C ATOM 86 CD1 PHE A 6 -4.007 -4.331 5.866 1.00 0.32 C ATOM 87 CD2 PHE A 6 -2.685 -2.512 6.675 1.00 0.34 C ATOM 88 CE1 PHE A 6 -4.820 -3.439 5.198 1.00 0.33 C ATOM 89 CE2 PHE A 6 -3.502 -1.625 6.004 1.00 0.35 C ATOM 90 CZ PHE A 6 -4.567 -2.086 5.267 1.00 0.34 C ATOM 0 H PHE A 6 -1.320 -3.996 9.917 1.00 0.36 H new ATOM 0 HA PHE A 6 -3.604 -5.448 8.698 1.00 0.34 H new ATOM 0 HB2 PHE A 6 -1.035 -4.485 7.404 1.00 0.33 H new ATOM 0 HB3 PHE A 6 -1.989 -5.802 6.751 1.00 0.33 H new ATOM 0 HD1 PHE A 6 -4.215 -5.389 5.805 1.00 0.32 H new ATOM 0 HD2 PHE A 6 -1.851 -2.140 7.252 1.00 0.34 H new ATOM 0 HE1 PHE A 6 -5.657 -3.802 4.620 1.00 0.33 H new ATOM 0 HE2 PHE A 6 -3.304 -0.565 6.058 1.00 0.35 H new ATOM 0 HZ PHE A 6 -5.204 -1.389 4.743 1.00 0.34 H new ATOM 100 N VAL A 7 -2.533 -7.603 9.317 1.00 0.34 N ATOM 101 CA VAL A 7 -1.977 -8.837 9.870 1.00 0.36 C ATOM 102 C VAL A 7 -1.797 -9.878 8.776 1.00 0.35 C ATOM 103 O VAL A 7 -2.764 -10.504 8.339 1.00 0.33 O ATOM 104 CB VAL A 7 -2.879 -9.425 10.987 1.00 0.38 C ATOM 105 CG1 VAL A 7 -2.002 -9.969 12.131 1.00 0.42 C ATOM 106 CG2 VAL A 7 -3.852 -8.350 11.535 1.00 0.40 C ATOM 0 H VAL A 7 -3.479 -7.693 8.947 1.00 0.34 H new ATOM 0 HA VAL A 7 -1.009 -8.585 10.303 1.00 0.36 H new ATOM 0 HB VAL A 7 -3.469 -10.237 10.562 1.00 0.38 H new ATOM 0 HG11 VAL A 7 -2.639 -10.381 12.914 1.00 0.42 H new ATOM 0 HG12 VAL A 7 -1.347 -10.751 11.747 1.00 0.42 H new ATOM 0 HG13 VAL A 7 -1.398 -9.160 12.543 1.00 0.42 H new ATOM 0 HG21 VAL A 7 -4.474 -8.787 12.317 1.00 0.40 H new ATOM 0 HG22 VAL A 7 -3.281 -7.519 11.948 1.00 0.40 H new ATOM 0 HG23 VAL A 7 -4.487 -7.988 10.726 1.00 0.40 H new ATOM 116 N LEU A 8 -0.553 -10.064 8.358 1.00 0.37 N ATOM 117 CA LEU A 8 -0.216 -11.008 7.288 1.00 0.37 C ATOM 118 C LEU A 8 -0.427 -12.459 7.717 1.00 0.38 C ATOM 119 O LEU A 8 0.042 -12.885 8.774 1.00 0.41 O ATOM 120 CB LEU A 8 1.241 -10.806 6.840 1.00 0.40 C ATOM 121 CG LEU A 8 1.738 -11.774 5.761 1.00 0.42 C ATOM 122 CD1 LEU A 8 1.492 -11.214 4.372 1.00 0.47 C ATOM 123 CD2 LEU A 8 3.214 -12.073 5.956 1.00 0.66 C ATOM 0 H LEU A 8 0.251 -9.570 8.745 1.00 0.37 H new ATOM 0 HA LEU A 8 -0.888 -10.806 6.454 1.00 0.37 H new ATOM 0 HB2 LEU A 8 1.351 -9.787 6.468 1.00 0.40 H new ATOM 0 HB3 LEU A 8 1.888 -10.899 7.713 1.00 0.40 H new ATOM 0 HG LEU A 8 1.177 -12.703 5.857 1.00 0.42 H new ATOM 0 HD11 LEU A 8 1.854 -11.921 3.625 1.00 0.47 H new ATOM 0 HD12 LEU A 8 0.424 -11.051 4.229 1.00 0.47 H new ATOM 0 HD13 LEU A 8 2.021 -10.267 4.262 1.00 0.47 H new ATOM 0 HD21 LEU A 8 3.551 -12.762 5.181 1.00 0.66 H new ATOM 0 HD22 LEU A 8 3.785 -11.147 5.891 1.00 0.66 H new ATOM 0 HD23 LEU A 8 3.367 -12.525 6.936 1.00 0.66 H new ATOM 135 N ARG A 9 -1.123 -13.211 6.879 1.00 0.37 N ATOM 136 CA ARG A 9 -1.380 -14.616 7.142 1.00 0.39 C ATOM 137 C ARG A 9 -0.590 -15.461 6.155 1.00 0.41 C ATOM 138 O ARG A 9 -0.314 -15.013 5.046 1.00 0.42 O ATOM 139 CB ARG A 9 -2.882 -14.925 7.041 1.00 0.39 C ATOM 140 CG ARG A 9 -3.201 -16.316 6.504 1.00 0.44 C ATOM 141 CD ARG A 9 -4.634 -16.719 6.803 1.00 0.45 C ATOM 142 NE ARG A 9 -4.842 -16.976 8.229 1.00 0.50 N ATOM 143 CZ ARG A 9 -6.014 -16.850 8.846 1.00 0.57 C ATOM 144 NH1 ARG A 9 -7.082 -16.444 8.168 1.00 0.68 N ATOM 145 NH2 ARG A 9 -6.116 -17.132 10.140 1.00 0.64 N ATOM 0 H ARG A 9 -1.522 -12.868 6.005 1.00 0.37 H new ATOM 0 HA ARG A 9 -1.062 -14.855 8.157 1.00 0.39 H new ATOM 0 HB2 ARG A 9 -3.330 -14.818 8.029 1.00 0.39 H new ATOM 0 HB3 ARG A 9 -3.351 -14.183 6.396 1.00 0.39 H new ATOM 0 HG2 ARG A 9 -3.034 -16.337 5.427 1.00 0.44 H new ATOM 0 HG3 ARG A 9 -2.519 -17.042 6.947 1.00 0.44 H new ATOM 0 HD2 ARG A 9 -5.309 -15.929 6.474 1.00 0.45 H new ATOM 0 HD3 ARG A 9 -4.887 -17.613 6.232 1.00 0.45 H new ATOM 0 HE ARG A 9 -4.038 -17.270 8.784 1.00 0.50 H new ATOM 0 HH11 ARG A 9 -7.004 -16.229 7.174 1.00 0.68 H new ATOM 0 HH12 ARG A 9 -7.980 -16.348 8.641 1.00 0.68 H new ATOM 0 HH21 ARG A 9 -5.296 -17.445 10.660 1.00 0.64 H new ATOM 0 HH22 ARG A 9 -7.014 -17.036 10.614 1.00 0.64 H new ATOM 159 N ASP A 10 -0.208 -16.662 6.565 1.00 0.43 N ATOM 160 CA ASP A 10 0.540 -17.566 5.694 1.00 0.45 C ATOM 161 C ASP A 10 -0.398 -18.287 4.746 1.00 0.46 C ATOM 162 O ASP A 10 -1.186 -17.657 4.038 1.00 0.43 O ATOM 163 CB ASP A 10 1.344 -18.564 6.533 1.00 0.51 C ATOM 164 CG ASP A 10 2.520 -19.162 5.783 1.00 0.52 C ATOM 165 OD1 ASP A 10 3.542 -18.463 5.623 1.00 0.65 O ATOM 166 OD2 ASP A 10 2.433 -20.342 5.378 1.00 0.60 O ATOM 0 H ASP A 10 -0.402 -17.036 7.494 1.00 0.43 H new ATOM 0 HA ASP A 10 1.238 -16.980 5.096 1.00 0.45 H new ATOM 0 HB2 ASP A 10 1.709 -18.064 7.430 1.00 0.51 H new ATOM 0 HB3 ASP A 10 0.684 -19.367 6.862 1.00 0.51 H new ATOM 171 N GLU A 11 -0.338 -19.595 4.742 1.00 0.50 N ATOM 172 CA GLU A 11 -1.169 -20.355 3.846 1.00 0.53 C ATOM 173 C GLU A 11 -1.956 -21.415 4.612 1.00 0.58 C ATOM 174 O GLU A 11 -3.069 -21.771 4.240 1.00 0.61 O ATOM 175 CB GLU A 11 -0.297 -20.984 2.767 1.00 0.54 C ATOM 176 CG GLU A 11 -0.831 -20.802 1.356 1.00 0.58 C ATOM 177 CD GLU A 11 -2.139 -21.527 1.126 1.00 0.67 C ATOM 178 OE1 GLU A 11 -2.106 -22.734 0.810 1.00 0.93 O ATOM 179 OE2 GLU A 11 -3.207 -20.894 1.254 1.00 0.66 O ATOM 0 H GLU A 11 0.271 -20.150 5.343 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.893 -19.693 3.371 1.00 0.53 H new ATOM 0 HB2 GLU A 11 0.702 -20.552 2.825 1.00 0.54 H new ATOM 0 HB3 GLU A 11 -0.196 -22.050 2.972 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -0.971 -19.739 1.160 1.00 0.58 H new ATOM 0 HG3 GLU A 11 -0.090 -21.163 0.643 1.00 0.58 H new ATOM 186 N ASP A 12 -1.381 -21.881 5.709 1.00 0.62 N ATOM 187 CA ASP A 12 -2.008 -22.906 6.541 1.00 0.69 C ATOM 188 C ASP A 12 -2.873 -22.293 7.643 1.00 0.66 C ATOM 189 O ASP A 12 -3.364 -22.999 8.525 1.00 0.69 O ATOM 190 CB ASP A 12 -0.935 -23.789 7.175 1.00 0.78 C ATOM 191 CG ASP A 12 0.201 -22.977 7.768 1.00 0.77 C ATOM 192 OD1 ASP A 12 -0.076 -21.935 8.398 1.00 0.72 O ATOM 193 OD2 ASP A 12 1.375 -23.366 7.590 1.00 0.98 O ATOM 0 H ASP A 12 -0.473 -21.565 6.050 1.00 0.62 H new ATOM 0 HA ASP A 12 -2.653 -23.503 5.896 1.00 0.69 H new ATOM 0 HB2 ASP A 12 -1.386 -24.402 7.955 1.00 0.78 H new ATOM 0 HB3 ASP A 12 -0.538 -24.471 6.423 1.00 0.78 H new ATOM 198 N GLY A 13 -3.057 -20.985 7.584 1.00 0.61 N ATOM 199 CA GLY A 13 -3.857 -20.303 8.581 1.00 0.60 C ATOM 200 C GLY A 13 -3.008 -19.598 9.621 1.00 0.58 C ATOM 201 O GLY A 13 -3.480 -18.676 10.287 1.00 0.62 O ATOM 0 H GLY A 13 -2.666 -20.380 6.862 1.00 0.61 H new ATOM 0 HA2 GLY A 13 -4.503 -19.575 8.089 1.00 0.60 H new ATOM 0 HA3 GLY A 13 -4.508 -21.024 9.076 1.00 0.60 H new ATOM 205 N ASN A 14 -1.750 -20.005 9.727 1.00 0.59 N ATOM 206 CA ASN A 14 -0.838 -19.404 10.698 1.00 0.60 C ATOM 207 C ASN A 14 -0.518 -17.977 10.281 1.00 0.55 C ATOM 208 O ASN A 14 -0.064 -17.733 9.163 1.00 0.55 O ATOM 209 CB ASN A 14 0.461 -20.211 10.837 1.00 0.65 C ATOM 210 CG ASN A 14 0.274 -21.495 11.638 1.00 0.71 C ATOM 211 OD1 ASN A 14 0.481 -21.511 12.848 1.00 0.86 O ATOM 212 ND2 ASN A 14 -0.121 -22.579 10.978 1.00 0.80 N ATOM 0 H ASN A 14 -1.337 -20.744 9.158 1.00 0.59 H new ATOM 0 HA ASN A 14 -1.333 -19.406 11.669 1.00 0.60 H new ATOM 0 HB2 ASN A 14 0.838 -20.458 9.845 1.00 0.65 H new ATOM 0 HB3 ASN A 14 1.218 -19.593 11.320 1.00 0.65 H new ATOM 0 HD21 ASN A 14 -0.261 -23.457 11.477 1.00 0.80 H new ATOM 0 HD22 ASN A 14 -0.284 -22.532 9.972 1.00 0.80 H new ATOM 219 N GLU A 15 -0.775 -17.028 11.157 1.00 0.54 N ATOM 220 CA GLU A 15 -0.503 -15.640 10.848 1.00 0.52 C ATOM 221 C GLU A 15 0.890 -15.273 11.314 1.00 0.52 C ATOM 222 O GLU A 15 1.376 -15.792 12.321 1.00 0.56 O ATOM 223 CB GLU A 15 -1.547 -14.719 11.474 1.00 0.53 C ATOM 224 CG GLU A 15 -1.718 -14.907 12.977 1.00 0.55 C ATOM 225 CD GLU A 15 -2.890 -15.804 13.308 1.00 0.76 C ATOM 226 OE1 GLU A 15 -2.732 -17.041 13.258 1.00 1.49 O ATOM 227 OE2 GLU A 15 -3.983 -15.274 13.598 1.00 1.08 O ATOM 0 H GLU A 15 -1.170 -17.191 12.083 1.00 0.54 H new ATOM 0 HA GLU A 15 -0.559 -15.509 9.767 1.00 0.52 H new ATOM 0 HB2 GLU A 15 -1.268 -13.684 11.277 1.00 0.53 H new ATOM 0 HB3 GLU A 15 -2.506 -14.889 10.985 1.00 0.53 H new ATOM 0 HG2 GLU A 15 -0.806 -15.334 13.395 1.00 0.55 H new ATOM 0 HG3 GLU A 15 -1.861 -13.935 13.450 1.00 0.55 H new ATOM 234 N HIS A 16 1.548 -14.416 10.553 1.00 0.51 N ATOM 235 CA HIS A 16 2.891 -13.978 10.884 1.00 0.54 C ATOM 236 C HIS A 16 2.865 -12.740 11.772 1.00 0.52 C ATOM 237 O HIS A 16 2.207 -12.724 12.812 1.00 0.57 O ATOM 238 CB HIS A 16 3.680 -13.703 9.601 1.00 0.58 C ATOM 239 CG HIS A 16 4.016 -14.941 8.832 1.00 0.66 C ATOM 240 ND1 HIS A 16 5.160 -15.673 9.052 1.00 0.88 N ATOM 241 CD2 HIS A 16 3.344 -15.582 7.845 1.00 0.73 C ATOM 242 CE1 HIS A 16 5.181 -16.709 8.236 1.00 0.95 C ATOM 243 NE2 HIS A 16 4.092 -16.677 7.494 1.00 0.82 N ATOM 0 H HIS A 16 1.171 -14.008 9.697 1.00 0.51 H new ATOM 0 HA HIS A 16 3.384 -14.774 11.442 1.00 0.54 H new ATOM 0 HB2 HIS A 16 3.101 -13.035 8.964 1.00 0.58 H new ATOM 0 HB3 HIS A 16 4.602 -13.181 9.856 1.00 0.58 H new ATOM 0 HD2 HIS A 16 2.398 -15.286 7.416 1.00 0.73 H new ATOM 0 HE1 HIS A 16 5.959 -17.457 8.185 1.00 0.95 H new ATOM 0 HE2 HIS A 16 3.845 -17.357 6.775 1.00 0.82 H new ATOM 252 N GLY A 17 3.571 -11.704 11.354 1.00 0.51 N ATOM 253 CA GLY A 17 3.620 -10.487 12.127 1.00 0.54 C ATOM 254 C GLY A 17 2.457 -9.575 11.822 1.00 0.50 C ATOM 255 O GLY A 17 1.508 -9.958 11.129 1.00 0.48 O ATOM 0 H GLY A 17 4.112 -11.686 10.490 1.00 0.51 H new ATOM 0 HA2 GLY A 17 3.619 -10.732 13.189 1.00 0.54 H new ATOM 0 HA3 GLY A 17 4.554 -9.964 11.921 1.00 0.54 H new ATOM 259 N VAL A 18 2.551 -8.360 12.314 1.00 0.51 N ATOM 260 CA VAL A 18 1.499 -7.382 12.121 1.00 0.49 C ATOM 261 C VAL A 18 2.092 -6.024 11.773 1.00 0.49 C ATOM 262 O VAL A 18 2.968 -5.510 12.472 1.00 0.51 O ATOM 263 CB VAL A 18 0.585 -7.265 13.370 1.00 0.51 C ATOM 264 CG1 VAL A 18 1.411 -7.140 14.648 1.00 0.57 C ATOM 265 CG2 VAL A 18 -0.368 -6.073 13.233 1.00 0.51 C ATOM 0 H VAL A 18 3.348 -8.023 12.853 1.00 0.51 H new ATOM 0 HA VAL A 18 0.882 -7.725 11.290 1.00 0.49 H new ATOM 0 HB VAL A 18 -0.006 -8.178 13.436 1.00 0.51 H new ATOM 0 HG11 VAL A 18 0.744 -7.060 15.506 1.00 0.57 H new ATOM 0 HG12 VAL A 18 2.043 -8.021 14.761 1.00 0.57 H new ATOM 0 HG13 VAL A 18 2.037 -6.250 14.591 1.00 0.57 H new ATOM 0 HG21 VAL A 18 -1.000 -6.009 14.119 1.00 0.51 H new ATOM 0 HG22 VAL A 18 0.210 -5.155 13.132 1.00 0.51 H new ATOM 0 HG23 VAL A 18 -0.993 -6.207 12.350 1.00 0.51 H new ATOM 275 N PHE A 19 1.631 -5.462 10.667 1.00 0.47 N ATOM 276 CA PHE A 19 2.100 -4.170 10.218 1.00 0.48 C ATOM 277 C PHE A 19 1.320 -3.059 10.906 1.00 0.47 C ATOM 278 O PHE A 19 0.327 -3.314 11.586 1.00 0.47 O ATOM 279 CB PHE A 19 1.941 -4.038 8.699 1.00 0.47 C ATOM 280 CG PHE A 19 2.746 -5.029 7.903 1.00 0.48 C ATOM 281 CD1 PHE A 19 4.116 -4.875 7.763 1.00 0.51 C ATOM 282 CD2 PHE A 19 2.130 -6.114 7.294 1.00 0.52 C ATOM 283 CE1 PHE A 19 4.860 -5.784 7.031 1.00 0.56 C ATOM 284 CE2 PHE A 19 2.868 -7.028 6.562 1.00 0.56 C ATOM 285 CZ PHE A 19 4.236 -6.862 6.431 1.00 0.56 C ATOM 0 H PHE A 19 0.928 -5.888 10.063 1.00 0.47 H new ATOM 0 HA PHE A 19 3.156 -4.083 10.474 1.00 0.48 H new ATOM 0 HB2 PHE A 19 0.888 -4.155 8.444 1.00 0.47 H new ATOM 0 HB3 PHE A 19 2.231 -3.030 8.401 1.00 0.47 H new ATOM 0 HD1 PHE A 19 4.609 -4.036 8.231 1.00 0.51 H new ATOM 0 HD2 PHE A 19 1.063 -6.246 7.393 1.00 0.52 H new ATOM 0 HE1 PHE A 19 5.927 -5.651 6.929 1.00 0.56 H new ATOM 0 HE2 PHE A 19 2.378 -7.869 6.094 1.00 0.56 H new ATOM 0 HZ PHE A 19 4.815 -7.573 5.861 1.00 0.56 H new ATOM 295 N THR A 20 1.743 -1.832 10.675 1.00 0.47 N ATOM 296 CA THR A 20 1.112 -0.657 11.262 1.00 0.47 C ATOM 297 C THR A 20 1.094 0.440 10.198 1.00 0.47 C ATOM 298 O THR A 20 1.591 1.544 10.419 1.00 0.47 O ATOM 299 CB THR A 20 1.913 -0.148 12.508 1.00 0.49 C ATOM 300 OG1 THR A 20 3.238 0.218 12.100 1.00 0.51 O ATOM 301 CG2 THR A 20 2.030 -1.194 13.628 1.00 0.51 C ATOM 0 H THR A 20 2.537 -1.616 10.073 1.00 0.47 H new ATOM 0 HA THR A 20 0.104 -0.912 11.590 1.00 0.47 H new ATOM 0 HB THR A 20 1.359 0.702 12.906 1.00 0.49 H new ATOM 0 HG1 THR A 20 3.188 0.917 11.415 1.00 0.51 H new ATOM 0 HG21 THR A 20 2.596 -0.775 14.460 1.00 0.51 H new ATOM 0 HG22 THR A 20 1.034 -1.472 13.971 1.00 0.51 H new ATOM 0 HG23 THR A 20 2.543 -2.078 13.248 1.00 0.51 H new ATOM 309 N GLY A 21 0.520 0.137 9.030 1.00 0.48 N ATOM 310 CA GLY A 21 0.529 1.092 7.943 1.00 0.51 C ATOM 311 C GLY A 21 -0.802 1.733 7.697 1.00 0.46 C ATOM 312 O GLY A 21 -1.583 1.935 8.622 1.00 0.50 O ATOM 0 H GLY A 21 0.054 -0.747 8.825 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.263 1.869 8.159 1.00 0.51 H new ATOM 0 HA3 GLY A 21 0.855 0.590 7.032 1.00 0.51 H new ATOM 316 N LYS A 22 -1.034 2.100 6.453 1.00 0.40 N ATOM 317 CA LYS A 22 -2.275 2.748 6.101 1.00 0.38 C ATOM 318 C LYS A 22 -2.728 2.421 4.684 1.00 0.36 C ATOM 319 O LYS A 22 -3.697 1.684 4.492 1.00 0.42 O ATOM 320 CB LYS A 22 -2.095 4.259 6.258 1.00 0.45 C ATOM 321 CG LYS A 22 -2.160 4.757 7.695 1.00 0.90 C ATOM 322 CD LYS A 22 -1.005 5.699 8.026 1.00 1.62 C ATOM 323 CE LYS A 22 0.331 4.962 8.111 1.00 1.99 C ATOM 324 NZ LYS A 22 1.499 5.879 7.967 1.00 2.07 N ATOM 0 H LYS A 22 -0.385 1.961 5.678 1.00 0.40 H new ATOM 0 HA LYS A 22 -3.053 2.377 6.769 1.00 0.38 H new ATOM 0 HB2 LYS A 22 -1.133 4.544 5.831 1.00 0.45 H new ATOM 0 HB3 LYS A 22 -2.865 4.766 5.676 1.00 0.45 H new ATOM 0 HG2 LYS A 22 -3.106 5.273 7.858 1.00 0.90 H new ATOM 0 HG3 LYS A 22 -2.140 3.906 8.375 1.00 0.90 H new ATOM 0 HD2 LYS A 22 -0.942 6.476 7.264 1.00 1.62 H new ATOM 0 HD3 LYS A 22 -1.205 6.197 8.975 1.00 1.62 H new ATOM 0 HE2 LYS A 22 0.396 4.443 9.067 1.00 1.99 H new ATOM 0 HE3 LYS A 22 0.373 4.201 7.332 1.00 1.99 H new ATOM 0 HZ1 LYS A 22 2.381 5.331 8.032 1.00 2.07 H new ATOM 0 HZ2 LYS A 22 1.454 6.356 7.044 1.00 2.07 H new ATOM 0 HZ3 LYS A 22 1.477 6.591 8.725 1.00 2.07 H new ATOM 338 N GLN A 23 -2.043 2.982 3.698 1.00 0.30 N ATOM 339 CA GLN A 23 -2.407 2.763 2.303 1.00 0.31 C ATOM 340 C GLN A 23 -2.107 1.341 1.845 1.00 0.29 C ATOM 341 O GLN A 23 -0.978 0.862 1.960 1.00 0.31 O ATOM 342 CB GLN A 23 -1.711 3.777 1.398 1.00 0.33 C ATOM 343 CG GLN A 23 -2.680 4.763 0.762 1.00 0.62 C ATOM 344 CD GLN A 23 -3.834 5.121 1.687 1.00 0.42 C ATOM 345 OE1 GLN A 23 -4.873 4.456 1.701 1.00 0.57 O ATOM 346 NE2 GLN A 23 -3.659 6.174 2.467 1.00 0.44 N ATOM 0 H GLN A 23 -1.235 3.590 3.835 1.00 0.30 H new ATOM 0 HA GLN A 23 -3.485 2.905 2.227 1.00 0.31 H new ATOM 0 HB2 GLN A 23 -0.970 4.326 1.978 1.00 0.33 H new ATOM 0 HB3 GLN A 23 -1.172 3.247 0.613 1.00 0.33 H new ATOM 0 HG2 GLN A 23 -2.143 5.671 0.488 1.00 0.62 H new ATOM 0 HG3 GLN A 23 -3.076 4.336 -0.160 1.00 0.62 H new ATOM 0 HE21 GLN A 23 -2.785 6.699 2.427 1.00 0.44 H new ATOM 0 HE22 GLN A 23 -4.398 6.461 3.109 1.00 0.44 H new ATOM 355 N PRO A 24 -3.137 0.652 1.316 1.00 0.27 N ATOM 356 CA PRO A 24 -3.029 -0.731 0.830 1.00 0.27 C ATOM 357 C PRO A 24 -1.933 -0.923 -0.215 1.00 0.26 C ATOM 358 O PRO A 24 -1.332 -1.995 -0.297 1.00 0.26 O ATOM 359 CB PRO A 24 -4.406 -0.998 0.207 1.00 0.28 C ATOM 360 CG PRO A 24 -5.321 -0.067 0.903 1.00 0.29 C ATOM 361 CD PRO A 24 -4.515 1.170 1.175 1.00 0.29 C ATOM 0 HA PRO A 24 -2.761 -1.412 1.637 1.00 0.27 H new ATOM 0 HB2 PRO A 24 -4.397 -0.815 -0.867 1.00 0.28 H new ATOM 0 HB3 PRO A 24 -4.711 -2.034 0.351 1.00 0.28 H new ATOM 0 HG2 PRO A 24 -6.191 0.160 0.287 1.00 0.29 H new ATOM 0 HG3 PRO A 24 -5.693 -0.504 1.830 1.00 0.29 H new ATOM 0 HD2 PRO A 24 -4.593 1.889 0.359 1.00 0.29 H new ATOM 0 HD3 PRO A 24 -4.849 1.677 2.080 1.00 0.29 H new ATOM 369 N ARG A 25 -1.668 0.120 -0.994 1.00 0.27 N ATOM 370 CA ARG A 25 -0.652 0.061 -2.041 1.00 0.28 C ATOM 371 C ARG A 25 0.729 -0.251 -1.459 1.00 0.29 C ATOM 372 O ARG A 25 1.431 -1.124 -1.967 1.00 0.30 O ATOM 373 CB ARG A 25 -0.621 1.370 -2.841 1.00 0.30 C ATOM 374 CG ARG A 25 -1.986 1.766 -3.406 1.00 0.35 C ATOM 375 CD ARG A 25 -1.880 2.433 -4.773 1.00 0.39 C ATOM 376 NE ARG A 25 -1.514 3.847 -4.677 1.00 0.39 N ATOM 377 CZ ARG A 25 -1.994 4.807 -5.473 1.00 0.45 C ATOM 378 NH1 ARG A 25 -2.858 4.512 -6.441 1.00 0.50 N ATOM 379 NH2 ARG A 25 -1.601 6.066 -5.298 1.00 0.56 N ATOM 0 H ARG A 25 -2.144 1.019 -0.921 1.00 0.27 H new ATOM 0 HA ARG A 25 -0.918 -0.750 -2.718 1.00 0.28 H new ATOM 0 HB2 ARG A 25 -0.255 2.171 -2.199 1.00 0.30 H new ATOM 0 HB3 ARG A 25 0.089 1.269 -3.662 1.00 0.30 H new ATOM 0 HG2 ARG A 25 -2.614 0.879 -3.486 1.00 0.35 H new ATOM 0 HG3 ARG A 25 -2.480 2.445 -2.711 1.00 0.35 H new ATOM 0 HD2 ARG A 25 -1.137 1.908 -5.374 1.00 0.39 H new ATOM 0 HD3 ARG A 25 -2.833 2.342 -5.294 1.00 0.39 H new ATOM 0 HE ARG A 25 -0.848 4.118 -3.954 1.00 0.39 H new ATOM 0 HH11 ARG A 25 -3.159 3.547 -6.580 1.00 0.50 H new ATOM 0 HH12 ARG A 25 -3.220 5.251 -7.044 1.00 0.50 H new ATOM 0 HH21 ARG A 25 -0.936 6.295 -4.559 1.00 0.56 H new ATOM 0 HH22 ARG A 25 -1.964 6.802 -5.903 1.00 0.56 H new ATOM 393 N GLN A 26 1.110 0.424 -0.374 1.00 0.31 N ATOM 394 CA GLN A 26 2.417 0.203 0.256 1.00 0.34 C ATOM 395 C GLN A 26 2.355 -0.955 1.261 1.00 0.30 C ATOM 396 O GLN A 26 3.382 -1.495 1.691 1.00 0.31 O ATOM 397 CB GLN A 26 2.862 1.496 0.954 1.00 0.42 C ATOM 398 CG GLN A 26 4.160 1.379 1.738 1.00 0.71 C ATOM 399 CD GLN A 26 3.979 1.736 3.203 1.00 1.09 C ATOM 400 OE1 GLN A 26 3.824 0.861 4.062 1.00 1.21 O ATOM 401 NE2 GLN A 26 3.979 3.029 3.493 1.00 1.45 N ATOM 0 H GLN A 26 0.535 1.128 0.088 1.00 0.31 H new ATOM 0 HA GLN A 26 3.141 -0.066 -0.513 1.00 0.34 H new ATOM 0 HB2 GLN A 26 2.976 2.278 0.203 1.00 0.42 H new ATOM 0 HB3 GLN A 26 2.071 1.818 1.632 1.00 0.42 H new ATOM 0 HG2 GLN A 26 4.540 0.361 1.658 1.00 0.71 H new ATOM 0 HG3 GLN A 26 4.910 2.035 1.296 1.00 0.71 H new ATOM 0 HE21 GLN A 26 4.111 3.718 2.752 1.00 1.45 H new ATOM 0 HE22 GLN A 26 3.848 3.335 4.457 1.00 1.45 H new ATOM 410 N ALA A 27 1.144 -1.373 1.583 1.00 0.28 N ATOM 411 CA ALA A 27 0.948 -2.456 2.539 1.00 0.27 C ATOM 412 C ALA A 27 1.143 -3.785 1.833 1.00 0.24 C ATOM 413 O ALA A 27 1.760 -4.713 2.365 1.00 0.24 O ATOM 414 CB ALA A 27 -0.449 -2.374 3.174 1.00 0.28 C ATOM 0 H ALA A 27 0.283 -0.983 1.200 1.00 0.28 H new ATOM 0 HA ALA A 27 1.680 -2.366 3.341 1.00 0.27 H new ATOM 0 HB1 ALA A 27 -0.574 -3.191 3.884 1.00 0.28 H new ATOM 0 HB2 ALA A 27 -0.557 -1.422 3.694 1.00 0.28 H new ATOM 0 HB3 ALA A 27 -1.208 -2.450 2.395 1.00 0.28 H new ATOM 420 N ALA A 28 0.653 -3.845 0.605 1.00 0.23 N ATOM 421 CA ALA A 28 0.770 -5.037 -0.209 1.00 0.22 C ATOM 422 C ALA A 28 2.193 -5.163 -0.728 1.00 0.23 C ATOM 423 O ALA A 28 2.649 -6.250 -1.074 1.00 0.24 O ATOM 424 CB ALA A 28 -0.231 -4.986 -1.352 1.00 0.22 C ATOM 0 H ALA A 28 0.167 -3.073 0.150 1.00 0.23 H new ATOM 0 HA ALA A 28 0.546 -5.916 0.395 1.00 0.22 H new ATOM 0 HB1 ALA A 28 -0.136 -5.886 -1.959 1.00 0.22 H new ATOM 0 HB2 ALA A 28 -1.242 -4.925 -0.948 1.00 0.22 H new ATOM 0 HB3 ALA A 28 -0.034 -4.110 -1.969 1.00 0.22 H new ATOM 430 N LEU A 29 2.887 -4.030 -0.761 1.00 0.25 N ATOM 431 CA LEU A 29 4.267 -3.981 -1.219 1.00 0.27 C ATOM 432 C LEU A 29 5.146 -4.880 -0.353 1.00 0.27 C ATOM 433 O LEU A 29 5.845 -5.757 -0.862 1.00 0.29 O ATOM 434 CB LEU A 29 4.770 -2.534 -1.164 1.00 0.31 C ATOM 435 CG LEU A 29 5.981 -2.201 -2.051 1.00 0.34 C ATOM 436 CD1 LEU A 29 5.622 -2.343 -3.538 1.00 0.44 C ATOM 437 CD2 LEU A 29 6.503 -0.799 -1.706 1.00 0.39 C ATOM 0 H LEU A 29 2.510 -3.127 -0.473 1.00 0.25 H new ATOM 0 HA LEU A 29 4.317 -4.341 -2.247 1.00 0.27 H new ATOM 0 HB2 LEU A 29 3.948 -1.875 -1.445 1.00 0.31 H new ATOM 0 HB3 LEU A 29 5.028 -2.300 -0.131 1.00 0.31 H new ATOM 0 HG LEU A 29 6.783 -2.912 -1.855 1.00 0.34 H new ATOM 0 HD11 LEU A 29 6.493 -2.103 -4.147 1.00 0.44 H new ATOM 0 HD12 LEU A 29 5.309 -3.367 -3.741 1.00 0.44 H new ATOM 0 HD13 LEU A 29 4.809 -1.660 -3.783 1.00 0.44 H new ATOM 0 HD21 LEU A 29 7.361 -0.565 -2.336 1.00 0.39 H new ATOM 0 HD22 LEU A 29 5.716 -0.065 -1.878 1.00 0.39 H new ATOM 0 HD23 LEU A 29 6.803 -0.770 -0.659 1.00 0.39 H new ATOM 449 N LYS A 30 5.096 -4.660 0.961 1.00 0.26 N ATOM 450 CA LYS A 30 5.883 -5.440 1.913 1.00 0.27 C ATOM 451 C LYS A 30 5.358 -6.869 2.069 1.00 0.25 C ATOM 452 O LYS A 30 6.052 -7.727 2.611 1.00 0.26 O ATOM 453 CB LYS A 30 5.897 -4.749 3.282 1.00 0.32 C ATOM 454 CG LYS A 30 6.760 -3.492 3.334 1.00 0.50 C ATOM 455 CD LYS A 30 6.627 -2.771 4.668 1.00 0.53 C ATOM 456 CE LYS A 30 5.332 -1.978 4.757 1.00 0.70 C ATOM 457 NZ LYS A 30 5.431 -0.857 5.731 1.00 1.30 N ATOM 0 H LYS A 30 4.514 -3.942 1.392 1.00 0.26 H new ATOM 0 HA LYS A 30 6.896 -5.499 1.515 1.00 0.27 H new ATOM 0 HB2 LYS A 30 4.875 -4.487 3.556 1.00 0.32 H new ATOM 0 HB3 LYS A 30 6.256 -5.455 4.030 1.00 0.32 H new ATOM 0 HG2 LYS A 30 7.803 -3.760 3.168 1.00 0.50 H new ATOM 0 HG3 LYS A 30 6.471 -2.819 2.527 1.00 0.50 H new ATOM 0 HD2 LYS A 30 6.664 -3.498 5.479 1.00 0.53 H new ATOM 0 HD3 LYS A 30 7.474 -2.099 4.804 1.00 0.53 H new ATOM 0 HE2 LYS A 30 5.081 -1.582 3.773 1.00 0.70 H new ATOM 0 HE3 LYS A 30 4.519 -2.643 5.050 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 4.917 -0.031 5.363 1.00 1.30 H new ATOM 0 HZ2 LYS A 30 5.014 -1.148 6.638 1.00 1.30 H new ATOM 0 HZ3 LYS A 30 6.431 -0.608 5.873 1.00 1.30 H new ATOM 471 N ALA A 31 4.145 -7.126 1.591 1.00 0.22 N ATOM 472 CA ALA A 31 3.558 -8.467 1.696 1.00 0.21 C ATOM 473 C ALA A 31 4.264 -9.435 0.738 1.00 0.21 C ATOM 474 O ALA A 31 4.468 -10.609 1.050 1.00 0.22 O ATOM 475 CB ALA A 31 2.047 -8.414 1.393 1.00 0.21 C ATOM 0 H ALA A 31 3.551 -6.436 1.131 1.00 0.22 H new ATOM 0 HA ALA A 31 3.695 -8.829 2.715 1.00 0.21 H new ATOM 0 HB1 ALA A 31 1.624 -9.415 1.474 1.00 0.21 H new ATOM 0 HB2 ALA A 31 1.556 -7.753 2.107 1.00 0.21 H new ATOM 0 HB3 ALA A 31 1.892 -8.036 0.383 1.00 0.21 H new ATOM 481 N ALA A 32 4.623 -8.920 -0.433 1.00 0.22 N ATOM 482 CA ALA A 32 5.320 -9.686 -1.474 1.00 0.24 C ATOM 483 C ALA A 32 6.709 -10.166 -1.040 1.00 0.23 C ATOM 484 O ALA A 32 7.417 -10.786 -1.834 1.00 0.24 O ATOM 485 CB ALA A 32 5.457 -8.814 -2.718 1.00 0.28 C ATOM 0 H ALA A 32 4.439 -7.951 -0.694 1.00 0.22 H new ATOM 0 HA ALA A 32 4.725 -10.576 -1.676 1.00 0.24 H new ATOM 0 HB1 ALA A 32 5.974 -9.372 -3.499 1.00 0.28 H new ATOM 0 HB2 ALA A 32 4.467 -8.527 -3.072 1.00 0.28 H new ATOM 0 HB3 ALA A 32 6.029 -7.919 -2.474 1.00 0.28 H new ATOM 491 N ASN A 33 7.114 -9.890 0.200 1.00 0.23 N ATOM 492 CA ASN A 33 8.430 -10.313 0.687 1.00 0.24 C ATOM 493 C ASN A 33 8.444 -11.793 1.073 1.00 0.24 C ATOM 494 O ASN A 33 9.361 -12.254 1.756 1.00 0.26 O ATOM 495 CB ASN A 33 8.839 -9.471 1.903 1.00 0.26 C ATOM 496 CG ASN A 33 9.381 -8.103 1.533 1.00 0.37 C ATOM 497 OD1 ASN A 33 9.096 -7.566 0.462 1.00 0.64 O ATOM 498 ND2 ASN A 33 10.161 -7.523 2.430 1.00 0.65 N ATOM 0 H ASN A 33 6.555 -9.379 0.883 1.00 0.23 H new ATOM 0 HA ASN A 33 9.140 -10.164 -0.126 1.00 0.24 H new ATOM 0 HB2 ASN A 33 7.976 -9.347 2.557 1.00 0.26 H new ATOM 0 HB3 ASN A 33 9.595 -10.012 2.472 1.00 0.26 H new ATOM 0 HD21 ASN A 33 10.550 -6.598 2.246 1.00 0.65 H new ATOM 0 HD22 ASN A 33 10.374 -8.001 3.306 1.00 0.65 H new ATOM 505 N ARG A 34 7.426 -12.527 0.633 1.00 0.24 N ATOM 506 CA ARG A 34 7.310 -13.955 0.919 1.00 0.27 C ATOM 507 C ARG A 34 8.571 -14.715 0.525 1.00 0.28 C ATOM 508 O ARG A 34 9.032 -15.585 1.261 1.00 0.35 O ATOM 509 CB ARG A 34 6.097 -14.545 0.204 1.00 0.29 C ATOM 510 CG ARG A 34 4.788 -14.317 0.943 1.00 0.32 C ATOM 511 CD ARG A 34 4.380 -15.544 1.739 1.00 0.34 C ATOM 512 NE ARG A 34 3.944 -16.626 0.858 1.00 0.33 N ATOM 513 CZ ARG A 34 3.577 -17.838 1.267 1.00 0.38 C ATOM 514 NH1 ARG A 34 3.635 -18.158 2.551 1.00 0.43 N ATOM 515 NH2 ARG A 34 3.158 -18.732 0.381 1.00 0.43 N ATOM 0 H ARG A 34 6.662 -12.152 0.071 1.00 0.24 H new ATOM 0 HA ARG A 34 7.179 -14.063 1.996 1.00 0.27 H new ATOM 0 HB2 ARG A 34 6.024 -14.108 -0.792 1.00 0.29 H new ATOM 0 HB3 ARG A 34 6.249 -15.616 0.072 1.00 0.29 H new ATOM 0 HG2 ARG A 34 4.891 -13.464 1.614 1.00 0.32 H new ATOM 0 HG3 ARG A 34 4.004 -14.068 0.228 1.00 0.32 H new ATOM 0 HD2 ARG A 34 5.220 -15.882 2.346 1.00 0.34 H new ATOM 0 HD3 ARG A 34 3.574 -15.284 2.426 1.00 0.34 H new ATOM 0 HE ARG A 34 3.919 -16.438 -0.144 1.00 0.33 H new ATOM 0 HH11 ARG A 34 3.962 -17.474 3.233 1.00 0.43 H new ATOM 0 HH12 ARG A 34 3.352 -19.089 2.858 1.00 0.43 H new ATOM 0 HH21 ARG A 34 3.118 -18.489 -0.609 1.00 0.43 H new ATOM 0 HH22 ARG A 34 2.876 -19.662 0.690 1.00 0.43 H new ATOM 529 N GLY A 35 9.131 -14.380 -0.631 1.00 0.28 N ATOM 530 CA GLY A 35 10.340 -15.045 -1.081 1.00 0.29 C ATOM 531 C GLY A 35 10.051 -16.335 -1.817 1.00 0.29 C ATOM 532 O GLY A 35 10.843 -17.278 -1.771 1.00 0.34 O ATOM 0 H GLY A 35 8.772 -13.664 -1.262 1.00 0.28 H new ATOM 0 HA2 GLY A 35 10.898 -14.375 -1.735 1.00 0.29 H new ATOM 0 HA3 GLY A 35 10.977 -15.255 -0.222 1.00 0.29 H new ATOM 536 N SER A 36 8.916 -16.366 -2.491 1.00 0.28 N ATOM 537 CA SER A 36 8.488 -17.526 -3.249 1.00 0.30 C ATOM 538 C SER A 36 9.341 -17.707 -4.503 1.00 0.29 C ATOM 539 O SER A 36 9.143 -17.026 -5.509 1.00 0.33 O ATOM 540 CB SER A 36 7.018 -17.343 -3.613 1.00 0.34 C ATOM 541 OG SER A 36 6.542 -16.100 -3.105 1.00 0.59 O ATOM 0 H SER A 36 8.263 -15.584 -2.528 1.00 0.28 H new ATOM 0 HA SER A 36 8.612 -18.426 -2.646 1.00 0.30 H new ATOM 0 HB2 SER A 36 6.896 -17.373 -4.696 1.00 0.34 H new ATOM 0 HB3 SER A 36 6.428 -18.163 -3.203 1.00 0.34 H new ATOM 0 HG SER A 36 5.981 -16.262 -2.318 1.00 0.59 H new ATOM 547 N GLY A 37 10.302 -18.613 -4.427 1.00 0.29 N ATOM 548 CA GLY A 37 11.174 -18.868 -5.558 1.00 0.32 C ATOM 549 C GLY A 37 12.115 -17.709 -5.820 1.00 0.33 C ATOM 550 O GLY A 37 13.178 -17.628 -5.209 1.00 0.36 O ATOM 0 H GLY A 37 10.496 -19.179 -3.601 1.00 0.29 H new ATOM 0 HA2 GLY A 37 11.754 -19.772 -5.372 1.00 0.32 H new ATOM 0 HA3 GLY A 37 10.571 -19.054 -6.447 1.00 0.32 H new ATOM 554 N THR A 38 11.712 -16.812 -6.718 1.00 0.35 N ATOM 555 CA THR A 38 12.495 -15.628 -7.071 1.00 0.40 C ATOM 556 C THR A 38 11.681 -14.713 -7.986 1.00 0.38 C ATOM 557 O THR A 38 10.757 -14.045 -7.526 1.00 0.39 O ATOM 558 CB THR A 38 13.839 -15.967 -7.757 1.00 0.49 C ATOM 559 OG1 THR A 38 13.785 -17.276 -8.336 1.00 0.55 O ATOM 560 CG2 THR A 38 14.994 -15.878 -6.769 1.00 0.60 C ATOM 0 H THR A 38 10.829 -16.886 -7.224 1.00 0.35 H new ATOM 0 HA THR A 38 12.728 -15.124 -6.133 1.00 0.40 H new ATOM 0 HB THR A 38 14.009 -15.236 -8.548 1.00 0.49 H new ATOM 0 HG1 THR A 38 14.641 -17.478 -8.768 1.00 0.55 H new ATOM 0 HG21 THR A 38 15.927 -16.121 -7.277 1.00 0.60 H new ATOM 0 HG22 THR A 38 15.052 -14.866 -6.368 1.00 0.60 H new ATOM 0 HG23 THR A 38 14.831 -16.583 -5.954 1.00 0.60 H new ATOM 568 N LYS A 39 12.018 -14.700 -9.277 1.00 0.40 N ATOM 569 CA LYS A 39 11.317 -13.871 -10.251 1.00 0.42 C ATOM 570 C LYS A 39 9.975 -14.498 -10.633 1.00 0.39 C ATOM 571 O LYS A 39 8.943 -14.144 -10.075 1.00 0.39 O ATOM 572 CB LYS A 39 12.176 -13.654 -11.504 1.00 0.49 C ATOM 573 CG LYS A 39 12.158 -12.220 -12.016 1.00 0.70 C ATOM 574 CD LYS A 39 12.949 -12.070 -13.305 1.00 0.84 C ATOM 575 CE LYS A 39 12.139 -12.493 -14.520 1.00 0.82 C ATOM 576 NZ LYS A 39 11.142 -11.459 -14.921 1.00 0.94 N ATOM 0 H LYS A 39 12.776 -15.258 -9.670 1.00 0.40 H new ATOM 0 HA LYS A 39 11.128 -12.902 -9.790 1.00 0.42 H new ATOM 0 HB2 LYS A 39 13.205 -13.939 -11.283 1.00 0.49 H new ATOM 0 HB3 LYS A 39 11.825 -14.317 -12.294 1.00 0.49 H new ATOM 0 HG2 LYS A 39 11.127 -11.907 -12.184 1.00 0.70 H new ATOM 0 HG3 LYS A 39 12.573 -11.558 -11.256 1.00 0.70 H new ATOM 0 HD2 LYS A 39 13.261 -11.032 -13.420 1.00 0.84 H new ATOM 0 HD3 LYS A 39 13.856 -12.671 -13.246 1.00 0.84 H new ATOM 0 HE2 LYS A 39 12.813 -12.688 -15.354 1.00 0.82 H new ATOM 0 HE3 LYS A 39 11.623 -13.428 -14.303 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 10.673 -11.752 -15.801 1.00 0.94 H new ATOM 0 HZ2 LYS A 39 10.432 -11.352 -14.169 1.00 0.94 H new ATOM 0 HZ3 LYS A 39 11.626 -10.551 -15.073 1.00 0.94 H new ATOM 590 N ALA A 40 9.973 -15.414 -11.599 1.00 0.39 N ATOM 591 CA ALA A 40 8.738 -16.065 -12.009 1.00 0.38 C ATOM 592 C ALA A 40 8.291 -17.107 -10.990 1.00 0.36 C ATOM 593 O ALA A 40 8.918 -18.160 -10.843 1.00 0.37 O ATOM 594 CB ALA A 40 8.917 -16.703 -13.370 1.00 0.41 C ATOM 0 H ALA A 40 10.805 -15.718 -12.106 1.00 0.39 H new ATOM 0 HA ALA A 40 7.959 -15.305 -12.068 1.00 0.38 H new ATOM 0 HB1 ALA A 40 7.988 -17.188 -13.669 1.00 0.41 H new ATOM 0 HB2 ALA A 40 9.178 -15.936 -14.100 1.00 0.41 H new ATOM 0 HB3 ALA A 40 9.714 -17.445 -13.322 1.00 0.41 H new ATOM 600 N ASN A 41 7.199 -16.802 -10.309 1.00 0.34 N ATOM 601 CA ASN A 41 6.626 -17.664 -9.279 1.00 0.33 C ATOM 602 C ASN A 41 5.385 -16.985 -8.716 1.00 0.35 C ATOM 603 O ASN A 41 5.422 -15.800 -8.384 1.00 0.48 O ATOM 604 CB ASN A 41 7.635 -17.922 -8.147 1.00 0.34 C ATOM 605 CG ASN A 41 7.355 -19.222 -7.399 1.00 0.38 C ATOM 606 OD1 ASN A 41 6.615 -19.235 -6.418 1.00 0.57 O ATOM 607 ND2 ASN A 41 7.940 -20.331 -7.844 1.00 0.50 N ATOM 0 H ASN A 41 6.676 -15.939 -10.455 1.00 0.34 H new ATOM 0 HA ASN A 41 6.368 -18.626 -9.722 1.00 0.33 H new ATOM 0 HB2 ASN A 41 8.642 -17.956 -8.563 1.00 0.34 H new ATOM 0 HB3 ASN A 41 7.608 -17.089 -7.444 1.00 0.34 H new ATOM 0 HD21 ASN A 41 7.778 -21.219 -7.369 1.00 0.50 H new ATOM 0 HD22 ASN A 41 8.550 -20.293 -8.661 1.00 0.50 H new ATOM 614 N PRO A 42 4.252 -17.692 -8.651 1.00 0.35 N ATOM 615 CA PRO A 42 3.015 -17.131 -8.126 1.00 0.38 C ATOM 616 C PRO A 42 2.902 -17.312 -6.612 1.00 0.31 C ATOM 617 O PRO A 42 3.483 -18.243 -6.052 1.00 0.31 O ATOM 618 CB PRO A 42 1.961 -17.957 -8.850 1.00 0.48 C ATOM 619 CG PRO A 42 2.579 -19.306 -9.009 1.00 0.70 C ATOM 620 CD PRO A 42 4.074 -19.091 -9.088 1.00 0.48 C ATOM 0 HA PRO A 42 2.930 -16.056 -8.284 1.00 0.38 H new ATOM 0 HB2 PRO A 42 1.036 -18.010 -8.275 1.00 0.48 H new ATOM 0 HB3 PRO A 42 1.711 -17.520 -9.817 1.00 0.48 H new ATOM 0 HG2 PRO A 42 2.324 -19.950 -8.167 1.00 0.70 H new ATOM 0 HG3 PRO A 42 2.210 -19.797 -9.909 1.00 0.70 H new ATOM 0 HD2 PRO A 42 4.613 -19.784 -8.441 1.00 0.48 H new ATOM 0 HD3 PRO A 42 4.447 -19.244 -10.101 1.00 0.48 H new ATOM 628 N ASP A 43 2.137 -16.440 -5.956 1.00 0.28 N ATOM 629 CA ASP A 43 1.949 -16.508 -4.514 1.00 0.25 C ATOM 630 C ASP A 43 0.723 -15.725 -4.134 1.00 0.25 C ATOM 631 O ASP A 43 0.360 -14.757 -4.803 1.00 0.28 O ATOM 632 CB ASP A 43 3.150 -15.957 -3.742 1.00 0.24 C ATOM 633 CG ASP A 43 3.405 -16.729 -2.462 1.00 0.30 C ATOM 634 OD1 ASP A 43 2.675 -17.711 -2.188 1.00 0.33 O ATOM 635 OD2 ASP A 43 4.334 -16.358 -1.720 1.00 0.51 O ATOM 0 H ASP A 43 1.636 -15.675 -6.407 1.00 0.28 H new ATOM 0 HA ASP A 43 1.837 -17.560 -4.249 1.00 0.25 H new ATOM 0 HB2 ASP A 43 4.037 -15.999 -4.374 1.00 0.24 H new ATOM 0 HB3 ASP A 43 2.978 -14.907 -3.504 1.00 0.24 H new ATOM 640 N ILE A 44 0.085 -16.147 -3.065 1.00 0.25 N ATOM 641 CA ILE A 44 -1.118 -15.495 -2.602 1.00 0.26 C ATOM 642 C ILE A 44 -1.196 -15.521 -1.084 1.00 0.25 C ATOM 643 O ILE A 44 -1.163 -16.584 -0.463 1.00 0.31 O ATOM 644 CB ILE A 44 -2.369 -16.159 -3.226 1.00 0.32 C ATOM 645 CG1 ILE A 44 -2.708 -15.489 -4.560 1.00 0.46 C ATOM 646 CG2 ILE A 44 -3.574 -16.097 -2.283 1.00 0.37 C ATOM 647 CD1 ILE A 44 -3.831 -16.164 -5.316 1.00 0.57 C ATOM 0 H ILE A 44 0.381 -16.942 -2.499 1.00 0.25 H new ATOM 0 HA ILE A 44 -1.087 -14.453 -2.921 1.00 0.26 H new ATOM 0 HB ILE A 44 -2.137 -17.210 -3.397 1.00 0.32 H new ATOM 0 HG12 ILE A 44 -2.981 -14.450 -4.375 1.00 0.46 H new ATOM 0 HG13 ILE A 44 -1.816 -15.478 -5.187 1.00 0.46 H new ATOM 0 HG21 ILE A 44 -4.432 -16.573 -2.757 1.00 0.37 H new ATOM 0 HG22 ILE A 44 -3.337 -16.617 -1.355 1.00 0.37 H new ATOM 0 HG23 ILE A 44 -3.812 -15.056 -2.065 1.00 0.37 H new ATOM 0 HD11 ILE A 44 -4.012 -15.632 -6.250 1.00 0.57 H new ATOM 0 HD12 ILE A 44 -3.554 -17.195 -5.534 1.00 0.57 H new ATOM 0 HD13 ILE A 44 -4.737 -16.152 -4.710 1.00 0.57 H new ATOM 659 N ILE A 45 -1.287 -14.342 -0.493 1.00 0.23 N ATOM 660 CA ILE A 45 -1.380 -14.215 0.949 1.00 0.23 C ATOM 661 C ILE A 45 -2.544 -13.304 1.314 1.00 0.23 C ATOM 662 O ILE A 45 -2.912 -12.411 0.551 1.00 0.29 O ATOM 663 CB ILE A 45 -0.058 -13.714 1.598 1.00 0.24 C ATOM 664 CG1 ILE A 45 0.800 -12.895 0.600 1.00 0.25 C ATOM 665 CG2 ILE A 45 0.716 -14.922 2.129 1.00 0.26 C ATOM 666 CD1 ILE A 45 0.099 -11.667 0.042 1.00 0.29 C ATOM 0 H ILE A 45 -1.298 -13.454 -0.995 1.00 0.23 H new ATOM 0 HA ILE A 45 -1.559 -15.212 1.352 1.00 0.23 H new ATOM 0 HB ILE A 45 -0.300 -13.041 2.421 1.00 0.24 H new ATOM 0 HG12 ILE A 45 1.717 -12.582 1.098 1.00 0.25 H new ATOM 0 HG13 ILE A 45 1.092 -13.541 -0.228 1.00 0.25 H new ATOM 0 HG21 ILE A 45 1.646 -14.585 2.587 1.00 0.26 H new ATOM 0 HG22 ILE A 45 0.113 -15.442 2.873 1.00 0.26 H new ATOM 0 HG23 ILE A 45 0.942 -15.600 1.306 1.00 0.26 H new ATOM 0 HD11 ILE A 45 0.766 -11.149 -0.648 1.00 0.29 H new ATOM 0 HD12 ILE A 45 -0.804 -11.972 -0.487 1.00 0.29 H new ATOM 0 HD13 ILE A 45 -0.168 -10.998 0.860 1.00 0.29 H new ATOM 678 N ARG A 46 -3.140 -13.563 2.458 1.00 0.26 N ATOM 679 CA ARG A 46 -4.287 -12.786 2.899 1.00 0.27 C ATOM 680 C ARG A 46 -4.054 -12.145 4.255 1.00 0.28 C ATOM 681 O ARG A 46 -4.016 -12.821 5.278 1.00 0.34 O ATOM 682 CB ARG A 46 -5.547 -13.658 2.936 1.00 0.29 C ATOM 683 CG ARG A 46 -5.286 -15.118 3.292 1.00 0.31 C ATOM 684 CD ARG A 46 -5.626 -16.047 2.140 1.00 0.35 C ATOM 685 NE ARG A 46 -4.420 -16.546 1.475 1.00 0.36 N ATOM 686 CZ ARG A 46 -4.094 -17.838 1.383 1.00 0.37 C ATOM 687 NH1 ARG A 46 -4.920 -18.775 1.837 1.00 0.63 N ATOM 688 NH2 ARG A 46 -2.949 -18.203 0.818 1.00 0.39 N ATOM 0 H ARG A 46 -2.854 -14.302 3.100 1.00 0.26 H new ATOM 0 HA ARG A 46 -4.429 -11.983 2.175 1.00 0.27 H new ATOM 0 HB2 ARG A 46 -6.245 -13.238 3.660 1.00 0.29 H new ATOM 0 HB3 ARG A 46 -6.034 -13.615 1.962 1.00 0.29 H new ATOM 0 HG2 ARG A 46 -4.238 -15.244 3.564 1.00 0.31 H new ATOM 0 HG3 ARG A 46 -5.877 -15.391 4.166 1.00 0.31 H new ATOM 0 HD2 ARG A 46 -6.212 -16.888 2.511 1.00 0.35 H new ATOM 0 HD3 ARG A 46 -6.248 -15.519 1.418 1.00 0.35 H new ATOM 0 HE ARG A 46 -3.789 -15.863 1.055 1.00 0.36 H new ATOM 0 HH11 ARG A 46 -5.810 -18.509 2.259 1.00 0.63 H new ATOM 0 HH12 ARG A 46 -4.664 -19.760 1.763 1.00 0.63 H new ATOM 0 HH21 ARG A 46 -2.313 -17.495 0.451 1.00 0.39 H new ATOM 0 HH22 ARG A 46 -2.706 -19.191 0.751 1.00 0.39 H new ATOM 702 N LEU A 47 -3.895 -10.831 4.249 1.00 0.25 N ATOM 703 CA LEU A 47 -3.696 -10.082 5.473 1.00 0.27 C ATOM 704 C LEU A 47 -5.054 -9.659 5.979 1.00 0.26 C ATOM 705 O LEU A 47 -5.879 -9.175 5.199 1.00 0.25 O ATOM 706 CB LEU A 47 -2.823 -8.813 5.283 1.00 0.28 C ATOM 707 CG LEU A 47 -2.406 -8.443 3.856 1.00 0.27 C ATOM 708 CD1 LEU A 47 -1.664 -7.118 3.855 1.00 0.31 C ATOM 709 CD2 LEU A 47 -1.528 -9.516 3.231 1.00 0.29 C ATOM 0 H LEU A 47 -3.900 -10.261 3.403 1.00 0.25 H new ATOM 0 HA LEU A 47 -3.169 -10.728 6.175 1.00 0.27 H new ATOM 0 HB2 LEU A 47 -3.365 -7.967 5.704 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -1.917 -8.937 5.876 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.315 -8.358 3.261 1.00 0.27 H new ATOM 0 HD11 LEU A 47 -1.372 -6.865 2.836 1.00 0.31 H new ATOM 0 HD12 LEU A 47 -2.313 -6.337 4.251 1.00 0.31 H new ATOM 0 HD13 LEU A 47 -0.773 -7.199 4.478 1.00 0.31 H new ATOM 0 HD21 LEU A 47 -1.253 -9.217 2.219 1.00 0.29 H new ATOM 0 HD22 LEU A 47 -0.626 -9.643 3.830 1.00 0.29 H new ATOM 0 HD23 LEU A 47 -2.075 -10.458 3.195 1.00 0.29 H new ATOM 721 N ARG A 48 -5.316 -9.842 7.255 1.00 0.29 N ATOM 722 CA ARG A 48 -6.585 -9.431 7.802 1.00 0.29 C ATOM 723 C ARG A 48 -6.449 -7.962 8.112 1.00 0.29 C ATOM 724 O ARG A 48 -5.472 -7.558 8.750 1.00 0.31 O ATOM 725 CB ARG A 48 -6.918 -10.224 9.073 1.00 0.33 C ATOM 726 CG ARG A 48 -7.247 -11.690 8.826 1.00 0.35 C ATOM 727 CD ARG A 48 -6.001 -12.537 8.583 1.00 0.38 C ATOM 728 NE ARG A 48 -5.094 -12.563 9.751 1.00 0.47 N ATOM 729 CZ ARG A 48 -5.301 -13.305 10.844 1.00 0.59 C ATOM 730 NH1 ARG A 48 -6.411 -14.028 10.966 1.00 0.63 N ATOM 731 NH2 ARG A 48 -4.399 -13.303 11.821 1.00 0.73 N ATOM 0 H ARG A 48 -4.674 -10.268 7.924 1.00 0.29 H new ATOM 0 HA ARG A 48 -7.396 -9.617 7.098 1.00 0.29 H new ATOM 0 HB2 ARG A 48 -6.072 -10.164 9.758 1.00 0.33 H new ATOM 0 HB3 ARG A 48 -7.765 -9.752 9.571 1.00 0.33 H new ATOM 0 HG2 ARG A 48 -7.790 -12.086 9.684 1.00 0.35 H new ATOM 0 HG3 ARG A 48 -7.910 -11.770 7.965 1.00 0.35 H new ATOM 0 HD2 ARG A 48 -6.301 -13.556 8.338 1.00 0.38 H new ATOM 0 HD3 ARG A 48 -5.464 -12.146 7.719 1.00 0.38 H new ATOM 0 HE ARG A 48 -4.259 -11.979 9.721 1.00 0.47 H new ATOM 0 HH11 ARG A 48 -7.110 -14.018 10.223 1.00 0.63 H new ATOM 0 HH12 ARG A 48 -6.563 -14.592 11.802 1.00 0.63 H new ATOM 0 HH21 ARG A 48 -3.555 -12.737 11.734 1.00 0.73 H new ATOM 0 HH22 ARG A 48 -4.552 -13.867 12.657 1.00 0.73 H new ATOM 745 N GLU A 49 -7.376 -7.157 7.643 1.00 0.28 N ATOM 746 CA GLU A 49 -7.271 -5.739 7.887 1.00 0.31 C ATOM 747 C GLU A 49 -7.665 -5.453 9.332 1.00 0.35 C ATOM 748 O GLU A 49 -8.730 -5.879 9.785 1.00 0.37 O ATOM 749 CB GLU A 49 -8.153 -4.941 6.931 1.00 0.32 C ATOM 750 CG GLU A 49 -7.741 -3.485 6.827 1.00 0.40 C ATOM 751 CD GLU A 49 -8.898 -2.541 7.025 1.00 0.44 C ATOM 752 OE1 GLU A 49 -9.581 -2.644 8.058 1.00 1.05 O ATOM 753 OE2 GLU A 49 -9.129 -1.691 6.147 1.00 0.89 O ATOM 0 H GLU A 49 -8.191 -7.451 7.104 1.00 0.28 H new ATOM 0 HA GLU A 49 -6.240 -5.430 7.715 1.00 0.31 H new ATOM 0 HB2 GLU A 49 -8.113 -5.397 5.942 1.00 0.32 H new ATOM 0 HB3 GLU A 49 -9.189 -4.998 7.267 1.00 0.32 H new ATOM 0 HG2 GLU A 49 -6.973 -3.274 7.571 1.00 0.40 H new ATOM 0 HG3 GLU A 49 -7.294 -3.306 5.849 1.00 0.40 H new ATOM 760 N ARG A 50 -6.818 -4.743 10.055 1.00 0.37 N ATOM 761 CA ARG A 50 -7.090 -4.433 11.446 1.00 0.42 C ATOM 762 C ARG A 50 -7.575 -2.997 11.598 1.00 0.46 C ATOM 763 O ARG A 50 -6.778 -2.078 11.802 1.00 0.51 O ATOM 764 CB ARG A 50 -5.833 -4.650 12.284 1.00 0.47 C ATOM 765 CG ARG A 50 -6.087 -4.682 13.783 1.00 0.47 C ATOM 766 CD ARG A 50 -4.783 -4.682 14.554 1.00 0.53 C ATOM 767 NE ARG A 50 -4.940 -5.157 15.922 1.00 0.95 N ATOM 768 CZ ARG A 50 -3.942 -5.236 16.805 1.00 1.24 C ATOM 769 NH1 ARG A 50 -2.708 -4.858 16.473 1.00 1.52 N ATOM 770 NH2 ARG A 50 -4.174 -5.695 18.021 1.00 1.71 N ATOM 0 H ARG A 50 -5.937 -4.371 9.702 1.00 0.37 H new ATOM 0 HA ARG A 50 -7.877 -5.100 11.798 1.00 0.42 H new ATOM 0 HB2 ARG A 50 -5.367 -5.589 11.985 1.00 0.47 H new ATOM 0 HB3 ARG A 50 -5.120 -3.856 12.064 1.00 0.47 H new ATOM 0 HG2 ARG A 50 -6.685 -3.818 14.073 1.00 0.47 H new ATOM 0 HG3 ARG A 50 -6.665 -5.570 14.039 1.00 0.47 H new ATOM 0 HD2 ARG A 50 -4.059 -5.311 14.036 1.00 0.53 H new ATOM 0 HD3 ARG A 50 -4.374 -3.672 14.569 1.00 0.53 H new ATOM 0 HE ARG A 50 -5.870 -5.447 16.224 1.00 0.95 H new ATOM 0 HH11 ARG A 50 -2.518 -4.504 15.536 1.00 1.52 H new ATOM 0 HH12 ARG A 50 -1.954 -4.923 17.156 1.00 1.52 H new ATOM 0 HH21 ARG A 50 -5.115 -5.989 18.284 1.00 1.71 H new ATOM 0 HH22 ARG A 50 -3.413 -5.756 18.697 1.00 1.71 H new ATOM 784 N GLY A 51 -8.881 -2.816 11.481 1.00 0.52 N ATOM 785 CA GLY A 51 -9.475 -1.501 11.612 1.00 0.60 C ATOM 786 C GLY A 51 -10.914 -1.488 11.141 1.00 0.56 C ATOM 787 O GLY A 51 -11.791 -0.921 11.798 1.00 0.65 O ATOM 0 H GLY A 51 -9.548 -3.565 11.295 1.00 0.52 H new ATOM 0 HA2 GLY A 51 -9.430 -1.183 12.654 1.00 0.60 H new ATOM 0 HA3 GLY A 51 -8.896 -0.781 11.034 1.00 0.60 H new ATOM 791 N THR A 52 -11.160 -2.123 10.002 1.00 0.49 N ATOM 792 CA THR A 52 -12.486 -2.197 9.425 1.00 0.47 C ATOM 793 C THR A 52 -12.854 -3.657 9.135 1.00 0.45 C ATOM 794 O THR A 52 -12.195 -4.574 9.629 1.00 0.68 O ATOM 795 CB THR A 52 -12.538 -1.354 8.123 1.00 0.52 C ATOM 796 OG1 THR A 52 -11.378 -0.511 8.065 1.00 0.62 O ATOM 797 CG2 THR A 52 -13.803 -0.474 8.033 1.00 0.59 C ATOM 0 H THR A 52 -10.442 -2.600 9.456 1.00 0.49 H new ATOM 0 HA THR A 52 -13.209 -1.794 10.134 1.00 0.47 H new ATOM 0 HB THR A 52 -12.563 -2.050 7.284 1.00 0.52 H new ATOM 0 HG1 THR A 52 -10.574 -1.066 7.989 1.00 0.62 H new ATOM 0 HG21 THR A 52 -13.786 0.093 7.102 1.00 0.59 H new ATOM 0 HG22 THR A 52 -14.689 -1.108 8.056 1.00 0.59 H new ATOM 0 HG23 THR A 52 -13.828 0.215 8.877 1.00 0.59 H new ATOM 805 N LYS A 53 -13.908 -3.882 8.358 1.00 0.38 N ATOM 806 CA LYS A 53 -14.334 -5.241 8.037 1.00 0.37 C ATOM 807 C LYS A 53 -14.086 -5.575 6.564 1.00 0.35 C ATOM 808 O LYS A 53 -15.014 -5.603 5.758 1.00 0.45 O ATOM 809 CB LYS A 53 -15.812 -5.416 8.381 1.00 0.44 C ATOM 810 CG LYS A 53 -16.154 -5.043 9.816 1.00 0.54 C ATOM 811 CD LYS A 53 -17.597 -4.580 9.956 1.00 0.55 C ATOM 812 CE LYS A 53 -17.860 -3.325 9.141 1.00 0.62 C ATOM 813 NZ LYS A 53 -19.216 -2.756 9.396 1.00 0.74 N ATOM 0 H LYS A 53 -14.480 -3.148 7.941 1.00 0.38 H new ATOM 0 HA LYS A 53 -13.740 -5.932 8.635 1.00 0.37 H new ATOM 0 HB2 LYS A 53 -16.408 -4.804 7.704 1.00 0.44 H new ATOM 0 HB3 LYS A 53 -16.096 -6.454 8.207 1.00 0.44 H new ATOM 0 HG2 LYS A 53 -15.985 -5.903 10.464 1.00 0.54 H new ATOM 0 HG3 LYS A 53 -15.485 -4.252 10.154 1.00 0.54 H new ATOM 0 HD2 LYS A 53 -18.268 -5.374 9.630 1.00 0.55 H new ATOM 0 HD3 LYS A 53 -17.818 -4.387 11.006 1.00 0.55 H new ATOM 0 HE2 LYS A 53 -17.104 -2.576 9.378 1.00 0.62 H new ATOM 0 HE3 LYS A 53 -17.759 -3.556 8.080 1.00 0.62 H new ATOM 0 HZ1 LYS A 53 -19.348 -1.902 8.818 1.00 0.74 H new ATOM 0 HZ2 LYS A 53 -19.940 -3.459 9.146 1.00 0.74 H new ATOM 0 HZ3 LYS A 53 -19.306 -2.510 10.403 1.00 0.74 H new ATOM 827 N LYS A 54 -12.819 -5.797 6.222 1.00 0.30 N ATOM 828 CA LYS A 54 -12.445 -6.129 4.845 1.00 0.29 C ATOM 829 C LYS A 54 -11.306 -7.133 4.800 1.00 0.27 C ATOM 830 O LYS A 54 -10.289 -6.978 5.479 1.00 0.30 O ATOM 831 CB LYS A 54 -12.030 -4.878 4.040 1.00 0.32 C ATOM 832 CG LYS A 54 -11.971 -3.600 4.855 1.00 0.61 C ATOM 833 CD LYS A 54 -13.314 -2.888 4.870 1.00 0.58 C ATOM 834 CE LYS A 54 -13.288 -1.632 4.030 1.00 0.49 C ATOM 835 NZ LYS A 54 -14.494 -0.804 4.266 1.00 0.82 N ATOM 0 H LYS A 54 -12.036 -5.754 6.874 1.00 0.30 H new ATOM 0 HA LYS A 54 -13.334 -6.567 4.392 1.00 0.29 H new ATOM 0 HB2 LYS A 54 -11.051 -5.056 3.594 1.00 0.32 H new ATOM 0 HB3 LYS A 54 -12.734 -4.739 3.219 1.00 0.32 H new ATOM 0 HG2 LYS A 54 -11.669 -3.832 5.876 1.00 0.61 H new ATOM 0 HG3 LYS A 54 -11.211 -2.937 4.441 1.00 0.61 H new ATOM 0 HD2 LYS A 54 -14.087 -3.560 4.497 1.00 0.58 H new ATOM 0 HD3 LYS A 54 -13.581 -2.635 5.896 1.00 0.58 H new ATOM 0 HE2 LYS A 54 -12.395 -1.053 4.264 1.00 0.49 H new ATOM 0 HE3 LYS A 54 -13.227 -1.898 2.975 1.00 0.49 H new ATOM 0 HZ1 LYS A 54 -14.366 0.129 3.826 1.00 0.82 H new ATOM 0 HZ2 LYS A 54 -15.324 -1.272 3.849 1.00 0.82 H new ATOM 0 HZ3 LYS A 54 -14.640 -0.687 5.289 1.00 0.82 H new ATOM 849 N VAL A 55 -11.469 -8.153 3.981 1.00 0.25 N ATOM 850 CA VAL A 55 -10.432 -9.158 3.837 1.00 0.25 C ATOM 851 C VAL A 55 -9.479 -8.694 2.750 1.00 0.24 C ATOM 852 O VAL A 55 -9.915 -8.228 1.698 1.00 0.26 O ATOM 853 CB VAL A 55 -10.999 -10.551 3.488 1.00 0.28 C ATOM 854 CG1 VAL A 55 -9.902 -11.613 3.529 1.00 0.31 C ATOM 855 CG2 VAL A 55 -12.133 -10.921 4.433 1.00 0.31 C ATOM 0 H VAL A 55 -12.300 -8.308 3.410 1.00 0.25 H new ATOM 0 HA VAL A 55 -9.918 -9.267 4.792 1.00 0.25 H new ATOM 0 HB VAL A 55 -11.394 -10.509 2.473 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -10.327 -12.585 3.280 1.00 0.31 H new ATOM 0 HG12 VAL A 55 -9.125 -11.361 2.808 1.00 0.31 H new ATOM 0 HG13 VAL A 55 -9.470 -11.652 4.529 1.00 0.31 H new ATOM 0 HG21 VAL A 55 -12.519 -11.906 4.170 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -11.762 -10.938 5.458 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -12.932 -10.184 4.349 1.00 0.31 H new ATOM 865 N HIS A 56 -8.191 -8.811 2.994 1.00 0.23 N ATOM 866 CA HIS A 56 -7.205 -8.343 2.034 1.00 0.24 C ATOM 867 C HIS A 56 -6.389 -9.493 1.481 1.00 0.24 C ATOM 868 O HIS A 56 -5.647 -10.140 2.214 1.00 0.25 O ATOM 869 CB HIS A 56 -6.278 -7.318 2.695 1.00 0.25 C ATOM 870 CG HIS A 56 -6.886 -5.956 2.863 1.00 0.25 C ATOM 871 ND1 HIS A 56 -8.018 -5.721 3.618 1.00 0.28 N ATOM 872 CD2 HIS A 56 -6.513 -4.753 2.364 1.00 0.27 C ATOM 873 CE1 HIS A 56 -8.320 -4.438 3.573 1.00 0.30 C ATOM 874 NE2 HIS A 56 -7.423 -3.820 2.819 1.00 0.30 N ATOM 0 H HIS A 56 -7.801 -9.223 3.842 1.00 0.23 H new ATOM 0 HA HIS A 56 -7.736 -7.873 1.206 1.00 0.24 H new ATOM 0 HB2 HIS A 56 -5.979 -7.693 3.674 1.00 0.25 H new ATOM 0 HB3 HIS A 56 -5.371 -7.227 2.098 1.00 0.25 H new ATOM 0 HD1 HIS A 56 -8.540 -6.431 4.132 1.00 0.28 H new ATOM 0 HD2 HIS A 56 -5.662 -4.560 1.728 1.00 0.27 H new ATOM 0 HE1 HIS A 56 -9.158 -3.970 4.068 1.00 0.30 H new ATOM 883 N VAL A 57 -6.516 -9.742 0.185 1.00 0.23 N ATOM 884 CA VAL A 57 -5.773 -10.802 -0.469 1.00 0.23 C ATOM 885 C VAL A 57 -5.337 -10.328 -1.854 1.00 0.24 C ATOM 886 O VAL A 57 -6.122 -9.751 -2.626 1.00 0.24 O ATOM 887 CB VAL A 57 -6.579 -12.121 -0.565 1.00 0.24 C ATOM 888 CG1 VAL A 57 -7.823 -11.961 -1.426 1.00 0.32 C ATOM 889 CG2 VAL A 57 -5.702 -13.245 -1.093 1.00 0.27 C ATOM 0 H VAL A 57 -7.133 -9.218 -0.436 1.00 0.23 H new ATOM 0 HA VAL A 57 -4.896 -11.024 0.139 1.00 0.23 H new ATOM 0 HB VAL A 57 -6.910 -12.378 0.441 1.00 0.24 H new ATOM 0 HG11 VAL A 57 -8.361 -12.908 -1.468 1.00 0.32 H new ATOM 0 HG12 VAL A 57 -8.469 -11.196 -0.994 1.00 0.32 H new ATOM 0 HG13 VAL A 57 -7.532 -11.664 -2.434 1.00 0.32 H new ATOM 0 HG21 VAL A 57 -6.285 -14.164 -1.154 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -5.333 -12.983 -2.085 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -4.858 -13.395 -0.420 1.00 0.27 H new ATOM 899 N PHE A 58 -4.075 -10.528 -2.154 1.00 0.24 N ATOM 900 CA PHE A 58 -3.529 -10.100 -3.416 1.00 0.25 C ATOM 901 C PHE A 58 -2.341 -10.963 -3.767 1.00 0.25 C ATOM 902 O PHE A 58 -1.628 -11.450 -2.882 1.00 0.26 O ATOM 903 CB PHE A 58 -3.138 -8.609 -3.369 1.00 0.26 C ATOM 904 CG PHE A 58 -2.996 -8.052 -1.957 1.00 0.25 C ATOM 905 CD1 PHE A 58 -1.824 -8.193 -1.208 1.00 0.25 C ATOM 906 CD2 PHE A 58 -4.079 -7.414 -1.363 1.00 0.27 C ATOM 907 CE1 PHE A 58 -1.754 -7.713 0.090 1.00 0.26 C ATOM 908 CE2 PHE A 58 -4.003 -6.928 -0.071 1.00 0.28 C ATOM 909 CZ PHE A 58 -2.842 -7.080 0.657 1.00 0.27 C ATOM 0 H PHE A 58 -3.406 -10.987 -1.536 1.00 0.24 H new ATOM 0 HA PHE A 58 -4.288 -10.213 -4.190 1.00 0.25 H new ATOM 0 HB2 PHE A 58 -2.195 -8.474 -3.899 1.00 0.26 H new ATOM 0 HB3 PHE A 58 -3.890 -8.029 -3.904 1.00 0.26 H new ATOM 0 HD1 PHE A 58 -0.965 -8.681 -1.645 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -4.996 -7.296 -1.921 1.00 0.27 H new ATOM 0 HE1 PHE A 58 -0.845 -7.835 0.660 1.00 0.26 H new ATOM 0 HE2 PHE A 58 -4.854 -6.429 0.369 1.00 0.28 H new ATOM 0 HZ PHE A 58 -2.784 -6.705 1.668 1.00 0.27 H new ATOM 919 N LYS A 59 -2.175 -11.206 -5.050 1.00 0.25 N ATOM 920 CA LYS A 59 -1.061 -11.983 -5.544 1.00 0.26 C ATOM 921 C LYS A 59 0.099 -11.030 -5.710 1.00 0.25 C ATOM 922 O LYS A 59 -0.117 -9.877 -6.075 1.00 0.26 O ATOM 923 CB LYS A 59 -1.441 -12.636 -6.879 1.00 0.28 C ATOM 924 CG LYS A 59 -0.305 -13.381 -7.576 1.00 0.32 C ATOM 925 CD LYS A 59 -0.747 -13.929 -8.924 1.00 0.40 C ATOM 926 CE LYS A 59 -1.878 -14.938 -8.781 1.00 0.49 C ATOM 927 NZ LYS A 59 -3.143 -14.456 -9.405 1.00 0.61 N ATOM 0 H LYS A 59 -2.807 -10.871 -5.777 1.00 0.25 H new ATOM 0 HA LYS A 59 -0.791 -12.784 -4.856 1.00 0.26 H new ATOM 0 HB2 LYS A 59 -2.261 -13.333 -6.706 1.00 0.28 H new ATOM 0 HB3 LYS A 59 -1.816 -11.864 -7.551 1.00 0.28 H new ATOM 0 HG2 LYS A 59 0.542 -12.709 -7.715 1.00 0.32 H new ATOM 0 HG3 LYS A 59 0.038 -14.200 -6.943 1.00 0.32 H new ATOM 0 HD2 LYS A 59 -1.072 -13.107 -9.562 1.00 0.40 H new ATOM 0 HD3 LYS A 59 0.101 -14.401 -9.420 1.00 0.40 H new ATOM 0 HE2 LYS A 59 -1.583 -15.880 -9.243 1.00 0.49 H new ATOM 0 HE3 LYS A 59 -2.050 -15.141 -7.724 1.00 0.49 H new ATOM 0 HZ1 LYS A 59 -3.827 -15.238 -9.451 1.00 0.61 H new ATOM 0 HZ2 LYS A 59 -3.539 -13.682 -8.834 1.00 0.61 H new ATOM 0 HZ3 LYS A 59 -2.946 -14.111 -10.366 1.00 0.61 H new ATOM 941 N ALA A 60 1.320 -11.452 -5.444 1.00 0.26 N ATOM 942 CA ALA A 60 2.442 -10.552 -5.567 1.00 0.26 C ATOM 943 C ALA A 60 3.704 -11.350 -5.784 1.00 0.26 C ATOM 944 O ALA A 60 3.841 -12.460 -5.269 1.00 0.29 O ATOM 945 CB ALA A 60 2.572 -9.699 -4.302 1.00 0.26 C ATOM 0 H ALA A 60 1.555 -12.399 -5.146 1.00 0.26 H new ATOM 0 HA ALA A 60 2.282 -9.891 -6.419 1.00 0.26 H new ATOM 0 HB1 ALA A 60 3.421 -9.023 -4.404 1.00 0.26 H new ATOM 0 HB2 ALA A 60 1.661 -9.118 -4.160 1.00 0.26 H new ATOM 0 HB3 ALA A 60 2.727 -10.348 -3.440 1.00 0.26 H new ATOM 951 N TRP A 61 4.611 -10.793 -6.556 1.00 0.24 N ATOM 952 CA TRP A 61 5.868 -11.461 -6.827 1.00 0.25 C ATOM 953 C TRP A 61 7.003 -10.456 -6.833 1.00 0.25 C ATOM 954 O TRP A 61 6.766 -9.248 -6.791 1.00 0.26 O ATOM 955 CB TRP A 61 5.792 -12.256 -8.137 1.00 0.27 C ATOM 956 CG TRP A 61 5.869 -11.425 -9.379 1.00 0.29 C ATOM 957 CD1 TRP A 61 6.994 -11.160 -10.099 1.00 0.33 C ATOM 958 CD2 TRP A 61 4.783 -10.769 -10.059 1.00 0.32 C ATOM 959 NE1 TRP A 61 6.690 -10.381 -11.186 1.00 0.37 N ATOM 960 CE2 TRP A 61 5.332 -10.125 -11.188 1.00 0.36 C ATOM 961 CE3 TRP A 61 3.397 -10.661 -9.826 1.00 0.34 C ATOM 962 CZ2 TRP A 61 4.543 -9.388 -12.081 1.00 0.41 C ATOM 963 CZ3 TRP A 61 2.623 -9.932 -10.716 1.00 0.39 C ATOM 964 CH2 TRP A 61 3.198 -9.306 -11.830 1.00 0.42 C ATOM 0 H TRP A 61 4.504 -9.884 -7.006 1.00 0.24 H new ATOM 0 HA TRP A 61 6.068 -12.179 -6.032 1.00 0.25 H new ATOM 0 HB2 TRP A 61 6.604 -12.983 -8.152 1.00 0.27 H new ATOM 0 HB3 TRP A 61 4.859 -12.819 -8.151 1.00 0.27 H new ATOM 0 HD1 TRP A 61 7.984 -11.513 -9.850 1.00 0.33 H new ATOM 0 HE1 TRP A 61 7.358 -10.045 -11.880 1.00 0.37 H new ATOM 0 HE3 TRP A 61 2.946 -11.138 -8.969 1.00 0.34 H new ATOM 0 HZ2 TRP A 61 4.981 -8.900 -12.940 1.00 0.41 H new ATOM 0 HZ3 TRP A 61 1.560 -9.845 -10.548 1.00 0.39 H new ATOM 0 HH2 TRP A 61 2.568 -8.747 -12.506 1.00 0.42 H new ATOM 975 N LYS A 62 8.225 -10.950 -6.855 1.00 0.27 N ATOM 976 CA LYS A 62 9.382 -10.078 -6.818 1.00 0.29 C ATOM 977 C LYS A 62 10.302 -10.275 -8.019 1.00 0.30 C ATOM 978 O LYS A 62 10.453 -11.376 -8.533 1.00 0.31 O ATOM 979 CB LYS A 62 10.172 -10.332 -5.535 1.00 0.33 C ATOM 980 CG LYS A 62 9.781 -9.433 -4.370 1.00 0.41 C ATOM 981 CD LYS A 62 10.377 -9.938 -3.066 1.00 0.43 C ATOM 982 CE LYS A 62 10.420 -8.857 -2.005 1.00 0.56 C ATOM 983 NZ LYS A 62 11.540 -7.905 -2.216 1.00 0.57 N ATOM 0 H LYS A 62 8.442 -11.946 -6.898 1.00 0.27 H new ATOM 0 HA LYS A 62 9.014 -9.052 -6.849 1.00 0.29 H new ATOM 0 HB2 LYS A 62 10.035 -11.372 -5.238 1.00 0.33 H new ATOM 0 HB3 LYS A 62 11.233 -10.197 -5.743 1.00 0.33 H new ATOM 0 HG2 LYS A 62 10.124 -8.416 -4.560 1.00 0.41 H new ATOM 0 HG3 LYS A 62 8.695 -9.393 -4.286 1.00 0.41 H new ATOM 0 HD2 LYS A 62 9.790 -10.781 -2.701 1.00 0.43 H new ATOM 0 HD3 LYS A 62 11.386 -10.308 -3.248 1.00 0.43 H new ATOM 0 HE2 LYS A 62 9.477 -8.311 -2.007 1.00 0.56 H new ATOM 0 HE3 LYS A 62 10.519 -9.319 -1.023 1.00 0.56 H new ATOM 0 HZ1 LYS A 62 11.667 -7.324 -1.363 1.00 0.57 H new ATOM 0 HZ2 LYS A 62 12.414 -8.435 -2.408 1.00 0.57 H new ATOM 0 HZ3 LYS A 62 11.324 -7.289 -3.026 1.00 0.57 H new ATOM 997 N GLU A 63 10.922 -9.188 -8.441 1.00 0.31 N ATOM 998 CA GLU A 63 11.864 -9.216 -9.548 1.00 0.34 C ATOM 999 C GLU A 63 13.177 -8.600 -9.086 1.00 0.35 C ATOM 1000 O GLU A 63 13.203 -7.466 -8.611 1.00 0.35 O ATOM 1001 CB GLU A 63 11.316 -8.460 -10.762 1.00 0.38 C ATOM 1002 CG GLU A 63 10.023 -9.042 -11.313 1.00 0.46 C ATOM 1003 CD GLU A 63 10.106 -9.389 -12.780 1.00 0.63 C ATOM 1004 OE1 GLU A 63 10.846 -8.710 -13.520 1.00 0.90 O ATOM 1005 OE2 GLU A 63 9.426 -10.348 -13.206 1.00 0.98 O ATOM 0 H GLU A 63 10.789 -8.264 -8.029 1.00 0.31 H new ATOM 0 HA GLU A 63 12.025 -10.249 -9.855 1.00 0.34 H new ATOM 0 HB2 GLU A 63 11.146 -7.420 -10.485 1.00 0.38 H new ATOM 0 HB3 GLU A 63 12.069 -8.461 -11.550 1.00 0.38 H new ATOM 0 HG2 GLU A 63 9.765 -9.938 -10.748 1.00 0.46 H new ATOM 0 HG3 GLU A 63 9.216 -8.326 -11.161 1.00 0.46 H new ATOM 1012 N ILE A 64 14.258 -9.360 -9.184 1.00 0.36 N ATOM 1013 CA ILE A 64 15.567 -8.874 -8.761 1.00 0.39 C ATOM 1014 C ILE A 64 16.108 -7.852 -9.757 1.00 0.38 C ATOM 1015 O ILE A 64 16.633 -8.221 -10.808 1.00 0.39 O ATOM 1016 CB ILE A 64 16.585 -10.027 -8.614 1.00 0.44 C ATOM 1017 CG1 ILE A 64 15.949 -11.214 -7.891 1.00 0.48 C ATOM 1018 CG2 ILE A 64 17.825 -9.550 -7.868 1.00 0.50 C ATOM 1019 CD1 ILE A 64 16.796 -12.465 -7.932 1.00 0.60 C ATOM 0 H ILE A 64 14.257 -10.312 -9.551 1.00 0.36 H new ATOM 0 HA ILE A 64 15.434 -8.403 -7.787 1.00 0.39 H new ATOM 0 HB ILE A 64 16.885 -10.352 -9.610 1.00 0.44 H new ATOM 0 HG12 ILE A 64 15.766 -10.942 -6.852 1.00 0.48 H new ATOM 0 HG13 ILE A 64 14.979 -11.426 -8.340 1.00 0.48 H new ATOM 0 HG21 ILE A 64 18.532 -10.374 -7.773 1.00 0.50 H new ATOM 0 HG22 ILE A 64 18.291 -8.734 -8.421 1.00 0.50 H new ATOM 0 HG23 ILE A 64 17.540 -9.200 -6.876 1.00 0.50 H new ATOM 0 HD11 ILE A 64 16.285 -13.268 -7.400 1.00 0.60 H new ATOM 0 HD12 ILE A 64 16.957 -12.761 -8.968 1.00 0.60 H new ATOM 0 HD13 ILE A 64 17.757 -12.269 -7.457 1.00 0.60 H new ATOM 1031 N VAL A 65 15.978 -6.572 -9.429 1.00 0.38 N ATOM 1032 CA VAL A 65 16.442 -5.508 -10.308 1.00 0.40 C ATOM 1033 C VAL A 65 16.740 -4.239 -9.531 1.00 0.42 C ATOM 1034 O VAL A 65 16.055 -3.947 -8.550 1.00 0.42 O ATOM 1035 CB VAL A 65 15.409 -5.158 -11.407 1.00 0.41 C ATOM 1036 CG1 VAL A 65 15.742 -5.893 -12.718 1.00 0.47 C ATOM 1037 CG2 VAL A 65 13.991 -5.499 -10.953 1.00 0.43 C ATOM 0 H VAL A 65 15.555 -6.247 -8.560 1.00 0.38 H new ATOM 0 HA VAL A 65 17.350 -5.889 -10.775 1.00 0.40 H new ATOM 0 HB VAL A 65 15.461 -4.084 -11.587 1.00 0.41 H new ATOM 0 HG11 VAL A 65 15.005 -5.634 -13.478 1.00 0.47 H new ATOM 0 HG12 VAL A 65 16.734 -5.597 -13.059 1.00 0.47 H new ATOM 0 HG13 VAL A 65 15.724 -6.969 -12.547 1.00 0.47 H new ATOM 0 HG21 VAL A 65 13.285 -5.244 -11.743 1.00 0.43 H new ATOM 0 HG22 VAL A 65 13.924 -6.565 -10.738 1.00 0.43 H new ATOM 0 HG23 VAL A 65 13.751 -4.932 -10.054 1.00 0.43 H new ATOM 1047 N ASP A 66 17.816 -3.557 -9.960 1.00 0.44 N ATOM 1048 CA ASP A 66 18.297 -2.268 -9.417 1.00 0.47 C ATOM 1049 C ASP A 66 19.815 -2.284 -9.343 1.00 0.49 C ATOM 1050 O ASP A 66 20.460 -3.231 -9.810 1.00 0.50 O ATOM 1051 CB ASP A 66 17.733 -1.907 -8.034 1.00 0.49 C ATOM 1052 CG ASP A 66 16.623 -0.876 -8.101 1.00 0.59 C ATOM 1053 OD1 ASP A 66 16.749 0.091 -8.882 1.00 0.91 O ATOM 1054 OD2 ASP A 66 15.635 -1.014 -7.348 1.00 0.89 O ATOM 0 H ASP A 66 18.399 -3.899 -10.724 1.00 0.44 H new ATOM 0 HA ASP A 66 17.935 -1.503 -10.104 1.00 0.47 H new ATOM 0 HB2 ASP A 66 17.355 -2.810 -7.554 1.00 0.49 H new ATOM 0 HB3 ASP A 66 18.539 -1.526 -7.407 1.00 0.49 H new ATOM 1059 N ALA A 67 20.374 -1.234 -8.758 1.00 0.51 N ATOM 1060 CA ALA A 67 21.811 -1.096 -8.610 1.00 0.54 C ATOM 1061 C ALA A 67 22.114 0.122 -7.752 1.00 0.53 C ATOM 1062 O ALA A 67 21.257 1.000 -7.624 1.00 0.52 O ATOM 1063 CB ALA A 67 22.471 -0.961 -9.975 1.00 0.60 C ATOM 0 H ALA A 67 19.841 -0.454 -8.373 1.00 0.51 H new ATOM 0 HA ALA A 67 22.211 -1.986 -8.124 1.00 0.54 H new ATOM 0 HB1 ALA A 67 23.549 -0.858 -9.849 1.00 0.60 H new ATOM 0 HB2 ALA A 67 22.258 -1.848 -10.571 1.00 0.60 H new ATOM 0 HB3 ALA A 67 22.079 -0.080 -10.483 1.00 0.60 H new ATOM 1069 N PRO A 68 23.308 0.171 -7.116 1.00 0.56 N ATOM 1070 CA PRO A 68 23.722 1.299 -6.272 1.00 0.56 C ATOM 1071 C PRO A 68 23.465 2.651 -6.940 1.00 0.56 C ATOM 1072 O PRO A 68 24.266 3.117 -7.753 1.00 0.59 O ATOM 1073 CB PRO A 68 25.222 1.075 -6.093 1.00 0.60 C ATOM 1074 CG PRO A 68 25.425 -0.393 -6.241 1.00 0.82 C ATOM 1075 CD PRO A 68 24.341 -0.891 -7.158 1.00 0.60 C ATOM 0 HA PRO A 68 23.165 1.332 -5.336 1.00 0.56 H new ATOM 0 HB2 PRO A 68 25.793 1.627 -6.839 1.00 0.60 H new ATOM 0 HB3 PRO A 68 25.557 1.421 -5.115 1.00 0.60 H new ATOM 0 HG2 PRO A 68 26.410 -0.607 -6.655 1.00 0.82 H new ATOM 0 HG3 PRO A 68 25.371 -0.890 -5.273 1.00 0.82 H new ATOM 0 HD2 PRO A 68 24.715 -1.042 -8.171 1.00 0.60 H new ATOM 0 HD3 PRO A 68 23.942 -1.847 -6.820 1.00 0.60 H new ATOM 1083 N LYS A 69 22.336 3.261 -6.611 1.00 0.55 N ATOM 1084 CA LYS A 69 21.972 4.543 -7.189 1.00 0.58 C ATOM 1085 C LYS A 69 22.035 5.651 -6.146 1.00 0.56 C ATOM 1086 O LYS A 69 23.083 5.871 -5.544 1.00 0.61 O ATOM 1087 CB LYS A 69 20.592 4.466 -7.845 1.00 0.61 C ATOM 1088 CG LYS A 69 20.639 3.963 -9.282 1.00 0.67 C ATOM 1089 CD LYS A 69 19.254 3.844 -9.888 1.00 0.79 C ATOM 1090 CE LYS A 69 18.437 2.756 -9.210 1.00 1.27 C ATOM 1091 NZ LYS A 69 17.165 2.485 -9.925 1.00 1.12 N ATOM 0 H LYS A 69 21.657 2.888 -5.947 1.00 0.55 H new ATOM 0 HA LYS A 69 22.697 4.787 -7.966 1.00 0.58 H new ATOM 0 HB2 LYS A 69 19.953 3.807 -7.257 1.00 0.61 H new ATOM 0 HB3 LYS A 69 20.133 5.454 -7.827 1.00 0.61 H new ATOM 0 HG2 LYS A 69 21.241 4.643 -9.885 1.00 0.67 H new ATOM 0 HG3 LYS A 69 21.132 2.991 -9.310 1.00 0.67 H new ATOM 0 HD2 LYS A 69 18.735 4.798 -9.799 1.00 0.79 H new ATOM 0 HD3 LYS A 69 19.340 3.625 -10.952 1.00 0.79 H new ATOM 0 HE2 LYS A 69 19.026 1.840 -9.159 1.00 1.27 H new ATOM 0 HE3 LYS A 69 18.219 3.053 -8.184 1.00 1.27 H new ATOM 0 HZ1 LYS A 69 16.879 1.499 -9.762 1.00 1.12 H new ATOM 0 HZ2 LYS A 69 16.425 3.124 -9.571 1.00 1.12 H new ATOM 0 HZ3 LYS A 69 17.299 2.643 -10.944 1.00 1.12 H new ATOM 1105 N ASN A 70 20.920 6.322 -5.896 1.00 0.57 N ATOM 1106 CA ASN A 70 20.896 7.416 -4.935 1.00 0.57 C ATOM 1107 C ASN A 70 19.879 7.137 -3.847 1.00 0.51 C ATOM 1108 O ASN A 70 19.349 8.054 -3.233 1.00 0.52 O ATOM 1109 CB ASN A 70 20.562 8.742 -5.623 1.00 0.61 C ATOM 1110 CG ASN A 70 19.361 8.634 -6.544 1.00 0.59 C ATOM 1111 OD1 ASN A 70 19.508 8.389 -7.742 1.00 0.65 O ATOM 1112 ND2 ASN A 70 18.170 8.819 -6.004 1.00 0.57 N ATOM 0 H ASN A 70 20.023 6.130 -6.343 1.00 0.57 H new ATOM 0 HA ASN A 70 21.888 7.495 -4.490 1.00 0.57 H new ATOM 0 HB2 ASN A 70 20.368 9.501 -4.866 1.00 0.61 H new ATOM 0 HB3 ASN A 70 21.426 9.078 -6.196 1.00 0.61 H new ATOM 0 HD21 ASN A 70 17.333 8.761 -6.584 1.00 0.57 H new ATOM 0 HD22 ASN A 70 18.088 9.020 -5.007 1.00 0.57 H new ATOM 1119 N ARG A 71 19.610 5.860 -3.617 1.00 0.47 N ATOM 1120 CA ARG A 71 18.664 5.466 -2.587 1.00 0.42 C ATOM 1121 C ARG A 71 19.276 5.752 -1.228 1.00 0.45 C ATOM 1122 O ARG A 71 20.503 5.730 -1.094 1.00 0.54 O ATOM 1123 CB ARG A 71 18.300 3.986 -2.725 1.00 0.40 C ATOM 1124 CG ARG A 71 17.111 3.748 -3.644 1.00 0.46 C ATOM 1125 CD ARG A 71 17.548 3.440 -5.067 1.00 0.62 C ATOM 1126 NE ARG A 71 18.084 2.086 -5.191 1.00 0.65 N ATOM 1127 CZ ARG A 71 17.321 0.993 -5.257 1.00 0.89 C ATOM 1128 NH1 ARG A 71 15.997 1.098 -5.251 1.00 1.03 N ATOM 1129 NH2 ARG A 71 17.881 -0.206 -5.327 1.00 1.22 N ATOM 0 H ARG A 71 20.032 5.084 -4.127 1.00 0.47 H new ATOM 0 HA ARG A 71 17.743 6.039 -2.696 1.00 0.42 H new ATOM 0 HB2 ARG A 71 19.162 3.440 -3.107 1.00 0.40 H new ATOM 0 HB3 ARG A 71 18.077 3.579 -1.739 1.00 0.40 H new ATOM 0 HG2 ARG A 71 16.515 2.920 -3.260 1.00 0.46 H new ATOM 0 HG3 ARG A 71 16.470 4.629 -3.644 1.00 0.46 H new ATOM 0 HD2 ARG A 71 16.699 3.558 -5.741 1.00 0.62 H new ATOM 0 HD3 ARG A 71 18.305 4.160 -5.378 1.00 0.62 H new ATOM 0 HE ARG A 71 19.097 1.970 -5.229 1.00 0.65 H new ATOM 0 HH11 ARG A 71 15.559 2.017 -5.196 1.00 1.03 H new ATOM 0 HH12 ARG A 71 15.419 0.259 -5.302 1.00 1.03 H new ATOM 0 HH21 ARG A 71 18.897 -0.295 -5.330 1.00 1.22 H new ATOM 0 HH22 ARG A 71 17.296 -1.040 -5.377 1.00 1.22 H new ATOM 1143 N PRO A 72 18.449 6.015 -0.206 1.00 0.41 N ATOM 1144 CA PRO A 72 18.931 6.339 1.140 1.00 0.45 C ATOM 1145 C PRO A 72 19.932 5.303 1.656 1.00 0.46 C ATOM 1146 O PRO A 72 19.661 4.105 1.635 1.00 0.45 O ATOM 1147 CB PRO A 72 17.650 6.377 1.984 1.00 0.44 C ATOM 1148 CG PRO A 72 16.616 5.693 1.164 1.00 0.39 C ATOM 1149 CD PRO A 72 16.978 5.993 -0.259 1.00 0.37 C ATOM 0 HA PRO A 72 19.480 7.280 1.173 1.00 0.45 H new ATOM 0 HB2 PRO A 72 17.793 5.870 2.938 1.00 0.44 H new ATOM 0 HB3 PRO A 72 17.358 7.403 2.209 1.00 0.44 H new ATOM 0 HG2 PRO A 72 16.613 4.619 1.351 1.00 0.39 H new ATOM 0 HG3 PRO A 72 15.618 6.061 1.402 1.00 0.39 H new ATOM 0 HD2 PRO A 72 16.606 5.230 -0.943 1.00 0.37 H new ATOM 0 HD3 PRO A 72 16.568 6.947 -0.591 1.00 0.37 H new ATOM 1157 N ALA A 73 21.088 5.814 2.104 1.00 0.50 N ATOM 1158 CA ALA A 73 22.227 5.022 2.606 1.00 0.55 C ATOM 1159 C ALA A 73 21.858 3.648 3.173 1.00 0.53 C ATOM 1160 O ALA A 73 22.386 2.631 2.726 1.00 0.55 O ATOM 1161 CB ALA A 73 22.982 5.823 3.663 1.00 0.61 C ATOM 0 H ALA A 73 21.264 6.818 2.129 1.00 0.50 H new ATOM 0 HA ALA A 73 22.852 4.824 1.735 1.00 0.55 H new ATOM 0 HB1 ALA A 73 23.823 5.236 4.032 1.00 0.61 H new ATOM 0 HB2 ALA A 73 23.351 6.749 3.223 1.00 0.61 H new ATOM 0 HB3 ALA A 73 22.312 6.057 4.490 1.00 0.61 H new ATOM 1167 N TRP A 74 20.974 3.627 4.165 1.00 0.52 N ATOM 1168 CA TRP A 74 20.559 2.374 4.813 1.00 0.53 C ATOM 1169 C TRP A 74 20.142 1.277 3.820 1.00 0.50 C ATOM 1170 O TRP A 74 20.467 0.104 4.024 1.00 0.52 O ATOM 1171 CB TRP A 74 19.430 2.635 5.821 1.00 0.55 C ATOM 1172 CG TRP A 74 19.390 4.038 6.322 1.00 0.55 C ATOM 1173 CD1 TRP A 74 20.262 4.614 7.190 1.00 0.61 C ATOM 1174 CD2 TRP A 74 18.426 5.039 5.992 1.00 0.52 C ATOM 1175 NE1 TRP A 74 19.895 5.907 7.428 1.00 0.61 N ATOM 1176 CE2 TRP A 74 18.771 6.193 6.705 1.00 0.55 C ATOM 1177 CE3 TRP A 74 17.302 5.075 5.166 1.00 0.47 C ATOM 1178 CZ2 TRP A 74 18.036 7.368 6.625 1.00 0.55 C ATOM 1179 CZ3 TRP A 74 16.579 6.249 5.087 1.00 0.48 C ATOM 1180 CH2 TRP A 74 16.950 7.380 5.813 1.00 0.51 C ATOM 0 H TRP A 74 20.527 4.462 4.543 1.00 0.52 H new ATOM 0 HA TRP A 74 21.439 1.999 5.336 1.00 0.53 H new ATOM 0 HB2 TRP A 74 18.475 2.398 5.353 1.00 0.55 H new ATOM 0 HB3 TRP A 74 19.547 1.959 6.668 1.00 0.55 H new ATOM 0 HD1 TRP A 74 21.118 4.122 7.627 1.00 0.61 H new ATOM 0 HE1 TRP A 74 20.382 6.556 8.046 1.00 0.61 H new ATOM 0 HE3 TRP A 74 17.004 4.204 4.601 1.00 0.47 H new ATOM 0 HZ2 TRP A 74 18.320 8.243 7.191 1.00 0.55 H new ATOM 0 HZ3 TRP A 74 15.708 6.292 4.450 1.00 0.48 H new ATOM 0 HH2 TRP A 74 16.362 8.282 5.727 1.00 0.51 H new ATOM 1191 N MET A 75 19.434 1.637 2.754 1.00 0.47 N ATOM 1192 CA MET A 75 18.995 0.643 1.773 1.00 0.45 C ATOM 1193 C MET A 75 19.260 1.079 0.329 1.00 0.43 C ATOM 1194 O MET A 75 18.380 1.615 -0.347 1.00 0.43 O ATOM 1195 CB MET A 75 17.507 0.329 1.958 1.00 0.47 C ATOM 1196 CG MET A 75 17.220 -0.641 3.098 1.00 0.66 C ATOM 1197 SD MET A 75 18.124 -2.197 2.943 1.00 1.13 S ATOM 1198 CE MET A 75 17.389 -2.867 1.454 1.00 1.43 C ATOM 0 H MET A 75 19.154 2.595 2.546 1.00 0.47 H new ATOM 0 HA MET A 75 19.585 -0.256 1.953 1.00 0.45 H new ATOM 0 HB2 MET A 75 16.969 1.259 2.141 1.00 0.47 H new ATOM 0 HB3 MET A 75 17.115 -0.089 1.031 1.00 0.47 H new ATOM 0 HG2 MET A 75 17.481 -0.168 4.045 1.00 0.66 H new ATOM 0 HG3 MET A 75 16.151 -0.850 3.130 1.00 0.66 H new ATOM 0 HE1 MET A 75 17.682 -3.911 1.342 1.00 1.43 H new ATOM 0 HE2 MET A 75 16.303 -2.800 1.522 1.00 1.43 H new ATOM 0 HE3 MET A 75 17.734 -2.298 0.590 1.00 1.43 H new ATOM 1208 N PRO A 76 20.489 0.871 -0.156 1.00 0.46 N ATOM 1209 CA PRO A 76 20.883 1.195 -1.513 1.00 0.49 C ATOM 1210 C PRO A 76 20.935 -0.072 -2.384 1.00 0.48 C ATOM 1211 O PRO A 76 19.994 -0.864 -2.373 1.00 0.47 O ATOM 1212 CB PRO A 76 22.275 1.776 -1.274 1.00 0.59 C ATOM 1213 CG PRO A 76 22.808 1.048 -0.070 1.00 0.61 C ATOM 1214 CD PRO A 76 21.637 0.341 0.582 1.00 0.53 C ATOM 0 HA PRO A 76 20.206 1.865 -2.042 1.00 0.49 H new ATOM 0 HB2 PRO A 76 22.918 1.626 -2.141 1.00 0.59 H new ATOM 0 HB3 PRO A 76 22.227 2.850 -1.095 1.00 0.59 H new ATOM 0 HG2 PRO A 76 23.575 0.331 -0.363 1.00 0.61 H new ATOM 0 HG3 PRO A 76 23.272 1.746 0.627 1.00 0.61 H new ATOM 0 HD2 PRO A 76 21.714 -0.742 0.487 1.00 0.53 H new ATOM 0 HD3 PRO A 76 21.572 0.564 1.647 1.00 0.53 H new ATOM 1222 N GLU A 77 22.037 -0.256 -3.132 1.00 0.49 N ATOM 1223 CA GLU A 77 22.242 -1.439 -3.975 1.00 0.49 C ATOM 1224 C GLU A 77 21.048 -1.769 -4.877 1.00 0.47 C ATOM 1225 O GLU A 77 20.531 -0.917 -5.610 1.00 0.47 O ATOM 1226 CB GLU A 77 22.577 -2.643 -3.090 1.00 0.51 C ATOM 1227 CG GLU A 77 23.944 -2.563 -2.434 1.00 0.60 C ATOM 1228 CD GLU A 77 25.054 -2.987 -3.368 1.00 0.75 C ATOM 1229 OE1 GLU A 77 24.793 -3.803 -4.279 1.00 1.25 O ATOM 1230 OE2 GLU A 77 26.189 -2.504 -3.205 1.00 1.38 O ATOM 0 H GLU A 77 22.807 0.412 -3.167 1.00 0.49 H new ATOM 0 HA GLU A 77 23.072 -1.208 -4.643 1.00 0.49 H new ATOM 0 HB2 GLU A 77 21.817 -2.734 -2.314 1.00 0.51 H new ATOM 0 HB3 GLU A 77 22.527 -3.550 -3.693 1.00 0.51 H new ATOM 0 HG2 GLU A 77 24.124 -1.542 -2.099 1.00 0.60 H new ATOM 0 HG3 GLU A 77 23.957 -3.196 -1.547 1.00 0.60 H new ATOM 1237 N LYS A 78 20.600 -3.008 -4.789 1.00 0.46 N ATOM 1238 CA LYS A 78 19.514 -3.497 -5.604 1.00 0.45 C ATOM 1239 C LYS A 78 18.557 -4.265 -4.726 1.00 0.42 C ATOM 1240 O LYS A 78 18.972 -4.906 -3.759 1.00 0.44 O ATOM 1241 CB LYS A 78 20.042 -4.392 -6.735 1.00 0.50 C ATOM 1242 CG LYS A 78 20.912 -5.548 -6.257 1.00 0.55 C ATOM 1243 CD LYS A 78 22.387 -5.198 -6.351 1.00 0.66 C ATOM 1244 CE LYS A 78 23.262 -6.287 -5.757 1.00 0.78 C ATOM 1245 NZ LYS A 78 24.703 -5.964 -5.895 1.00 0.90 N ATOM 0 H LYS A 78 20.983 -3.702 -4.147 1.00 0.46 H new ATOM 0 HA LYS A 78 18.997 -2.654 -6.063 1.00 0.45 H new ATOM 0 HB2 LYS A 78 19.195 -4.794 -7.291 1.00 0.50 H new ATOM 0 HB3 LYS A 78 20.618 -3.780 -7.429 1.00 0.50 H new ATOM 0 HG2 LYS A 78 20.659 -5.796 -5.226 1.00 0.55 H new ATOM 0 HG3 LYS A 78 20.706 -6.434 -6.857 1.00 0.55 H new ATOM 0 HD2 LYS A 78 22.658 -5.043 -7.395 1.00 0.66 H new ATOM 0 HD3 LYS A 78 22.572 -4.258 -5.830 1.00 0.66 H new ATOM 0 HE2 LYS A 78 23.017 -6.417 -4.703 1.00 0.78 H new ATOM 0 HE3 LYS A 78 23.052 -7.235 -6.253 1.00 0.78 H new ATOM 0 HZ1 LYS A 78 25.269 -6.819 -5.719 1.00 0.90 H new ATOM 0 HZ2 LYS A 78 24.890 -5.617 -6.857 1.00 0.90 H new ATOM 0 HZ3 LYS A 78 24.962 -5.229 -5.206 1.00 0.90 H new ATOM 1259 N ILE A 79 17.283 -4.212 -5.055 1.00 0.40 N ATOM 1260 CA ILE A 79 16.280 -4.888 -4.261 1.00 0.39 C ATOM 1261 C ILE A 79 15.256 -5.560 -5.146 1.00 0.36 C ATOM 1262 O ILE A 79 14.943 -5.078 -6.233 1.00 0.36 O ATOM 1263 CB ILE A 79 15.556 -3.901 -3.310 1.00 0.40 C ATOM 1264 CG1 ILE A 79 15.089 -2.662 -4.085 1.00 0.46 C ATOM 1265 CG2 ILE A 79 16.467 -3.501 -2.155 1.00 0.49 C ATOM 1266 CD1 ILE A 79 14.096 -1.807 -3.329 1.00 0.59 C ATOM 0 H ILE A 79 16.919 -3.709 -5.864 1.00 0.40 H new ATOM 0 HA ILE A 79 16.796 -5.641 -3.666 1.00 0.39 H new ATOM 0 HB ILE A 79 14.681 -4.400 -2.894 1.00 0.40 H new ATOM 0 HG12 ILE A 79 15.958 -2.055 -4.339 1.00 0.46 H new ATOM 0 HG13 ILE A 79 14.638 -2.981 -5.025 1.00 0.46 H new ATOM 0 HG21 ILE A 79 15.940 -2.808 -1.499 1.00 0.49 H new ATOM 0 HG22 ILE A 79 16.751 -4.389 -1.591 1.00 0.49 H new ATOM 0 HG23 ILE A 79 17.362 -3.019 -2.548 1.00 0.49 H new ATOM 0 HD11 ILE A 79 13.813 -0.951 -3.941 1.00 0.59 H new ATOM 0 HD12 ILE A 79 13.209 -2.397 -3.098 1.00 0.59 H new ATOM 0 HD13 ILE A 79 14.549 -1.456 -2.402 1.00 0.59 H new ATOM 1278 N SER A 80 14.755 -6.695 -4.700 1.00 0.35 N ATOM 1279 CA SER A 80 13.744 -7.404 -5.443 1.00 0.34 C ATOM 1280 C SER A 80 12.465 -6.565 -5.452 1.00 0.33 C ATOM 1281 O SER A 80 11.853 -6.347 -4.402 1.00 0.35 O ATOM 1282 CB SER A 80 13.512 -8.770 -4.808 1.00 0.36 C ATOM 1283 OG SER A 80 13.822 -8.742 -3.421 1.00 0.64 O ATOM 0 H SER A 80 15.034 -7.142 -3.827 1.00 0.35 H new ATOM 0 HA SER A 80 14.063 -7.564 -6.473 1.00 0.34 H new ATOM 0 HB2 SER A 80 12.473 -9.069 -4.947 1.00 0.36 H new ATOM 0 HB3 SER A 80 14.128 -9.518 -5.308 1.00 0.36 H new ATOM 0 HG SER A 80 13.665 -9.628 -3.033 1.00 0.64 H new ATOM 1289 N LYS A 81 12.069 -6.089 -6.623 1.00 0.31 N ATOM 1290 CA LYS A 81 10.892 -5.246 -6.754 1.00 0.31 C ATOM 1291 C LYS A 81 9.630 -6.073 -6.572 1.00 0.30 C ATOM 1292 O LYS A 81 9.460 -7.090 -7.239 1.00 0.30 O ATOM 1293 CB LYS A 81 10.889 -4.584 -8.131 1.00 0.32 C ATOM 1294 CG LYS A 81 10.681 -3.078 -8.098 1.00 0.45 C ATOM 1295 CD LYS A 81 11.892 -2.347 -7.531 1.00 0.60 C ATOM 1296 CE LYS A 81 12.007 -0.948 -8.114 1.00 0.81 C ATOM 1297 NZ LYS A 81 13.159 -0.200 -7.550 1.00 0.98 N ATOM 0 H LYS A 81 12.551 -6.275 -7.503 1.00 0.31 H new ATOM 0 HA LYS A 81 10.917 -4.476 -5.983 1.00 0.31 H new ATOM 0 HB2 LYS A 81 11.836 -4.798 -8.627 1.00 0.32 H new ATOM 0 HB3 LYS A 81 10.103 -5.035 -8.737 1.00 0.32 H new ATOM 0 HG2 LYS A 81 10.480 -2.718 -9.107 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.803 -2.846 -7.495 1.00 0.45 H new ATOM 0 HD2 LYS A 81 11.809 -2.287 -6.446 1.00 0.60 H new ATOM 0 HD3 LYS A 81 12.798 -2.912 -7.751 1.00 0.60 H new ATOM 0 HE2 LYS A 81 12.114 -1.015 -9.197 1.00 0.81 H new ATOM 0 HE3 LYS A 81 11.087 -0.397 -7.918 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 13.334 0.651 -8.122 1.00 0.98 H new ATOM 0 HZ2 LYS A 81 12.946 0.079 -6.571 1.00 0.98 H new ATOM 0 HZ3 LYS A 81 14.005 -0.805 -7.561 1.00 0.98 H new ATOM 1311 N PRO A 82 8.748 -5.677 -5.644 1.00 0.32 N ATOM 1312 CA PRO A 82 7.510 -6.391 -5.390 1.00 0.33 C ATOM 1313 C PRO A 82 6.345 -5.858 -6.226 1.00 0.31 C ATOM 1314 O PRO A 82 6.146 -4.649 -6.343 1.00 0.34 O ATOM 1315 CB PRO A 82 7.283 -6.143 -3.902 1.00 0.38 C ATOM 1316 CG PRO A 82 8.028 -4.886 -3.561 1.00 0.48 C ATOM 1317 CD PRO A 82 8.887 -4.520 -4.746 1.00 0.36 C ATOM 0 HA PRO A 82 7.570 -7.446 -5.657 1.00 0.33 H new ATOM 0 HB2 PRO A 82 6.220 -6.035 -3.684 1.00 0.38 H new ATOM 0 HB3 PRO A 82 7.646 -6.982 -3.309 1.00 0.38 H new ATOM 0 HG2 PRO A 82 7.331 -4.080 -3.331 1.00 0.48 H new ATOM 0 HG3 PRO A 82 8.645 -5.036 -2.675 1.00 0.48 H new ATOM 0 HD2 PRO A 82 8.545 -3.601 -5.221 1.00 0.36 H new ATOM 0 HD3 PRO A 82 9.925 -4.361 -4.455 1.00 0.36 H new ATOM 1325 N PHE A 83 5.585 -6.773 -6.809 1.00 0.30 N ATOM 1326 CA PHE A 83 4.459 -6.403 -7.658 1.00 0.29 C ATOM 1327 C PHE A 83 3.117 -6.611 -6.967 1.00 0.28 C ATOM 1328 O PHE A 83 2.675 -7.738 -6.746 1.00 0.27 O ATOM 1329 CB PHE A 83 4.519 -7.166 -8.984 1.00 0.30 C ATOM 1330 CG PHE A 83 5.693 -6.761 -9.823 1.00 0.33 C ATOM 1331 CD1 PHE A 83 6.975 -7.042 -9.398 1.00 0.39 C ATOM 1332 CD2 PHE A 83 5.517 -6.082 -11.018 1.00 0.36 C ATOM 1333 CE1 PHE A 83 8.066 -6.660 -10.135 1.00 0.43 C ATOM 1334 CE2 PHE A 83 6.609 -5.691 -11.770 1.00 0.40 C ATOM 1335 CZ PHE A 83 7.890 -5.979 -11.327 1.00 0.42 C ATOM 0 H PHE A 83 5.727 -7.778 -6.710 1.00 0.30 H new ATOM 0 HA PHE A 83 4.542 -5.335 -7.862 1.00 0.29 H new ATOM 0 HB2 PHE A 83 4.572 -8.236 -8.782 1.00 0.30 H new ATOM 0 HB3 PHE A 83 3.599 -6.992 -9.542 1.00 0.30 H new ATOM 0 HD1 PHE A 83 7.122 -7.572 -8.469 1.00 0.39 H new ATOM 0 HD2 PHE A 83 4.519 -5.857 -11.364 1.00 0.36 H new ATOM 0 HE1 PHE A 83 9.062 -6.890 -9.786 1.00 0.43 H new ATOM 0 HE2 PHE A 83 6.464 -5.162 -12.701 1.00 0.40 H new ATOM 0 HZ PHE A 83 8.747 -5.674 -11.909 1.00 0.42 H new ATOM 1345 N VAL A 84 2.508 -5.488 -6.617 1.00 0.27 N ATOM 1346 CA VAL A 84 1.205 -5.459 -5.959 1.00 0.27 C ATOM 1347 C VAL A 84 0.096 -5.760 -6.974 1.00 0.28 C ATOM 1348 O VAL A 84 -0.345 -4.876 -7.713 1.00 0.30 O ATOM 1349 CB VAL A 84 0.941 -4.061 -5.292 1.00 0.28 C ATOM 1350 CG1 VAL A 84 -0.509 -3.909 -4.763 1.00 0.29 C ATOM 1351 CG2 VAL A 84 1.953 -3.770 -4.165 1.00 0.28 C ATOM 0 H VAL A 84 2.905 -4.563 -6.782 1.00 0.27 H new ATOM 0 HA VAL A 84 1.204 -6.221 -5.180 1.00 0.27 H new ATOM 0 HB VAL A 84 1.076 -3.324 -6.083 1.00 0.28 H new ATOM 0 HG11 VAL A 84 -0.631 -2.924 -4.313 1.00 0.29 H new ATOM 0 HG12 VAL A 84 -1.211 -4.020 -5.589 1.00 0.29 H new ATOM 0 HG13 VAL A 84 -0.705 -4.676 -4.014 1.00 0.29 H new ATOM 0 HG21 VAL A 84 1.739 -2.795 -3.727 1.00 0.28 H new ATOM 0 HG22 VAL A 84 1.872 -4.539 -3.396 1.00 0.28 H new ATOM 0 HG23 VAL A 84 2.963 -3.771 -4.574 1.00 0.28 H new ATOM 1361 N LYS A 85 -0.325 -7.017 -7.029 1.00 0.28 N ATOM 1362 CA LYS A 85 -1.389 -7.425 -7.934 1.00 0.29 C ATOM 1363 C LYS A 85 -2.695 -7.534 -7.148 1.00 0.28 C ATOM 1364 O LYS A 85 -2.918 -8.503 -6.424 1.00 0.28 O ATOM 1365 CB LYS A 85 -1.049 -8.763 -8.618 1.00 0.30 C ATOM 1366 CG LYS A 85 -1.894 -9.054 -9.857 1.00 0.33 C ATOM 1367 CD LYS A 85 -3.273 -9.586 -9.491 1.00 0.34 C ATOM 1368 CE LYS A 85 -4.272 -9.396 -10.622 1.00 0.38 C ATOM 1369 NZ LYS A 85 -5.675 -9.522 -10.150 1.00 0.40 N ATOM 0 H LYS A 85 0.055 -7.771 -6.457 1.00 0.28 H new ATOM 0 HA LYS A 85 -1.499 -6.677 -8.719 1.00 0.29 H new ATOM 0 HB2 LYS A 85 0.004 -8.759 -8.900 1.00 0.30 H new ATOM 0 HB3 LYS A 85 -1.183 -9.572 -7.900 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -2.001 -8.143 -10.446 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -1.379 -9.781 -10.485 1.00 0.33 H new ATOM 0 HD2 LYS A 85 -3.200 -10.645 -9.245 1.00 0.34 H new ATOM 0 HD3 LYS A 85 -3.634 -9.076 -8.598 1.00 0.34 H new ATOM 0 HE2 LYS A 85 -4.128 -8.414 -11.073 1.00 0.38 H new ATOM 0 HE3 LYS A 85 -4.083 -10.135 -11.401 1.00 0.38 H new ATOM 0 HZ1 LYS A 85 -6.323 -9.437 -10.959 1.00 0.40 H new ATOM 0 HZ2 LYS A 85 -5.807 -10.449 -9.697 1.00 0.40 H new ATOM 0 HZ3 LYS A 85 -5.879 -8.769 -9.463 1.00 0.40 H new ATOM 1383 N LYS A 86 -3.543 -6.525 -7.293 1.00 0.29 N ATOM 1384 CA LYS A 86 -4.832 -6.476 -6.603 1.00 0.29 C ATOM 1385 C LYS A 86 -5.717 -7.656 -7.018 1.00 0.28 C ATOM 1386 O LYS A 86 -6.218 -7.678 -8.142 1.00 0.29 O ATOM 1387 CB LYS A 86 -5.541 -5.163 -6.961 1.00 0.33 C ATOM 1388 CG LYS A 86 -6.050 -4.380 -5.768 1.00 0.53 C ATOM 1389 CD LYS A 86 -5.032 -3.368 -5.275 1.00 0.84 C ATOM 1390 CE LYS A 86 -5.625 -2.454 -4.207 1.00 0.94 C ATOM 1391 NZ LYS A 86 -6.787 -1.667 -4.711 1.00 0.56 N ATOM 0 H LYS A 86 -3.361 -5.718 -7.890 1.00 0.29 H new ATOM 0 HA LYS A 86 -4.658 -6.533 -5.529 1.00 0.29 H new ATOM 0 HB2 LYS A 86 -4.852 -4.535 -7.525 1.00 0.33 H new ATOM 0 HB3 LYS A 86 -6.381 -5.386 -7.619 1.00 0.33 H new ATOM 0 HG2 LYS A 86 -6.971 -3.865 -6.039 1.00 0.53 H new ATOM 0 HG3 LYS A 86 -6.296 -5.069 -4.960 1.00 0.53 H new ATOM 0 HD2 LYS A 86 -4.166 -3.890 -4.869 1.00 0.84 H new ATOM 0 HD3 LYS A 86 -4.678 -2.768 -6.113 1.00 0.84 H new ATOM 0 HE2 LYS A 86 -5.940 -3.054 -3.353 1.00 0.94 H new ATOM 0 HE3 LYS A 86 -4.855 -1.771 -3.850 1.00 0.94 H new ATOM 0 HZ1 LYS A 86 -6.951 -0.851 -4.087 1.00 0.56 H new ATOM 0 HZ2 LYS A 86 -6.587 -1.331 -5.675 1.00 0.56 H new ATOM 0 HZ3 LYS A 86 -7.635 -2.269 -4.724 1.00 0.56 H new ATOM 1405 N GLU A 87 -5.883 -8.659 -6.141 1.00 0.27 N ATOM 1406 CA GLU A 87 -6.725 -9.798 -6.478 1.00 0.28 C ATOM 1407 C GLU A 87 -8.179 -9.460 -6.200 1.00 0.28 C ATOM 1408 O GLU A 87 -8.929 -9.137 -7.120 1.00 0.30 O ATOM 1409 CB GLU A 87 -6.288 -11.053 -5.717 1.00 0.31 C ATOM 1410 CG GLU A 87 -6.526 -12.333 -6.499 1.00 0.35 C ATOM 1411 CD GLU A 87 -5.682 -12.419 -7.755 1.00 0.40 C ATOM 1412 OE1 GLU A 87 -5.997 -11.715 -8.738 1.00 0.86 O ATOM 1413 OE2 GLU A 87 -4.703 -13.194 -7.765 1.00 0.86 O ATOM 0 H GLU A 87 -5.453 -8.698 -5.217 1.00 0.27 H new ATOM 0 HA GLU A 87 -6.616 -10.014 -7.541 1.00 0.28 H new ATOM 0 HB2 GLU A 87 -5.228 -10.974 -5.474 1.00 0.31 H new ATOM 0 HB3 GLU A 87 -6.829 -11.105 -4.772 1.00 0.31 H new ATOM 0 HG2 GLU A 87 -6.308 -13.189 -5.861 1.00 0.35 H new ATOM 0 HG3 GLU A 87 -7.580 -12.397 -6.770 1.00 0.35 H new ATOM 1420 N ARG A 88 -8.580 -9.497 -4.929 1.00 0.29 N ATOM 1421 CA ARG A 88 -9.945 -9.168 -4.579 1.00 0.29 C ATOM 1422 C ARG A 88 -10.086 -8.887 -3.084 1.00 0.30 C ATOM 1423 O ARG A 88 -9.837 -9.755 -2.247 1.00 0.37 O ATOM 1424 CB ARG A 88 -10.923 -10.286 -4.980 1.00 0.33 C ATOM 1425 CG ARG A 88 -12.301 -9.776 -5.407 1.00 0.34 C ATOM 1426 CD ARG A 88 -12.895 -8.817 -4.366 1.00 0.33 C ATOM 1427 NE ARG A 88 -14.300 -8.467 -4.604 1.00 0.37 N ATOM 1428 CZ ARG A 88 -15.333 -9.246 -4.261 1.00 0.50 C ATOM 1429 NH1 ARG A 88 -15.137 -10.365 -3.568 1.00 0.58 N ATOM 1430 NH2 ARG A 88 -16.569 -8.873 -4.564 1.00 0.67 N ATOM 0 H ARG A 88 -7.983 -9.749 -4.141 1.00 0.29 H new ATOM 0 HA ARG A 88 -10.197 -8.266 -5.137 1.00 0.29 H new ATOM 0 HB2 ARG A 88 -10.489 -10.860 -5.798 1.00 0.33 H new ATOM 0 HB3 ARG A 88 -11.043 -10.970 -4.140 1.00 0.33 H new ATOM 0 HG2 ARG A 88 -12.220 -9.267 -6.367 1.00 0.34 H new ATOM 0 HG3 ARG A 88 -12.974 -10.621 -5.550 1.00 0.34 H new ATOM 0 HD2 ARG A 88 -12.807 -9.271 -3.379 1.00 0.33 H new ATOM 0 HD3 ARG A 88 -12.302 -7.903 -4.351 1.00 0.33 H new ATOM 0 HE ARG A 88 -14.502 -7.576 -5.058 1.00 0.37 H new ATOM 0 HH11 ARG A 88 -14.193 -10.636 -3.293 1.00 0.58 H new ATOM 0 HH12 ARG A 88 -15.931 -10.952 -3.312 1.00 0.58 H new ATOM 0 HH21 ARG A 88 -16.730 -7.995 -5.057 1.00 0.67 H new ATOM 0 HH22 ARG A 88 -17.358 -9.464 -4.304 1.00 0.67 H new ATOM 1444 N ILE A 89 -10.474 -7.664 -2.778 1.00 0.27 N ATOM 1445 CA ILE A 89 -10.725 -7.254 -1.409 1.00 0.27 C ATOM 1446 C ILE A 89 -12.178 -7.586 -1.087 1.00 0.28 C ATOM 1447 O ILE A 89 -13.086 -7.133 -1.784 1.00 0.30 O ATOM 1448 CB ILE A 89 -10.465 -5.749 -1.213 1.00 0.28 C ATOM 1449 CG1 ILE A 89 -8.991 -5.438 -1.509 1.00 0.31 C ATOM 1450 CG2 ILE A 89 -10.836 -5.321 0.210 1.00 0.28 C ATOM 1451 CD1 ILE A 89 -8.589 -4.007 -1.216 1.00 0.42 C ATOM 0 H ILE A 89 -10.624 -6.928 -3.469 1.00 0.27 H new ATOM 0 HA ILE A 89 -10.048 -7.783 -0.738 1.00 0.27 H new ATOM 0 HB ILE A 89 -11.090 -5.185 -1.906 1.00 0.28 H new ATOM 0 HG12 ILE A 89 -8.364 -6.108 -0.920 1.00 0.31 H new ATOM 0 HG13 ILE A 89 -8.789 -5.653 -2.558 1.00 0.31 H new ATOM 0 HG21 ILE A 89 -10.646 -4.255 0.330 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -11.892 -5.523 0.387 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -10.234 -5.880 0.927 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -7.534 -3.870 -1.452 1.00 0.42 H new ATOM 0 HD12 ILE A 89 -9.188 -3.329 -1.824 1.00 0.42 H new ATOM 0 HD13 ILE A 89 -8.756 -3.791 -0.161 1.00 0.42 H new ATOM 1463 N GLU A 90 -12.415 -8.368 -0.047 1.00 0.28 N ATOM 1464 CA GLU A 90 -13.778 -8.765 0.284 1.00 0.31 C ATOM 1465 C GLU A 90 -14.481 -7.635 1.013 1.00 0.30 C ATOM 1466 O GLU A 90 -13.819 -6.753 1.563 1.00 0.29 O ATOM 1467 CB GLU A 90 -13.778 -10.038 1.125 1.00 0.35 C ATOM 1468 CG GLU A 90 -13.079 -11.209 0.448 1.00 0.45 C ATOM 1469 CD GLU A 90 -13.708 -11.579 -0.882 1.00 0.59 C ATOM 1470 OE1 GLU A 90 -14.772 -12.228 -0.876 1.00 0.77 O ATOM 1471 OE2 GLU A 90 -13.138 -11.233 -1.943 1.00 0.80 O ATOM 0 H GLU A 90 -11.696 -8.737 0.575 1.00 0.28 H new ATOM 0 HA GLU A 90 -14.319 -8.975 -0.639 1.00 0.31 H new ATOM 0 HB2 GLU A 90 -13.290 -9.835 2.078 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -14.808 -10.318 1.347 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -12.030 -10.959 0.292 1.00 0.45 H new ATOM 0 HG3 GLU A 90 -13.105 -12.074 1.110 1.00 0.45 H new ATOM 1478 N LYS A 91 -15.808 -7.686 1.069 1.00 0.34 N ATOM 1479 CA LYS A 91 -16.582 -6.629 1.695 1.00 0.36 C ATOM 1480 C LYS A 91 -17.374 -7.176 2.872 1.00 0.39 C ATOM 1481 O LYS A 91 -17.853 -8.312 2.832 1.00 0.43 O ATOM 1482 CB LYS A 91 -17.571 -6.017 0.693 1.00 0.39 C ATOM 1483 CG LYS A 91 -16.935 -5.387 -0.536 1.00 0.36 C ATOM 1484 CD LYS A 91 -17.960 -4.594 -1.342 1.00 0.50 C ATOM 1485 CE LYS A 91 -17.346 -3.953 -2.574 1.00 0.48 C ATOM 1486 NZ LYS A 91 -16.595 -2.712 -2.252 1.00 0.82 N ATOM 0 H LYS A 91 -16.366 -8.450 0.687 1.00 0.34 H new ATOM 0 HA LYS A 91 -15.883 -5.866 2.038 1.00 0.36 H new ATOM 0 HB2 LYS A 91 -18.262 -6.794 0.367 1.00 0.39 H new ATOM 0 HB3 LYS A 91 -18.162 -5.259 1.206 1.00 0.39 H new ATOM 0 HG2 LYS A 91 -16.121 -4.730 -0.231 1.00 0.36 H new ATOM 0 HG3 LYS A 91 -16.499 -6.165 -1.162 1.00 0.36 H new ATOM 0 HD2 LYS A 91 -18.772 -5.255 -1.644 1.00 0.50 H new ATOM 0 HD3 LYS A 91 -18.397 -3.820 -0.711 1.00 0.50 H new ATOM 0 HE2 LYS A 91 -16.676 -4.665 -3.055 1.00 0.48 H new ATOM 0 HE3 LYS A 91 -18.134 -3.722 -3.291 1.00 0.48 H new ATOM 0 HZ1 LYS A 91 -16.195 -2.312 -3.125 1.00 0.82 H new ATOM 0 HZ2 LYS A 91 -17.238 -2.020 -1.817 1.00 0.82 H new ATOM 0 HZ3 LYS A 91 -15.825 -2.934 -1.589 1.00 0.82 H new ATOM 1500 N LEU A 92 -17.492 -6.374 3.913 1.00 0.41 N ATOM 1501 CA LEU A 92 -18.258 -6.740 5.089 1.00 0.45 C ATOM 1502 C LEU A 92 -18.687 -5.464 5.798 1.00 0.46 C ATOM 1503 O LEU A 92 -17.857 -4.602 6.101 1.00 0.46 O ATOM 1504 CB LEU A 92 -17.444 -7.651 6.016 1.00 0.47 C ATOM 1505 CG LEU A 92 -18.183 -8.164 7.258 1.00 0.53 C ATOM 1506 CD1 LEU A 92 -19.434 -8.935 6.871 1.00 0.63 C ATOM 1507 CD2 LEU A 92 -17.267 -9.035 8.102 1.00 0.56 C ATOM 0 H LEU A 92 -17.060 -5.452 3.967 1.00 0.41 H new ATOM 0 HA LEU A 92 -19.142 -7.305 4.794 1.00 0.45 H new ATOM 0 HB2 LEU A 92 -17.099 -8.510 5.440 1.00 0.47 H new ATOM 0 HB3 LEU A 92 -16.557 -7.108 6.342 1.00 0.47 H new ATOM 0 HG LEU A 92 -18.486 -7.299 7.848 1.00 0.53 H new ATOM 0 HD11 LEU A 92 -19.938 -9.287 7.771 1.00 0.63 H new ATOM 0 HD12 LEU A 92 -20.105 -8.283 6.311 1.00 0.63 H new ATOM 0 HD13 LEU A 92 -19.158 -9.789 6.252 1.00 0.63 H new ATOM 0 HD21 LEU A 92 -17.809 -9.390 8.979 1.00 0.56 H new ATOM 0 HD22 LEU A 92 -16.932 -9.888 7.513 1.00 0.56 H new ATOM 0 HD23 LEU A 92 -16.403 -8.452 8.421 1.00 0.56 H new