USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 589 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+ 144:sc= 0.00181 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00848 X(o=-0.0085,f=-0.25) USER MOD Single : A 19 ASN : amide:sc= -0.746 K(o=-0.75,f=-1.3) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.0021) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.492 -0.932 -2.031 1.00 3.21 N ATOM 2 CA MET A 1 4.079 -2.308 -1.784 1.00 70.43 C ATOM 3 C MET A 1 4.275 -3.166 -3.030 1.00 64.50 C ATOM 4 O MET A 1 3.891 -2.776 -4.131 1.00 52.04 O ATOM 5 CB MET A 1 2.614 -2.353 -1.346 1.00 11.20 C ATOM 6 CG MET A 1 2.175 -3.713 -0.829 1.00 22.21 C ATOM 7 SD MET A 1 0.799 -3.605 0.331 1.00 3.34 S ATOM 8 CE MET A 1 0.426 -5.339 0.577 1.00 23.24 C ATOM 0 H1 MET A 1 3.861 -0.283 -1.518 1.00 3.21 H new ATOM 0 H2 MET A 1 5.469 -0.798 -1.701 1.00 3.21 H new ATOM 0 H3 MET A 1 4.440 -0.732 -3.050 1.00 3.21 H new ATOM 0 HA MET A 1 4.702 -2.710 -0.985 1.00 70.43 H new ATOM 0 HB2 MET A 1 2.454 -1.608 -0.567 1.00 11.20 H new ATOM 0 HB3 MET A 1 1.983 -2.073 -2.189 1.00 11.20 H new ATOM 0 HG2 MET A 1 1.886 -4.342 -1.671 1.00 22.21 H new ATOM 0 HG3 MET A 1 3.019 -4.201 -0.341 1.00 22.21 H new ATOM 0 HE1 MET A 1 -0.407 -5.437 1.273 1.00 23.24 H new ATOM 0 HE2 MET A 1 0.157 -5.792 -0.377 1.00 23.24 H new ATOM 0 HE3 MET A 1 1.301 -5.845 0.985 1.00 23.24 H new ATOM 18 N GLY A 2 4.877 -4.338 -2.848 1.00 21.14 N ATOM 19 CA GLY A 2 5.114 -5.232 -3.966 1.00 22.33 C ATOM 20 C GLY A 2 6.588 -5.378 -4.289 1.00 71.12 C ATOM 21 O GLY A 2 6.952 -5.795 -5.389 1.00 43.44 O ATOM 0 H GLY A 2 5.205 -4.684 -1.946 1.00 21.14 H new ATOM 0 HA2 GLY A 2 4.696 -6.213 -3.738 1.00 22.33 H new ATOM 0 HA3 GLY A 2 4.588 -4.858 -4.844 1.00 22.33 H new ATOM 25 N THR A 3 7.440 -5.033 -3.329 1.00 1.31 N ATOM 26 CA THR A 3 8.882 -5.124 -3.518 1.00 23.34 C ATOM 27 C THR A 3 9.561 -5.720 -2.289 1.00 52.42 C ATOM 28 O THR A 3 9.122 -5.502 -1.160 1.00 11.35 O ATOM 29 CB THR A 3 9.499 -3.744 -3.812 1.00 61.04 C ATOM 30 OG1 THR A 3 9.034 -2.785 -2.856 1.00 20.21 O ATOM 31 CG2 THR A 3 9.143 -3.281 -5.217 1.00 13.21 C ATOM 0 H THR A 3 7.156 -4.688 -2.412 1.00 1.31 H new ATOM 0 HA THR A 3 9.047 -5.777 -4.375 1.00 23.34 H new ATOM 0 HB THR A 3 10.583 -3.832 -3.739 1.00 61.04 H new ATOM 0 HG1 THR A 3 9.433 -1.911 -3.049 1.00 20.21 H new ATOM 0 HG21 THR A 3 9.590 -2.304 -5.402 1.00 13.21 H new ATOM 0 HG22 THR A 3 9.524 -3.998 -5.944 1.00 13.21 H new ATOM 0 HG23 THR A 3 8.060 -3.209 -5.313 1.00 13.21 H new ATOM 39 N ILE A 4 10.633 -6.471 -2.517 1.00 12.10 N ATOM 40 CA ILE A 4 11.373 -7.096 -1.428 1.00 14.25 C ATOM 41 C ILE A 4 11.742 -6.075 -0.357 1.00 14.41 C ATOM 42 O ILE A 4 11.667 -6.359 0.839 1.00 53.23 O ATOM 43 CB ILE A 4 12.657 -7.776 -1.937 1.00 21.03 C ATOM 44 CG1 ILE A 4 12.316 -8.844 -2.978 1.00 23.22 C ATOM 45 CG2 ILE A 4 13.429 -8.387 -0.776 1.00 53.44 C ATOM 46 CD1 ILE A 4 11.365 -9.904 -2.467 1.00 52.44 C ATOM 0 H ILE A 4 11.008 -6.661 -3.446 1.00 12.10 H new ATOM 0 HA ILE A 4 10.718 -7.853 -0.995 1.00 14.25 H new ATOM 0 HB ILE A 4 13.287 -7.022 -2.410 1.00 21.03 H new ATOM 0 HG12 ILE A 4 11.875 -8.362 -3.850 1.00 23.22 H new ATOM 0 HG13 ILE A 4 13.237 -9.323 -3.310 1.00 23.22 H new ATOM 0 HG21 ILE A 4 14.334 -8.864 -1.152 1.00 53.44 H new ATOM 0 HG22 ILE A 4 13.699 -7.605 -0.067 1.00 53.44 H new ATOM 0 HG23 ILE A 4 12.807 -9.130 -0.277 1.00 53.44 H new ATOM 0 HD11 ILE A 4 11.168 -10.628 -3.258 1.00 52.44 H new ATOM 0 HD12 ILE A 4 11.812 -10.413 -1.613 1.00 52.44 H new ATOM 0 HD13 ILE A 4 10.429 -9.436 -2.162 1.00 52.44 H new ATOM 58 N ASP A 5 12.138 -4.885 -0.794 1.00 44.41 N ATOM 59 CA ASP A 5 12.516 -3.819 0.127 1.00 45.13 C ATOM 60 C ASP A 5 11.412 -3.566 1.148 1.00 20.13 C ATOM 61 O ASP A 5 11.680 -3.159 2.279 1.00 71.30 O ATOM 62 CB ASP A 5 12.819 -2.533 -0.644 1.00 61.13 C ATOM 63 CG ASP A 5 14.296 -2.192 -0.645 1.00 24.42 C ATOM 64 OD1 ASP A 5 15.076 -2.934 -1.279 1.00 34.04 O ATOM 65 OD2 ASP A 5 14.673 -1.185 -0.011 1.00 4.45 O ATOM 0 H ASP A 5 12.206 -4.634 -1.780 1.00 44.41 H new ATOM 0 HA ASP A 5 13.413 -4.134 0.660 1.00 45.13 H new ATOM 0 HB2 ASP A 5 12.473 -2.639 -1.672 1.00 61.13 H new ATOM 0 HB3 ASP A 5 12.259 -1.708 -0.203 1.00 61.13 H new ATOM 70 N ASP A 6 10.171 -3.809 0.742 1.00 52.30 N ATOM 71 CA ASP A 6 9.025 -3.607 1.622 1.00 62.43 C ATOM 72 C ASP A 6 9.095 -4.541 2.826 1.00 15.23 C ATOM 73 O ASP A 6 8.630 -4.202 3.914 1.00 12.31 O ATOM 74 CB ASP A 6 7.721 -3.838 0.857 1.00 50.23 C ATOM 75 CG ASP A 6 6.540 -3.142 1.504 1.00 74.40 C ATOM 76 OD1 ASP A 6 6.738 -2.060 2.094 1.00 4.31 O ATOM 77 OD2 ASP A 6 5.416 -3.680 1.420 1.00 70.43 O ATOM 0 H ASP A 6 9.932 -4.146 -0.191 1.00 52.30 H new ATOM 0 HA ASP A 6 9.049 -2.578 1.980 1.00 62.43 H new ATOM 0 HB2 ASP A 6 7.835 -3.479 -0.166 1.00 50.23 H new ATOM 0 HB3 ASP A 6 7.522 -4.908 0.799 1.00 50.23 H new ATOM 82 N ALA A 7 9.677 -5.718 2.624 1.00 70.15 N ATOM 83 CA ALA A 7 9.808 -6.700 3.693 1.00 52.11 C ATOM 84 C ALA A 7 10.788 -6.223 4.759 1.00 10.12 C ATOM 85 O ALA A 7 10.477 -6.230 5.950 1.00 13.44 O ATOM 86 CB ALA A 7 10.252 -8.041 3.127 1.00 52.40 C ATOM 0 H ALA A 7 10.066 -6.015 1.729 1.00 70.15 H new ATOM 0 HA ALA A 7 8.832 -6.822 4.162 1.00 52.11 H new ATOM 0 HB1 ALA A 7 10.346 -8.765 3.937 1.00 52.40 H new ATOM 0 HB2 ALA A 7 9.513 -8.395 2.408 1.00 52.40 H new ATOM 0 HB3 ALA A 7 11.215 -7.925 2.631 1.00 52.40 H new ATOM 92 N PHE A 8 11.974 -5.810 4.324 1.00 13.20 N ATOM 93 CA PHE A 8 13.001 -5.331 5.242 1.00 14.10 C ATOM 94 C PHE A 8 12.561 -4.038 5.924 1.00 72.53 C ATOM 95 O PHE A 8 12.920 -3.776 7.072 1.00 71.43 O ATOM 96 CB PHE A 8 14.317 -5.105 4.495 1.00 12.53 C ATOM 97 CG PHE A 8 14.699 -6.244 3.595 1.00 74.24 C ATOM 98 CD1 PHE A 8 14.586 -7.555 4.029 1.00 61.33 C ATOM 99 CD2 PHE A 8 15.169 -6.005 2.314 1.00 44.42 C ATOM 100 CE1 PHE A 8 14.938 -8.606 3.202 1.00 14.41 C ATOM 101 CE2 PHE A 8 15.522 -7.051 1.482 1.00 21.14 C ATOM 102 CZ PHE A 8 15.405 -8.353 1.927 1.00 31.40 C ATOM 0 H PHE A 8 12.248 -5.797 3.341 1.00 13.20 H new ATOM 0 HA PHE A 8 13.152 -6.092 6.008 1.00 14.10 H new ATOM 0 HB2 PHE A 8 14.237 -4.195 3.901 1.00 12.53 H new ATOM 0 HB3 PHE A 8 15.114 -4.943 5.221 1.00 12.53 H new ATOM 0 HD1 PHE A 8 14.219 -7.758 5.024 1.00 61.33 H new ATOM 0 HD2 PHE A 8 15.261 -4.989 1.961 1.00 44.42 H new ATOM 0 HE1 PHE A 8 14.848 -9.623 3.553 1.00 14.41 H new ATOM 0 HE2 PHE A 8 15.889 -6.850 0.486 1.00 21.14 H new ATOM 0 HZ PHE A 8 15.678 -9.172 1.279 1.00 31.40 H new ATOM 112 N ARG A 9 11.782 -3.234 5.208 1.00 73.44 N ATOM 113 CA ARG A 9 11.294 -1.968 5.742 1.00 61.53 C ATOM 114 C ARG A 9 10.120 -2.195 6.690 1.00 2.31 C ATOM 115 O ARG A 9 9.962 -1.480 7.679 1.00 52.40 O ATOM 116 CB ARG A 9 10.871 -1.039 4.603 1.00 45.13 C ATOM 117 CG ARG A 9 12.042 -0.415 3.860 1.00 14.51 C ATOM 118 CD ARG A 9 11.602 0.787 3.038 1.00 24.00 C ATOM 119 NE ARG A 9 11.893 2.049 3.714 1.00 62.50 N ATOM 120 CZ ARG A 9 13.098 2.606 3.742 1.00 4.34 C ATOM 121 NH1 ARG A 9 14.120 2.017 3.136 1.00 54.33 N ATOM 122 NH2 ARG A 9 13.284 3.756 4.378 1.00 11.04 N ATOM 0 H ARG A 9 11.475 -3.437 4.257 1.00 73.44 H new ATOM 0 HA ARG A 9 12.105 -1.501 6.300 1.00 61.53 H new ATOM 0 HB2 ARG A 9 10.260 -1.600 3.896 1.00 45.13 H new ATOM 0 HB3 ARG A 9 10.243 -0.245 5.007 1.00 45.13 H new ATOM 0 HG2 ARG A 9 12.806 -0.109 4.574 1.00 14.51 H new ATOM 0 HG3 ARG A 9 12.497 -1.158 3.205 1.00 14.51 H new ATOM 0 HD2 ARG A 9 12.106 0.769 2.071 1.00 24.00 H new ATOM 0 HD3 ARG A 9 10.532 0.720 2.841 1.00 24.00 H new ATOM 0 HE ARG A 9 11.129 2.528 4.190 1.00 62.50 H new ATOM 0 HH11 ARG A 9 13.982 1.133 2.646 1.00 54.33 H new ATOM 0 HH12 ARG A 9 15.044 2.448 3.160 1.00 54.33 H new ATOM 0 HH21 ARG A 9 12.501 4.213 4.846 1.00 11.04 H new ATOM 0 HH22 ARG A 9 14.210 4.183 4.399 1.00 11.04 H new ATOM 136 N ALA A 10 9.300 -3.194 6.381 1.00 42.45 N ATOM 137 CA ALA A 10 8.142 -3.515 7.205 1.00 2.14 C ATOM 138 C ALA A 10 8.560 -4.243 8.478 1.00 31.42 C ATOM 139 O ALA A 10 7.869 -4.181 9.496 1.00 41.54 O ATOM 140 CB ALA A 10 7.149 -4.355 6.416 1.00 14.43 C ATOM 0 H ALA A 10 9.417 -3.795 5.565 1.00 42.45 H new ATOM 0 HA ALA A 10 7.661 -2.580 7.493 1.00 2.14 H new ATOM 0 HB1 ALA A 10 6.289 -4.587 7.044 1.00 14.43 H new ATOM 0 HB2 ALA A 10 6.818 -3.799 5.539 1.00 14.43 H new ATOM 0 HB3 ALA A 10 7.627 -5.282 6.099 1.00 14.43 H new ATOM 146 N ILE A 11 9.693 -4.934 8.414 1.00 21.31 N ATOM 147 CA ILE A 11 10.202 -5.674 9.562 1.00 21.31 C ATOM 148 C ILE A 11 10.248 -4.794 10.807 1.00 60.52 C ATOM 149 O ILE A 11 10.135 -5.285 11.930 1.00 70.15 O ATOM 150 CB ILE A 11 11.611 -6.235 9.291 1.00 12.31 C ATOM 151 CG1 ILE A 11 11.864 -7.475 10.150 1.00 33.41 C ATOM 152 CG2 ILE A 11 12.665 -5.172 9.563 1.00 51.14 C ATOM 153 CD1 ILE A 11 11.039 -8.675 9.737 1.00 4.42 C ATOM 0 H ILE A 11 10.276 -4.997 7.579 1.00 21.31 H new ATOM 0 HA ILE A 11 9.516 -6.504 9.732 1.00 21.31 H new ATOM 0 HB ILE A 11 11.676 -6.524 8.242 1.00 12.31 H new ATOM 0 HG12 ILE A 11 12.921 -7.735 10.096 1.00 33.41 H new ATOM 0 HG13 ILE A 11 11.647 -7.236 11.191 1.00 33.41 H new ATOM 0 HG21 ILE A 11 13.655 -5.583 9.367 1.00 51.14 H new ATOM 0 HG22 ILE A 11 12.493 -4.314 8.913 1.00 51.14 H new ATOM 0 HG23 ILE A 11 12.603 -4.856 10.604 1.00 51.14 H new ATOM 0 HD11 ILE A 11 11.270 -9.517 10.389 1.00 4.42 H new ATOM 0 HD12 ILE A 11 9.979 -8.433 9.818 1.00 4.42 H new ATOM 0 HD13 ILE A 11 11.273 -8.940 8.706 1.00 4.42 H new ATOM 165 N GLU A 12 10.413 -3.492 10.598 1.00 11.14 N ATOM 166 CA GLU A 12 10.473 -2.544 11.705 1.00 55.45 C ATOM 167 C GLU A 12 9.192 -2.592 12.532 1.00 34.25 C ATOM 168 O GLU A 12 9.225 -2.457 13.756 1.00 41.03 O ATOM 169 CB GLU A 12 10.699 -1.125 11.178 1.00 53.04 C ATOM 170 CG GLU A 12 11.852 -0.402 11.852 1.00 3.21 C ATOM 171 CD GLU A 12 12.261 0.859 11.115 1.00 23.33 C ATOM 172 OE1 GLU A 12 11.831 1.035 9.956 1.00 2.45 O ATOM 173 OE2 GLU A 12 13.012 1.669 11.698 1.00 31.15 O ATOM 0 H GLU A 12 10.507 -3.070 9.674 1.00 11.14 H new ATOM 0 HA GLU A 12 11.309 -2.824 12.345 1.00 55.45 H new ATOM 0 HB2 GLU A 12 10.887 -1.171 10.105 1.00 53.04 H new ATOM 0 HB3 GLU A 12 9.787 -0.545 11.317 1.00 53.04 H new ATOM 0 HG2 GLU A 12 11.568 -0.146 12.873 1.00 3.21 H new ATOM 0 HG3 GLU A 12 12.708 -1.074 11.918 1.00 3.21 H new ATOM 180 N ARG A 13 8.064 -2.786 11.856 1.00 10.42 N ATOM 181 CA ARG A 13 6.772 -2.850 12.528 1.00 33.31 C ATOM 182 C ARG A 13 6.700 -4.062 13.452 1.00 34.25 C ATOM 183 O ARG A 13 5.995 -4.045 14.461 1.00 1.33 O ATOM 184 CB ARG A 13 5.641 -2.912 11.500 1.00 52.13 C ATOM 185 CG ARG A 13 4.540 -1.893 11.744 1.00 53.14 C ATOM 186 CD ARG A 13 4.852 -0.564 11.074 1.00 43.11 C ATOM 187 NE ARG A 13 5.381 0.415 12.020 1.00 34.02 N ATOM 188 CZ ARG A 13 5.527 1.705 11.739 1.00 73.14 C ATOM 189 NH1 ARG A 13 5.185 2.169 10.544 1.00 25.23 N ATOM 190 NH2 ARG A 13 6.015 2.534 12.653 1.00 74.33 N ATOM 0 H ARG A 13 8.019 -2.902 10.844 1.00 10.42 H new ATOM 0 HA ARG A 13 6.658 -1.948 13.129 1.00 33.31 H new ATOM 0 HB2 ARG A 13 6.057 -2.754 10.505 1.00 52.13 H new ATOM 0 HB3 ARG A 13 5.207 -3.912 11.509 1.00 52.13 H new ATOM 0 HG2 ARG A 13 3.594 -2.280 11.364 1.00 53.14 H new ATOM 0 HG3 ARG A 13 4.415 -1.741 12.816 1.00 53.14 H new ATOM 0 HD2 ARG A 13 5.575 -0.722 10.274 1.00 43.11 H new ATOM 0 HD3 ARG A 13 3.947 -0.170 10.612 1.00 43.11 H new ATOM 0 HE ARG A 13 5.653 0.090 12.948 1.00 34.02 H new ATOM 0 HH11 ARG A 13 4.809 1.535 9.839 1.00 25.23 H new ATOM 0 HH12 ARG A 13 5.298 3.160 10.330 1.00 25.23 H new ATOM 0 HH21 ARG A 13 6.279 2.181 13.573 1.00 74.33 H new ATOM 0 HH22 ARG A 13 6.127 3.524 12.436 1.00 74.33 H new ATOM 204 N ALA A 14 7.433 -5.113 13.100 1.00 32.11 N ATOM 205 CA ALA A 14 7.453 -6.333 13.898 1.00 2.44 C ATOM 206 C ALA A 14 8.163 -6.106 15.229 1.00 64.13 C ATOM 207 O ALA A 14 7.634 -6.439 16.290 1.00 43.53 O ATOM 208 CB ALA A 14 8.124 -7.458 13.125 1.00 35.50 C ATOM 0 H ALA A 14 8.021 -5.144 12.267 1.00 32.11 H new ATOM 0 HA ALA A 14 6.422 -6.617 14.109 1.00 2.44 H new ATOM 0 HB1 ALA A 14 8.132 -8.363 13.733 1.00 35.50 H new ATOM 0 HB2 ALA A 14 7.573 -7.645 12.203 1.00 35.50 H new ATOM 0 HB3 ALA A 14 9.148 -7.174 12.884 1.00 35.50 H new ATOM 214 N ILE A 15 9.364 -5.540 15.164 1.00 14.34 N ATOM 215 CA ILE A 15 10.145 -5.269 16.365 1.00 42.05 C ATOM 216 C ILE A 15 9.521 -4.146 17.186 1.00 73.13 C ATOM 217 O ILE A 15 9.587 -4.153 18.415 1.00 51.45 O ATOM 218 CB ILE A 15 11.597 -4.889 16.017 1.00 31.42 C ATOM 219 CG1 ILE A 15 12.420 -4.712 17.295 1.00 63.15 C ATOM 220 CG2 ILE A 15 11.626 -3.619 15.181 1.00 45.12 C ATOM 221 CD1 ILE A 15 13.591 -5.665 17.396 1.00 50.31 C ATOM 0 H ILE A 15 9.817 -5.261 14.294 1.00 14.34 H new ATOM 0 HA ILE A 15 10.148 -6.187 16.953 1.00 42.05 H new ATOM 0 HB ILE A 15 12.039 -5.695 15.431 1.00 31.42 H new ATOM 0 HG12 ILE A 15 12.790 -3.688 17.340 1.00 63.15 H new ATOM 0 HG13 ILE A 15 11.770 -4.854 18.159 1.00 63.15 H new ATOM 0 HG21 ILE A 15 12.659 -3.363 14.943 1.00 45.12 H new ATOM 0 HG22 ILE A 15 11.070 -3.779 14.257 1.00 45.12 H new ATOM 0 HG23 ILE A 15 11.170 -2.803 15.742 1.00 45.12 H new ATOM 0 HD11 ILE A 15 14.129 -5.483 18.326 1.00 50.31 H new ATOM 0 HD12 ILE A 15 13.226 -6.692 17.383 1.00 50.31 H new ATOM 0 HD13 ILE A 15 14.262 -5.507 16.552 1.00 50.31 H new ATOM 233 N GLN A 16 8.913 -3.185 16.498 1.00 42.32 N ATOM 234 CA GLN A 16 8.275 -2.055 17.164 1.00 24.52 C ATOM 235 C GLN A 16 7.156 -2.529 18.085 1.00 13.43 C ATOM 236 O GLN A 16 6.789 -1.840 19.037 1.00 1.01 O ATOM 237 CB GLN A 16 7.721 -1.073 16.131 1.00 61.10 C ATOM 238 CG GLN A 16 8.583 0.166 15.946 1.00 74.41 C ATOM 239 CD GLN A 16 8.070 1.356 16.732 1.00 55.12 C ATOM 240 OE1 GLN A 16 7.495 1.202 17.810 1.00 74.13 O ATOM 241 NE2 GLN A 16 8.275 2.553 16.195 1.00 2.21 N ATOM 0 H GLN A 16 8.849 -3.166 15.480 1.00 42.32 H new ATOM 0 HA GLN A 16 9.028 -1.548 17.768 1.00 24.52 H new ATOM 0 HB2 GLN A 16 7.623 -1.583 15.173 1.00 61.10 H new ATOM 0 HB3 GLN A 16 6.720 -0.767 16.433 1.00 61.10 H new ATOM 0 HG2 GLN A 16 9.604 -0.057 16.256 1.00 74.41 H new ATOM 0 HG3 GLN A 16 8.620 0.423 14.887 1.00 74.41 H new ATOM 0 HE21 GLN A 16 8.756 2.635 15.299 1.00 2.21 H new ATOM 0 HE22 GLN A 16 7.951 3.391 16.678 1.00 2.21 H new ATOM 250 N ALA A 17 6.616 -3.708 17.795 1.00 1.12 N ATOM 251 CA ALA A 17 5.539 -4.274 18.598 1.00 3.34 C ATOM 252 C ALA A 17 5.926 -4.330 20.072 1.00 35.55 C ATOM 253 O ALA A 17 5.177 -3.877 20.937 1.00 12.40 O ATOM 254 CB ALA A 17 5.176 -5.662 18.092 1.00 45.20 C ATOM 0 H ALA A 17 6.907 -4.290 17.010 1.00 1.12 H new ATOM 0 HA ALA A 17 4.668 -3.626 18.502 1.00 3.34 H new ATOM 0 HB1 ALA A 17 4.371 -6.072 18.701 1.00 45.20 H new ATOM 0 HB2 ALA A 17 4.849 -5.597 17.054 1.00 45.20 H new ATOM 0 HB3 ALA A 17 6.048 -6.313 18.158 1.00 45.20 H new ATOM 260 N GLU A 18 7.098 -4.891 20.351 1.00 22.31 N ATOM 261 CA GLU A 18 7.582 -5.008 21.722 1.00 73.22 C ATOM 262 C GLU A 18 6.595 -5.793 22.582 1.00 40.31 C ATOM 263 O GLU A 18 6.401 -5.488 23.758 1.00 45.42 O ATOM 264 CB GLU A 18 7.811 -3.621 22.325 1.00 14.05 C ATOM 265 CG GLU A 18 9.064 -2.933 21.812 1.00 40.25 C ATOM 266 CD GLU A 18 10.333 -3.514 22.404 1.00 62.13 C ATOM 267 OE1 GLU A 18 10.234 -4.480 23.189 1.00 41.02 O ATOM 268 OE2 GLU A 18 11.426 -3.003 22.081 1.00 10.41 O ATOM 0 H GLU A 18 7.730 -5.272 19.647 1.00 22.31 H new ATOM 0 HA GLU A 18 8.529 -5.548 21.702 1.00 73.22 H new ATOM 0 HB2 GLU A 18 6.947 -2.993 22.108 1.00 14.05 H new ATOM 0 HB3 GLU A 18 7.875 -3.712 23.409 1.00 14.05 H new ATOM 0 HG2 GLU A 18 9.102 -3.018 20.726 1.00 40.25 H new ATOM 0 HG3 GLU A 18 9.012 -1.870 22.046 1.00 40.25 H new ATOM 275 N ASN A 19 5.973 -6.805 21.985 1.00 4.42 N ATOM 276 CA ASN A 19 5.006 -7.633 22.695 1.00 15.34 C ATOM 277 C ASN A 19 5.248 -9.113 22.417 1.00 23.12 C ATOM 278 O ASN A 19 5.956 -9.469 21.476 1.00 62.30 O ATOM 279 CB ASN A 19 3.581 -7.253 22.287 1.00 11.52 C ATOM 280 CG ASN A 19 2.533 -7.924 23.153 1.00 34.20 C ATOM 281 OD1 ASN A 19 1.876 -8.875 22.728 1.00 43.14 O ATOM 282 ND2 ASN A 19 2.371 -7.431 24.375 1.00 15.13 N ATOM 0 H ASN A 19 6.122 -7.071 21.012 1.00 4.42 H new ATOM 0 HA ASN A 19 5.131 -7.457 23.763 1.00 15.34 H new ATOM 0 HB2 ASN A 19 3.464 -6.171 22.352 1.00 11.52 H new ATOM 0 HB3 ASN A 19 3.418 -7.529 21.245 1.00 11.52 H new ATOM 0 HD21 ASN A 19 1.680 -7.842 25.003 1.00 15.13 H new ATOM 0 HD22 ASN A 19 2.937 -6.642 24.686 1.00 15.13 H new ATOM 289 N GLU A 20 4.655 -9.970 23.243 1.00 42.23 N ATOM 290 CA GLU A 20 4.808 -11.411 23.085 1.00 34.41 C ATOM 291 C GLU A 20 3.478 -12.062 22.714 1.00 41.34 C ATOM 292 O GLU A 20 3.077 -13.062 23.306 1.00 33.25 O ATOM 293 CB GLU A 20 5.350 -12.033 24.374 1.00 75.31 C ATOM 294 CG GLU A 20 6.499 -11.253 24.990 1.00 73.12 C ATOM 295 CD GLU A 20 6.980 -11.856 26.295 1.00 31.22 C ATOM 296 OE1 GLU A 20 6.957 -13.099 26.418 1.00 40.12 O ATOM 297 OE2 GLU A 20 7.379 -11.086 27.194 1.00 73.33 O ATOM 0 H GLU A 20 4.065 -9.691 24.027 1.00 42.23 H new ATOM 0 HA GLU A 20 5.518 -11.589 22.277 1.00 34.41 H new ATOM 0 HB2 GLU A 20 4.541 -12.106 25.101 1.00 75.31 H new ATOM 0 HB3 GLU A 20 5.683 -13.050 24.165 1.00 75.31 H new ATOM 0 HG2 GLU A 20 7.328 -11.216 24.284 1.00 73.12 H new ATOM 0 HG3 GLU A 20 6.183 -10.224 25.164 1.00 73.12 H new ATOM 304 N GLY A 21 2.799 -11.484 21.727 1.00 34.31 N ATOM 305 CA GLY A 21 1.521 -12.020 21.293 1.00 5.14 C ATOM 306 C GLY A 21 1.330 -11.920 19.793 1.00 2.30 C ATOM 307 O GLY A 21 1.282 -12.934 19.098 1.00 74.44 O ATOM 0 H GLY A 21 3.111 -10.655 21.221 1.00 34.31 H new ATOM 0 HA2 GLY A 21 1.446 -13.064 21.597 1.00 5.14 H new ATOM 0 HA3 GLY A 21 0.716 -11.483 21.795 1.00 5.14 H new ATOM 311 N ARG A 22 1.220 -10.693 19.293 1.00 73.42 N ATOM 312 CA ARG A 22 1.029 -10.465 17.866 1.00 44.25 C ATOM 313 C ARG A 22 2.361 -10.528 17.123 1.00 52.04 C ATOM 314 O ARG A 22 2.397 -10.723 15.908 1.00 74.55 O ATOM 315 CB ARG A 22 0.365 -9.107 17.629 1.00 61.31 C ATOM 316 CG ARG A 22 1.116 -7.944 18.256 1.00 21.10 C ATOM 317 CD ARG A 22 0.735 -6.622 17.609 1.00 3.41 C ATOM 318 NE ARG A 22 1.380 -5.486 18.264 1.00 71.41 N ATOM 319 CZ ARG A 22 1.199 -4.224 17.893 1.00 54.13 C ATOM 320 NH1 ARG A 22 0.396 -3.937 16.877 1.00 1.32 N ATOM 321 NH2 ARG A 22 1.820 -3.245 18.538 1.00 24.53 N ATOM 0 H ARG A 22 1.260 -9.843 19.855 1.00 73.42 H new ATOM 0 HA ARG A 22 0.380 -11.251 17.481 1.00 44.25 H new ATOM 0 HB2 ARG A 22 0.279 -8.937 16.556 1.00 61.31 H new ATOM 0 HB3 ARG A 22 -0.648 -9.133 18.030 1.00 61.31 H new ATOM 0 HG2 ARG A 22 0.900 -7.903 19.324 1.00 21.10 H new ATOM 0 HG3 ARG A 22 2.189 -8.105 18.153 1.00 21.10 H new ATOM 0 HD2 ARG A 22 1.015 -6.640 16.556 1.00 3.41 H new ATOM 0 HD3 ARG A 22 -0.347 -6.497 17.649 1.00 3.41 H new ATOM 0 HE ARG A 22 2.004 -5.673 19.049 1.00 71.41 H new ATOM 0 HH11 ARG A 22 -0.084 -4.687 16.379 1.00 1.32 H new ATOM 0 HH12 ARG A 22 0.259 -2.967 16.594 1.00 1.32 H new ATOM 0 HH21 ARG A 22 2.438 -3.461 19.320 1.00 24.53 H new ATOM 0 HH22 ARG A 22 1.680 -2.276 18.252 1.00 24.53 H new ATOM 335 N TYR A 23 3.452 -10.361 17.861 1.00 45.34 N ATOM 336 CA TYR A 23 4.786 -10.396 17.272 1.00 51.32 C ATOM 337 C TYR A 23 4.957 -11.625 16.384 1.00 3.50 C ATOM 338 O TYR A 23 5.725 -11.607 15.422 1.00 52.44 O ATOM 339 CB TYR A 23 5.851 -10.393 18.369 1.00 2.04 C ATOM 340 CG TYR A 23 6.045 -11.740 19.028 1.00 22.02 C ATOM 341 CD1 TYR A 23 4.986 -12.391 19.649 1.00 62.14 C ATOM 342 CD2 TYR A 23 7.288 -12.362 19.029 1.00 33.14 C ATOM 343 CE1 TYR A 23 5.159 -13.621 20.252 1.00 22.44 C ATOM 344 CE2 TYR A 23 7.470 -13.593 19.629 1.00 33.15 C ATOM 345 CZ TYR A 23 6.403 -14.218 20.240 1.00 34.40 C ATOM 346 OH TYR A 23 6.579 -15.445 20.839 1.00 13.42 O ATOM 0 H TYR A 23 3.440 -10.200 18.868 1.00 45.34 H new ATOM 0 HA TYR A 23 4.907 -9.505 16.656 1.00 51.32 H new ATOM 0 HB2 TYR A 23 6.799 -10.067 17.942 1.00 2.04 H new ATOM 0 HB3 TYR A 23 5.575 -9.662 19.129 1.00 2.04 H new ATOM 0 HD1 TYR A 23 4.011 -11.927 19.660 1.00 62.14 H new ATOM 0 HD2 TYR A 23 8.126 -11.875 18.553 1.00 33.14 H new ATOM 0 HE1 TYR A 23 4.325 -14.113 20.730 1.00 22.44 H new ATOM 0 HE2 TYR A 23 8.442 -14.063 19.620 1.00 33.15 H new ATOM 0 HH TYR A 23 7.513 -15.726 20.741 1.00 13.42 H new ATOM 356 N ARG A 24 4.236 -12.691 16.715 1.00 41.41 N ATOM 357 CA ARG A 24 4.308 -13.929 15.949 1.00 33.22 C ATOM 358 C ARG A 24 3.599 -13.780 14.606 1.00 12.13 C ATOM 359 O ARG A 24 4.104 -14.222 13.575 1.00 32.10 O ATOM 360 CB ARG A 24 3.685 -15.080 16.741 1.00 22.34 C ATOM 361 CG ARG A 24 2.252 -14.817 17.174 1.00 61.11 C ATOM 362 CD ARG A 24 1.258 -15.545 16.282 1.00 44.31 C ATOM 363 NE ARG A 24 -0.120 -15.154 16.565 1.00 1.41 N ATOM 364 CZ ARG A 24 -0.771 -15.504 17.669 1.00 52.24 C ATOM 365 NH1 ARG A 24 -0.172 -16.248 18.588 1.00 73.42 N ATOM 366 NH2 ARG A 24 -2.024 -15.109 17.855 1.00 52.34 N ATOM 0 H ARG A 24 3.596 -12.722 17.508 1.00 41.41 H new ATOM 0 HA ARG A 24 5.359 -14.151 15.763 1.00 33.22 H new ATOM 0 HB2 ARG A 24 3.712 -15.984 16.133 1.00 22.34 H new ATOM 0 HB3 ARG A 24 4.293 -15.272 17.625 1.00 22.34 H new ATOM 0 HG2 ARG A 24 2.118 -15.138 18.207 1.00 61.11 H new ATOM 0 HG3 ARG A 24 2.053 -13.746 17.144 1.00 61.11 H new ATOM 0 HD2 ARG A 24 1.487 -15.335 15.237 1.00 44.31 H new ATOM 0 HD3 ARG A 24 1.366 -16.621 16.422 1.00 44.31 H new ATOM 0 HE ARG A 24 -0.610 -14.581 15.878 1.00 1.41 H new ATOM 0 HH11 ARG A 24 0.791 -16.553 18.449 1.00 73.42 H new ATOM 0 HH12 ARG A 24 -0.674 -16.515 19.435 1.00 73.42 H new ATOM 0 HH21 ARG A 24 -2.488 -14.536 17.150 1.00 52.34 H new ATOM 0 HH22 ARG A 24 -2.523 -15.378 18.703 1.00 52.34 H new ATOM 380 N GLU A 25 2.426 -13.154 14.628 1.00 31.43 N ATOM 381 CA GLU A 25 1.648 -12.949 13.412 1.00 13.34 C ATOM 382 C GLU A 25 2.235 -11.816 12.575 1.00 25.24 C ATOM 383 O GLU A 25 2.025 -11.752 11.365 1.00 44.54 O ATOM 384 CB GLU A 25 0.190 -12.638 13.760 1.00 43.44 C ATOM 385 CG GLU A 25 0.003 -11.303 14.462 1.00 64.20 C ATOM 386 CD GLU A 25 -1.417 -10.783 14.358 1.00 33.44 C ATOM 387 OE1 GLU A 25 -1.751 -10.170 13.323 1.00 11.35 O ATOM 388 OE2 GLU A 25 -2.195 -10.991 15.313 1.00 13.11 O ATOM 0 H GLU A 25 1.994 -12.781 15.473 1.00 31.43 H new ATOM 0 HA GLU A 25 1.687 -13.868 12.827 1.00 13.34 H new ATOM 0 HB2 GLU A 25 -0.402 -12.644 12.845 1.00 43.44 H new ATOM 0 HB3 GLU A 25 -0.200 -13.432 14.397 1.00 43.44 H new ATOM 0 HG2 GLU A 25 0.271 -11.409 15.513 1.00 64.20 H new ATOM 0 HG3 GLU A 25 0.686 -10.571 14.031 1.00 64.20 H new ATOM 395 N ALA A 26 2.972 -10.925 13.231 1.00 64.15 N ATOM 396 CA ALA A 26 3.592 -9.796 12.548 1.00 72.12 C ATOM 397 C ALA A 26 4.690 -10.264 11.599 1.00 51.24 C ATOM 398 O ALA A 26 4.911 -9.665 10.545 1.00 1.43 O ATOM 399 CB ALA A 26 4.153 -8.809 13.561 1.00 35.43 C ATOM 0 H ALA A 26 3.154 -10.963 14.234 1.00 64.15 H new ATOM 0 HA ALA A 26 2.825 -9.296 11.956 1.00 72.12 H new ATOM 0 HB1 ALA A 26 4.613 -7.971 13.037 1.00 35.43 H new ATOM 0 HB2 ALA A 26 3.347 -8.441 14.196 1.00 35.43 H new ATOM 0 HB3 ALA A 26 4.902 -9.306 14.177 1.00 35.43 H new ATOM 405 N LEU A 27 5.376 -11.336 11.978 1.00 73.42 N ATOM 406 CA LEU A 27 6.452 -11.885 11.160 1.00 4.41 C ATOM 407 C LEU A 27 5.896 -12.574 9.918 1.00 21.25 C ATOM 408 O LEU A 27 6.556 -12.637 8.881 1.00 2.41 O ATOM 409 CB LEU A 27 7.286 -12.874 11.976 1.00 3.43 C ATOM 410 CG LEU A 27 8.499 -12.290 12.702 1.00 21.11 C ATOM 411 CD1 LEU A 27 9.181 -13.357 13.545 1.00 12.30 C ATOM 412 CD2 LEU A 27 9.479 -11.689 11.705 1.00 51.10 C ATOM 0 H LEU A 27 5.207 -11.843 12.847 1.00 73.42 H new ATOM 0 HA LEU A 27 7.088 -11.060 10.840 1.00 4.41 H new ATOM 0 HB2 LEU A 27 6.636 -13.343 12.715 1.00 3.43 H new ATOM 0 HB3 LEU A 27 7.632 -13.664 11.309 1.00 3.43 H new ATOM 0 HG LEU A 27 8.154 -11.497 13.365 1.00 21.11 H new ATOM 0 HD11 LEU A 27 10.042 -12.923 14.054 1.00 12.30 H new ATOM 0 HD12 LEU A 27 8.478 -13.741 14.284 1.00 12.30 H new ATOM 0 HD13 LEU A 27 9.513 -14.172 12.902 1.00 12.30 H new ATOM 0 HD21 LEU A 27 10.336 -11.278 12.239 1.00 51.10 H new ATOM 0 HD22 LEU A 27 9.818 -12.463 11.016 1.00 51.10 H new ATOM 0 HD23 LEU A 27 8.986 -10.895 11.144 1.00 51.10 H new ATOM 424 N LYS A 28 4.677 -13.090 10.031 1.00 55.53 N ATOM 425 CA LYS A 28 4.028 -13.772 8.917 1.00 3.20 C ATOM 426 C LYS A 28 4.070 -12.915 7.655 1.00 23.45 C ATOM 427 O LYS A 28 4.122 -13.436 6.541 1.00 63.41 O ATOM 428 CB LYS A 28 2.577 -14.106 9.272 1.00 45.25 C ATOM 429 CG LYS A 28 2.165 -15.515 8.883 1.00 25.24 C ATOM 430 CD LYS A 28 1.526 -15.550 7.505 1.00 4.22 C ATOM 431 CE LYS A 28 1.992 -16.757 6.705 1.00 15.03 C ATOM 432 NZ LYS A 28 1.225 -17.984 7.057 1.00 72.21 N ATOM 0 H LYS A 28 4.118 -13.049 10.883 1.00 55.53 H new ATOM 0 HA LYS A 28 4.571 -14.698 8.724 1.00 3.20 H new ATOM 0 HB2 LYS A 28 2.436 -13.978 10.345 1.00 45.25 H new ATOM 0 HB3 LYS A 28 1.917 -13.394 8.777 1.00 45.25 H new ATOM 0 HG2 LYS A 28 3.038 -16.167 8.896 1.00 25.24 H new ATOM 0 HG3 LYS A 28 1.464 -15.906 9.620 1.00 25.24 H new ATOM 0 HD2 LYS A 28 0.441 -15.576 7.606 1.00 4.22 H new ATOM 0 HD3 LYS A 28 1.774 -14.636 6.965 1.00 4.22 H new ATOM 0 HE2 LYS A 28 1.881 -16.552 5.640 1.00 15.03 H new ATOM 0 HE3 LYS A 28 3.053 -16.927 6.888 1.00 15.03 H new ATOM 0 HZ1 LYS A 28 1.572 -18.785 6.491 1.00 72.21 H new ATOM 0 HZ2 LYS A 28 1.351 -18.194 8.068 1.00 72.21 H new ATOM 0 HZ3 LYS A 28 0.216 -17.831 6.859 1.00 72.21 H new ATOM 446 N HIS A 29 4.049 -11.599 7.838 1.00 13.13 N ATOM 447 CA HIS A 29 4.087 -10.670 6.714 1.00 35.32 C ATOM 448 C HIS A 29 5.436 -10.731 6.004 1.00 35.41 C ATOM 449 O HIS A 29 5.504 -10.696 4.775 1.00 10.43 O ATOM 450 CB HIS A 29 3.814 -9.244 7.194 1.00 73.40 C ATOM 451 CG HIS A 29 3.152 -8.382 6.164 1.00 73.12 C ATOM 452 ND1 HIS A 29 3.731 -8.082 4.949 1.00 53.21 N ATOM 453 CD2 HIS A 29 1.952 -7.756 6.172 1.00 74.11 C ATOM 454 CE1 HIS A 29 2.916 -7.307 4.255 1.00 3.11 C ATOM 455 NE2 HIS A 29 1.829 -7.095 4.975 1.00 42.33 N ATOM 0 H HIS A 29 4.006 -11.152 8.754 1.00 13.13 H new ATOM 0 HA HIS A 29 3.311 -10.962 6.007 1.00 35.32 H new ATOM 0 HB2 HIS A 29 3.184 -9.283 8.083 1.00 73.40 H new ATOM 0 HB3 HIS A 29 4.756 -8.783 7.491 1.00 73.40 H new ATOM 0 HD2 HIS A 29 1.226 -7.773 6.971 1.00 74.11 H new ATOM 0 HE1 HIS A 29 3.106 -6.914 3.267 1.00 3.11 H new ATOM 0 HE2 HIS A 29 1.028 -6.532 4.688 1.00 42.33 H new ATOM 463 N PHE A 30 6.506 -10.823 6.786 1.00 45.14 N ATOM 464 CA PHE A 30 7.854 -10.887 6.232 1.00 71.14 C ATOM 465 C PHE A 30 8.065 -12.189 5.465 1.00 62.32 C ATOM 466 O PHE A 30 8.653 -12.197 4.382 1.00 32.52 O ATOM 467 CB PHE A 30 8.893 -10.765 7.348 1.00 44.13 C ATOM 468 CG PHE A 30 10.278 -10.470 6.847 1.00 5.01 C ATOM 469 CD1 PHE A 30 10.676 -9.166 6.597 1.00 22.52 C ATOM 470 CD2 PHE A 30 11.183 -11.496 6.626 1.00 74.41 C ATOM 471 CE1 PHE A 30 11.950 -8.892 6.137 1.00 41.52 C ATOM 472 CE2 PHE A 30 12.458 -11.227 6.166 1.00 31.52 C ATOM 473 CZ PHE A 30 12.842 -9.924 5.920 1.00 12.31 C ATOM 0 H PHE A 30 6.466 -10.855 7.805 1.00 45.14 H new ATOM 0 HA PHE A 30 7.976 -10.054 5.540 1.00 71.14 H new ATOM 0 HB2 PHE A 30 8.587 -9.975 8.034 1.00 44.13 H new ATOM 0 HB3 PHE A 30 8.912 -11.693 7.919 1.00 44.13 H new ATOM 0 HD1 PHE A 30 9.983 -8.355 6.764 1.00 22.52 H new ATOM 0 HD2 PHE A 30 10.888 -12.518 6.815 1.00 74.41 H new ATOM 0 HE1 PHE A 30 12.248 -7.871 5.947 1.00 41.52 H new ATOM 0 HE2 PHE A 30 13.154 -12.036 5.999 1.00 31.52 H new ATOM 0 HZ PHE A 30 13.837 -9.712 5.559 1.00 12.31 H new ATOM 483 N LEU A 31 7.583 -13.289 6.034 1.00 53.45 N ATOM 484 CA LEU A 31 7.718 -14.598 5.405 1.00 43.01 C ATOM 485 C LEU A 31 7.056 -14.614 4.031 1.00 40.41 C ATOM 486 O LEU A 31 7.482 -15.341 3.134 1.00 72.32 O ATOM 487 CB LEU A 31 7.101 -15.679 6.294 1.00 55.23 C ATOM 488 CG LEU A 31 8.003 -16.241 7.392 1.00 21.15 C ATOM 489 CD1 LEU A 31 7.175 -16.682 8.590 1.00 64.04 C ATOM 490 CD2 LEU A 31 8.833 -17.400 6.860 1.00 42.13 C ATOM 0 H LEU A 31 7.095 -13.300 6.930 1.00 53.45 H new ATOM 0 HA LEU A 31 8.781 -14.804 5.277 1.00 43.01 H new ATOM 0 HB2 LEU A 31 6.206 -15.269 6.762 1.00 55.23 H new ATOM 0 HB3 LEU A 31 6.779 -16.504 5.658 1.00 55.23 H new ATOM 0 HG LEU A 31 8.682 -15.452 7.716 1.00 21.15 H new ATOM 0 HD11 LEU A 31 7.834 -17.079 9.362 1.00 64.04 H new ATOM 0 HD12 LEU A 31 6.626 -15.828 8.987 1.00 64.04 H new ATOM 0 HD13 LEU A 31 6.471 -17.455 8.281 1.00 64.04 H new ATOM 0 HD21 LEU A 31 9.469 -17.787 7.656 1.00 42.13 H new ATOM 0 HD22 LEU A 31 8.170 -18.191 6.508 1.00 42.13 H new ATOM 0 HD23 LEU A 31 9.455 -17.053 6.035 1.00 42.13 H new ATOM 502 N ASP A 32 6.014 -13.805 3.873 1.00 0.11 N ATOM 503 CA ASP A 32 5.295 -13.723 2.607 1.00 34.02 C ATOM 504 C ASP A 32 6.156 -13.065 1.534 1.00 2.31 C ATOM 505 O ASP A 32 6.052 -13.392 0.353 1.00 51.12 O ATOM 506 CB ASP A 32 3.993 -12.940 2.786 1.00 42.55 C ATOM 507 CG ASP A 32 2.976 -13.253 1.706 1.00 42.23 C ATOM 508 OD1 ASP A 32 2.714 -14.450 1.467 1.00 23.25 O ATOM 509 OD2 ASP A 32 2.443 -12.301 1.098 1.00 12.32 O ATOM 0 H ASP A 32 5.649 -13.197 4.606 1.00 0.11 H new ATOM 0 HA ASP A 32 5.059 -14.737 2.285 1.00 34.02 H new ATOM 0 HB2 ASP A 32 3.565 -13.170 3.762 1.00 42.55 H new ATOM 0 HB3 ASP A 32 4.211 -11.872 2.778 1.00 42.55 H new ATOM 514 N GLY A 33 7.007 -12.134 1.954 1.00 3.53 N ATOM 515 CA GLY A 33 7.874 -11.443 1.017 1.00 74.02 C ATOM 516 C GLY A 33 9.006 -12.319 0.521 1.00 64.44 C ATOM 517 O GLY A 33 9.392 -12.247 -0.645 1.00 51.34 O ATOM 0 H GLY A 33 7.112 -11.846 2.927 1.00 3.53 H new ATOM 0 HA2 GLY A 33 7.285 -11.100 0.167 1.00 74.02 H new ATOM 0 HA3 GLY A 33 8.288 -10.556 1.496 1.00 74.02 H new ATOM 521 N GLY A 34 9.543 -13.150 1.409 1.00 21.23 N ATOM 522 CA GLY A 34 10.635 -14.031 1.037 1.00 54.03 C ATOM 523 C GLY A 34 10.277 -14.940 -0.123 1.00 14.54 C ATOM 524 O GLY A 34 11.144 -15.333 -0.902 1.00 2.35 O ATOM 0 H GLY A 34 9.241 -13.229 2.380 1.00 21.23 H new ATOM 0 HA2 GLY A 34 11.506 -13.432 0.770 1.00 54.03 H new ATOM 0 HA3 GLY A 34 10.917 -14.638 1.897 1.00 54.03 H new ATOM 528 N GLU A 35 8.995 -15.275 -0.236 1.00 42.21 N ATOM 529 CA GLU A 35 8.526 -16.145 -1.308 1.00 30.23 C ATOM 530 C GLU A 35 8.572 -15.426 -2.653 1.00 1.43 C ATOM 531 O GLU A 35 8.528 -16.057 -3.708 1.00 21.10 O ATOM 532 CB GLU A 35 7.101 -16.622 -1.021 1.00 14.24 C ATOM 533 CG GLU A 35 6.951 -17.320 0.321 1.00 71.04 C ATOM 534 CD GLU A 35 6.383 -18.720 0.189 1.00 14.34 C ATOM 535 OE1 GLU A 35 6.993 -19.543 -0.525 1.00 10.40 O ATOM 536 OE2 GLU A 35 5.328 -18.992 0.800 1.00 23.33 O ATOM 0 H GLU A 35 8.264 -14.958 0.401 1.00 42.21 H new ATOM 0 HA GLU A 35 9.189 -17.009 -1.355 1.00 30.23 H new ATOM 0 HB2 GLU A 35 6.427 -15.766 -1.053 1.00 14.24 H new ATOM 0 HB3 GLU A 35 6.789 -17.303 -1.812 1.00 14.24 H new ATOM 0 HG2 GLU A 35 7.923 -17.371 0.811 1.00 71.04 H new ATOM 0 HG3 GLU A 35 6.301 -16.727 0.964 1.00 71.04 H new ATOM 543 N MET A 36 8.661 -14.100 -2.605 1.00 75.43 N ATOM 544 CA MET A 36 8.713 -13.295 -3.820 1.00 3.44 C ATOM 545 C MET A 36 10.026 -13.517 -4.563 1.00 63.33 C ATOM 546 O MET A 36 10.040 -13.671 -5.785 1.00 11.20 O ATOM 547 CB MET A 36 8.551 -11.812 -3.481 1.00 12.44 C ATOM 548 CG MET A 36 7.233 -11.485 -2.796 1.00 62.52 C ATOM 549 SD MET A 36 5.816 -11.663 -3.897 1.00 2.30 S ATOM 550 CE MET A 36 5.080 -10.035 -3.766 1.00 44.14 C ATOM 0 H MET A 36 8.699 -13.562 -1.739 1.00 75.43 H new ATOM 0 HA MET A 36 7.892 -13.605 -4.467 1.00 3.44 H new ATOM 0 HB2 MET A 36 9.373 -11.504 -2.835 1.00 12.44 H new ATOM 0 HB3 MET A 36 8.629 -11.228 -4.398 1.00 12.44 H new ATOM 0 HG2 MET A 36 7.103 -12.140 -1.934 1.00 62.52 H new ATOM 0 HG3 MET A 36 7.268 -10.463 -2.417 1.00 62.52 H new ATOM 0 HE1 MET A 36 4.189 -9.987 -4.393 1.00 44.14 H new ATOM 0 HE2 MET A 36 4.805 -9.842 -2.729 1.00 44.14 H new ATOM 0 HE3 MET A 36 5.797 -9.284 -4.097 1.00 44.14 H new ATOM 560 N ILE A 37 11.127 -13.533 -3.819 1.00 61.23 N ATOM 561 CA ILE A 37 12.444 -13.738 -4.409 1.00 42.11 C ATOM 562 C ILE A 37 12.701 -15.216 -4.681 1.00 70.23 C ATOM 563 O ILE A 37 13.480 -15.569 -5.566 1.00 63.54 O ATOM 564 CB ILE A 37 13.560 -13.194 -3.497 1.00 60.04 C ATOM 565 CG1 ILE A 37 14.823 -12.910 -4.314 1.00 34.33 C ATOM 566 CG2 ILE A 37 13.857 -14.180 -2.378 1.00 20.32 C ATOM 567 CD1 ILE A 37 15.920 -12.241 -3.516 1.00 50.13 C ATOM 0 H ILE A 37 11.133 -13.406 -2.807 1.00 61.23 H new ATOM 0 HA ILE A 37 12.456 -13.190 -5.351 1.00 42.11 H new ATOM 0 HB ILE A 37 13.221 -12.259 -3.050 1.00 60.04 H new ATOM 0 HG12 ILE A 37 15.201 -13.848 -4.721 1.00 34.33 H new ATOM 0 HG13 ILE A 37 14.563 -12.276 -5.162 1.00 34.33 H new ATOM 0 HG21 ILE A 37 14.648 -13.781 -1.742 1.00 20.32 H new ATOM 0 HG22 ILE A 37 12.957 -14.337 -1.783 1.00 20.32 H new ATOM 0 HG23 ILE A 37 14.179 -15.129 -2.806 1.00 20.32 H new ATOM 0 HD11 ILE A 37 16.784 -12.070 -4.158 1.00 50.13 H new ATOM 0 HD12 ILE A 37 15.560 -11.287 -3.131 1.00 50.13 H new ATOM 0 HD13 ILE A 37 16.208 -12.883 -2.684 1.00 50.13 H new ATOM 579 N VAL A 38 12.039 -16.077 -3.915 1.00 74.21 N ATOM 580 CA VAL A 38 12.192 -17.518 -4.075 1.00 64.21 C ATOM 581 C VAL A 38 11.483 -18.010 -5.332 1.00 31.45 C ATOM 582 O VAL A 38 12.080 -18.683 -6.173 1.00 20.23 O ATOM 583 CB VAL A 38 11.641 -18.280 -2.856 1.00 30.45 C ATOM 584 CG1 VAL A 38 11.746 -19.782 -3.072 1.00 73.31 C ATOM 585 CG2 VAL A 38 12.376 -17.863 -1.590 1.00 74.34 C ATOM 0 H VAL A 38 11.391 -15.801 -3.177 1.00 74.21 H new ATOM 0 HA VAL A 38 13.260 -17.715 -4.164 1.00 64.21 H new ATOM 0 HB VAL A 38 10.587 -18.027 -2.738 1.00 30.45 H new ATOM 0 HG11 VAL A 38 11.352 -20.303 -2.200 1.00 73.31 H new ATOM 0 HG12 VAL A 38 11.171 -20.064 -3.954 1.00 73.31 H new ATOM 0 HG13 VAL A 38 12.791 -20.057 -3.217 1.00 73.31 H new ATOM 0 HG21 VAL A 38 11.974 -18.411 -0.738 1.00 74.34 H new ATOM 0 HG22 VAL A 38 13.438 -18.085 -1.696 1.00 74.34 H new ATOM 0 HG23 VAL A 38 12.244 -16.793 -1.428 1.00 74.34 H new ATOM 595 N THR A 39 10.204 -17.670 -5.454 1.00 35.21 N ATOM 596 CA THR A 39 9.411 -18.078 -6.607 1.00 43.34 C ATOM 597 C THR A 39 10.117 -17.725 -7.912 1.00 24.24 C ATOM 598 O THR A 39 9.952 -18.407 -8.922 1.00 74.52 O ATOM 599 CB THR A 39 8.020 -17.417 -6.595 1.00 41.31 C ATOM 600 OG1 THR A 39 7.185 -18.014 -7.594 1.00 2.24 O ATOM 601 CG2 THR A 39 8.130 -15.920 -6.847 1.00 34.41 C ATOM 0 H THR A 39 9.695 -17.113 -4.768 1.00 35.21 H new ATOM 0 HA THR A 39 9.292 -19.159 -6.542 1.00 43.34 H new ATOM 0 HB THR A 39 7.577 -17.572 -5.611 1.00 41.31 H new ATOM 0 HG1 THR A 39 6.302 -17.589 -7.579 1.00 2.24 H new ATOM 0 HG21 THR A 39 7.135 -15.475 -6.834 1.00 34.41 H new ATOM 0 HG22 THR A 39 8.742 -15.464 -6.069 1.00 34.41 H new ATOM 0 HG23 THR A 39 8.592 -15.748 -7.819 1.00 34.41 H new ATOM 609 N ALA A 40 10.906 -16.656 -7.882 1.00 0.22 N ATOM 610 CA ALA A 40 11.640 -16.215 -9.062 1.00 13.35 C ATOM 611 C ALA A 40 12.819 -17.137 -9.351 1.00 41.12 C ATOM 612 O ALA A 40 13.140 -17.405 -10.509 1.00 34.34 O ATOM 613 CB ALA A 40 12.120 -14.782 -8.880 1.00 35.34 C ATOM 0 H ALA A 40 11.053 -16.079 -7.054 1.00 0.22 H new ATOM 0 HA ALA A 40 10.964 -16.254 -9.916 1.00 13.35 H new ATOM 0 HB1 ALA A 40 12.666 -14.466 -9.768 1.00 35.34 H new ATOM 0 HB2 ALA A 40 11.262 -14.127 -8.730 1.00 35.34 H new ATOM 0 HB3 ALA A 40 12.776 -14.726 -8.011 1.00 35.34 H new ATOM 619 N ALA A 41 13.462 -17.618 -8.292 1.00 72.42 N ATOM 620 CA ALA A 41 14.605 -18.512 -8.433 1.00 50.45 C ATOM 621 C ALA A 41 14.160 -19.912 -8.842 1.00 4.02 C ATOM 622 O ALA A 41 14.772 -20.539 -9.706 1.00 73.21 O ATOM 623 CB ALA A 41 15.397 -18.565 -7.135 1.00 52.33 C ATOM 0 H ALA A 41 13.211 -17.404 -7.327 1.00 72.42 H new ATOM 0 HA ALA A 41 15.247 -18.119 -9.221 1.00 50.45 H new ATOM 0 HB1 ALA A 41 16.247 -19.236 -7.255 1.00 52.33 H new ATOM 0 HB2 ALA A 41 15.755 -17.566 -6.886 1.00 52.33 H new ATOM 0 HB3 ALA A 41 14.756 -18.931 -6.333 1.00 52.33 H new ATOM 629 N GLU A 42 13.093 -20.396 -8.214 1.00 3.23 N ATOM 630 CA GLU A 42 12.569 -21.723 -8.512 1.00 30.41 C ATOM 631 C GLU A 42 12.150 -21.827 -9.976 1.00 10.24 C ATOM 632 O GLU A 42 12.605 -22.710 -10.703 1.00 12.11 O ATOM 633 CB GLU A 42 11.378 -22.041 -7.605 1.00 71.14 C ATOM 634 CG GLU A 42 11.702 -21.959 -6.123 1.00 40.43 C ATOM 635 CD GLU A 42 11.003 -23.033 -5.313 1.00 4.03 C ATOM 636 OE1 GLU A 42 9.841 -22.814 -4.912 1.00 42.54 O ATOM 637 OE2 GLU A 42 11.620 -24.094 -5.079 1.00 52.20 O ATOM 0 H GLU A 42 12.575 -19.889 -7.496 1.00 3.23 H new ATOM 0 HA GLU A 42 13.361 -22.448 -8.327 1.00 30.41 H new ATOM 0 HB2 GLU A 42 10.566 -21.349 -7.830 1.00 71.14 H new ATOM 0 HB3 GLU A 42 11.015 -23.043 -7.834 1.00 71.14 H new ATOM 0 HG2 GLU A 42 12.780 -22.049 -5.985 1.00 40.43 H new ATOM 0 HG3 GLU A 42 11.413 -20.978 -5.745 1.00 40.43 H new ATOM 644 N LYS A 43 11.279 -20.918 -10.401 1.00 40.11 N ATOM 645 CA LYS A 43 10.798 -20.904 -11.777 1.00 74.33 C ATOM 646 C LYS A 43 11.950 -20.695 -12.755 1.00 32.22 C ATOM 647 O LYS A 43 11.871 -21.098 -13.915 1.00 4.21 O ATOM 648 CB LYS A 43 9.751 -19.803 -11.962 1.00 45.24 C ATOM 649 CG LYS A 43 8.350 -20.331 -12.216 1.00 22.12 C ATOM 650 CD LYS A 43 7.318 -19.598 -11.376 1.00 35.21 C ATOM 651 CE LYS A 43 5.993 -19.466 -12.111 1.00 73.34 C ATOM 652 NZ LYS A 43 5.726 -18.061 -12.526 1.00 60.21 N ATOM 0 H LYS A 43 10.892 -20.181 -9.812 1.00 40.11 H new ATOM 0 HA LYS A 43 10.340 -21.871 -11.985 1.00 74.33 H new ATOM 0 HB2 LYS A 43 9.737 -19.174 -11.072 1.00 45.24 H new ATOM 0 HB3 LYS A 43 10.048 -19.168 -12.797 1.00 45.24 H new ATOM 0 HG2 LYS A 43 8.105 -20.222 -13.272 1.00 22.12 H new ATOM 0 HG3 LYS A 43 8.315 -21.397 -11.989 1.00 22.12 H new ATOM 0 HD2 LYS A 43 7.164 -20.133 -10.439 1.00 35.21 H new ATOM 0 HD3 LYS A 43 7.693 -18.607 -11.119 1.00 35.21 H new ATOM 0 HE2 LYS A 43 6.000 -20.109 -12.991 1.00 73.34 H new ATOM 0 HE3 LYS A 43 5.185 -19.814 -11.468 1.00 73.34 H new ATOM 0 HZ1 LYS A 43 4.814 -18.013 -13.024 1.00 60.21 H new ATOM 0 HZ2 LYS A 43 5.694 -17.451 -11.685 1.00 60.21 H new ATOM 0 HZ3 LYS A 43 6.484 -17.736 -13.160 1.00 60.21 H new ATOM 666 N GLU A 44 13.018 -20.065 -12.277 1.00 42.21 N ATOM 667 CA GLU A 44 14.186 -19.804 -13.110 1.00 42.21 C ATOM 668 C GLU A 44 15.192 -20.947 -13.010 1.00 4.33 C ATOM 669 O GLU A 44 14.953 -21.940 -12.323 1.00 44.42 O ATOM 670 CB GLU A 44 14.850 -18.488 -12.699 1.00 11.21 C ATOM 671 CG GLU A 44 14.138 -17.255 -13.231 1.00 23.14 C ATOM 672 CD GLU A 44 14.009 -17.262 -14.741 1.00 71.44 C ATOM 673 OE1 GLU A 44 15.025 -17.511 -15.423 1.00 72.33 O ATOM 674 OE2 GLU A 44 12.891 -17.019 -15.242 1.00 35.34 O ATOM 0 H GLU A 44 13.099 -19.726 -11.318 1.00 42.21 H new ATOM 0 HA GLU A 44 13.852 -19.726 -14.145 1.00 42.21 H new ATOM 0 HB2 GLU A 44 14.888 -18.434 -11.611 1.00 11.21 H new ATOM 0 HB3 GLU A 44 15.880 -18.484 -13.055 1.00 11.21 H new ATOM 0 HG2 GLU A 44 13.145 -17.193 -12.786 1.00 23.14 H new ATOM 0 HG3 GLU A 44 14.683 -16.363 -12.921 1.00 23.14 H new ATOM 681 N ALA A 45 16.318 -20.798 -13.700 1.00 24.21 N ATOM 682 CA ALA A 45 17.362 -21.816 -13.688 1.00 33.12 C ATOM 683 C ALA A 45 18.631 -21.309 -14.364 1.00 71.44 C ATOM 684 O ALA A 45 19.741 -21.605 -13.923 1.00 3.42 O ATOM 685 CB ALA A 45 16.869 -23.085 -14.368 1.00 41.21 C ATOM 0 H ALA A 45 16.531 -19.982 -14.274 1.00 24.21 H new ATOM 0 HA ALA A 45 17.602 -22.043 -12.649 1.00 33.12 H new ATOM 0 HB1 ALA A 45 17.658 -23.837 -14.352 1.00 41.21 H new ATOM 0 HB2 ALA A 45 15.995 -23.465 -13.839 1.00 41.21 H new ATOM 0 HB3 ALA A 45 16.600 -22.863 -15.401 1.00 41.21 H new ATOM 691 N SER A 46 18.459 -20.546 -15.439 1.00 12.12 N ATOM 692 CA SER A 46 19.591 -20.002 -16.179 1.00 42.12 C ATOM 693 C SER A 46 19.892 -18.572 -15.739 1.00 72.40 C ATOM 694 O SER A 46 19.939 -17.657 -16.560 1.00 1.43 O ATOM 695 CB SER A 46 19.309 -20.036 -17.682 1.00 55.04 C ATOM 696 OG SER A 46 20.512 -19.994 -18.429 1.00 4.43 O ATOM 0 H SER A 46 17.546 -20.291 -15.817 1.00 12.12 H new ATOM 0 HA SER A 46 20.463 -20.620 -15.966 1.00 42.12 H new ATOM 0 HB2 SER A 46 18.755 -20.941 -17.930 1.00 55.04 H new ATOM 0 HB3 SER A 46 18.678 -19.190 -17.956 1.00 55.04 H new ATOM 0 HG SER A 46 20.304 -20.018 -19.386 1.00 4.43 H new ATOM 702 N GLN A 47 20.094 -18.391 -14.438 1.00 41.30 N ATOM 703 CA GLN A 47 20.389 -17.073 -13.888 1.00 64.00 C ATOM 704 C GLN A 47 21.520 -17.150 -12.867 1.00 73.10 C ATOM 705 O GLN A 47 21.556 -18.055 -12.032 1.00 45.54 O ATOM 706 CB GLN A 47 19.139 -16.476 -13.239 1.00 25.33 C ATOM 707 CG GLN A 47 19.071 -14.960 -13.329 1.00 65.45 C ATOM 708 CD GLN A 47 18.880 -14.469 -14.751 1.00 2.23 C ATOM 709 OE1 GLN A 47 19.821 -13.993 -15.387 1.00 72.12 O ATOM 710 NE2 GLN A 47 17.658 -14.581 -15.257 1.00 33.51 N ATOM 0 H GLN A 47 20.059 -19.139 -13.746 1.00 41.30 H new ATOM 0 HA GLN A 47 20.707 -16.428 -14.707 1.00 64.00 H new ATOM 0 HB2 GLN A 47 18.255 -16.900 -13.715 1.00 25.33 H new ATOM 0 HB3 GLN A 47 19.108 -16.771 -12.190 1.00 25.33 H new ATOM 0 HG2 GLN A 47 18.249 -14.599 -12.710 1.00 65.45 H new ATOM 0 HG3 GLN A 47 19.988 -14.534 -12.921 1.00 65.45 H new ATOM 0 HE21 GLN A 47 16.908 -14.982 -14.694 1.00 33.51 H new ATOM 0 HE22 GLN A 47 17.469 -14.266 -16.209 1.00 33.51 H new ATOM 719 N LYS A 48 22.441 -16.196 -12.939 1.00 3.30 N ATOM 720 CA LYS A 48 23.573 -16.154 -12.021 1.00 3.20 C ATOM 721 C LYS A 48 23.158 -15.576 -10.672 1.00 25.04 C ATOM 722 O LYS A 48 23.706 -15.944 -9.632 1.00 62.34 O ATOM 723 CB LYS A 48 24.709 -15.320 -12.617 1.00 44.33 C ATOM 724 CG LYS A 48 25.157 -15.794 -13.989 1.00 53.22 C ATOM 725 CD LYS A 48 26.672 -15.810 -14.107 1.00 75.01 C ATOM 726 CE LYS A 48 27.256 -17.118 -13.596 1.00 4.30 C ATOM 727 NZ LYS A 48 28.745 -17.106 -13.619 1.00 3.23 N ATOM 0 H LYS A 48 22.426 -15.441 -13.624 1.00 3.30 H new ATOM 0 HA LYS A 48 23.922 -17.175 -11.867 1.00 3.20 H new ATOM 0 HB2 LYS A 48 24.387 -14.281 -12.688 1.00 44.33 H new ATOM 0 HB3 LYS A 48 25.561 -15.344 -11.938 1.00 44.33 H new ATOM 0 HG2 LYS A 48 24.766 -16.794 -14.175 1.00 53.22 H new ATOM 0 HG3 LYS A 48 24.738 -15.141 -14.755 1.00 53.22 H new ATOM 0 HD2 LYS A 48 26.959 -15.664 -15.149 1.00 75.01 H new ATOM 0 HD3 LYS A 48 27.091 -14.978 -13.542 1.00 75.01 H new ATOM 0 HE2 LYS A 48 26.910 -17.297 -12.578 1.00 4.30 H new ATOM 0 HE3 LYS A 48 26.890 -17.943 -14.207 1.00 4.30 H new ATOM 0 HZ1 LYS A 48 29.105 -18.015 -13.263 1.00 3.23 H new ATOM 0 HZ2 LYS A 48 29.076 -16.960 -14.594 1.00 3.23 H new ATOM 0 HZ3 LYS A 48 29.095 -16.335 -13.016 1.00 3.23 H new ATOM 741 N VAL A 49 22.186 -14.670 -10.695 1.00 4.43 N ATOM 742 CA VAL A 49 21.696 -14.043 -9.473 1.00 22.02 C ATOM 743 C VAL A 49 20.767 -14.980 -8.709 1.00 63.12 C ATOM 744 O VAL A 49 20.716 -14.953 -7.479 1.00 60.54 O ATOM 745 CB VAL A 49 20.948 -12.731 -9.776 1.00 24.11 C ATOM 746 CG1 VAL A 49 21.851 -11.762 -10.524 1.00 62.21 C ATOM 747 CG2 VAL A 49 19.681 -13.012 -10.569 1.00 13.15 C ATOM 0 H VAL A 49 21.722 -14.354 -11.547 1.00 4.43 H new ATOM 0 HA VAL A 49 22.569 -13.821 -8.859 1.00 22.02 H new ATOM 0 HB VAL A 49 20.663 -12.269 -8.831 1.00 24.11 H new ATOM 0 HG11 VAL A 49 21.305 -10.841 -10.729 1.00 62.21 H new ATOM 0 HG12 VAL A 49 22.727 -11.537 -9.915 1.00 62.21 H new ATOM 0 HG13 VAL A 49 22.169 -12.213 -11.464 1.00 62.21 H new ATOM 0 HG21 VAL A 49 19.165 -12.074 -10.774 1.00 13.15 H new ATOM 0 HG22 VAL A 49 19.941 -13.497 -11.510 1.00 13.15 H new ATOM 0 HG23 VAL A 49 19.028 -13.667 -9.992 1.00 13.15 H new ATOM 757 N ARG A 50 20.034 -15.808 -9.446 1.00 65.24 N ATOM 758 CA ARG A 50 19.106 -16.754 -8.839 1.00 1.23 C ATOM 759 C ARG A 50 19.738 -17.433 -7.627 1.00 34.20 C ATOM 760 O ARG A 50 19.093 -17.603 -6.593 1.00 25.12 O ATOM 761 CB ARG A 50 18.676 -17.808 -9.861 1.00 1.51 C ATOM 762 CG ARG A 50 17.894 -18.961 -9.254 1.00 70.13 C ATOM 763 CD ARG A 50 18.633 -20.280 -9.415 1.00 31.43 C ATOM 764 NE ARG A 50 19.427 -20.610 -8.234 1.00 72.11 N ATOM 765 CZ ARG A 50 19.854 -21.837 -7.955 1.00 14.44 C ATOM 766 NH1 ARG A 50 19.565 -22.844 -8.767 1.00 15.13 N ATOM 767 NH2 ARG A 50 20.572 -22.057 -6.861 1.00 34.33 N ATOM 0 H ARG A 50 20.065 -15.843 -10.465 1.00 65.24 H new ATOM 0 HA ARG A 50 18.227 -16.201 -8.508 1.00 1.23 H new ATOM 0 HB2 ARG A 50 18.066 -17.331 -10.628 1.00 1.51 H new ATOM 0 HB3 ARG A 50 19.562 -18.203 -10.358 1.00 1.51 H new ATOM 0 HG2 ARG A 50 17.720 -18.767 -8.196 1.00 70.13 H new ATOM 0 HG3 ARG A 50 16.916 -19.030 -9.731 1.00 70.13 H new ATOM 0 HD2 ARG A 50 17.914 -21.078 -9.603 1.00 31.43 H new ATOM 0 HD3 ARG A 50 19.285 -20.226 -10.287 1.00 31.43 H new ATOM 0 HE ARG A 50 19.667 -19.858 -7.588 1.00 72.11 H new ATOM 0 HH11 ARG A 50 19.013 -22.678 -9.609 1.00 15.13 H new ATOM 0 HH12 ARG A 50 19.894 -23.785 -8.550 1.00 15.13 H new ATOM 0 HH21 ARG A 50 20.796 -21.284 -6.234 1.00 34.33 H new ATOM 0 HH22 ARG A 50 20.900 -22.999 -6.647 1.00 34.33 H new ATOM 781 N ASN A 51 21.002 -17.820 -7.764 1.00 12.22 N ATOM 782 CA ASN A 51 21.720 -18.482 -6.681 1.00 1.32 C ATOM 783 C ASN A 51 21.727 -17.616 -5.424 1.00 62.52 C ATOM 784 O ASN A 51 21.406 -18.086 -4.332 1.00 34.11 O ATOM 785 CB ASN A 51 23.156 -18.792 -7.108 1.00 41.21 C ATOM 786 CG ASN A 51 23.885 -19.659 -6.100 1.00 31.12 C ATOM 787 OD1 ASN A 51 23.710 -20.877 -6.071 1.00 61.41 O ATOM 788 ND2 ASN A 51 24.707 -19.033 -5.266 1.00 42.10 N ATOM 0 H ASN A 51 21.550 -17.687 -8.614 1.00 12.22 H new ATOM 0 HA ASN A 51 21.206 -19.416 -6.455 1.00 1.32 H new ATOM 0 HB2 ASN A 51 23.144 -19.296 -8.075 1.00 41.21 H new ATOM 0 HB3 ASN A 51 23.702 -17.858 -7.242 1.00 41.21 H new ATOM 0 HD21 ASN A 51 25.224 -19.564 -4.565 1.00 42.10 H new ATOM 0 HD22 ASN A 51 24.821 -18.021 -5.326 1.00 42.10 H new ATOM 795 N LEU A 52 22.095 -16.350 -5.587 1.00 23.55 N ATOM 796 CA LEU A 52 22.144 -15.418 -4.466 1.00 32.14 C ATOM 797 C LEU A 52 20.738 -15.050 -4.002 1.00 50.24 C ATOM 798 O LEU A 52 20.517 -14.758 -2.826 1.00 52.44 O ATOM 799 CB LEU A 52 22.910 -14.155 -4.861 1.00 4.45 C ATOM 800 CG LEU A 52 23.521 -13.353 -3.710 1.00 54.34 C ATOM 801 CD1 LEU A 52 24.534 -14.195 -2.951 1.00 34.12 C ATOM 802 CD2 LEU A 52 24.168 -12.079 -4.233 1.00 44.22 C ATOM 0 H LEU A 52 22.364 -15.946 -6.484 1.00 23.55 H new ATOM 0 HA LEU A 52 22.662 -15.907 -3.641 1.00 32.14 H new ATOM 0 HB2 LEU A 52 23.710 -14.438 -5.545 1.00 4.45 H new ATOM 0 HB3 LEU A 52 22.234 -13.502 -5.414 1.00 4.45 H new ATOM 0 HG LEU A 52 22.723 -13.075 -3.022 1.00 54.34 H new ATOM 0 HD11 LEU A 52 24.958 -13.608 -2.136 1.00 34.12 H new ATOM 0 HD12 LEU A 52 24.041 -15.078 -2.544 1.00 34.12 H new ATOM 0 HD13 LEU A 52 25.330 -14.504 -3.628 1.00 34.12 H new ATOM 0 HD21 LEU A 52 24.597 -11.521 -3.401 1.00 44.22 H new ATOM 0 HD22 LEU A 52 24.955 -12.335 -4.943 1.00 44.22 H new ATOM 0 HD23 LEU A 52 23.416 -11.467 -4.731 1.00 44.22 H new ATOM 814 N LEU A 53 19.790 -15.068 -4.933 1.00 45.33 N ATOM 815 CA LEU A 53 18.404 -14.738 -4.620 1.00 43.14 C ATOM 816 C LEU A 53 17.861 -15.650 -3.525 1.00 62.23 C ATOM 817 O LEU A 53 17.171 -15.198 -2.611 1.00 53.21 O ATOM 818 CB LEU A 53 17.536 -14.855 -5.874 1.00 41.34 C ATOM 819 CG LEU A 53 17.343 -13.569 -6.680 1.00 24.24 C ATOM 820 CD1 LEU A 53 18.586 -12.696 -6.597 1.00 32.12 C ATOM 821 CD2 LEU A 53 17.012 -13.892 -8.129 1.00 60.42 C ATOM 0 H LEU A 53 19.956 -15.308 -5.910 1.00 45.33 H new ATOM 0 HA LEU A 53 18.374 -13.710 -4.259 1.00 43.14 H new ATOM 0 HB2 LEU A 53 17.977 -15.607 -6.528 1.00 41.34 H new ATOM 0 HB3 LEU A 53 16.554 -15.226 -5.579 1.00 41.34 H new ATOM 0 HG LEU A 53 16.506 -13.017 -6.252 1.00 24.24 H new ATOM 0 HD11 LEU A 53 18.431 -11.786 -7.176 1.00 32.12 H new ATOM 0 HD12 LEU A 53 18.779 -12.436 -5.556 1.00 32.12 H new ATOM 0 HD13 LEU A 53 19.440 -13.240 -6.999 1.00 32.12 H new ATOM 0 HD21 LEU A 53 16.878 -12.965 -8.687 1.00 60.42 H new ATOM 0 HD22 LEU A 53 17.827 -14.466 -8.569 1.00 60.42 H new ATOM 0 HD23 LEU A 53 16.093 -14.477 -8.171 1.00 60.42 H new ATOM 833 N LEU A 54 18.179 -16.936 -3.623 1.00 21.45 N ATOM 834 CA LEU A 54 17.725 -17.913 -2.639 1.00 22.23 C ATOM 835 C LEU A 54 18.542 -17.812 -1.354 1.00 55.02 C ATOM 836 O LEU A 54 17.990 -17.823 -0.253 1.00 40.21 O ATOM 837 CB LEU A 54 17.827 -19.328 -3.211 1.00 62.11 C ATOM 838 CG LEU A 54 17.014 -19.600 -4.477 1.00 62.13 C ATOM 839 CD1 LEU A 54 17.779 -20.521 -5.415 1.00 60.11 C ATOM 840 CD2 LEU A 54 15.661 -20.200 -4.124 1.00 2.03 C ATOM 0 H LEU A 54 18.749 -17.327 -4.373 1.00 21.45 H new ATOM 0 HA LEU A 54 16.683 -17.697 -2.404 1.00 22.23 H new ATOM 0 HB2 LEU A 54 18.875 -19.537 -3.424 1.00 62.11 H new ATOM 0 HB3 LEU A 54 17.511 -20.033 -2.442 1.00 62.11 H new ATOM 0 HG LEU A 54 16.846 -18.652 -4.988 1.00 62.13 H new ATOM 0 HD11 LEU A 54 17.185 -20.703 -6.310 1.00 60.11 H new ATOM 0 HD12 LEU A 54 18.723 -20.053 -5.695 1.00 60.11 H new ATOM 0 HD13 LEU A 54 17.978 -21.468 -4.913 1.00 60.11 H new ATOM 0 HD21 LEU A 54 15.096 -20.387 -5.037 1.00 2.03 H new ATOM 0 HD22 LEU A 54 15.807 -21.139 -3.590 1.00 2.03 H new ATOM 0 HD23 LEU A 54 15.109 -19.505 -3.492 1.00 2.03 H new ATOM 852 N HIS A 55 19.859 -17.711 -1.502 1.00 73.54 N ATOM 853 CA HIS A 55 20.751 -17.605 -0.354 1.00 24.12 C ATOM 854 C HIS A 55 20.385 -16.402 0.510 1.00 52.24 C ATOM 855 O HIS A 55 20.267 -16.513 1.730 1.00 14.21 O ATOM 856 CB HIS A 55 22.203 -17.491 -0.819 1.00 5.53 C ATOM 857 CG HIS A 55 23.201 -17.854 0.238 1.00 40.22 C ATOM 858 ND1 HIS A 55 24.519 -18.147 -0.041 1.00 4.42 N ATOM 859 CD2 HIS A 55 23.067 -17.969 1.580 1.00 70.12 C ATOM 860 CE1 HIS A 55 25.153 -18.428 1.084 1.00 73.01 C ATOM 861 NE2 HIS A 55 24.294 -18.327 2.082 1.00 12.03 N ATOM 0 H HIS A 55 20.332 -17.700 -2.406 1.00 73.54 H new ATOM 0 HA HIS A 55 20.639 -18.508 0.246 1.00 24.12 H new ATOM 0 HB2 HIS A 55 22.351 -18.138 -1.684 1.00 5.53 H new ATOM 0 HB3 HIS A 55 22.391 -16.469 -1.149 1.00 5.53 H new ATOM 0 HD2 HIS A 55 22.164 -17.809 2.150 1.00 70.12 H new ATOM 0 HE1 HIS A 55 26.196 -18.695 1.172 1.00 73.01 H new ATOM 0 HE2 HIS A 55 24.507 -18.489 3.066 1.00 12.03 H new ATOM 869 N LYS A 56 20.207 -15.252 -0.132 1.00 13.13 N ATOM 870 CA LYS A 56 19.853 -14.027 0.576 1.00 21.22 C ATOM 871 C LYS A 56 18.408 -14.078 1.063 1.00 4.01 C ATOM 872 O LYS A 56 18.095 -13.609 2.156 1.00 12.13 O ATOM 873 CB LYS A 56 20.054 -12.812 -0.333 1.00 32.34 C ATOM 874 CG LYS A 56 21.513 -12.485 -0.597 1.00 63.22 C ATOM 875 CD LYS A 56 22.198 -11.944 0.647 1.00 72.12 C ATOM 876 CE LYS A 56 23.668 -11.651 0.391 1.00 23.30 C ATOM 877 NZ LYS A 56 24.154 -10.500 1.201 1.00 32.02 N ATOM 0 H LYS A 56 20.302 -15.143 -1.142 1.00 13.13 H new ATOM 0 HA LYS A 56 20.507 -13.936 1.443 1.00 21.22 H new ATOM 0 HB2 LYS A 56 19.553 -12.993 -1.284 1.00 32.34 H new ATOM 0 HB3 LYS A 56 19.573 -11.946 0.121 1.00 32.34 H new ATOM 0 HG2 LYS A 56 22.031 -13.381 -0.938 1.00 63.22 H new ATOM 0 HG3 LYS A 56 21.583 -11.751 -1.400 1.00 63.22 H new ATOM 0 HD2 LYS A 56 21.696 -11.033 0.973 1.00 72.12 H new ATOM 0 HD3 LYS A 56 22.106 -12.667 1.458 1.00 72.12 H new ATOM 0 HE2 LYS A 56 24.261 -12.535 0.625 1.00 23.30 H new ATOM 0 HE3 LYS A 56 23.817 -11.438 -0.668 1.00 23.30 H new ATOM 0 HZ1 LYS A 56 25.160 -10.333 0.998 1.00 32.02 H new ATOM 0 HZ2 LYS A 56 23.606 -9.650 0.960 1.00 32.02 H new ATOM 0 HZ3 LYS A 56 24.036 -10.713 2.212 1.00 32.02 H new ATOM 891 N GLY A 57 17.532 -14.652 0.244 1.00 22.10 N ATOM 892 CA GLY A 57 16.132 -14.755 0.610 1.00 53.41 C ATOM 893 C GLY A 57 15.910 -15.656 1.808 1.00 31.02 C ATOM 894 O GLY A 57 15.037 -15.397 2.637 1.00 74.24 O ATOM 0 H GLY A 57 17.767 -15.047 -0.666 1.00 22.10 H new ATOM 0 HA2 GLY A 57 15.743 -13.761 0.830 1.00 53.41 H new ATOM 0 HA3 GLY A 57 15.565 -15.138 -0.239 1.00 53.41 H new ATOM 898 N LYS A 58 16.701 -16.719 1.901 1.00 23.31 N ATOM 899 CA LYS A 58 16.588 -17.664 3.006 1.00 1.32 C ATOM 900 C LYS A 58 17.201 -17.088 4.279 1.00 52.11 C ATOM 901 O LYS A 58 16.745 -17.379 5.384 1.00 31.01 O ATOM 902 CB LYS A 58 17.275 -18.984 2.649 1.00 42.43 C ATOM 903 CG LYS A 58 18.064 -19.589 3.797 1.00 44.04 C ATOM 904 CD LYS A 58 19.468 -19.012 3.874 1.00 13.42 C ATOM 905 CE LYS A 58 20.523 -20.073 3.604 1.00 71.13 C ATOM 906 NZ LYS A 58 20.739 -20.954 4.785 1.00 43.31 N ATOM 0 H LYS A 58 17.428 -16.948 1.224 1.00 23.31 H new ATOM 0 HA LYS A 58 15.529 -17.850 3.185 1.00 1.32 H new ATOM 0 HB2 LYS A 58 16.521 -19.699 2.321 1.00 42.43 H new ATOM 0 HB3 LYS A 58 17.946 -18.818 1.806 1.00 42.43 H new ATOM 0 HG2 LYS A 58 17.542 -19.404 4.736 1.00 44.04 H new ATOM 0 HG3 LYS A 58 18.120 -20.670 3.671 1.00 44.04 H new ATOM 0 HD2 LYS A 58 19.570 -18.204 3.150 1.00 13.42 H new ATOM 0 HD3 LYS A 58 19.631 -18.579 4.861 1.00 13.42 H new ATOM 0 HE2 LYS A 58 20.219 -20.678 2.750 1.00 71.13 H new ATOM 0 HE3 LYS A 58 21.462 -19.591 3.334 1.00 71.13 H new ATOM 0 HZ1 LYS A 58 21.465 -21.664 4.560 1.00 43.31 H new ATOM 0 HZ2 LYS A 58 21.054 -20.380 5.593 1.00 43.31 H new ATOM 0 HZ3 LYS A 58 19.849 -21.434 5.027 1.00 43.31 H new ATOM 920 N GLU A 59 18.235 -16.269 4.114 1.00 10.14 N ATOM 921 CA GLU A 59 18.909 -15.652 5.251 1.00 35.33 C ATOM 922 C GLU A 59 18.006 -14.623 5.925 1.00 3.43 C ATOM 923 O GLU A 59 17.755 -14.694 7.128 1.00 11.34 O ATOM 924 CB GLU A 59 20.212 -14.988 4.802 1.00 74.14 C ATOM 925 CG GLU A 59 21.412 -15.920 4.832 1.00 54.32 C ATOM 926 CD GLU A 59 22.252 -15.748 6.082 1.00 1.11 C ATOM 927 OE1 GLU A 59 21.669 -15.665 7.183 1.00 11.11 O ATOM 928 OE2 GLU A 59 23.494 -15.697 5.959 1.00 50.21 O ATOM 0 H GLU A 59 18.624 -16.017 3.205 1.00 10.14 H new ATOM 0 HA GLU A 59 19.140 -16.436 5.973 1.00 35.33 H new ATOM 0 HB2 GLU A 59 20.085 -14.606 3.789 1.00 74.14 H new ATOM 0 HB3 GLU A 59 20.413 -14.130 5.444 1.00 74.14 H new ATOM 0 HG2 GLU A 59 21.067 -16.952 4.769 1.00 54.32 H new ATOM 0 HG3 GLU A 59 22.032 -15.737 3.954 1.00 54.32 H new ATOM 935 N VAL A 60 17.522 -13.665 5.141 1.00 41.02 N ATOM 936 CA VAL A 60 16.647 -12.620 5.660 1.00 25.42 C ATOM 937 C VAL A 60 15.484 -13.217 6.444 1.00 73.35 C ATOM 938 O VAL A 60 14.986 -12.613 7.394 1.00 1.15 O ATOM 939 CB VAL A 60 16.091 -11.739 4.526 1.00 35.52 C ATOM 940 CG1 VAL A 60 17.220 -11.016 3.808 1.00 74.52 C ATOM 941 CG2 VAL A 60 15.278 -12.578 3.551 1.00 14.31 C ATOM 0 H VAL A 60 17.721 -13.591 4.143 1.00 41.02 H new ATOM 0 HA VAL A 60 17.250 -12.003 6.326 1.00 25.42 H new ATOM 0 HB VAL A 60 15.432 -10.988 4.962 1.00 35.52 H new ATOM 0 HG11 VAL A 60 16.807 -10.399 3.010 1.00 74.52 H new ATOM 0 HG12 VAL A 60 17.755 -10.384 4.516 1.00 74.52 H new ATOM 0 HG13 VAL A 60 17.908 -11.747 3.382 1.00 74.52 H new ATOM 0 HG21 VAL A 60 14.892 -11.940 2.756 1.00 14.31 H new ATOM 0 HG22 VAL A 60 15.913 -13.352 3.120 1.00 14.31 H new ATOM 0 HG23 VAL A 60 14.446 -13.044 4.078 1.00 14.31 H new ATOM 951 N LEU A 61 15.054 -14.407 6.039 1.00 60.33 N ATOM 952 CA LEU A 61 13.948 -15.088 6.703 1.00 30.02 C ATOM 953 C LEU A 61 14.341 -15.516 8.114 1.00 75.35 C ATOM 954 O LEU A 61 13.655 -15.193 9.083 1.00 23.52 O ATOM 955 CB LEU A 61 13.512 -16.308 5.890 1.00 31.22 C ATOM 956 CG LEU A 61 12.212 -16.158 5.099 1.00 21.00 C ATOM 957 CD1 LEU A 61 12.428 -15.275 3.880 1.00 63.44 C ATOM 958 CD2 LEU A 61 11.679 -17.522 4.685 1.00 42.12 C ATOM 0 H LEU A 61 15.455 -14.920 5.254 1.00 60.33 H new ATOM 0 HA LEU A 61 13.114 -14.390 6.774 1.00 30.02 H new ATOM 0 HB2 LEU A 61 14.311 -16.559 5.193 1.00 31.22 H new ATOM 0 HB3 LEU A 61 13.405 -17.153 6.570 1.00 31.22 H new ATOM 0 HG LEU A 61 11.471 -15.681 5.741 1.00 21.00 H new ATOM 0 HD11 LEU A 61 11.492 -15.180 3.329 1.00 63.44 H new ATOM 0 HD12 LEU A 61 12.763 -14.288 4.200 1.00 63.44 H new ATOM 0 HD13 LEU A 61 13.184 -15.723 3.235 1.00 63.44 H new ATOM 0 HD21 LEU A 61 10.754 -17.396 4.123 1.00 42.12 H new ATOM 0 HD22 LEU A 61 12.416 -18.027 4.061 1.00 42.12 H new ATOM 0 HD23 LEU A 61 11.485 -18.122 5.574 1.00 42.12 H new ATOM 970 N GLU A 62 15.449 -16.243 8.219 1.00 53.10 N ATOM 971 CA GLU A 62 15.933 -16.714 9.512 1.00 54.45 C ATOM 972 C GLU A 62 16.405 -15.546 10.374 1.00 72.44 C ATOM 973 O GLU A 62 16.298 -15.584 11.599 1.00 10.44 O ATOM 974 CB GLU A 62 17.074 -17.715 9.320 1.00 13.20 C ATOM 975 CG GLU A 62 18.273 -17.138 8.586 1.00 74.20 C ATOM 976 CD GLU A 62 19.464 -18.077 8.586 1.00 15.11 C ATOM 977 OE1 GLU A 62 20.158 -18.155 9.621 1.00 44.54 O ATOM 978 OE2 GLU A 62 19.700 -18.734 7.551 1.00 61.22 O ATOM 0 H GLU A 62 16.028 -16.518 7.426 1.00 53.10 H new ATOM 0 HA GLU A 62 15.107 -17.209 10.023 1.00 54.45 H new ATOM 0 HB2 GLU A 62 17.396 -18.077 10.296 1.00 13.20 H new ATOM 0 HB3 GLU A 62 16.701 -18.577 8.767 1.00 13.20 H new ATOM 0 HG2 GLU A 62 17.991 -16.914 7.557 1.00 74.20 H new ATOM 0 HG3 GLU A 62 18.559 -16.194 9.050 1.00 74.20 H new ATOM 985 N TRP A 63 16.927 -14.513 9.724 1.00 41.40 N ATOM 986 CA TRP A 63 17.416 -13.334 10.431 1.00 65.23 C ATOM 987 C TRP A 63 16.258 -12.488 10.946 1.00 54.25 C ATOM 988 O TRP A 63 16.304 -11.968 12.060 1.00 32.10 O ATOM 989 CB TRP A 63 18.307 -12.497 9.512 1.00 43.52 C ATOM 990 CG TRP A 63 18.920 -11.312 10.196 1.00 31.45 C ATOM 991 CD1 TRP A 63 19.870 -11.334 11.178 1.00 53.34 C ATOM 992 CD2 TRP A 63 18.623 -9.933 9.952 1.00 23.24 C ATOM 993 NE1 TRP A 63 20.181 -10.051 11.558 1.00 4.31 N ATOM 994 CE2 TRP A 63 19.431 -9.173 10.821 1.00 62.31 C ATOM 995 CE3 TRP A 63 17.756 -9.266 9.083 1.00 32.05 C ATOM 996 CZ2 TRP A 63 19.394 -7.782 10.844 1.00 2.35 C ATOM 997 CZ3 TRP A 63 17.720 -7.885 9.108 1.00 1.13 C ATOM 998 CH2 TRP A 63 18.535 -7.155 9.983 1.00 5.41 C ATOM 0 H TRP A 63 17.023 -14.467 8.710 1.00 41.40 H new ATOM 0 HA TRP A 63 18.002 -13.671 11.286 1.00 65.23 H new ATOM 0 HB2 TRP A 63 19.101 -13.129 9.114 1.00 43.52 H new ATOM 0 HB3 TRP A 63 17.718 -12.152 8.662 1.00 43.52 H new ATOM 0 HD1 TRP A 63 20.311 -12.228 11.594 1.00 53.34 H new ATOM 0 HE1 TRP A 63 20.861 -9.794 12.274 1.00 4.31 H new ATOM 0 HE3 TRP A 63 17.125 -9.820 8.404 1.00 32.05 H new ATOM 0 HZ2 TRP A 63 20.021 -7.217 11.518 1.00 2.35 H new ATOM 0 HZ3 TRP A 63 17.052 -7.359 8.442 1.00 1.13 H new ATOM 0 HH2 TRP A 63 18.484 -6.076 9.978 1.00 5.41 H new ATOM 1009 N ALA A 64 15.219 -12.354 10.127 1.00 1.41 N ATOM 1010 CA ALA A 64 14.047 -11.572 10.502 1.00 43.13 C ATOM 1011 C ALA A 64 13.467 -12.053 11.827 1.00 31.41 C ATOM 1012 O ALA A 64 12.939 -11.262 12.607 1.00 10.24 O ATOM 1013 CB ALA A 64 12.994 -11.641 9.406 1.00 61.42 C ATOM 0 H ALA A 64 15.165 -12.777 9.200 1.00 1.41 H new ATOM 0 HA ALA A 64 14.358 -10.535 10.627 1.00 43.13 H new ATOM 0 HB1 ALA A 64 12.124 -11.053 9.699 1.00 61.42 H new ATOM 0 HB2 ALA A 64 13.407 -11.242 8.479 1.00 61.42 H new ATOM 0 HB3 ALA A 64 12.696 -12.678 9.253 1.00 61.42 H new ATOM 1019 N GLU A 65 13.568 -13.356 12.074 1.00 50.31 N ATOM 1020 CA GLU A 65 13.051 -13.942 13.305 1.00 11.41 C ATOM 1021 C GLU A 65 13.971 -13.632 14.483 1.00 74.31 C ATOM 1022 O GLU A 65 13.546 -13.654 15.639 1.00 42.43 O ATOM 1023 CB GLU A 65 12.895 -15.456 13.149 1.00 2.24 C ATOM 1024 CG GLU A 65 11.762 -15.859 12.220 1.00 5.23 C ATOM 1025 CD GLU A 65 10.921 -16.989 12.782 1.00 43.42 C ATOM 1026 OE1 GLU A 65 9.941 -16.698 13.499 1.00 41.30 O ATOM 1027 OE2 GLU A 65 11.243 -18.163 12.505 1.00 51.13 O ATOM 0 H GLU A 65 14.003 -14.025 11.438 1.00 50.31 H new ATOM 0 HA GLU A 65 12.074 -13.503 13.504 1.00 11.41 H new ATOM 0 HB2 GLU A 65 13.829 -15.872 12.771 1.00 2.24 H new ATOM 0 HB3 GLU A 65 12.723 -15.898 14.130 1.00 2.24 H new ATOM 0 HG2 GLU A 65 11.125 -14.995 12.034 1.00 5.23 H new ATOM 0 HG3 GLU A 65 12.176 -16.163 11.258 1.00 5.23 H new ATOM 1034 N HIS A 66 15.233 -13.345 14.181 1.00 30.50 N ATOM 1035 CA HIS A 66 16.214 -13.032 15.214 1.00 13.41 C ATOM 1036 C HIS A 66 15.895 -11.695 15.878 1.00 71.41 C ATOM 1037 O HIS A 66 15.802 -11.605 17.103 1.00 72.41 O ATOM 1038 CB HIS A 66 17.621 -12.995 14.617 1.00 53.21 C ATOM 1039 CG HIS A 66 18.576 -13.942 15.276 1.00 40.42 C ATOM 1040 ND1 HIS A 66 18.940 -13.842 16.602 1.00 1.10 N ATOM 1041 CD2 HIS A 66 19.242 -15.012 14.784 1.00 62.32 C ATOM 1042 CE1 HIS A 66 19.790 -14.809 16.897 1.00 61.11 C ATOM 1043 NE2 HIS A 66 19.990 -15.534 15.811 1.00 52.22 N ATOM 0 H HIS A 66 15.600 -13.323 13.230 1.00 30.50 H new ATOM 0 HA HIS A 66 16.170 -13.814 15.972 1.00 13.41 H new ATOM 0 HB2 HIS A 66 17.562 -13.232 13.555 1.00 53.21 H new ATOM 0 HB3 HIS A 66 18.014 -11.981 14.697 1.00 53.21 H new ATOM 0 HD2 HIS A 66 19.194 -15.386 13.772 1.00 62.32 H new ATOM 0 HE1 HIS A 66 20.244 -14.978 17.862 1.00 61.11 H new ATOM 0 HE2 HIS A 66 20.600 -16.349 15.746 1.00 52.22 H new ATOM 1051 N LEU A 67 15.729 -10.660 15.062 1.00 2.14 N ATOM 1052 CA LEU A 67 15.421 -9.328 15.570 1.00 4.54 C ATOM 1053 C LEU A 67 14.003 -9.272 16.129 1.00 2.01 C ATOM 1054 O LEU A 67 13.729 -8.542 17.081 1.00 54.21 O ATOM 1055 CB LEU A 67 15.586 -8.287 14.462 1.00 41.25 C ATOM 1056 CG LEU A 67 14.457 -8.218 13.433 1.00 41.14 C ATOM 1057 CD1 LEU A 67 13.431 -7.170 13.835 1.00 21.13 C ATOM 1058 CD2 LEU A 67 15.014 -7.917 12.049 1.00 63.32 C ATOM 0 H LEU A 67 15.802 -10.718 14.046 1.00 2.14 H new ATOM 0 HA LEU A 67 16.119 -9.104 16.377 1.00 4.54 H new ATOM 0 HB2 LEU A 67 15.689 -7.306 14.925 1.00 41.25 H new ATOM 0 HB3 LEU A 67 16.519 -8.490 13.936 1.00 41.25 H new ATOM 0 HG LEU A 67 13.962 -9.188 13.401 1.00 41.14 H new ATOM 0 HD11 LEU A 67 12.635 -7.135 13.091 1.00 21.13 H new ATOM 0 HD12 LEU A 67 13.009 -7.428 14.806 1.00 21.13 H new ATOM 0 HD13 LEU A 67 13.913 -6.194 13.897 1.00 21.13 H new ATOM 0 HD21 LEU A 67 14.196 -7.872 11.330 1.00 63.32 H new ATOM 0 HD22 LEU A 67 15.535 -6.960 12.067 1.00 63.32 H new ATOM 0 HD23 LEU A 67 15.710 -8.704 11.758 1.00 63.32 H new ATOM 1070 N ALA A 68 13.107 -10.050 15.532 1.00 74.12 N ATOM 1071 CA ALA A 68 11.718 -10.093 15.972 1.00 12.34 C ATOM 1072 C ALA A 68 11.609 -10.639 17.392 1.00 74.43 C ATOM 1073 O ALA A 68 10.760 -10.205 18.170 1.00 70.13 O ATOM 1074 CB ALA A 68 10.886 -10.934 15.015 1.00 1.23 C ATOM 0 H ALA A 68 13.318 -10.660 14.742 1.00 74.12 H new ATOM 0 HA ALA A 68 11.331 -9.074 15.972 1.00 12.34 H new ATOM 0 HB1 ALA A 68 9.851 -10.957 15.356 1.00 1.23 H new ATOM 0 HB2 ALA A 68 10.929 -10.499 14.017 1.00 1.23 H new ATOM 0 HB3 ALA A 68 11.281 -11.950 14.986 1.00 1.23 H new ATOM 1080 N GLU A 69 12.472 -11.595 17.721 1.00 4.32 N ATOM 1081 CA GLU A 69 12.471 -12.201 19.047 1.00 35.22 C ATOM 1082 C GLU A 69 13.207 -11.318 20.050 1.00 23.23 C ATOM 1083 O GLU A 69 12.999 -11.427 21.259 1.00 45.03 O ATOM 1084 CB GLU A 69 13.117 -13.587 19.000 1.00 44.05 C ATOM 1085 CG GLU A 69 12.226 -14.654 18.387 1.00 32.12 C ATOM 1086 CD GLU A 69 11.570 -15.536 19.432 1.00 60.32 C ATOM 1087 OE1 GLU A 69 12.298 -16.088 20.284 1.00 43.53 O ATOM 1088 OE2 GLU A 69 10.330 -15.676 19.398 1.00 53.25 O ATOM 0 H GLU A 69 13.180 -11.966 17.088 1.00 4.32 H new ATOM 0 HA GLU A 69 11.435 -12.302 19.371 1.00 35.22 H new ATOM 0 HB2 GLU A 69 14.044 -13.527 18.429 1.00 44.05 H new ATOM 0 HB3 GLU A 69 13.386 -13.888 20.013 1.00 44.05 H new ATOM 0 HG2 GLU A 69 11.454 -14.175 17.784 1.00 32.12 H new ATOM 0 HG3 GLU A 69 12.818 -15.274 17.713 1.00 32.12 H new ATOM 1095 N TRP A 70 14.068 -10.445 19.540 1.00 25.41 N ATOM 1096 CA TRP A 70 14.837 -9.544 20.391 1.00 41.22 C ATOM 1097 C TRP A 70 13.951 -8.919 21.462 1.00 13.52 C ATOM 1098 O TRP A 70 14.384 -8.712 22.596 1.00 3.20 O ATOM 1099 CB TRP A 70 15.490 -8.447 19.548 1.00 62.21 C ATOM 1100 CG TRP A 70 16.805 -7.981 20.096 1.00 50.33 C ATOM 1101 CD1 TRP A 70 17.024 -6.880 20.874 1.00 25.43 C ATOM 1102 CD2 TRP A 70 18.081 -8.600 19.904 1.00 24.33 C ATOM 1103 NE1 TRP A 70 18.361 -6.779 21.178 1.00 14.44 N ATOM 1104 CE2 TRP A 70 19.030 -7.822 20.596 1.00 22.10 C ATOM 1105 CE3 TRP A 70 18.515 -9.738 19.218 1.00 40.42 C ATOM 1106 CZ2 TRP A 70 20.384 -8.146 20.618 1.00 1.24 C ATOM 1107 CZ3 TRP A 70 19.859 -10.057 19.241 1.00 62.42 C ATOM 1108 CH2 TRP A 70 20.781 -9.265 19.938 1.00 52.34 C ATOM 0 H TRP A 70 14.251 -10.342 18.542 1.00 25.41 H new ATOM 0 HA TRP A 70 15.616 -10.126 20.884 1.00 41.22 H new ATOM 0 HB2 TRP A 70 15.638 -8.818 18.534 1.00 62.21 H new ATOM 0 HB3 TRP A 70 14.811 -7.597 19.481 1.00 62.21 H new ATOM 0 HD1 TRP A 70 16.260 -6.191 21.202 1.00 25.43 H new ATOM 0 HE1 TRP A 70 18.786 -6.046 21.745 1.00 14.44 H new ATOM 0 HE3 TRP A 70 17.812 -10.357 18.680 1.00 40.42 H new ATOM 0 HZ2 TRP A 70 21.096 -7.535 21.153 1.00 1.24 H new ATOM 0 HZ3 TRP A 70 20.205 -10.933 18.712 1.00 62.42 H new ATOM 0 HH2 TRP A 70 21.825 -9.543 19.939 1.00 52.34 H new ATOM 1119 N ILE A 71 12.709 -8.620 21.096 1.00 13.04 N ATOM 1120 CA ILE A 71 11.762 -8.020 22.028 1.00 50.50 C ATOM 1121 C ILE A 71 11.709 -8.800 23.337 1.00 54.01 C ATOM 1122 O ILE A 71 11.708 -8.216 24.421 1.00 3.34 O ATOM 1123 CB ILE A 71 10.346 -7.951 21.426 1.00 61.41 C ATOM 1124 CG1 ILE A 71 9.905 -9.336 20.947 1.00 15.04 C ATOM 1125 CG2 ILE A 71 10.305 -6.951 20.280 1.00 23.13 C ATOM 1126 CD1 ILE A 71 8.638 -9.314 20.121 1.00 35.24 C ATOM 0 H ILE A 71 12.335 -8.783 20.161 1.00 13.04 H new ATOM 0 HA ILE A 71 12.113 -7.007 22.226 1.00 50.50 H new ATOM 0 HB ILE A 71 9.654 -7.616 22.199 1.00 61.41 H new ATOM 0 HG12 ILE A 71 10.707 -9.780 20.356 1.00 15.04 H new ATOM 0 HG13 ILE A 71 9.753 -9.980 21.813 1.00 15.04 H new ATOM 0 HG21 ILE A 71 9.298 -6.914 19.865 1.00 23.13 H new ATOM 0 HG22 ILE A 71 10.582 -5.963 20.649 1.00 23.13 H new ATOM 0 HG23 ILE A 71 11.006 -7.258 19.504 1.00 23.13 H new ATOM 0 HD11 ILE A 71 8.385 -10.329 19.816 1.00 35.24 H new ATOM 0 HD12 ILE A 71 7.823 -8.900 20.715 1.00 35.24 H new ATOM 0 HD13 ILE A 71 8.791 -8.697 19.236 1.00 35.24 H new ATOM 1138 N LEU A 72 11.665 -10.123 23.229 1.00 63.21 N ATOM 1139 CA LEU A 72 11.614 -10.986 24.404 1.00 11.44 C ATOM 1140 C LEU A 72 12.964 -11.022 25.112 1.00 25.43 C ATOM 1141 O LEU A 72 13.034 -10.970 26.340 1.00 53.33 O ATOM 1142 CB LEU A 72 11.196 -12.402 24.004 1.00 2.24 C ATOM 1143 CG LEU A 72 9.925 -12.514 23.162 1.00 41.11 C ATOM 1144 CD1 LEU A 72 10.229 -13.165 21.821 1.00 11.24 C ATOM 1145 CD2 LEU A 72 8.858 -13.300 23.909 1.00 73.20 C ATOM 0 H LEU A 72 11.664 -10.622 22.339 1.00 63.21 H new ATOM 0 HA LEU A 72 10.875 -10.577 25.093 1.00 11.44 H new ATOM 0 HB2 LEU A 72 12.016 -12.859 23.450 1.00 2.24 H new ATOM 0 HB3 LEU A 72 11.059 -12.989 24.912 1.00 2.24 H new ATOM 0 HG LEU A 72 9.545 -11.509 22.977 1.00 41.11 H new ATOM 0 HD11 LEU A 72 9.313 -13.236 21.235 1.00 11.24 H new ATOM 0 HD12 LEU A 72 10.959 -12.562 21.281 1.00 11.24 H new ATOM 0 HD13 LEU A 72 10.634 -14.164 21.985 1.00 11.24 H new ATOM 0 HD21 LEU A 72 7.960 -13.370 23.295 1.00 73.20 H new ATOM 0 HD22 LEU A 72 9.229 -14.302 24.125 1.00 73.20 H new ATOM 0 HD23 LEU A 72 8.619 -12.792 24.844 1.00 73.20 H new ATOM 1157 N GLU A 73 14.035 -11.111 24.329 1.00 22.03 N ATOM 1158 CA GLU A 73 15.384 -11.153 24.882 1.00 33.13 C ATOM 1159 C GLU A 73 15.617 -9.985 25.836 1.00 24.00 C ATOM 1160 O GLU A 73 16.371 -10.100 26.803 1.00 44.41 O ATOM 1161 CB GLU A 73 16.421 -11.123 23.758 1.00 61.11 C ATOM 1162 CG GLU A 73 17.830 -11.454 24.221 1.00 60.23 C ATOM 1163 CD GLU A 73 18.654 -12.132 23.143 1.00 50.30 C ATOM 1164 OE1 GLU A 73 18.712 -11.596 22.016 1.00 13.34 O ATOM 1165 OE2 GLU A 73 19.240 -13.197 23.426 1.00 64.24 O ATOM 0 H GLU A 73 13.995 -11.155 23.311 1.00 22.03 H new ATOM 0 HA GLU A 73 15.492 -12.083 25.440 1.00 33.13 H new ATOM 0 HB2 GLU A 73 16.126 -11.832 22.984 1.00 61.11 H new ATOM 0 HB3 GLU A 73 16.421 -10.133 23.301 1.00 61.11 H new ATOM 0 HG2 GLU A 73 18.331 -10.537 24.533 1.00 60.23 H new ATOM 0 HG3 GLU A 73 17.778 -12.103 25.095 1.00 60.23 H new ATOM 1172 N HIS A 74 14.966 -8.861 25.556 1.00 14.23 N ATOM 1173 CA HIS A 74 15.102 -7.671 26.389 1.00 53.23 C ATOM 1174 C HIS A 74 16.550 -7.192 26.419 1.00 10.12 C ATOM 1175 O HIS A 74 16.837 -6.033 26.116 1.00 60.43 O ATOM 1176 CB HIS A 74 14.618 -7.959 27.810 1.00 15.21 C ATOM 1177 CG HIS A 74 14.113 -6.745 28.528 1.00 35.32 C ATOM 1178 ND1 HIS A 74 12.986 -6.054 28.137 1.00 53.32 N ATOM 1179 CD2 HIS A 74 14.587 -6.102 29.620 1.00 12.44 C ATOM 1180 CE1 HIS A 74 12.790 -5.036 28.956 1.00 34.11 C ATOM 1181 NE2 HIS A 74 13.747 -5.043 29.866 1.00 62.03 N ATOM 0 H HIS A 74 14.339 -8.749 24.759 1.00 14.23 H new ATOM 0 HA HIS A 74 14.486 -6.883 25.957 1.00 53.23 H new ATOM 0 HB2 HIS A 74 13.824 -8.704 27.770 1.00 15.21 H new ATOM 0 HB3 HIS A 74 15.436 -8.395 28.382 1.00 15.21 H new ATOM 0 HD2 HIS A 74 15.463 -6.371 30.192 1.00 12.44 H new ATOM 0 HE1 HIS A 74 11.984 -4.320 28.892 1.00 34.11 H new ATOM 0 HE2 HIS A 74 13.846 -4.372 30.627 1.00 62.03 H new TER 1189 HIS A 74